USER MOD reduce.3.24.130724 H: found=0, std=0, add=1576, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 ASN : amide:sc=-0.00355 X(o=-0.0059,f=-0.0023) USER MOD Set 1.2: B 91 ASN : amide:sc=-0.00235 X(o=-0.0059,f=-0.0035) USER MOD Set 2.1: B 43 CYS SG : rot 23:sc= 0.874 USER MOD Set 2.2: B 52 SER OG : rot 180:sc= 1.74 USER MOD Set 3.1: A 37 ASN : amide:sc= -0.198 K(o=0.025,f=-5.1!) USER MOD Set 3.2: B 19 ASN : amide:sc= 0.223 K(o=0.025,f=-11!) USER MOD Set 4.1: B 16 THR OG1 : rot -0:sc= -1.06 USER MOD Set 4.2: B 53 HIS : no HE2:sc= -1.64 K(o=-2.7,f=-1.8!) USER MOD Set 5.1: B 10 ASN : amide:sc= -3.4! C(o=-3.5!,f=-8.2!) USER MOD Set 5.2: B 85 SER OG : rot 130:sc= -0.082 USER MOD Set 6.1: B 2 SER OG : rot 91:sc= 0.362 USER MOD Set 6.2: B 6 THR OG1 : rot 67:sc= 0.352 USER MOD Set 7.1: A 81 GLN : amide:sc= -0.455 X(o=-0.54,f=-0.086) USER MOD Set 7.2: A 83 ASN : amide:sc= -0.0864 X(o=-0.54,f=-0.95) USER MOD Set 8.1: A 43 CYS SG : rot 23:sc= 0.828 USER MOD Set 8.2: A 52 SER OG : rot -178:sc= 1.64 USER MOD Set 9.1: A 28 CYS SG : rot 80:sc= -2.37! USER MOD Set 9.2: B 25 THR OG1 : rot -20:sc= 1.03 USER MOD Set10.1: A 25 THR OG1 : rot -16:sc= 0.901 USER MOD Set10.2: B 28 CYS SG : rot 86:sc= -2.7! USER MOD Set11.1: A 19 ASN : amide:sc= 0.0721 K(o=0.015,f=-12!) USER MOD Set11.2: B 37 ASN : amide:sc= -0.0576 K(o=0.015,f=-5.5!) USER MOD Set12.1: A 16 THR OG1 : rot -3:sc= -0.972 USER MOD Set12.2: A 53 HIS : no HE2:sc= -1.39 K(o=-2.4,f=-1.5) USER MOD Set13.1: A 10 ASN : amide:sc= -3.4! C(o=-3.4!,f=-7.7!) USER MOD Set13.2: A 85 SER OG : rot 130:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 152:sc= 0.119 (180deg=-0.105) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0857 X(o=-0.086,f=-0.36) USER MOD Single : A 5 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.35) USER MOD Single : A 6 THR OG1 : rot 72:sc= 0.344 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc=-0.00816 X(o=-0.0082,f=-0.38) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 24 MET CE :methyl -144:sc= 0 (180deg=-0.714) USER MOD Single : A 26 HIS : no HE2:sc= -1.65 K(o=-1.7,f=-3.6!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 49 SER OG : rot 87:sc= 0.491 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -3.96! C(o=-4!,f=-6.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.59) USER MOD Single : A 67 MET CE :methyl -161:sc= 0 (180deg=-0.508) USER MOD Single : A 69 SER OG : rot 72:sc= 0.579 USER MOD Single : A 70 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.35) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.03) USER MOD Single : A 84 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.24) USER MOD Single : A 88 THR OG1 : rot -45:sc= 0.946 USER MOD Single : A 89 MET CE :methyl 149:sc= -1.45 (180deg=-2.33!) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0864) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 1 GLY N :NH3+ -145:sc= 0.593 (180deg=-0.00187) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= -0.0388 X(o=-0.039,f=-0.36) USER MOD Single : B 5 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.083) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 HIS : no HD1:sc= -0.721 X(o=-0.72,f=-0.32) USER MOD Single : B 20 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.38) USER MOD Single : B 24 MET CE :methyl -142:sc= 0 (180deg=-0.509) USER MOD Single : B 26 HIS : no HE2:sc= -2.02! C(o=-2!,f=-4.1!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 49 SER OG : rot 87:sc= 0.648 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN : amide:sc= -3.85 K(o=-3.9,f=-6!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.44) USER MOD Single : B 67 MET CE :methyl -162:sc= 0 (180deg=-0.441) USER MOD Single : B 69 SER OG : rot 72:sc= 0.684 USER MOD Single : B 70 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.27) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0531) USER MOD Single : B 81 GLN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : B 83 ASN : amide:sc= -0.0874 K(o=-0.087,f=-0.65) USER MOD Single : B 84 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.24) USER MOD Single : B 88 THR OG1 : rot -44:sc= 0.953 USER MOD Single : B 89 MET CE :methyl 153:sc= -1.45 (180deg=-2.35!) USER MOD Single : B 92 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.094) USER MOD Single : B 98 GLN : amide:sc= 0.0208 X(o=0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.122 4.269 -18.644 1.00 24.22 N ATOM 2 CA GLY A 1 8.656 4.436 -18.710 1.00 24.15 C ATOM 3 C GLY A 1 7.963 3.203 -19.270 1.00 70.35 C ATOM 4 O GLY A 1 7.645 3.146 -20.461 1.00 4.44 O ATOM 0 H1 GLY A 1 10.581 5.199 -18.726 1.00 24.22 H new ATOM 0 H2 GLY A 1 10.381 3.833 -17.736 1.00 24.22 H new ATOM 0 H3 GLY A 1 10.437 3.658 -19.424 1.00 24.22 H new ATOM 0 HA2 GLY A 1 8.270 4.646 -17.712 1.00 24.15 H new ATOM 0 HA3 GLY A 1 8.418 5.299 -19.332 1.00 24.15 H new ATOM 10 N SER A 2 7.751 2.198 -18.409 1.00 64.11 N ATOM 11 CA SER A 2 7.089 0.935 -18.766 1.00 1.11 C ATOM 12 C SER A 2 5.741 0.848 -18.046 1.00 32.12 C ATOM 13 O SER A 2 5.661 1.095 -16.833 1.00 63.14 O ATOM 14 CB SER A 2 7.998 -0.258 -18.385 1.00 63.40 C ATOM 15 OG SER A 2 9.232 -0.196 -19.091 1.00 41.14 O ATOM 0 H SER A 2 8.038 2.240 -17.431 1.00 64.11 H new ATOM 0 HA SER A 2 6.913 0.900 -19.841 1.00 1.11 H new ATOM 0 HB2 SER A 2 8.187 -0.249 -17.311 1.00 63.40 H new ATOM 0 HB3 SER A 2 7.490 -1.195 -18.612 1.00 63.40 H new ATOM 0 HG SER A 2 9.794 -0.957 -18.836 1.00 41.14 H new ATOM 21 N MET A 3 4.683 0.527 -18.810 1.00 70.54 N ATOM 22 CA MET A 3 3.324 0.357 -18.274 1.00 44.12 C ATOM 23 C MET A 3 3.180 -1.032 -17.613 1.00 15.44 C ATOM 24 O MET A 3 2.417 -1.203 -16.656 1.00 51.41 O ATOM 25 CB MET A 3 2.260 0.552 -19.394 1.00 73.53 C ATOM 26 CG MET A 3 0.804 0.508 -18.901 1.00 65.20 C ATOM 27 SD MET A 3 -0.394 0.751 -20.228 1.00 61.10 S ATOM 28 CE MET A 3 -1.938 0.642 -19.319 1.00 44.05 C ATOM 0 H MET A 3 4.747 0.378 -19.817 1.00 70.54 H new ATOM 0 HA MET A 3 3.153 1.120 -17.514 1.00 44.12 H new ATOM 0 HB2 MET A 3 2.436 1.510 -19.883 1.00 73.53 H new ATOM 0 HB3 MET A 3 2.399 -0.222 -20.149 1.00 73.53 H new ATOM 0 HG2 MET A 3 0.617 -0.453 -18.421 1.00 65.20 H new ATOM 0 HG3 MET A 3 0.659 1.277 -18.142 1.00 65.20 H new ATOM 0 HE1 MET A 3 -2.774 0.773 -20.006 1.00 44.05 H new ATOM 0 HE2 MET A 3 -2.011 -0.335 -18.841 1.00 44.05 H new ATOM 0 HE3 MET A 3 -1.968 1.422 -18.558 1.00 44.05 H new ATOM 38 N GLN A 4 3.926 -2.020 -18.132 1.00 45.03 N ATOM 39 CA GLN A 4 3.929 -3.393 -17.590 1.00 22.14 C ATOM 40 C GLN A 4 4.914 -3.531 -16.416 1.00 50.44 C ATOM 41 O GLN A 4 5.777 -2.666 -16.209 1.00 5.44 O ATOM 42 CB GLN A 4 4.269 -4.414 -18.712 1.00 52.12 C ATOM 43 CG GLN A 4 3.218 -4.476 -19.845 1.00 42.25 C ATOM 44 CD GLN A 4 1.793 -4.781 -19.352 1.00 64.51 C ATOM 45 OE1 GLN A 4 1.589 -5.479 -18.357 1.00 55.42 O ATOM 46 NE2 GLN A 4 0.793 -4.262 -20.048 1.00 22.52 N ATOM 0 H GLN A 4 4.542 -1.893 -18.935 1.00 45.03 H new ATOM 0 HA GLN A 4 2.930 -3.607 -17.210 1.00 22.14 H new ATOM 0 HB2 GLN A 4 5.237 -4.157 -19.142 1.00 52.12 H new ATOM 0 HB3 GLN A 4 4.370 -5.405 -18.269 1.00 52.12 H new ATOM 0 HG2 GLN A 4 3.213 -3.524 -20.376 1.00 42.25 H new ATOM 0 HG3 GLN A 4 3.516 -5.240 -20.563 1.00 42.25 H new ATOM 0 HE21 GLN A 4 0.987 -3.687 -20.868 1.00 22.52 H new ATOM 0 HE22 GLN A 4 -0.171 -4.437 -19.764 1.00 22.52 H new ATOM 55 N ASN A 5 4.758 -4.638 -15.663 1.00 25.41 N ATOM 56 CA ASN A 5 5.620 -4.989 -14.519 1.00 30.55 C ATOM 57 C ASN A 5 7.070 -5.232 -15.000 1.00 1.40 C ATOM 58 O ASN A 5 7.353 -6.185 -15.739 1.00 41.22 O ATOM 59 CB ASN A 5 5.039 -6.225 -13.762 1.00 44.14 C ATOM 60 CG ASN A 5 4.789 -7.445 -14.664 1.00 34.43 C ATOM 61 OD1 ASN A 5 3.719 -7.586 -15.261 1.00 4.25 O ATOM 62 ND2 ASN A 5 5.776 -8.325 -14.785 1.00 53.43 N ATOM 0 H ASN A 5 4.020 -5.321 -15.835 1.00 25.41 H new ATOM 0 HA ASN A 5 5.642 -4.157 -13.815 1.00 30.55 H new ATOM 0 HB2 ASN A 5 5.728 -6.508 -12.966 1.00 44.14 H new ATOM 0 HB3 ASN A 5 4.101 -5.939 -13.285 1.00 44.14 H new ATOM 0 HD21 ASN A 5 5.660 -9.143 -15.384 1.00 53.43 H new ATOM 0 HD22 ASN A 5 6.650 -8.183 -14.279 1.00 53.43 H new ATOM 69 N THR A 6 7.972 -4.325 -14.609 1.00 35.23 N ATOM 70 CA THR A 6 9.364 -4.306 -15.078 1.00 54.01 C ATOM 71 C THR A 6 10.290 -3.963 -13.900 1.00 71.14 C ATOM 72 O THR A 6 10.407 -2.790 -13.543 1.00 5.34 O ATOM 73 CB THR A 6 9.531 -3.250 -16.225 1.00 64.32 C ATOM 74 OG1 THR A 6 8.541 -3.476 -17.244 1.00 62.52 O ATOM 75 CG2 THR A 6 10.923 -3.304 -16.872 1.00 73.03 C ATOM 0 H THR A 6 7.755 -3.576 -13.952 1.00 35.23 H new ATOM 0 HA THR A 6 9.629 -5.287 -15.471 1.00 54.01 H new ATOM 0 HB THR A 6 9.404 -2.266 -15.773 1.00 64.32 H new ATOM 0 HG1 THR A 6 7.661 -3.201 -16.912 1.00 62.52 H new ATOM 0 HG21 THR A 6 10.987 -2.554 -17.660 1.00 73.03 H new ATOM 0 HG22 THR A 6 11.683 -3.104 -16.117 1.00 73.03 H new ATOM 0 HG23 THR A 6 11.088 -4.293 -17.299 1.00 73.03 H new ATOM 83 N THR A 7 10.938 -4.997 -13.307 1.00 53.41 N ATOM 84 CA THR A 7 11.751 -4.862 -12.078 1.00 34.15 C ATOM 85 C THR A 7 13.158 -4.262 -12.374 1.00 34.35 C ATOM 86 O THR A 7 14.181 -4.958 -12.323 1.00 34.31 O ATOM 87 CB THR A 7 11.853 -6.244 -11.333 1.00 61.22 C ATOM 88 OG1 THR A 7 10.538 -6.811 -11.212 1.00 4.33 O ATOM 89 CG2 THR A 7 12.475 -6.114 -9.921 1.00 41.32 C ATOM 0 H THR A 7 10.909 -5.949 -13.671 1.00 53.41 H new ATOM 0 HA THR A 7 11.246 -4.157 -11.418 1.00 34.15 H new ATOM 0 HB THR A 7 12.507 -6.886 -11.924 1.00 61.22 H new ATOM 0 HG1 THR A 7 10.595 -7.673 -10.750 1.00 4.33 H new ATOM 0 HG21 THR A 7 12.522 -7.097 -9.452 1.00 41.32 H new ATOM 0 HG22 THR A 7 13.481 -5.703 -10.003 1.00 41.32 H new ATOM 0 HG23 THR A 7 11.861 -5.450 -9.312 1.00 41.32 H new ATOM 97 N HIS A 8 13.151 -2.964 -12.745 1.00 1.40 N ATOM 98 CA HIS A 8 14.349 -2.116 -12.954 1.00 43.11 C ATOM 99 C HIS A 8 13.894 -0.720 -13.413 1.00 74.23 C ATOM 100 O HIS A 8 14.490 0.289 -13.041 1.00 10.40 O ATOM 101 CB HIS A 8 15.390 -2.709 -13.963 1.00 71.23 C ATOM 102 CG HIS A 8 14.943 -2.824 -15.403 1.00 51.21 C ATOM 103 ND1 HIS A 8 14.973 -1.761 -16.286 1.00 13.15 N ATOM 104 CD2 HIS A 8 14.494 -3.882 -16.123 1.00 62.01 C ATOM 105 CE1 HIS A 8 14.566 -2.158 -17.471 1.00 41.24 C ATOM 106 NE2 HIS A 8 14.272 -3.438 -17.403 1.00 50.23 N ATOM 0 H HIS A 8 12.282 -2.458 -12.914 1.00 1.40 H new ATOM 0 HA HIS A 8 14.872 -2.065 -11.999 1.00 43.11 H new ATOM 0 HB2 HIS A 8 16.286 -2.089 -13.932 1.00 71.23 H new ATOM 0 HB3 HIS A 8 15.676 -3.701 -13.614 1.00 71.23 H new ATOM 0 HD2 HIS A 8 14.340 -4.887 -15.758 1.00 62.01 H new ATOM 0 HE1 HIS A 8 14.486 -1.538 -18.352 1.00 41.24 H new ATOM 0 HE2 HIS A 8 13.933 -4.009 -18.177 1.00 50.23 H new ATOM 115 N ASP A 9 12.823 -0.697 -14.243 1.00 35.22 N ATOM 116 CA ASP A 9 12.220 0.547 -14.775 1.00 72.15 C ATOM 117 C ASP A 9 11.322 1.186 -13.710 1.00 1.31 C ATOM 118 O ASP A 9 11.164 2.417 -13.664 1.00 22.51 O ATOM 119 CB ASP A 9 11.428 0.246 -16.069 1.00 13.34 C ATOM 120 CG ASP A 9 11.043 1.520 -16.832 1.00 54.11 C ATOM 121 OD1 ASP A 9 11.846 1.998 -17.665 1.00 62.31 O ATOM 122 OD2 ASP A 9 9.953 2.065 -16.595 1.00 4.32 O ATOM 0 H ASP A 9 12.353 -1.544 -14.563 1.00 35.22 H new ATOM 0 HA ASP A 9 13.011 1.254 -15.024 1.00 72.15 H new ATOM 0 HB2 ASP A 9 12.026 -0.395 -16.717 1.00 13.34 H new ATOM 0 HB3 ASP A 9 10.525 -0.310 -15.817 1.00 13.34 H new ATOM 127 N ASN A 10 10.756 0.328 -12.844 1.00 30.31 N ATOM 128 CA ASN A 10 10.091 0.771 -11.622 1.00 43.10 C ATOM 129 C ASN A 10 11.168 1.146 -10.581 1.00 61.43 C ATOM 130 O ASN A 10 12.304 0.643 -10.621 1.00 12.44 O ATOM 131 CB ASN A 10 9.149 -0.339 -11.067 1.00 34.32 C ATOM 132 CG ASN A 10 9.878 -1.608 -10.601 1.00 55.12 C ATOM 133 OD1 ASN A 10 10.977 -1.919 -11.050 1.00 22.42 O ATOM 134 ND2 ASN A 10 9.261 -2.376 -9.730 1.00 21.43 N ATOM 0 H ASN A 10 10.750 -0.683 -12.976 1.00 30.31 H new ATOM 0 HA ASN A 10 9.473 1.642 -11.840 1.00 43.10 H new ATOM 0 HB2 ASN A 10 8.580 0.068 -10.231 1.00 34.32 H new ATOM 0 HB3 ASN A 10 8.430 -0.610 -11.840 1.00 34.32 H new ATOM 0 HD21 ASN A 10 9.696 -3.244 -9.418 1.00 21.43 H new ATOM 0 HD22 ASN A 10 8.348 -2.103 -9.366 1.00 21.43 H new ATOM 141 N VAL A 11 10.807 2.037 -9.666 1.00 52.32 N ATOM 142 CA VAL A 11 11.704 2.546 -8.623 1.00 41.23 C ATOM 143 C VAL A 11 11.046 2.311 -7.274 1.00 33.13 C ATOM 144 O VAL A 11 9.817 2.384 -7.161 1.00 41.51 O ATOM 145 CB VAL A 11 12.049 4.077 -8.803 1.00 22.42 C ATOM 146 CG1 VAL A 11 12.860 4.306 -10.101 1.00 4.11 C ATOM 147 CG2 VAL A 11 10.777 4.969 -8.767 1.00 12.41 C ATOM 0 H VAL A 11 9.869 2.436 -9.623 1.00 52.32 H new ATOM 0 HA VAL A 11 12.651 2.010 -8.695 1.00 41.23 H new ATOM 0 HB VAL A 11 12.668 4.375 -7.957 1.00 22.42 H new ATOM 0 HG11 VAL A 11 13.087 5.367 -10.206 1.00 4.11 H new ATOM 0 HG12 VAL A 11 13.790 3.739 -10.054 1.00 4.11 H new ATOM 0 HG13 VAL A 11 12.275 3.974 -10.959 1.00 4.11 H new ATOM 0 HG21 VAL A 11 11.061 6.014 -8.894 1.00 12.41 H new ATOM 0 HG22 VAL A 11 10.104 4.675 -9.572 1.00 12.41 H new ATOM 0 HG23 VAL A 11 10.272 4.845 -7.809 1.00 12.41 H new ATOM 157 N ILE A 12 11.875 2.010 -6.277 1.00 62.34 N ATOM 158 CA ILE A 12 11.448 1.739 -4.915 1.00 11.25 C ATOM 159 C ILE A 12 11.431 3.077 -4.146 1.00 71.11 C ATOM 160 O ILE A 12 12.477 3.548 -3.686 1.00 41.03 O ATOM 161 CB ILE A 12 12.447 0.727 -4.231 1.00 71.21 C ATOM 162 CG1 ILE A 12 12.714 -0.527 -5.106 1.00 43.21 C ATOM 163 CG2 ILE A 12 11.946 0.286 -2.865 1.00 65.21 C ATOM 164 CD1 ILE A 12 11.569 -1.516 -5.223 1.00 72.00 C ATOM 0 H ILE A 12 12.885 1.947 -6.401 1.00 62.34 H new ATOM 0 HA ILE A 12 10.454 1.292 -4.909 1.00 11.25 H new ATOM 0 HB ILE A 12 13.385 1.269 -4.114 1.00 71.21 H new ATOM 0 HG12 ILE A 12 12.984 -0.195 -6.108 1.00 43.21 H new ATOM 0 HG13 ILE A 12 13.579 -1.051 -4.700 1.00 43.21 H new ATOM 0 HG21 ILE A 12 12.659 -0.410 -2.423 1.00 65.21 H new ATOM 0 HG22 ILE A 12 11.841 1.157 -2.218 1.00 65.21 H new ATOM 0 HG23 ILE A 12 10.979 -0.205 -2.973 1.00 65.21 H new ATOM 0 HD11 ILE A 12 11.871 -2.349 -5.857 1.00 72.00 H new ATOM 0 HD12 ILE A 12 11.308 -1.890 -4.233 1.00 72.00 H new ATOM 0 HD13 ILE A 12 10.704 -1.020 -5.663 1.00 72.00 H new ATOM 176 N LEU A 13 10.255 3.714 -4.052 1.00 11.41 N ATOM 177 CA LEU A 13 10.126 5.016 -3.380 1.00 12.32 C ATOM 178 C LEU A 13 9.913 4.794 -1.887 1.00 1.21 C ATOM 179 O LEU A 13 8.801 4.523 -1.448 1.00 70.54 O ATOM 180 CB LEU A 13 8.964 5.863 -3.987 1.00 55.21 C ATOM 181 CG LEU A 13 9.173 6.336 -5.458 1.00 44.13 C ATOM 182 CD1 LEU A 13 7.995 7.209 -5.942 1.00 23.50 C ATOM 183 CD2 LEU A 13 10.523 7.076 -5.616 1.00 70.11 C ATOM 0 H LEU A 13 9.381 3.350 -4.432 1.00 11.41 H new ATOM 0 HA LEU A 13 11.046 5.580 -3.534 1.00 12.32 H new ATOM 0 HB2 LEU A 13 8.047 5.276 -3.940 1.00 55.21 H new ATOM 0 HB3 LEU A 13 8.812 6.741 -3.360 1.00 55.21 H new ATOM 0 HG LEU A 13 9.203 5.449 -6.091 1.00 44.13 H new ATOM 0 HD11 LEU A 13 8.173 7.522 -6.971 1.00 23.50 H new ATOM 0 HD12 LEU A 13 7.071 6.633 -5.892 1.00 23.50 H new ATOM 0 HD13 LEU A 13 7.909 8.089 -5.305 1.00 23.50 H new ATOM 0 HD21 LEU A 13 10.644 7.395 -6.651 1.00 70.11 H new ATOM 0 HD22 LEU A 13 10.538 7.949 -4.963 1.00 70.11 H new ATOM 0 HD23 LEU A 13 11.339 6.406 -5.345 1.00 70.11 H new ATOM 195 N GLU A 14 11.011 4.902 -1.122 1.00 10.25 N ATOM 196 CA GLU A 14 11.006 4.697 0.327 1.00 15.01 C ATOM 197 C GLU A 14 10.640 6.019 0.980 1.00 2.50 C ATOM 198 O GLU A 14 11.482 6.885 1.167 1.00 13.10 O ATOM 199 CB GLU A 14 12.415 4.198 0.805 1.00 71.11 C ATOM 200 CG GLU A 14 12.537 3.726 2.290 1.00 31.11 C ATOM 201 CD GLU A 14 12.441 4.838 3.358 1.00 13.11 C ATOM 202 OE1 GLU A 14 13.438 5.561 3.566 1.00 64.24 O ATOM 203 OE2 GLU A 14 11.362 5.002 3.972 1.00 72.13 O ATOM 0 H GLU A 14 11.930 5.135 -1.498 1.00 10.25 H new ATOM 0 HA GLU A 14 10.279 3.935 0.608 1.00 15.01 H new ATOM 0 HB2 GLU A 14 12.717 3.372 0.162 1.00 71.11 H new ATOM 0 HB3 GLU A 14 13.131 5.004 0.646 1.00 71.11 H new ATOM 0 HG2 GLU A 14 11.754 2.993 2.484 1.00 31.11 H new ATOM 0 HG3 GLU A 14 13.491 3.213 2.411 1.00 31.11 H new ATOM 210 N LEU A 15 9.367 6.184 1.288 1.00 31.21 N ATOM 211 CA LEU A 15 8.891 7.346 2.032 1.00 73.20 C ATOM 212 C LEU A 15 8.413 6.885 3.416 1.00 31.54 C ATOM 213 O LEU A 15 7.521 6.040 3.538 1.00 11.10 O ATOM 214 CB LEU A 15 7.824 8.127 1.198 1.00 14.11 C ATOM 215 CG LEU A 15 6.852 7.284 0.298 1.00 54.04 C ATOM 216 CD1 LEU A 15 5.639 6.757 1.075 1.00 45.25 C ATOM 217 CD2 LEU A 15 6.416 8.080 -0.940 1.00 51.01 C ATOM 0 H LEU A 15 8.633 5.523 1.033 1.00 31.21 H new ATOM 0 HA LEU A 15 9.694 8.063 2.202 1.00 73.20 H new ATOM 0 HB2 LEU A 15 7.219 8.713 1.890 1.00 14.11 H new ATOM 0 HB3 LEU A 15 8.350 8.834 0.556 1.00 14.11 H new ATOM 0 HG LEU A 15 7.411 6.411 -0.037 1.00 54.04 H new ATOM 0 HD11 LEU A 15 5.000 6.181 0.405 1.00 45.25 H new ATOM 0 HD12 LEU A 15 5.979 6.118 1.890 1.00 45.25 H new ATOM 0 HD13 LEU A 15 5.075 7.596 1.482 1.00 45.25 H new ATOM 0 HD21 LEU A 15 5.744 7.472 -1.545 1.00 51.01 H new ATOM 0 HD22 LEU A 15 5.901 8.988 -0.626 1.00 51.01 H new ATOM 0 HD23 LEU A 15 7.294 8.346 -1.529 1.00 51.01 H new ATOM 229 N THR A 16 9.056 7.427 4.461 1.00 3.33 N ATOM 230 CA THR A 16 8.703 7.140 5.844 1.00 33.24 C ATOM 231 C THR A 16 7.573 8.082 6.224 1.00 41.30 C ATOM 232 O THR A 16 7.768 9.287 6.225 1.00 44.03 O ATOM 233 CB THR A 16 9.899 7.394 6.821 1.00 24.53 C ATOM 234 OG1 THR A 16 11.098 6.783 6.317 1.00 11.34 O ATOM 235 CG2 THR A 16 9.600 6.865 8.236 1.00 22.24 C ATOM 0 H THR A 16 9.836 8.077 4.362 1.00 3.33 H new ATOM 0 HA THR A 16 8.421 6.090 5.925 1.00 33.24 H new ATOM 0 HB THR A 16 10.043 8.473 6.886 1.00 24.53 H new ATOM 0 HG1 THR A 16 10.895 6.295 5.492 1.00 11.34 H new ATOM 0 HG21 THR A 16 10.454 7.060 8.885 1.00 22.24 H new ATOM 0 HG22 THR A 16 8.719 7.369 8.634 1.00 22.24 H new ATOM 0 HG23 THR A 16 9.415 5.792 8.192 1.00 22.24 H new ATOM 243 N VAL A 17 6.383 7.538 6.462 1.00 61.04 N ATOM 244 CA VAL A 17 5.234 8.319 6.932 1.00 44.04 C ATOM 245 C VAL A 17 4.811 7.783 8.304 1.00 34.41 C ATOM 246 O VAL A 17 4.986 6.597 8.601 1.00 54.21 O ATOM 247 CB VAL A 17 4.021 8.292 5.905 1.00 41.10 C ATOM 248 CG1 VAL A 17 4.533 8.301 4.446 1.00 51.40 C ATOM 249 CG2 VAL A 17 3.030 7.121 6.145 1.00 1.01 C ATOM 0 H VAL A 17 6.184 6.546 6.336 1.00 61.04 H new ATOM 0 HA VAL A 17 5.531 9.364 7.015 1.00 44.04 H new ATOM 0 HB VAL A 17 3.452 9.204 6.083 1.00 41.10 H new ATOM 0 HG11 VAL A 17 3.684 8.282 3.762 1.00 51.40 H new ATOM 0 HG12 VAL A 17 5.119 9.203 4.272 1.00 51.40 H new ATOM 0 HG13 VAL A 17 5.157 7.424 4.274 1.00 51.40 H new ATOM 0 HG21 VAL A 17 2.228 7.166 5.408 1.00 1.01 H new ATOM 0 HG22 VAL A 17 3.558 6.172 6.050 1.00 1.01 H new ATOM 0 HG23 VAL A 17 2.607 7.202 7.146 1.00 1.01 H new ATOM 259 N ARG A 18 4.286 8.665 9.143 1.00 23.53 N ATOM 260 CA ARG A 18 3.730 8.296 10.450 1.00 72.40 C ATOM 261 C ARG A 18 2.208 8.170 10.334 1.00 31.30 C ATOM 262 O ARG A 18 1.575 8.942 9.601 1.00 41.32 O ATOM 263 CB ARG A 18 4.169 9.321 11.522 1.00 1.23 C ATOM 264 CG ARG A 18 3.883 10.800 11.201 1.00 22.24 C ATOM 265 CD ARG A 18 4.521 11.735 12.242 1.00 22.13 C ATOM 266 NE ARG A 18 4.041 11.463 13.614 1.00 70.33 N ATOM 267 CZ ARG A 18 4.484 12.082 14.722 1.00 44.32 C ATOM 268 NH1 ARG A 18 5.423 13.026 14.652 1.00 11.11 N ATOM 269 NH2 ARG A 18 4.004 11.723 15.906 1.00 3.34 N ATOM 0 H ARG A 18 4.231 9.663 8.941 1.00 23.53 H new ATOM 0 HA ARG A 18 4.115 7.327 10.768 1.00 72.40 H new ATOM 0 HB2 ARG A 18 3.673 9.071 12.460 1.00 1.23 H new ATOM 0 HB3 ARG A 18 5.240 9.207 11.688 1.00 1.23 H new ATOM 0 HG2 ARG A 18 4.269 11.040 10.210 1.00 22.24 H new ATOM 0 HG3 ARG A 18 2.806 10.966 11.173 1.00 22.24 H new ATOM 0 HD2 ARG A 18 5.605 11.623 12.211 1.00 22.13 H new ATOM 0 HD3 ARG A 18 4.299 12.770 11.981 1.00 22.13 H new ATOM 0 HE ARG A 18 3.319 10.752 13.728 1.00 70.33 H new ATOM 0 HH11 ARG A 18 5.816 13.288 13.748 1.00 11.11 H new ATOM 0 HH12 ARG A 18 5.748 13.486 15.502 1.00 11.11 H new ATOM 0 HH21 ARG A 18 3.305 10.983 15.970 1.00 3.34 H new ATOM 0 HH22 ARG A 18 4.334 12.187 16.752 1.00 3.34 H new ATOM 283 N ASN A 19 1.640 7.184 11.062 1.00 70.43 N ATOM 284 CA ASN A 19 0.247 6.732 10.899 1.00 23.31 C ATOM 285 C ASN A 19 -0.747 7.821 11.375 1.00 54.12 C ATOM 286 O ASN A 19 -1.123 7.887 12.552 1.00 32.21 O ATOM 287 CB ASN A 19 0.046 5.365 11.635 1.00 31.12 C ATOM 288 CG ASN A 19 -1.301 4.666 11.344 1.00 3.23 C ATOM 289 OD1 ASN A 19 -2.341 5.300 11.206 1.00 30.21 O ATOM 290 ND2 ASN A 19 -1.286 3.342 11.230 1.00 71.02 N ATOM 0 H ASN A 19 2.145 6.675 11.788 1.00 70.43 H new ATOM 0 HA ASN A 19 0.038 6.570 9.842 1.00 23.31 H new ATOM 0 HB2 ASN A 19 0.857 4.693 11.352 1.00 31.12 H new ATOM 0 HB3 ASN A 19 0.129 5.531 12.709 1.00 31.12 H new ATOM 0 HD21 ASN A 19 -2.149 2.838 11.025 1.00 71.02 H new ATOM 0 HD22 ASN A 19 -0.412 2.830 11.348 1.00 71.02 H new ATOM 297 N HIS A 20 -1.056 8.728 10.442 1.00 71.22 N ATOM 298 CA HIS A 20 -2.095 9.775 10.576 1.00 72.10 C ATOM 299 C HIS A 20 -3.276 9.427 9.617 1.00 62.12 C ATOM 300 O HIS A 20 -3.101 8.558 8.749 1.00 10.11 O ATOM 301 CB HIS A 20 -1.486 11.175 10.231 1.00 13.25 C ATOM 302 CG HIS A 20 -0.435 11.714 11.163 1.00 31.10 C ATOM 303 ND1 HIS A 20 0.212 12.909 10.929 1.00 35.33 N ATOM 304 CD2 HIS A 20 0.054 11.256 12.339 1.00 32.40 C ATOM 305 CE1 HIS A 20 1.044 13.158 11.915 1.00 71.42 C ATOM 306 NE2 HIS A 20 0.968 12.172 12.782 1.00 21.10 N ATOM 0 H HIS A 20 -0.579 8.761 9.541 1.00 71.22 H new ATOM 0 HA HIS A 20 -2.465 9.814 11.601 1.00 72.10 H new ATOM 0 HB2 HIS A 20 -1.055 11.119 9.231 1.00 13.25 H new ATOM 0 HB3 HIS A 20 -2.301 11.897 10.187 1.00 13.25 H new ATOM 0 HD2 HIS A 20 -0.225 10.338 12.835 1.00 32.40 H new ATOM 0 HE1 HIS A 20 1.682 14.025 11.999 1.00 71.42 H new ATOM 0 HE2 HIS A 20 1.505 12.102 13.646 1.00 21.10 H new ATOM 315 N PRO A 21 -4.505 10.058 9.774 1.00 3.35 N ATOM 316 CA PRO A 21 -5.704 9.783 8.913 1.00 13.44 C ATOM 317 C PRO A 21 -5.426 9.732 7.378 1.00 23.42 C ATOM 318 O PRO A 21 -5.201 10.766 6.735 1.00 20.24 O ATOM 319 CB PRO A 21 -6.694 10.944 9.278 1.00 42.00 C ATOM 320 CG PRO A 21 -5.903 11.895 10.133 1.00 43.13 C ATOM 321 CD PRO A 21 -4.863 11.048 10.831 1.00 42.43 C ATOM 0 HA PRO A 21 -6.092 8.784 9.112 1.00 13.44 H new ATOM 0 HB2 PRO A 21 -7.065 11.439 8.381 1.00 42.00 H new ATOM 0 HB3 PRO A 21 -7.563 10.564 9.815 1.00 42.00 H new ATOM 0 HG2 PRO A 21 -5.434 12.670 9.526 1.00 43.13 H new ATOM 0 HG3 PRO A 21 -6.545 12.400 10.854 1.00 43.13 H new ATOM 0 HD2 PRO A 21 -4.002 11.637 11.146 1.00 42.43 H new ATOM 0 HD3 PRO A 21 -5.262 10.565 11.723 1.00 42.43 H new ATOM 329 N GLY A 22 -5.418 8.491 6.835 1.00 52.03 N ATOM 330 CA GLY A 22 -5.356 8.235 5.389 1.00 22.53 C ATOM 331 C GLY A 22 -4.073 8.705 4.711 1.00 75.35 C ATOM 332 O GLY A 22 -4.101 9.161 3.565 1.00 50.03 O ATOM 0 H GLY A 22 -5.455 7.640 7.397 1.00 52.03 H new ATOM 0 HA2 GLY A 22 -5.469 7.164 5.219 1.00 22.53 H new ATOM 0 HA3 GLY A 22 -6.204 8.725 4.911 1.00 22.53 H new ATOM 336 N VAL A 23 -2.945 8.596 5.413 1.00 41.31 N ATOM 337 CA VAL A 23 -1.631 9.005 4.875 1.00 63.45 C ATOM 338 C VAL A 23 -1.088 8.001 3.850 1.00 12.23 C ATOM 339 O VAL A 23 -0.335 8.374 2.947 1.00 34.34 O ATOM 340 CB VAL A 23 -0.604 9.287 6.011 1.00 24.40 C ATOM 341 CG1 VAL A 23 -1.095 10.476 6.845 1.00 13.42 C ATOM 342 CG2 VAL A 23 -0.364 8.050 6.901 1.00 42.44 C ATOM 0 H VAL A 23 -2.907 8.226 6.363 1.00 41.31 H new ATOM 0 HA VAL A 23 -1.786 9.943 4.343 1.00 63.45 H new ATOM 0 HB VAL A 23 0.356 9.529 5.555 1.00 24.40 H new ATOM 0 HG11 VAL A 23 -0.381 10.680 7.643 1.00 13.42 H new ATOM 0 HG12 VAL A 23 -1.187 11.355 6.207 1.00 13.42 H new ATOM 0 HG13 VAL A 23 -2.067 10.240 7.279 1.00 13.42 H new ATOM 0 HG21 VAL A 23 0.359 8.296 7.678 1.00 42.44 H new ATOM 0 HG22 VAL A 23 -1.304 7.746 7.363 1.00 42.44 H new ATOM 0 HG23 VAL A 23 0.022 7.233 6.292 1.00 42.44 H new ATOM 352 N MET A 24 -1.490 6.733 3.988 1.00 52.32 N ATOM 353 CA MET A 24 -1.209 5.699 2.983 1.00 41.52 C ATOM 354 C MET A 24 -2.006 6.008 1.684 1.00 2.24 C ATOM 355 O MET A 24 -1.538 5.736 0.574 1.00 24.13 O ATOM 356 CB MET A 24 -1.564 4.292 3.528 1.00 11.33 C ATOM 357 CG MET A 24 -0.883 3.913 4.856 1.00 62.50 C ATOM 358 SD MET A 24 -1.526 4.855 6.266 1.00 52.14 S ATOM 359 CE MET A 24 -0.432 4.328 7.587 1.00 5.44 C ATOM 0 H MET A 24 -2.016 6.395 4.794 1.00 52.32 H new ATOM 0 HA MET A 24 -0.143 5.705 2.754 1.00 41.52 H new ATOM 0 HB2 MET A 24 -2.644 4.234 3.662 1.00 11.33 H new ATOM 0 HB3 MET A 24 -1.296 3.550 2.776 1.00 11.33 H new ATOM 0 HG2 MET A 24 -1.024 2.848 5.041 1.00 62.50 H new ATOM 0 HG3 MET A 24 0.190 4.082 4.770 1.00 62.50 H new ATOM 0 HE1 MET A 24 -0.993 4.259 8.519 1.00 5.44 H new ATOM 0 HE2 MET A 24 -0.012 3.352 7.344 1.00 5.44 H new ATOM 0 HE3 MET A 24 0.375 5.052 7.702 1.00 5.44 H new ATOM 369 N THR A 25 -3.209 6.607 1.858 1.00 52.45 N ATOM 370 CA THR A 25 -4.056 7.084 0.746 1.00 54.01 C ATOM 371 C THR A 25 -3.420 8.327 0.069 1.00 10.34 C ATOM 372 O THR A 25 -3.567 8.515 -1.145 1.00 23.33 O ATOM 373 CB THR A 25 -5.505 7.425 1.256 1.00 21.44 C ATOM 374 OG1 THR A 25 -5.970 6.370 2.118 1.00 53.14 O ATOM 375 CG2 THR A 25 -6.520 7.619 0.105 1.00 12.11 C ATOM 0 H THR A 25 -3.617 6.772 2.778 1.00 52.45 H new ATOM 0 HA THR A 25 -4.128 6.284 0.009 1.00 54.01 H new ATOM 0 HB THR A 25 -5.438 8.370 1.794 1.00 21.44 H new ATOM 0 HG1 THR A 25 -5.408 5.576 1.996 1.00 53.14 H new ATOM 0 HG21 THR A 25 -7.501 7.852 0.520 1.00 12.11 H new ATOM 0 HG22 THR A 25 -6.193 8.439 -0.534 1.00 12.11 H new ATOM 0 HG23 THR A 25 -6.583 6.703 -0.483 1.00 12.11 H new ATOM 383 N HIS A 26 -2.703 9.160 0.877 1.00 52.44 N ATOM 384 CA HIS A 26 -1.975 10.349 0.371 1.00 53.00 C ATOM 385 C HIS A 26 -0.891 9.919 -0.622 1.00 22.00 C ATOM 386 O HIS A 26 -0.883 10.365 -1.762 1.00 42.33 O ATOM 387 CB HIS A 26 -1.296 11.178 1.508 1.00 55.42 C ATOM 388 CG HIS A 26 -2.214 11.811 2.518 1.00 42.51 C ATOM 389 ND1 HIS A 26 -1.778 12.203 3.771 1.00 70.54 N ATOM 390 CD2 HIS A 26 -3.530 12.130 2.468 1.00 42.42 C ATOM 391 CE1 HIS A 26 -2.785 12.724 4.440 1.00 33.11 C ATOM 392 NE2 HIS A 26 -3.857 12.689 3.677 1.00 12.41 N ATOM 0 H HIS A 26 -2.617 9.024 1.884 1.00 52.44 H new ATOM 0 HA HIS A 26 -2.721 10.981 -0.111 1.00 53.00 H new ATOM 0 HB2 HIS A 26 -0.603 10.525 2.039 1.00 55.42 H new ATOM 0 HB3 HIS A 26 -0.701 11.966 1.047 1.00 55.42 H new ATOM 0 HD1 HIS A 26 -0.825 12.104 4.122 1.00 70.54 H new ATOM 0 HD2 HIS A 26 -4.196 11.973 1.633 1.00 42.42 H new ATOM 0 HE1 HIS A 26 -2.739 13.115 5.446 1.00 33.11 H new ATOM 401 N VAL A 27 -0.006 9.017 -0.159 1.00 53.24 N ATOM 402 CA VAL A 27 1.204 8.625 -0.900 1.00 63.31 C ATOM 403 C VAL A 27 0.854 7.880 -2.214 1.00 32.14 C ATOM 404 O VAL A 27 1.388 8.211 -3.301 1.00 52.11 O ATOM 405 CB VAL A 27 2.183 7.792 0.029 1.00 4.10 C ATOM 406 CG1 VAL A 27 2.506 8.587 1.319 1.00 12.24 C ATOM 407 CG2 VAL A 27 1.644 6.388 0.390 1.00 42.31 C ATOM 0 H VAL A 27 -0.110 8.541 0.737 1.00 53.24 H new ATOM 0 HA VAL A 27 1.732 9.532 -1.196 1.00 63.31 H new ATOM 0 HB VAL A 27 3.094 7.635 -0.549 1.00 4.10 H new ATOM 0 HG11 VAL A 27 3.179 8.003 1.947 1.00 12.24 H new ATOM 0 HG12 VAL A 27 2.983 9.531 1.055 1.00 12.24 H new ATOM 0 HG13 VAL A 27 1.583 8.787 1.864 1.00 12.24 H new ATOM 0 HG21 VAL A 27 2.364 5.874 1.027 1.00 42.31 H new ATOM 0 HG22 VAL A 27 0.697 6.487 0.920 1.00 42.31 H new ATOM 0 HG23 VAL A 27 1.491 5.812 -0.522 1.00 42.31 H new ATOM 417 N CYS A 28 -0.115 6.943 -2.113 1.00 74.31 N ATOM 418 CA CYS A 28 -0.573 6.139 -3.248 1.00 62.43 C ATOM 419 C CYS A 28 -1.271 7.030 -4.284 1.00 74.32 C ATOM 420 O CYS A 28 -0.997 6.929 -5.482 1.00 10.05 O ATOM 421 CB CYS A 28 -1.528 5.032 -2.767 1.00 64.43 C ATOM 422 SG CYS A 28 -2.134 3.988 -4.101 1.00 13.44 S ATOM 0 H CYS A 28 -0.596 6.730 -1.239 1.00 74.31 H new ATOM 0 HA CYS A 28 0.294 5.673 -3.717 1.00 62.43 H new ATOM 0 HB2 CYS A 28 -1.014 4.411 -2.034 1.00 64.43 H new ATOM 0 HB3 CYS A 28 -2.377 5.489 -2.258 1.00 64.43 H new ATOM 0 HG CYS A 28 -1.228 3.108 -4.409 1.00 13.44 H new ATOM 428 N GLY A 29 -2.140 7.932 -3.781 1.00 21.43 N ATOM 429 CA GLY A 29 -2.889 8.863 -4.617 1.00 73.24 C ATOM 430 C GLY A 29 -2.018 9.924 -5.274 1.00 55.14 C ATOM 431 O GLY A 29 -2.347 10.401 -6.360 1.00 34.12 O ATOM 0 H GLY A 29 -2.334 8.027 -2.784 1.00 21.43 H new ATOM 0 HA2 GLY A 29 -3.412 8.303 -5.392 1.00 73.24 H new ATOM 0 HA3 GLY A 29 -3.650 9.354 -4.009 1.00 73.24 H new ATOM 435 N LEU A 30 -0.898 10.266 -4.607 1.00 35.32 N ATOM 436 CA LEU A 30 0.029 11.328 -5.038 1.00 44.21 C ATOM 437 C LEU A 30 0.734 10.910 -6.345 1.00 4.22 C ATOM 438 O LEU A 30 0.831 11.695 -7.291 1.00 70.40 O ATOM 439 CB LEU A 30 1.060 11.611 -3.892 1.00 32.31 C ATOM 440 CG LEU A 30 1.664 13.056 -3.788 1.00 21.44 C ATOM 441 CD1 LEU A 30 2.631 13.379 -4.932 1.00 12.44 C ATOM 442 CD2 LEU A 30 0.556 14.129 -3.681 1.00 51.43 C ATOM 0 H LEU A 30 -0.609 9.806 -3.744 1.00 35.32 H new ATOM 0 HA LEU A 30 -0.522 12.247 -5.238 1.00 44.21 H new ATOM 0 HB2 LEU A 30 0.576 11.382 -2.943 1.00 32.31 H new ATOM 0 HB3 LEU A 30 1.887 10.910 -4.006 1.00 32.31 H new ATOM 0 HG LEU A 30 2.247 13.076 -2.867 1.00 21.44 H new ATOM 0 HD11 LEU A 30 3.017 14.391 -4.807 1.00 12.44 H new ATOM 0 HD12 LEU A 30 3.459 12.671 -4.919 1.00 12.44 H new ATOM 0 HD13 LEU A 30 2.106 13.306 -5.884 1.00 12.44 H new ATOM 0 HD21 LEU A 30 1.012 15.117 -3.611 1.00 51.43 H new ATOM 0 HD22 LEU A 30 -0.080 14.085 -4.565 1.00 51.43 H new ATOM 0 HD23 LEU A 30 -0.046 13.943 -2.792 1.00 51.43 H new ATOM 454 N PHE A 31 1.257 9.678 -6.371 1.00 73.02 N ATOM 455 CA PHE A 31 1.961 9.146 -7.568 1.00 35.43 C ATOM 456 C PHE A 31 0.994 8.579 -8.625 1.00 41.40 C ATOM 457 O PHE A 31 1.327 8.548 -9.815 1.00 43.21 O ATOM 458 CB PHE A 31 3.058 8.155 -7.135 1.00 33.33 C ATOM 459 CG PHE A 31 4.043 8.835 -6.181 1.00 24.10 C ATOM 460 CD1 PHE A 31 4.836 9.900 -6.620 1.00 62.34 C ATOM 461 CD2 PHE A 31 4.132 8.466 -4.849 1.00 70.24 C ATOM 462 CE1 PHE A 31 5.680 10.557 -5.752 1.00 3.22 C ATOM 463 CE2 PHE A 31 4.971 9.130 -3.980 1.00 43.11 C ATOM 464 CZ PHE A 31 5.753 10.170 -4.432 1.00 20.42 C ATOM 0 H PHE A 31 1.212 9.026 -5.588 1.00 73.02 H new ATOM 0 HA PHE A 31 2.454 9.975 -8.075 1.00 35.43 H new ATOM 0 HB2 PHE A 31 2.606 7.292 -6.647 1.00 33.33 H new ATOM 0 HB3 PHE A 31 3.588 7.783 -8.012 1.00 33.33 H new ATOM 0 HD1 PHE A 31 4.786 10.211 -7.653 1.00 62.34 H new ATOM 0 HD2 PHE A 31 3.534 7.644 -4.485 1.00 70.24 H new ATOM 0 HE1 PHE A 31 6.286 11.377 -6.107 1.00 3.22 H new ATOM 0 HE2 PHE A 31 5.015 8.834 -2.942 1.00 43.11 H new ATOM 0 HZ PHE A 31 6.421 10.680 -3.754 1.00 20.42 H new ATOM 474 N ALA A 32 -0.193 8.127 -8.183 1.00 14.13 N ATOM 475 CA ALA A 32 -1.261 7.645 -9.090 1.00 13.54 C ATOM 476 C ALA A 32 -1.804 8.779 -9.986 1.00 35.13 C ATOM 477 O ALA A 32 -2.083 8.568 -11.175 1.00 64.52 O ATOM 478 CB ALA A 32 -2.402 7.025 -8.274 1.00 11.52 C ATOM 0 H ALA A 32 -0.442 8.084 -7.195 1.00 14.13 H new ATOM 0 HA ALA A 32 -0.827 6.887 -9.742 1.00 13.54 H new ATOM 0 HB1 ALA A 32 -3.183 6.673 -8.949 1.00 11.52 H new ATOM 0 HB2 ALA A 32 -2.020 6.186 -7.693 1.00 11.52 H new ATOM 0 HB3 ALA A 32 -2.816 7.775 -7.600 1.00 11.52 H new ATOM 484 N ARG A 33 -1.935 9.990 -9.396 1.00 72.44 N ATOM 485 CA ARG A 33 -2.497 11.172 -10.091 1.00 4.31 C ATOM 486 C ARG A 33 -1.490 11.801 -11.079 1.00 63.12 C ATOM 487 O ARG A 33 -1.845 12.748 -11.788 1.00 62.13 O ATOM 488 CB ARG A 33 -2.970 12.241 -9.062 1.00 60.33 C ATOM 489 CG ARG A 33 -1.834 12.949 -8.293 1.00 0.01 C ATOM 490 CD ARG A 33 -2.344 13.925 -7.218 1.00 30.11 C ATOM 491 NE ARG A 33 -3.076 15.064 -7.803 1.00 62.21 N ATOM 492 CZ ARG A 33 -3.847 15.934 -7.127 1.00 35.21 C ATOM 493 NH1 ARG A 33 -4.025 15.821 -5.809 1.00 41.52 N ATOM 494 NH2 ARG A 33 -4.436 16.922 -7.788 1.00 3.52 N ATOM 0 H ARG A 33 -1.657 10.175 -8.432 1.00 72.44 H new ATOM 0 HA ARG A 33 -3.354 10.823 -10.668 1.00 4.31 H new ATOM 0 HB2 ARG A 33 -3.558 12.994 -9.586 1.00 60.33 H new ATOM 0 HB3 ARG A 33 -3.634 11.763 -8.342 1.00 60.33 H new ATOM 0 HG2 ARG A 33 -1.201 12.198 -7.821 1.00 0.01 H new ATOM 0 HG3 ARG A 33 -1.209 13.493 -9.001 1.00 0.01 H new ATOM 0 HD2 ARG A 33 -2.997 13.392 -6.526 1.00 30.11 H new ATOM 0 HD3 ARG A 33 -1.500 14.297 -6.637 1.00 30.11 H new ATOM 0 HE ARG A 33 -2.990 15.204 -8.810 1.00 62.21 H new ATOM 0 HH11 ARG A 33 -3.572 15.064 -5.296 1.00 41.52 H new ATOM 0 HH12 ARG A 33 -4.614 16.491 -5.315 1.00 41.52 H new ATOM 0 HH21 ARG A 33 -4.301 17.014 -8.795 1.00 3.52 H new ATOM 0 HH22 ARG A 33 -5.024 17.590 -7.289 1.00 3.52 H new ATOM 508 N ARG A 34 -0.236 11.285 -11.103 1.00 51.55 N ATOM 509 CA ARG A 34 0.799 11.738 -12.043 1.00 21.44 C ATOM 510 C ARG A 34 0.359 11.346 -13.471 1.00 41.42 C ATOM 511 O ARG A 34 0.022 12.216 -14.287 1.00 13.40 O ATOM 512 CB ARG A 34 2.189 11.105 -11.649 1.00 53.20 C ATOM 513 CG ARG A 34 3.483 11.844 -12.115 1.00 2.10 C ATOM 514 CD ARG A 34 3.775 11.782 -13.633 1.00 64.20 C ATOM 515 NE ARG A 34 2.933 12.705 -14.423 1.00 63.32 N ATOM 516 CZ ARG A 34 3.047 12.926 -15.748 1.00 72.14 C ATOM 517 NH1 ARG A 34 3.973 12.306 -16.474 1.00 64.24 N ATOM 518 NH2 ARG A 34 2.197 13.747 -16.345 1.00 62.43 N ATOM 0 H ARG A 34 0.077 10.548 -10.472 1.00 51.55 H new ATOM 0 HA ARG A 34 0.920 12.821 -12.004 1.00 21.44 H new ATOM 0 HB2 ARG A 34 2.223 11.022 -10.563 1.00 53.20 H new ATOM 0 HB3 ARG A 34 2.220 10.091 -12.047 1.00 53.20 H new ATOM 0 HG2 ARG A 34 3.409 12.891 -11.819 1.00 2.10 H new ATOM 0 HG3 ARG A 34 4.334 11.421 -11.581 1.00 2.10 H new ATOM 0 HD2 ARG A 34 4.825 12.020 -13.805 1.00 64.20 H new ATOM 0 HD3 ARG A 34 3.617 10.763 -13.986 1.00 64.20 H new ATOM 0 HE ARG A 34 2.205 13.217 -13.924 1.00 63.32 H new ATOM 0 HH11 ARG A 34 4.614 11.649 -16.029 1.00 64.24 H new ATOM 0 HH12 ARG A 34 4.042 12.488 -17.475 1.00 64.24 H new ATOM 0 HH21 ARG A 34 1.465 14.205 -15.803 1.00 62.43 H new ATOM 0 HH22 ARG A 34 2.275 13.921 -17.347 1.00 62.43 H new ATOM 532 N ALA A 35 0.310 10.027 -13.722 1.00 21.44 N ATOM 533 CA ALA A 35 0.031 9.458 -15.056 1.00 4.11 C ATOM 534 C ALA A 35 -0.081 7.937 -14.954 1.00 31.21 C ATOM 535 O ALA A 35 -1.036 7.336 -15.442 1.00 41.11 O ATOM 536 CB ALA A 35 1.137 9.836 -16.063 1.00 75.51 C ATOM 0 H ALA A 35 0.463 9.320 -13.003 1.00 21.44 H new ATOM 0 HA ALA A 35 -0.912 9.871 -15.415 1.00 4.11 H new ATOM 0 HB1 ALA A 35 0.906 9.404 -17.037 1.00 75.51 H new ATOM 0 HB2 ALA A 35 1.193 10.921 -16.152 1.00 75.51 H new ATOM 0 HB3 ALA A 35 2.095 9.451 -15.713 1.00 75.51 H new ATOM 542 N PHE A 36 0.932 7.327 -14.316 1.00 64.22 N ATOM 543 CA PHE A 36 1.017 5.869 -14.133 1.00 35.00 C ATOM 544 C PHE A 36 0.695 5.508 -12.670 1.00 65.31 C ATOM 545 O PHE A 36 0.993 6.282 -11.751 1.00 52.33 O ATOM 546 CB PHE A 36 2.435 5.368 -14.530 1.00 42.45 C ATOM 547 CG PHE A 36 2.617 3.844 -14.487 1.00 72.22 C ATOM 548 CD1 PHE A 36 1.803 3.007 -15.248 1.00 14.34 C ATOM 549 CD2 PHE A 36 3.596 3.249 -13.687 1.00 64.34 C ATOM 550 CE1 PHE A 36 1.962 1.637 -15.209 1.00 45.41 C ATOM 551 CE2 PHE A 36 3.755 1.877 -13.650 1.00 61.54 C ATOM 552 CZ PHE A 36 2.938 1.072 -14.409 1.00 73.15 C ATOM 0 H PHE A 36 1.719 7.834 -13.911 1.00 64.22 H new ATOM 0 HA PHE A 36 0.288 5.378 -14.777 1.00 35.00 H new ATOM 0 HB2 PHE A 36 2.659 5.718 -15.538 1.00 42.45 H new ATOM 0 HB3 PHE A 36 3.166 5.826 -13.864 1.00 42.45 H new ATOM 0 HD1 PHE A 36 1.037 3.437 -15.877 1.00 14.34 H new ATOM 0 HD2 PHE A 36 4.241 3.873 -13.086 1.00 64.34 H new ATOM 0 HE1 PHE A 36 1.322 1.004 -15.805 1.00 45.41 H new ATOM 0 HE2 PHE A 36 4.519 1.438 -13.026 1.00 61.54 H new ATOM 0 HZ PHE A 36 3.059 -0.001 -14.380 1.00 73.15 H new ATOM 562 N ASN A 37 0.089 4.326 -12.477 1.00 21.30 N ATOM 563 CA ASN A 37 -0.263 3.790 -11.146 1.00 62.43 C ATOM 564 C ASN A 37 0.965 3.168 -10.469 1.00 51.14 C ATOM 565 O ASN A 37 2.050 3.109 -11.049 1.00 41.30 O ATOM 566 CB ASN A 37 -1.374 2.719 -11.288 1.00 44.21 C ATOM 567 CG ASN A 37 -2.657 3.264 -11.898 1.00 40.24 C ATOM 568 OD1 ASN A 37 -3.062 4.399 -11.635 1.00 72.42 O ATOM 569 ND2 ASN A 37 -3.292 2.475 -12.745 1.00 25.32 N ATOM 0 H ASN A 37 -0.174 3.708 -13.245 1.00 21.30 H new ATOM 0 HA ASN A 37 -0.624 4.612 -10.528 1.00 62.43 H new ATOM 0 HB2 ASN A 37 -1.004 1.901 -11.906 1.00 44.21 H new ATOM 0 HB3 ASN A 37 -1.595 2.302 -10.306 1.00 44.21 H new ATOM 0 HD21 ASN A 37 -4.144 2.799 -13.203 1.00 25.32 H new ATOM 0 HD22 ASN A 37 -2.931 1.541 -12.941 1.00 25.32 H new ATOM 576 N VAL A 38 0.779 2.694 -9.236 1.00 73.20 N ATOM 577 CA VAL A 38 1.832 2.001 -8.491 1.00 51.20 C ATOM 578 C VAL A 38 1.790 0.498 -8.838 1.00 43.34 C ATOM 579 O VAL A 38 0.764 -0.156 -8.636 1.00 64.53 O ATOM 580 CB VAL A 38 1.687 2.220 -6.937 1.00 51.31 C ATOM 581 CG1 VAL A 38 2.904 1.643 -6.185 1.00 10.33 C ATOM 582 CG2 VAL A 38 1.484 3.720 -6.590 1.00 22.32 C ATOM 0 H VAL A 38 -0.101 2.779 -8.728 1.00 73.20 H new ATOM 0 HA VAL A 38 2.797 2.417 -8.781 1.00 51.20 H new ATOM 0 HB VAL A 38 0.797 1.683 -6.611 1.00 51.31 H new ATOM 0 HG11 VAL A 38 2.781 1.806 -5.114 1.00 10.33 H new ATOM 0 HG12 VAL A 38 2.980 0.574 -6.383 1.00 10.33 H new ATOM 0 HG13 VAL A 38 3.812 2.141 -6.526 1.00 10.33 H new ATOM 0 HG21 VAL A 38 1.388 3.834 -5.510 1.00 22.32 H new ATOM 0 HG22 VAL A 38 2.342 4.294 -6.940 1.00 22.32 H new ATOM 0 HG23 VAL A 38 0.580 4.087 -7.076 1.00 22.32 H new ATOM 592 N GLU A 39 2.898 -0.005 -9.421 1.00 52.41 N ATOM 593 CA GLU A 39 3.103 -1.435 -9.734 1.00 4.40 C ATOM 594 C GLU A 39 2.956 -2.297 -8.460 1.00 24.43 C ATOM 595 O GLU A 39 2.174 -3.257 -8.438 1.00 14.25 O ATOM 596 CB GLU A 39 4.522 -1.640 -10.357 1.00 3.13 C ATOM 597 CG GLU A 39 4.853 -3.091 -10.789 1.00 25.14 C ATOM 598 CD GLU A 39 6.342 -3.312 -11.132 1.00 41.33 C ATOM 599 OE1 GLU A 39 6.830 -2.736 -12.133 1.00 1.44 O ATOM 600 OE2 GLU A 39 7.031 -4.056 -10.392 1.00 73.03 O ATOM 0 H GLU A 39 3.688 0.580 -9.692 1.00 52.41 H new ATOM 0 HA GLU A 39 2.345 -1.748 -10.452 1.00 4.40 H new ATOM 0 HB2 GLU A 39 4.616 -0.989 -11.226 1.00 3.13 H new ATOM 0 HB3 GLU A 39 5.269 -1.315 -9.633 1.00 3.13 H new ATOM 0 HG2 GLU A 39 4.569 -3.773 -9.988 1.00 25.14 H new ATOM 0 HG3 GLU A 39 4.247 -3.349 -11.657 1.00 25.14 H new ATOM 607 N GLY A 40 3.692 -1.913 -7.393 1.00 75.32 N ATOM 608 CA GLY A 40 3.720 -2.701 -6.141 1.00 70.55 C ATOM 609 C GLY A 40 3.953 -1.833 -4.914 1.00 13.11 C ATOM 610 O GLY A 40 4.588 -0.801 -5.012 1.00 62.41 O ATOM 0 H GLY A 40 4.268 -1.072 -7.373 1.00 75.32 H new ATOM 0 HA2 GLY A 40 2.777 -3.236 -6.030 1.00 70.55 H new ATOM 0 HA3 GLY A 40 4.507 -3.453 -6.206 1.00 70.55 H new ATOM 614 N ILE A 41 3.437 -2.251 -3.748 1.00 43.23 N ATOM 615 CA ILE A 41 3.516 -1.469 -2.482 1.00 22.12 C ATOM 616 C ILE A 41 4.016 -2.377 -1.346 1.00 24.04 C ATOM 617 O ILE A 41 3.796 -3.589 -1.379 1.00 34.43 O ATOM 618 CB ILE A 41 2.103 -0.862 -2.074 1.00 10.20 C ATOM 619 CG1 ILE A 41 1.496 -0.026 -3.242 1.00 43.43 C ATOM 620 CG2 ILE A 41 2.185 -0.009 -0.779 1.00 63.42 C ATOM 621 CD1 ILE A 41 0.144 0.604 -2.944 1.00 1.10 C ATOM 0 H ILE A 41 2.950 -3.141 -3.645 1.00 43.23 H new ATOM 0 HA ILE A 41 4.209 -0.644 -2.646 1.00 22.12 H new ATOM 0 HB ILE A 41 1.443 -1.705 -1.869 1.00 10.20 H new ATOM 0 HG12 ILE A 41 2.198 0.764 -3.507 1.00 43.43 H new ATOM 0 HG13 ILE A 41 1.396 -0.669 -4.116 1.00 43.43 H new ATOM 0 HG21 ILE A 41 1.197 0.385 -0.539 1.00 63.42 H new ATOM 0 HG22 ILE A 41 2.537 -0.630 0.044 1.00 63.42 H new ATOM 0 HG23 ILE A 41 2.878 0.818 -0.932 1.00 63.42 H new ATOM 0 HD11 ILE A 41 -0.196 1.164 -3.815 1.00 1.10 H new ATOM 0 HD12 ILE A 41 -0.578 -0.178 -2.711 1.00 1.10 H new ATOM 0 HD13 ILE A 41 0.236 1.278 -2.092 1.00 1.10 H new ATOM 633 N LEU A 42 4.709 -1.789 -0.361 1.00 24.41 N ATOM 634 CA LEU A 42 5.008 -2.457 0.915 1.00 23.33 C ATOM 635 C LEU A 42 5.112 -1.401 2.030 1.00 11.42 C ATOM 636 O LEU A 42 6.058 -0.636 2.076 1.00 74.23 O ATOM 637 CB LEU A 42 6.301 -3.325 0.799 1.00 31.21 C ATOM 638 CG LEU A 42 6.831 -4.014 2.110 1.00 21.12 C ATOM 639 CD1 LEU A 42 5.719 -4.739 2.889 1.00 21.34 C ATOM 640 CD2 LEU A 42 7.980 -4.982 1.780 1.00 24.14 C ATOM 0 H LEU A 42 5.077 -0.840 -0.425 1.00 24.41 H new ATOM 0 HA LEU A 42 4.198 -3.141 1.169 1.00 23.33 H new ATOM 0 HB2 LEU A 42 6.118 -4.104 0.059 1.00 31.21 H new ATOM 0 HB3 LEU A 42 7.097 -2.693 0.406 1.00 31.21 H new ATOM 0 HG LEU A 42 7.205 -3.222 2.758 1.00 21.12 H new ATOM 0 HD11 LEU A 42 6.141 -5.196 3.784 1.00 21.34 H new ATOM 0 HD12 LEU A 42 4.949 -4.023 3.176 1.00 21.34 H new ATOM 0 HD13 LEU A 42 5.279 -5.512 2.260 1.00 21.34 H new ATOM 0 HD21 LEU A 42 8.336 -5.451 2.698 1.00 24.14 H new ATOM 0 HD22 LEU A 42 7.623 -5.751 1.095 1.00 24.14 H new ATOM 0 HD23 LEU A 42 8.797 -4.431 1.313 1.00 24.14 H new ATOM 652 N CYS A 43 4.086 -1.330 2.882 1.00 10.43 N ATOM 653 CA CYS A 43 4.096 -0.513 4.105 1.00 11.23 C ATOM 654 C CYS A 43 4.519 -1.401 5.288 1.00 71.34 C ATOM 655 O CYS A 43 3.754 -2.276 5.718 1.00 22.31 O ATOM 656 CB CYS A 43 2.703 0.106 4.347 1.00 53.55 C ATOM 657 SG CYS A 43 2.554 1.122 5.834 1.00 1.31 S ATOM 0 H CYS A 43 3.215 -1.842 2.744 1.00 10.43 H new ATOM 0 HA CYS A 43 4.807 0.307 3.999 1.00 11.23 H new ATOM 0 HB2 CYS A 43 2.440 0.716 3.483 1.00 53.55 H new ATOM 0 HB3 CYS A 43 1.971 -0.700 4.403 1.00 53.55 H new ATOM 0 HG CYS A 43 3.730 1.551 6.186 1.00 1.31 H new ATOM 663 N LEU A 44 5.757 -1.201 5.760 1.00 4.23 N ATOM 664 CA LEU A 44 6.341 -1.938 6.893 1.00 62.41 C ATOM 665 C LEU A 44 6.277 -1.027 8.135 1.00 71.53 C ATOM 666 O LEU A 44 7.067 -0.073 8.231 1.00 52.22 O ATOM 667 CB LEU A 44 7.808 -2.316 6.555 1.00 60.01 C ATOM 668 CG LEU A 44 8.521 -3.377 7.455 1.00 31.44 C ATOM 669 CD1 LEU A 44 7.882 -4.771 7.294 1.00 11.05 C ATOM 670 CD2 LEU A 44 10.032 -3.436 7.141 1.00 11.12 C ATOM 0 H LEU A 44 6.393 -0.511 5.360 1.00 4.23 H new ATOM 0 HA LEU A 44 5.791 -2.858 7.090 1.00 62.41 H new ATOM 0 HB2 LEU A 44 7.830 -2.681 5.528 1.00 60.01 H new ATOM 0 HB3 LEU A 44 8.402 -1.403 6.582 1.00 60.01 H new ATOM 0 HG LEU A 44 8.394 -3.067 8.492 1.00 31.44 H new ATOM 0 HD11 LEU A 44 8.401 -5.485 7.933 1.00 11.05 H new ATOM 0 HD12 LEU A 44 6.831 -4.725 7.580 1.00 11.05 H new ATOM 0 HD13 LEU A 44 7.961 -5.090 6.255 1.00 11.05 H new ATOM 0 HD21 LEU A 44 10.507 -4.181 7.779 1.00 11.12 H new ATOM 0 HD22 LEU A 44 10.176 -3.709 6.096 1.00 11.12 H new ATOM 0 HD23 LEU A 44 10.481 -2.460 7.326 1.00 11.12 H new ATOM 682 N PRO A 45 5.297 -1.253 9.070 1.00 30.13 N ATOM 683 CA PRO A 45 5.136 -0.397 10.262 1.00 32.41 C ATOM 684 C PRO A 45 6.231 -0.658 11.317 1.00 25.11 C ATOM 685 O PRO A 45 6.354 -1.778 11.839 1.00 23.22 O ATOM 686 CB PRO A 45 3.720 -0.769 10.778 1.00 45.04 C ATOM 687 CG PRO A 45 3.502 -2.191 10.331 1.00 13.15 C ATOM 688 CD PRO A 45 4.273 -2.347 9.027 1.00 20.12 C ATOM 0 HA PRO A 45 5.236 0.665 10.038 1.00 32.41 H new ATOM 0 HB2 PRO A 45 3.660 -0.683 11.863 1.00 45.04 H new ATOM 0 HB3 PRO A 45 2.962 -0.105 10.363 1.00 45.04 H new ATOM 0 HG2 PRO A 45 3.860 -2.895 11.082 1.00 13.15 H new ATOM 0 HG3 PRO A 45 2.441 -2.395 10.183 1.00 13.15 H new ATOM 0 HD2 PRO A 45 4.742 -3.328 8.957 1.00 20.12 H new ATOM 0 HD3 PRO A 45 3.617 -2.245 8.162 1.00 20.12 H new ATOM 696 N ILE A 46 7.040 0.378 11.607 1.00 31.54 N ATOM 697 CA ILE A 46 8.056 0.310 12.664 1.00 51.01 C ATOM 698 C ILE A 46 7.328 0.391 14.023 1.00 32.44 C ATOM 699 O ILE A 46 6.790 1.443 14.389 1.00 42.24 O ATOM 700 CB ILE A 46 9.155 1.446 12.565 1.00 12.13 C ATOM 701 CG1 ILE A 46 10.000 1.362 11.245 1.00 22.20 C ATOM 702 CG2 ILE A 46 10.098 1.416 13.797 1.00 15.01 C ATOM 703 CD1 ILE A 46 9.278 1.740 9.965 1.00 62.02 C ATOM 0 H ILE A 46 7.006 1.273 11.120 1.00 31.54 H new ATOM 0 HA ILE A 46 8.597 -0.630 12.552 1.00 51.01 H new ATOM 0 HB ILE A 46 8.614 2.392 12.547 1.00 12.13 H new ATOM 0 HG12 ILE A 46 10.870 2.010 11.353 1.00 22.20 H new ATOM 0 HG13 ILE A 46 10.373 0.343 11.141 1.00 22.20 H new ATOM 0 HG21 ILE A 46 10.843 2.206 13.704 1.00 15.01 H new ATOM 0 HG22 ILE A 46 9.515 1.572 14.705 1.00 15.01 H new ATOM 0 HG23 ILE A 46 10.599 0.449 13.849 1.00 15.01 H new ATOM 0 HD11 ILE A 46 9.960 1.644 9.120 1.00 62.02 H new ATOM 0 HD12 ILE A 46 8.425 1.077 9.819 1.00 62.02 H new ATOM 0 HD13 ILE A 46 8.929 2.770 10.035 1.00 62.02 H new ATOM 715 N GLN A 47 7.294 -0.746 14.734 1.00 51.33 N ATOM 716 CA GLN A 47 6.614 -0.894 16.038 1.00 64.40 C ATOM 717 C GLN A 47 7.190 0.031 17.131 1.00 72.41 C ATOM 718 O GLN A 47 6.511 0.324 18.123 1.00 70.12 O ATOM 719 CB GLN A 47 6.719 -2.369 16.496 1.00 62.32 C ATOM 720 CG GLN A 47 8.164 -2.898 16.637 1.00 62.44 C ATOM 721 CD GLN A 47 8.248 -4.340 17.138 1.00 3.12 C ATOM 722 OE1 GLN A 47 7.370 -5.164 16.870 1.00 41.10 O ATOM 723 NE2 GLN A 47 9.298 -4.652 17.877 1.00 24.44 N ATOM 0 H GLN A 47 7.744 -1.605 14.417 1.00 51.33 H new ATOM 0 HA GLN A 47 5.573 -0.601 15.897 1.00 64.40 H new ATOM 0 HB2 GLN A 47 6.212 -2.475 17.455 1.00 62.32 H new ATOM 0 HB3 GLN A 47 6.185 -2.996 15.782 1.00 62.32 H new ATOM 0 HG2 GLN A 47 8.662 -2.830 15.670 1.00 62.44 H new ATOM 0 HG3 GLN A 47 8.712 -2.252 17.323 1.00 62.44 H new ATOM 0 HE21 GLN A 47 10.006 -3.947 18.080 1.00 24.44 H new ATOM 0 HE22 GLN A 47 9.400 -5.598 18.244 1.00 24.44 H new ATOM 732 N ASP A 48 8.439 0.470 16.928 1.00 72.22 N ATOM 733 CA ASP A 48 9.209 1.247 17.910 1.00 5.41 C ATOM 734 C ASP A 48 8.648 2.670 18.119 1.00 75.32 C ATOM 735 O ASP A 48 8.543 3.131 19.257 1.00 34.43 O ATOM 736 CB ASP A 48 10.687 1.300 17.444 1.00 52.40 C ATOM 737 CG ASP A 48 11.601 2.178 18.321 1.00 53.54 C ATOM 738 OD1 ASP A 48 11.984 1.737 19.422 1.00 10.31 O ATOM 739 OD2 ASP A 48 11.948 3.307 17.910 1.00 0.00 O ATOM 0 H ASP A 48 8.951 0.293 16.064 1.00 72.22 H new ATOM 0 HA ASP A 48 9.132 0.751 18.877 1.00 5.41 H new ATOM 0 HB2 ASP A 48 11.086 0.286 17.427 1.00 52.40 H new ATOM 0 HB3 ASP A 48 10.719 1.673 16.420 1.00 52.40 H new ATOM 744 N SER A 49 8.258 3.345 17.021 1.00 13.10 N ATOM 745 CA SER A 49 7.875 4.783 17.050 1.00 71.11 C ATOM 746 C SER A 49 6.856 5.122 15.943 1.00 63.42 C ATOM 747 O SER A 49 6.432 4.240 15.185 1.00 34.34 O ATOM 748 CB SER A 49 9.144 5.672 16.905 1.00 61.12 C ATOM 749 OG SER A 49 9.993 5.573 18.035 1.00 31.21 O ATOM 0 H SER A 49 8.197 2.921 16.095 1.00 13.10 H new ATOM 0 HA SER A 49 7.399 4.985 18.009 1.00 71.11 H new ATOM 0 HB2 SER A 49 9.694 5.376 16.011 1.00 61.12 H new ATOM 0 HB3 SER A 49 8.845 6.711 16.766 1.00 61.12 H new ATOM 0 HG SER A 49 10.600 4.812 17.923 1.00 31.21 H new ATOM 755 N ASP A 50 6.465 6.419 15.882 1.00 11.22 N ATOM 756 CA ASP A 50 5.557 6.964 14.851 1.00 43.31 C ATOM 757 C ASP A 50 6.292 7.062 13.502 1.00 52.21 C ATOM 758 O ASP A 50 6.800 8.132 13.129 1.00 4.43 O ATOM 759 CB ASP A 50 5.021 8.370 15.268 1.00 74.24 C ATOM 760 CG ASP A 50 4.089 8.362 16.492 1.00 21.35 C ATOM 761 OD1 ASP A 50 4.513 7.901 17.571 1.00 15.13 O ATOM 762 OD2 ASP A 50 2.938 8.851 16.391 1.00 4.11 O ATOM 0 H ASP A 50 6.776 7.120 16.555 1.00 11.22 H new ATOM 0 HA ASP A 50 4.708 6.288 14.751 1.00 43.31 H new ATOM 0 HB2 ASP A 50 5.870 9.020 15.478 1.00 74.24 H new ATOM 0 HB3 ASP A 50 4.487 8.806 14.424 1.00 74.24 H new ATOM 767 N LYS A 51 6.404 5.915 12.816 1.00 63.03 N ATOM 768 CA LYS A 51 7.049 5.816 11.504 1.00 74.54 C ATOM 769 C LYS A 51 6.692 4.474 10.835 1.00 2.54 C ATOM 770 O LYS A 51 6.506 3.455 11.511 1.00 61.04 O ATOM 771 CB LYS A 51 8.594 5.998 11.637 1.00 22.12 C ATOM 772 CG LYS A 51 9.271 5.061 12.660 1.00 33.22 C ATOM 773 CD LYS A 51 10.779 5.353 12.861 1.00 42.23 C ATOM 774 CE LYS A 51 11.048 6.749 13.450 1.00 61.33 C ATOM 775 NZ LYS A 51 12.496 6.972 13.714 1.00 2.01 N ATOM 0 H LYS A 51 6.046 5.025 13.161 1.00 63.03 H new ATOM 0 HA LYS A 51 6.678 6.618 10.866 1.00 74.54 H new ATOM 0 HB2 LYS A 51 9.050 5.836 10.660 1.00 22.12 H new ATOM 0 HB3 LYS A 51 8.801 7.030 11.919 1.00 22.12 H new ATOM 0 HG2 LYS A 51 8.760 5.153 13.619 1.00 33.22 H new ATOM 0 HG3 LYS A 51 9.149 4.029 12.332 1.00 33.22 H new ATOM 0 HD2 LYS A 51 11.205 4.598 13.522 1.00 42.23 H new ATOM 0 HD3 LYS A 51 11.291 5.264 11.903 1.00 42.23 H new ATOM 0 HE2 LYS A 51 10.684 7.510 12.760 1.00 61.33 H new ATOM 0 HE3 LYS A 51 10.488 6.865 14.378 1.00 61.33 H new ATOM 0 HZ1 LYS A 51 12.634 7.924 14.110 1.00 2.01 H new ATOM 0 HZ2 LYS A 51 12.839 6.262 14.392 1.00 2.01 H new ATOM 0 HZ3 LYS A 51 13.028 6.887 12.825 1.00 2.01 H new ATOM 789 N SER A 52 6.593 4.503 9.507 1.00 21.43 N ATOM 790 CA SER A 52 6.311 3.336 8.668 1.00 1.25 C ATOM 791 C SER A 52 6.917 3.611 7.292 1.00 31.04 C ATOM 792 O SER A 52 6.693 4.685 6.738 1.00 44.24 O ATOM 793 CB SER A 52 4.785 3.094 8.558 1.00 41.03 C ATOM 794 OG SER A 52 4.505 1.934 7.796 1.00 55.32 O ATOM 0 H SER A 52 6.710 5.362 8.969 1.00 21.43 H new ATOM 0 HA SER A 52 6.745 2.437 9.105 1.00 1.25 H new ATOM 0 HB2 SER A 52 4.358 2.989 9.555 1.00 41.03 H new ATOM 0 HB3 SER A 52 4.309 3.959 8.097 1.00 41.03 H new ATOM 0 HG SER A 52 3.535 1.821 7.717 1.00 55.32 H new ATOM 800 N HIS A 53 7.716 2.676 6.758 1.00 20.30 N ATOM 801 CA HIS A 53 8.349 2.843 5.434 1.00 40.20 C ATOM 802 C HIS A 53 7.439 2.220 4.363 1.00 10.33 C ATOM 803 O HIS A 53 7.221 1.006 4.371 1.00 15.42 O ATOM 804 CB HIS A 53 9.738 2.154 5.392 1.00 20.41 C ATOM 805 CG HIS A 53 10.723 2.570 6.454 1.00 4.54 C ATOM 806 ND1 HIS A 53 11.479 1.673 7.174 1.00 70.00 N ATOM 807 CD2 HIS A 53 11.116 3.787 6.869 1.00 74.55 C ATOM 808 CE1 HIS A 53 12.290 2.330 7.976 1.00 20.11 C ATOM 809 NE2 HIS A 53 12.093 3.615 7.811 1.00 4.12 N ATOM 0 H HIS A 53 7.942 1.795 7.220 1.00 20.30 H new ATOM 0 HA HIS A 53 8.487 3.907 5.243 1.00 40.20 H new ATOM 0 HB2 HIS A 53 9.588 1.077 5.468 1.00 20.41 H new ATOM 0 HB3 HIS A 53 10.185 2.346 4.417 1.00 20.41 H new ATOM 0 HD1 HIS A 53 11.420 0.658 7.098 1.00 70.00 H new ATOM 0 HD2 HIS A 53 10.729 4.733 6.520 1.00 74.55 H new ATOM 0 HE1 HIS A 53 13.000 1.884 8.657 1.00 20.11 H new ATOM 818 N ILE A 54 6.891 3.052 3.467 1.00 55.33 N ATOM 819 CA ILE A 54 6.055 2.589 2.347 1.00 43.41 C ATOM 820 C ILE A 54 6.898 2.661 1.066 1.00 21.40 C ATOM 821 O ILE A 54 7.221 3.759 0.604 1.00 71.30 O ATOM 822 CB ILE A 54 4.720 3.429 2.152 1.00 42.43 C ATOM 823 CG1 ILE A 54 3.825 3.470 3.436 1.00 15.44 C ATOM 824 CG2 ILE A 54 3.900 2.877 0.965 1.00 50.12 C ATOM 825 CD1 ILE A 54 4.366 4.298 4.576 1.00 74.11 C ATOM 0 H ILE A 54 7.014 4.064 3.497 1.00 55.33 H new ATOM 0 HA ILE A 54 5.738 1.571 2.572 1.00 43.41 H new ATOM 0 HB ILE A 54 5.032 4.452 1.944 1.00 42.43 H new ATOM 0 HG12 ILE A 54 2.844 3.857 3.162 1.00 15.44 H new ATOM 0 HG13 ILE A 54 3.678 2.449 3.789 1.00 15.44 H new ATOM 0 HG21 ILE A 54 2.990 3.465 0.847 1.00 50.12 H new ATOM 0 HG22 ILE A 54 4.493 2.940 0.053 1.00 50.12 H new ATOM 0 HG23 ILE A 54 3.638 1.837 1.157 1.00 50.12 H new ATOM 0 HD11 ILE A 54 3.671 4.260 5.415 1.00 74.11 H new ATOM 0 HD12 ILE A 54 5.333 3.902 4.887 1.00 74.11 H new ATOM 0 HD13 ILE A 54 4.485 5.331 4.251 1.00 74.11 H new ATOM 837 N TRP A 55 7.288 1.489 0.533 1.00 62.00 N ATOM 838 CA TRP A 55 8.041 1.385 -0.725 1.00 42.02 C ATOM 839 C TRP A 55 7.054 1.298 -1.899 1.00 14.32 C ATOM 840 O TRP A 55 6.349 0.291 -2.058 1.00 12.21 O ATOM 841 CB TRP A 55 8.978 0.153 -0.691 1.00 42.10 C ATOM 842 CG TRP A 55 10.038 0.237 0.391 1.00 51.43 C ATOM 843 CD1 TRP A 55 11.235 0.881 0.328 1.00 10.24 C ATOM 844 CD2 TRP A 55 9.972 -0.314 1.700 1.00 32.20 C ATOM 845 NE1 TRP A 55 11.925 0.726 1.496 1.00 53.35 N ATOM 846 CE2 TRP A 55 11.164 0.013 2.364 1.00 23.41 C ATOM 847 CE3 TRP A 55 9.023 -1.051 2.366 1.00 71.50 C ATOM 848 CZ2 TRP A 55 11.422 -0.382 3.670 1.00 64.52 C ATOM 849 CZ3 TRP A 55 9.265 -1.434 3.652 1.00 32.02 C ATOM 850 CH2 TRP A 55 10.456 -1.098 4.302 1.00 53.24 C ATOM 0 H TRP A 55 7.088 0.587 0.965 1.00 62.00 H new ATOM 0 HA TRP A 55 8.664 2.270 -0.854 1.00 42.02 H new ATOM 0 HB2 TRP A 55 8.381 -0.745 -0.536 1.00 42.10 H new ATOM 0 HB3 TRP A 55 9.465 0.049 -1.660 1.00 42.10 H new ATOM 0 HD1 TRP A 55 11.590 1.437 -0.527 1.00 10.24 H new ATOM 0 HE1 TRP A 55 12.860 1.087 1.685 1.00 53.35 H new ATOM 0 HE3 TRP A 55 8.099 -1.323 1.878 1.00 71.50 H new ATOM 0 HZ2 TRP A 55 12.350 -0.131 4.162 1.00 64.52 H new ATOM 0 HZ3 TRP A 55 8.520 -2.010 4.180 1.00 32.02 H new ATOM 0 HH2 TRP A 55 10.611 -1.413 5.323 1.00 53.24 H new ATOM 861 N LEU A 56 6.972 2.388 -2.680 1.00 32.31 N ATOM 862 CA LEU A 56 6.079 2.493 -3.843 1.00 61.15 C ATOM 863 C LEU A 56 6.861 2.229 -5.140 1.00 2.32 C ATOM 864 O LEU A 56 7.725 3.017 -5.526 1.00 61.30 O ATOM 865 CB LEU A 56 5.406 3.896 -3.870 1.00 25.03 C ATOM 866 CG LEU A 56 4.443 4.197 -2.677 1.00 34.53 C ATOM 867 CD1 LEU A 56 3.927 5.642 -2.722 1.00 12.22 C ATOM 868 CD2 LEU A 56 3.269 3.200 -2.648 1.00 30.12 C ATOM 0 H LEU A 56 7.529 3.227 -2.519 1.00 32.31 H new ATOM 0 HA LEU A 56 5.296 1.739 -3.763 1.00 61.15 H new ATOM 0 HB2 LEU A 56 6.188 4.656 -3.885 1.00 25.03 H new ATOM 0 HB3 LEU A 56 4.847 3.995 -4.801 1.00 25.03 H new ATOM 0 HG LEU A 56 5.016 4.076 -1.757 1.00 34.53 H new ATOM 0 HD11 LEU A 56 3.260 5.817 -1.878 1.00 12.22 H new ATOM 0 HD12 LEU A 56 4.770 6.331 -2.667 1.00 12.22 H new ATOM 0 HD13 LEU A 56 3.384 5.806 -3.653 1.00 12.22 H new ATOM 0 HD21 LEU A 56 2.615 3.433 -1.808 1.00 30.12 H new ATOM 0 HD22 LEU A 56 2.706 3.274 -3.578 1.00 30.12 H new ATOM 0 HD23 LEU A 56 3.655 2.187 -2.537 1.00 30.12 H new ATOM 880 N LEU A 57 6.540 1.106 -5.790 1.00 44.20 N ATOM 881 CA LEU A 57 7.143 0.677 -7.058 1.00 21.10 C ATOM 882 C LEU A 57 6.351 1.302 -8.197 1.00 65.51 C ATOM 883 O LEU A 57 5.200 0.930 -8.416 1.00 62.14 O ATOM 884 CB LEU A 57 7.137 -0.875 -7.210 1.00 14.11 C ATOM 885 CG LEU A 57 8.155 -1.679 -6.343 1.00 0.04 C ATOM 886 CD1 LEU A 57 7.926 -1.493 -4.828 1.00 54.44 C ATOM 887 CD2 LEU A 57 8.132 -3.167 -6.738 1.00 22.32 C ATOM 0 H LEU A 57 5.837 0.454 -5.442 1.00 44.20 H new ATOM 0 HA LEU A 57 8.183 1.002 -7.078 1.00 21.10 H new ATOM 0 HB2 LEU A 57 6.135 -1.234 -6.975 1.00 14.11 H new ATOM 0 HB3 LEU A 57 7.323 -1.113 -8.257 1.00 14.11 H new ATOM 0 HG LEU A 57 9.147 -1.277 -6.549 1.00 0.04 H new ATOM 0 HD11 LEU A 57 8.663 -2.075 -4.274 1.00 54.44 H new ATOM 0 HD12 LEU A 57 8.029 -0.439 -4.571 1.00 54.44 H new ATOM 0 HD13 LEU A 57 6.924 -1.834 -4.567 1.00 54.44 H new ATOM 0 HD21 LEU A 57 8.847 -3.717 -6.126 1.00 22.32 H new ATOM 0 HD22 LEU A 57 7.132 -3.570 -6.579 1.00 22.32 H new ATOM 0 HD23 LEU A 57 8.401 -3.269 -7.789 1.00 22.32 H new ATOM 899 N VAL A 58 6.976 2.271 -8.869 1.00 61.22 N ATOM 900 CA VAL A 58 6.384 3.017 -10.006 1.00 64.21 C ATOM 901 C VAL A 58 7.517 3.437 -10.947 1.00 24.11 C ATOM 902 O VAL A 58 8.635 3.615 -10.487 1.00 21.02 O ATOM 903 CB VAL A 58 5.606 4.292 -9.490 1.00 71.15 C ATOM 904 CG1 VAL A 58 6.542 5.281 -8.756 1.00 62.05 C ATOM 905 CG2 VAL A 58 4.805 4.997 -10.619 1.00 63.32 C ATOM 0 H VAL A 58 7.924 2.572 -8.643 1.00 61.22 H new ATOM 0 HA VAL A 58 5.673 2.381 -10.533 1.00 64.21 H new ATOM 0 HB VAL A 58 4.876 3.933 -8.764 1.00 71.15 H new ATOM 0 HG11 VAL A 58 5.967 6.143 -8.418 1.00 62.05 H new ATOM 0 HG12 VAL A 58 6.993 4.785 -7.896 1.00 62.05 H new ATOM 0 HG13 VAL A 58 7.327 5.612 -9.436 1.00 62.05 H new ATOM 0 HG21 VAL A 58 4.289 5.866 -10.211 1.00 63.32 H new ATOM 0 HG22 VAL A 58 5.489 5.317 -11.405 1.00 63.32 H new ATOM 0 HG23 VAL A 58 4.074 4.303 -11.034 1.00 63.32 H new ATOM 915 N ASN A 59 7.259 3.570 -12.257 1.00 51.34 N ATOM 916 CA ASN A 59 8.300 4.056 -13.190 1.00 0.51 C ATOM 917 C ASN A 59 8.643 5.532 -12.876 1.00 73.32 C ATOM 918 O ASN A 59 7.739 6.350 -12.656 1.00 70.23 O ATOM 919 CB ASN A 59 7.875 3.877 -14.674 1.00 31.42 C ATOM 920 CG ASN A 59 6.738 4.801 -15.178 1.00 44.45 C ATOM 921 OD1 ASN A 59 6.674 5.126 -16.360 1.00 34.11 O ATOM 922 ND2 ASN A 59 5.842 5.254 -14.310 1.00 0.31 N ATOM 0 H ASN A 59 6.362 3.355 -12.692 1.00 51.34 H new ATOM 0 HA ASN A 59 9.195 3.451 -13.046 1.00 0.51 H new ATOM 0 HB2 ASN A 59 8.751 4.038 -15.303 1.00 31.42 H new ATOM 0 HB3 ASN A 59 7.565 2.842 -14.819 1.00 31.42 H new ATOM 0 HD21 ASN A 59 5.096 5.875 -14.624 1.00 0.31 H new ATOM 0 HD22 ASN A 59 5.899 4.981 -13.329 1.00 0.31 H new ATOM 929 N ASP A 60 9.945 5.846 -12.788 1.00 33.40 N ATOM 930 CA ASP A 60 10.407 7.219 -12.528 1.00 22.32 C ATOM 931 C ASP A 60 10.138 8.105 -13.752 1.00 72.23 C ATOM 932 O ASP A 60 10.406 7.709 -14.893 1.00 74.45 O ATOM 933 CB ASP A 60 11.907 7.256 -12.140 1.00 75.11 C ATOM 934 CG ASP A 60 12.372 8.661 -11.684 1.00 23.50 C ATOM 935 OD1 ASP A 60 11.860 9.146 -10.648 1.00 22.15 O ATOM 936 OD2 ASP A 60 13.258 9.268 -12.337 1.00 41.20 O ATOM 0 H ASP A 60 10.698 5.166 -12.893 1.00 33.40 H new ATOM 0 HA ASP A 60 9.845 7.608 -11.679 1.00 22.32 H new ATOM 0 HB2 ASP A 60 12.088 6.540 -11.339 1.00 75.11 H new ATOM 0 HB3 ASP A 60 12.507 6.938 -12.993 1.00 75.11 H new ATOM 941 N ASP A 61 9.610 9.299 -13.494 1.00 23.42 N ATOM 942 CA ASP A 61 9.150 10.234 -14.521 1.00 72.23 C ATOM 943 C ASP A 61 9.558 11.650 -14.098 1.00 40.30 C ATOM 944 O ASP A 61 9.710 11.904 -12.903 1.00 71.23 O ATOM 945 CB ASP A 61 7.603 10.091 -14.657 1.00 42.10 C ATOM 946 CG ASP A 61 6.971 11.013 -15.715 1.00 13.30 C ATOM 947 OD1 ASP A 61 6.661 12.182 -15.398 1.00 71.01 O ATOM 948 OD2 ASP A 61 6.762 10.578 -16.867 1.00 32.51 O ATOM 0 H ASP A 61 9.487 9.652 -12.545 1.00 23.42 H new ATOM 0 HA ASP A 61 9.599 10.024 -15.492 1.00 72.23 H new ATOM 0 HB2 ASP A 61 7.366 9.057 -14.906 1.00 42.10 H new ATOM 0 HB3 ASP A 61 7.144 10.299 -13.690 1.00 42.10 H new ATOM 953 N GLN A 62 9.707 12.556 -15.079 1.00 53.42 N ATOM 954 CA GLN A 62 10.115 13.963 -14.851 1.00 61.01 C ATOM 955 C GLN A 62 9.203 14.657 -13.810 1.00 42.41 C ATOM 956 O GLN A 62 9.674 15.320 -12.885 1.00 60.34 O ATOM 957 CB GLN A 62 10.076 14.743 -16.200 1.00 43.43 C ATOM 958 CG GLN A 62 10.956 14.149 -17.324 1.00 62.23 C ATOM 959 CD GLN A 62 12.459 14.250 -17.046 1.00 3.42 C ATOM 960 OE1 GLN A 62 13.062 13.352 -16.457 1.00 70.44 O ATOM 961 NE2 GLN A 62 13.071 15.350 -17.462 1.00 4.04 N ATOM 0 H GLN A 62 9.548 12.336 -16.062 1.00 53.42 H new ATOM 0 HA GLN A 62 11.130 13.963 -14.455 1.00 61.01 H new ATOM 0 HB2 GLN A 62 9.044 14.783 -16.550 1.00 43.43 H new ATOM 0 HB3 GLN A 62 10.391 15.771 -16.017 1.00 43.43 H new ATOM 0 HG2 GLN A 62 10.691 13.101 -17.466 1.00 62.23 H new ATOM 0 HG3 GLN A 62 10.733 14.663 -18.259 1.00 62.23 H new ATOM 0 HE21 GLN A 62 12.543 16.075 -17.947 1.00 4.04 H new ATOM 0 HE22 GLN A 62 14.070 15.471 -17.297 1.00 4.04 H new ATOM 970 N ARG A 63 7.889 14.445 -13.971 1.00 72.33 N ATOM 971 CA ARG A 63 6.849 15.040 -13.110 1.00 4.21 C ATOM 972 C ARG A 63 6.706 14.242 -11.809 1.00 3.21 C ATOM 973 O ARG A 63 6.303 14.805 -10.788 1.00 5.44 O ATOM 974 CB ARG A 63 5.479 15.154 -13.846 1.00 24.34 C ATOM 975 CG ARG A 63 5.424 16.217 -14.976 1.00 43.44 C ATOM 976 CD ARG A 63 6.243 15.833 -16.226 1.00 24.21 C ATOM 977 NE ARG A 63 6.355 16.940 -17.181 1.00 21.32 N ATOM 978 CZ ARG A 63 6.976 16.879 -18.365 1.00 3.32 C ATOM 979 NH1 ARG A 63 7.555 15.752 -18.783 1.00 63.13 N ATOM 980 NH2 ARG A 63 7.020 17.961 -19.124 1.00 74.14 N ATOM 0 H ARG A 63 7.512 13.850 -14.709 1.00 72.33 H new ATOM 0 HA ARG A 63 7.167 16.053 -12.864 1.00 4.21 H new ATOM 0 HB2 ARG A 63 5.231 14.182 -14.271 1.00 24.34 H new ATOM 0 HB3 ARG A 63 4.708 15.387 -13.112 1.00 24.34 H new ATOM 0 HG2 ARG A 63 4.385 16.373 -15.266 1.00 43.44 H new ATOM 0 HG3 ARG A 63 5.792 17.167 -14.588 1.00 43.44 H new ATOM 0 HD2 ARG A 63 7.241 15.517 -15.921 1.00 24.21 H new ATOM 0 HD3 ARG A 63 5.775 14.979 -16.716 1.00 24.21 H new ATOM 0 HE ARG A 63 5.925 17.828 -16.922 1.00 21.32 H new ATOM 0 HH11 ARG A 63 7.529 14.918 -18.197 1.00 63.13 H new ATOM 0 HH12 ARG A 63 8.024 15.725 -19.689 1.00 63.13 H new ATOM 0 HH21 ARG A 63 6.584 18.826 -18.804 1.00 74.14 H new ATOM 0 HH22 ARG A 63 7.490 17.930 -20.029 1.00 74.14 H new ATOM 994 N LEU A 64 7.024 12.925 -11.859 1.00 44.43 N ATOM 995 CA LEU A 64 7.014 12.061 -10.661 1.00 35.51 C ATOM 996 C LEU A 64 8.010 12.602 -9.622 1.00 25.51 C ATOM 997 O LEU A 64 7.668 12.716 -8.458 1.00 22.33 O ATOM 998 CB LEU A 64 7.385 10.598 -11.010 1.00 25.22 C ATOM 999 CG LEU A 64 7.088 9.523 -9.897 1.00 55.20 C ATOM 1000 CD1 LEU A 64 5.681 8.908 -10.062 1.00 14.14 C ATOM 1001 CD2 LEU A 64 8.164 8.426 -9.862 1.00 71.21 C ATOM 0 H LEU A 64 7.290 12.442 -12.717 1.00 44.43 H new ATOM 0 HA LEU A 64 6.003 12.070 -10.253 1.00 35.51 H new ATOM 0 HB2 LEU A 64 6.846 10.314 -11.914 1.00 25.22 H new ATOM 0 HB3 LEU A 64 8.448 10.561 -11.248 1.00 25.22 H new ATOM 0 HG LEU A 64 7.115 10.043 -8.940 1.00 55.20 H new ATOM 0 HD11 LEU A 64 5.512 8.171 -9.277 1.00 14.14 H new ATOM 0 HD12 LEU A 64 4.930 9.694 -9.990 1.00 14.14 H new ATOM 0 HD13 LEU A 64 5.607 8.424 -11.036 1.00 14.14 H new ATOM 0 HD21 LEU A 64 7.923 7.704 -9.081 1.00 71.21 H new ATOM 0 HD22 LEU A 64 8.199 7.919 -10.826 1.00 71.21 H new ATOM 0 HD23 LEU A 64 9.135 8.875 -9.653 1.00 71.21 H new ATOM 1013 N GLU A 65 9.221 12.979 -10.098 1.00 52.21 N ATOM 1014 CA GLU A 65 10.307 13.538 -9.256 1.00 15.14 C ATOM 1015 C GLU A 65 9.850 14.811 -8.522 1.00 33.42 C ATOM 1016 O GLU A 65 10.125 14.990 -7.332 1.00 11.32 O ATOM 1017 CB GLU A 65 11.535 13.869 -10.133 1.00 32.23 C ATOM 1018 CG GLU A 65 12.083 12.682 -10.935 1.00 63.33 C ATOM 1019 CD GLU A 65 13.248 13.083 -11.841 1.00 54.00 C ATOM 1020 OE1 GLU A 65 12.993 13.575 -12.963 1.00 33.23 O ATOM 1021 OE2 GLU A 65 14.425 12.954 -11.428 1.00 64.23 O ATOM 0 H GLU A 65 9.474 12.903 -11.083 1.00 52.21 H new ATOM 0 HA GLU A 65 10.572 12.787 -8.512 1.00 15.14 H new ATOM 0 HB2 GLU A 65 11.266 14.666 -10.826 1.00 32.23 H new ATOM 0 HB3 GLU A 65 12.328 14.256 -9.494 1.00 32.23 H new ATOM 0 HG2 GLU A 65 12.412 11.903 -10.248 1.00 63.33 H new ATOM 0 HG3 GLU A 65 11.284 12.256 -11.541 1.00 63.33 H new ATOM 1028 N GLN A 66 9.138 15.672 -9.269 1.00 65.53 N ATOM 1029 CA GLN A 66 8.579 16.940 -8.758 1.00 34.24 C ATOM 1030 C GLN A 66 7.551 16.657 -7.649 1.00 2.44 C ATOM 1031 O GLN A 66 7.467 17.382 -6.657 1.00 51.44 O ATOM 1032 CB GLN A 66 7.912 17.717 -9.918 1.00 21.21 C ATOM 1033 CG GLN A 66 8.842 17.978 -11.121 1.00 21.34 C ATOM 1034 CD GLN A 66 8.103 18.498 -12.356 1.00 44.14 C ATOM 1035 OE1 GLN A 66 7.085 19.184 -12.246 1.00 70.21 O ATOM 1036 NE2 GLN A 66 8.597 18.158 -13.539 1.00 35.52 N ATOM 0 H GLN A 66 8.931 15.508 -10.254 1.00 65.53 H new ATOM 0 HA GLN A 66 9.384 17.544 -8.339 1.00 34.24 H new ATOM 0 HB2 GLN A 66 7.041 17.159 -10.261 1.00 21.21 H new ATOM 0 HB3 GLN A 66 7.549 18.673 -9.539 1.00 21.21 H new ATOM 0 HG2 GLN A 66 9.605 18.701 -10.832 1.00 21.34 H new ATOM 0 HG3 GLN A 66 9.360 17.054 -11.378 1.00 21.34 H new ATOM 0 HE21 GLN A 66 9.442 17.589 -13.595 1.00 35.52 H new ATOM 0 HE22 GLN A 66 8.132 18.466 -14.393 1.00 35.52 H new ATOM 1045 N MET A 67 6.791 15.567 -7.847 1.00 75.21 N ATOM 1046 CA MET A 67 5.755 15.106 -6.915 1.00 4.31 C ATOM 1047 C MET A 67 6.366 14.411 -5.680 1.00 61.11 C ATOM 1048 O MET A 67 5.779 14.466 -4.599 1.00 10.41 O ATOM 1049 CB MET A 67 4.747 14.193 -7.666 1.00 70.23 C ATOM 1050 CG MET A 67 3.838 14.950 -8.648 1.00 63.14 C ATOM 1051 SD MET A 67 2.567 13.899 -9.381 1.00 11.33 S ATOM 1052 CE MET A 67 1.648 15.087 -10.362 1.00 75.11 C ATOM 0 H MET A 67 6.883 14.974 -8.672 1.00 75.21 H new ATOM 0 HA MET A 67 5.213 15.972 -6.535 1.00 4.31 H new ATOM 0 HB2 MET A 67 5.300 13.429 -8.212 1.00 70.23 H new ATOM 0 HB3 MET A 67 4.126 13.675 -6.935 1.00 70.23 H new ATOM 0 HG2 MET A 67 3.360 15.780 -8.127 1.00 63.14 H new ATOM 0 HG3 MET A 67 4.448 15.381 -9.442 1.00 63.14 H new ATOM 0 HE1 MET A 67 0.663 14.682 -10.596 1.00 75.11 H new ATOM 0 HE2 MET A 67 1.535 16.014 -9.799 1.00 75.11 H new ATOM 0 HE3 MET A 67 2.186 15.288 -11.288 1.00 75.11 H new ATOM 1062 N ILE A 68 7.551 13.778 -5.845 1.00 44.11 N ATOM 1063 CA ILE A 68 8.328 13.197 -4.724 1.00 4.23 C ATOM 1064 C ILE A 68 8.811 14.336 -3.802 1.00 32.53 C ATOM 1065 O ILE A 68 8.741 14.234 -2.572 1.00 42.24 O ATOM 1066 CB ILE A 68 9.568 12.352 -5.244 1.00 34.20 C ATOM 1067 CG1 ILE A 68 9.102 11.178 -6.165 1.00 74.14 C ATOM 1068 CG2 ILE A 68 10.423 11.806 -4.070 1.00 23.00 C ATOM 1069 CD1 ILE A 68 10.210 10.491 -6.946 1.00 33.43 C ATOM 0 H ILE A 68 7.994 13.656 -6.755 1.00 44.11 H new ATOM 0 HA ILE A 68 7.680 12.517 -4.171 1.00 4.23 H new ATOM 0 HB ILE A 68 10.192 13.027 -5.829 1.00 34.20 H new ATOM 0 HG12 ILE A 68 8.597 10.433 -5.550 1.00 74.14 H new ATOM 0 HG13 ILE A 68 8.365 11.561 -6.871 1.00 74.14 H new ATOM 0 HG21 ILE A 68 11.262 11.233 -4.466 1.00 23.00 H new ATOM 0 HG22 ILE A 68 10.800 12.639 -3.477 1.00 23.00 H new ATOM 0 HG23 ILE A 68 9.809 11.162 -3.441 1.00 23.00 H new ATOM 0 HD11 ILE A 68 9.785 9.692 -7.554 1.00 33.43 H new ATOM 0 HD12 ILE A 68 10.703 11.217 -7.593 1.00 33.43 H new ATOM 0 HD13 ILE A 68 10.938 10.071 -6.252 1.00 33.43 H new ATOM 1081 N SER A 69 9.252 15.436 -4.436 1.00 71.25 N ATOM 1082 CA SER A 69 9.734 16.638 -3.746 1.00 74.44 C ATOM 1083 C SER A 69 8.575 17.378 -3.038 1.00 43.25 C ATOM 1084 O SER A 69 8.762 17.936 -1.963 1.00 63.52 O ATOM 1085 CB SER A 69 10.431 17.564 -4.765 1.00 63.02 C ATOM 1086 OG SER A 69 11.454 16.867 -5.469 1.00 5.23 O ATOM 0 H SER A 69 9.283 15.513 -5.453 1.00 71.25 H new ATOM 0 HA SER A 69 10.449 16.342 -2.978 1.00 74.44 H new ATOM 0 HB2 SER A 69 9.697 17.951 -5.472 1.00 63.02 H new ATOM 0 HB3 SER A 69 10.860 18.422 -4.248 1.00 63.02 H new ATOM 0 HG SER A 69 11.046 16.233 -6.096 1.00 5.23 H new ATOM 1092 N GLN A 70 7.382 17.353 -3.663 1.00 53.42 N ATOM 1093 CA GLN A 70 6.171 18.043 -3.170 1.00 44.32 C ATOM 1094 C GLN A 70 5.636 17.337 -1.911 1.00 53.50 C ATOM 1095 O GLN A 70 5.418 17.981 -0.873 1.00 23.24 O ATOM 1096 CB GLN A 70 5.116 18.063 -4.328 1.00 43.50 C ATOM 1097 CG GLN A 70 3.838 18.931 -4.129 1.00 42.01 C ATOM 1098 CD GLN A 70 2.786 18.328 -3.179 1.00 75.31 C ATOM 1099 OE1 GLN A 70 2.769 18.607 -1.979 1.00 32.33 O ATOM 1100 NE2 GLN A 70 1.908 17.491 -3.708 1.00 31.04 N ATOM 0 H GLN A 70 7.229 16.847 -4.535 1.00 53.42 H new ATOM 0 HA GLN A 70 6.398 19.070 -2.883 1.00 44.32 H new ATOM 0 HB2 GLN A 70 5.618 18.407 -5.233 1.00 43.50 H new ATOM 0 HB3 GLN A 70 4.799 17.036 -4.510 1.00 43.50 H new ATOM 0 HG2 GLN A 70 4.135 19.907 -3.746 1.00 42.01 H new ATOM 0 HG3 GLN A 70 3.375 19.098 -5.101 1.00 42.01 H new ATOM 0 HE21 GLN A 70 1.944 17.277 -4.705 1.00 31.04 H new ATOM 0 HE22 GLN A 70 1.195 17.060 -3.119 1.00 31.04 H new ATOM 1109 N ILE A 71 5.447 16.007 -2.014 1.00 72.21 N ATOM 1110 CA ILE A 71 4.908 15.185 -0.913 1.00 12.02 C ATOM 1111 C ILE A 71 5.889 15.154 0.279 1.00 10.13 C ATOM 1112 O ILE A 71 5.475 15.027 1.432 1.00 42.01 O ATOM 1113 CB ILE A 71 4.568 13.719 -1.384 1.00 53.34 C ATOM 1114 CG1 ILE A 71 3.766 12.962 -0.281 1.00 73.31 C ATOM 1115 CG2 ILE A 71 5.834 12.931 -1.800 1.00 20.41 C ATOM 1116 CD1 ILE A 71 3.495 11.507 -0.574 1.00 42.02 C ATOM 0 H ILE A 71 5.662 15.475 -2.857 1.00 72.21 H new ATOM 0 HA ILE A 71 3.977 15.651 -0.590 1.00 12.02 H new ATOM 0 HB ILE A 71 3.942 13.797 -2.273 1.00 53.34 H new ATOM 0 HG12 ILE A 71 4.315 13.032 0.658 1.00 73.31 H new ATOM 0 HG13 ILE A 71 2.813 13.471 -0.132 1.00 73.31 H new ATOM 0 HG21 ILE A 71 5.550 11.927 -2.117 1.00 20.41 H new ATOM 0 HG22 ILE A 71 6.328 13.445 -2.624 1.00 20.41 H new ATOM 0 HG23 ILE A 71 6.516 12.865 -0.952 1.00 20.41 H new ATOM 0 HD11 ILE A 71 2.933 11.068 0.250 1.00 42.02 H new ATOM 0 HD12 ILE A 71 2.916 11.423 -1.494 1.00 42.02 H new ATOM 0 HD13 ILE A 71 4.440 10.977 -0.691 1.00 42.02 H new ATOM 1128 N ASP A 72 7.191 15.292 -0.029 1.00 22.53 N ATOM 1129 CA ASP A 72 8.260 15.373 0.973 1.00 33.34 C ATOM 1130 C ASP A 72 8.039 16.545 1.953 1.00 50.03 C ATOM 1131 O ASP A 72 8.327 16.425 3.145 1.00 51.34 O ATOM 1132 CB ASP A 72 9.639 15.463 0.260 1.00 41.23 C ATOM 1133 CG ASP A 72 10.787 15.988 1.148 1.00 11.11 C ATOM 1134 OD1 ASP A 72 11.219 15.259 2.066 1.00 11.31 O ATOM 1135 OD2 ASP A 72 11.250 17.142 0.944 1.00 2.23 O ATOM 0 H ASP A 72 7.530 15.351 -0.989 1.00 22.53 H new ATOM 0 HA ASP A 72 8.242 14.465 1.576 1.00 33.34 H new ATOM 0 HB2 ASP A 72 9.907 14.474 -0.111 1.00 41.23 H new ATOM 0 HB3 ASP A 72 9.542 16.114 -0.609 1.00 41.23 H new ATOM 1140 N LYS A 73 7.477 17.653 1.446 1.00 40.01 N ATOM 1141 CA LYS A 73 7.275 18.884 2.240 1.00 31.32 C ATOM 1142 C LYS A 73 6.119 18.727 3.266 1.00 53.22 C ATOM 1143 O LYS A 73 5.938 19.588 4.132 1.00 13.01 O ATOM 1144 CB LYS A 73 7.022 20.103 1.299 1.00 3.31 C ATOM 1145 CG LYS A 73 7.960 20.202 0.066 1.00 43.12 C ATOM 1146 CD LYS A 73 9.475 20.164 0.401 1.00 1.43 C ATOM 1147 CE LYS A 73 9.962 21.399 1.165 1.00 11.12 C ATOM 1148 NZ LYS A 73 11.396 21.278 1.557 1.00 22.22 N ATOM 0 H LYS A 73 7.151 17.726 0.482 1.00 40.01 H new ATOM 0 HA LYS A 73 8.187 19.065 2.808 1.00 31.32 H new ATOM 0 HB2 LYS A 73 5.991 20.060 0.947 1.00 3.31 H new ATOM 0 HB3 LYS A 73 7.121 21.018 1.884 1.00 3.31 H new ATOM 0 HG2 LYS A 73 7.731 19.382 -0.615 1.00 43.12 H new ATOM 0 HG3 LYS A 73 7.742 21.128 -0.466 1.00 43.12 H new ATOM 0 HD2 LYS A 73 9.686 19.273 0.993 1.00 1.43 H new ATOM 0 HD3 LYS A 73 10.042 20.073 -0.525 1.00 1.43 H new ATOM 0 HE2 LYS A 73 9.828 22.286 0.546 1.00 11.12 H new ATOM 0 HE3 LYS A 73 9.352 21.538 2.057 1.00 11.12 H new ATOM 0 HZ1 LYS A 73 11.688 22.133 2.072 1.00 22.22 H new ATOM 0 HZ2 LYS A 73 11.520 20.446 2.169 1.00 22.22 H new ATOM 0 HZ3 LYS A 73 11.981 21.170 0.704 1.00 22.22 H new ATOM 1162 N LEU A 74 5.354 17.623 3.164 1.00 4.15 N ATOM 1163 CA LEU A 74 4.230 17.315 4.074 1.00 32.33 C ATOM 1164 C LEU A 74 4.749 16.756 5.414 1.00 34.51 C ATOM 1165 O LEU A 74 5.765 16.068 5.442 1.00 60.44 O ATOM 1166 CB LEU A 74 3.273 16.298 3.402 1.00 25.32 C ATOM 1167 CG LEU A 74 2.644 16.748 2.051 1.00 11.00 C ATOM 1168 CD1 LEU A 74 1.705 15.663 1.471 1.00 30.45 C ATOM 1169 CD2 LEU A 74 1.927 18.100 2.206 1.00 52.03 C ATOM 0 H LEU A 74 5.498 16.915 2.444 1.00 4.15 H new ATOM 0 HA LEU A 74 3.685 18.237 4.279 1.00 32.33 H new ATOM 0 HB2 LEU A 74 3.819 15.370 3.235 1.00 25.32 H new ATOM 0 HB3 LEU A 74 2.466 16.072 4.099 1.00 25.32 H new ATOM 0 HG LEU A 74 3.453 16.882 1.333 1.00 11.00 H new ATOM 0 HD11 LEU A 74 1.284 16.012 0.528 1.00 30.45 H new ATOM 0 HD12 LEU A 74 2.270 14.747 1.299 1.00 30.45 H new ATOM 0 HD13 LEU A 74 0.898 15.465 2.177 1.00 30.45 H new ATOM 0 HD21 LEU A 74 1.495 18.395 1.250 1.00 52.03 H new ATOM 0 HD22 LEU A 74 1.135 18.009 2.949 1.00 52.03 H new ATOM 0 HD23 LEU A 74 2.642 18.856 2.529 1.00 52.03 H new ATOM 1181 N GLU A 75 4.016 17.045 6.503 1.00 22.33 N ATOM 1182 CA GLU A 75 4.424 16.707 7.892 1.00 44.24 C ATOM 1183 C GLU A 75 4.142 15.231 8.237 1.00 0.41 C ATOM 1184 O GLU A 75 4.810 14.660 9.110 1.00 2.42 O ATOM 1185 CB GLU A 75 3.697 17.632 8.906 1.00 54.14 C ATOM 1186 CG GLU A 75 3.961 19.136 8.705 1.00 42.23 C ATOM 1187 CD GLU A 75 3.214 20.008 9.730 1.00 32.01 C ATOM 1188 OE1 GLU A 75 3.644 20.077 10.893 1.00 51.25 O ATOM 1189 OE2 GLU A 75 2.187 20.619 9.384 1.00 52.23 O ATOM 0 H GLU A 75 3.116 17.523 6.452 1.00 22.33 H new ATOM 0 HA GLU A 75 5.501 16.863 7.959 1.00 44.24 H new ATOM 0 HB2 GLU A 75 2.624 17.452 8.837 1.00 54.14 H new ATOM 0 HB3 GLU A 75 4.003 17.354 9.915 1.00 54.14 H new ATOM 0 HG2 GLU A 75 5.031 19.327 8.782 1.00 42.23 H new ATOM 0 HG3 GLU A 75 3.657 19.424 7.698 1.00 42.23 H new ATOM 1196 N ASP A 76 3.124 14.635 7.575 1.00 23.41 N ATOM 1197 CA ASP A 76 2.818 13.196 7.715 1.00 61.50 C ATOM 1198 C ASP A 76 3.967 12.358 7.139 1.00 30.35 C ATOM 1199 O ASP A 76 4.323 11.317 7.697 1.00 30.02 O ATOM 1200 CB ASP A 76 1.468 12.830 7.046 1.00 14.15 C ATOM 1201 CG ASP A 76 1.410 13.079 5.528 1.00 1.21 C ATOM 1202 OD1 ASP A 76 1.441 14.257 5.129 1.00 33.25 O ATOM 1203 OD2 ASP A 76 1.301 12.113 4.735 1.00 41.01 O ATOM 0 H ASP A 76 2.501 15.131 6.938 1.00 23.41 H new ATOM 0 HA ASP A 76 2.718 12.970 8.777 1.00 61.50 H new ATOM 0 HB2 ASP A 76 1.259 11.777 7.235 1.00 14.15 H new ATOM 0 HB3 ASP A 76 0.674 13.404 7.524 1.00 14.15 H new ATOM 1208 N VAL A 77 4.536 12.838 6.020 1.00 11.42 N ATOM 1209 CA VAL A 77 5.816 12.362 5.511 1.00 50.12 C ATOM 1210 C VAL A 77 6.945 12.830 6.467 1.00 21.03 C ATOM 1211 O VAL A 77 7.181 14.030 6.648 1.00 74.32 O ATOM 1212 CB VAL A 77 6.065 12.855 4.025 1.00 75.15 C ATOM 1213 CG1 VAL A 77 7.560 12.825 3.646 1.00 73.43 C ATOM 1214 CG2 VAL A 77 5.271 12.000 3.009 1.00 24.23 C ATOM 0 H VAL A 77 4.113 13.569 5.448 1.00 11.42 H new ATOM 0 HA VAL A 77 5.809 11.273 5.478 1.00 50.12 H new ATOM 0 HB VAL A 77 5.716 13.887 3.984 1.00 75.15 H new ATOM 0 HG11 VAL A 77 7.682 13.171 2.620 1.00 73.43 H new ATOM 0 HG12 VAL A 77 8.119 13.477 4.318 1.00 73.43 H new ATOM 0 HG13 VAL A 77 7.937 11.806 3.733 1.00 73.43 H new ATOM 0 HG21 VAL A 77 5.463 12.363 1.999 1.00 24.23 H new ATOM 0 HG22 VAL A 77 5.585 10.959 3.086 1.00 24.23 H new ATOM 0 HG23 VAL A 77 4.205 12.075 3.225 1.00 24.23 H new ATOM 1224 N VAL A 78 7.573 11.853 7.122 1.00 73.44 N ATOM 1225 CA VAL A 78 8.766 12.053 7.963 1.00 14.24 C ATOM 1226 C VAL A 78 10.039 12.079 7.068 1.00 1.35 C ATOM 1227 O VAL A 78 10.961 12.873 7.298 1.00 42.30 O ATOM 1228 CB VAL A 78 8.884 10.909 9.055 1.00 14.43 C ATOM 1229 CG1 VAL A 78 9.941 11.249 10.136 1.00 14.34 C ATOM 1230 CG2 VAL A 78 7.508 10.610 9.704 1.00 3.44 C ATOM 0 H VAL A 78 7.266 10.881 7.086 1.00 73.44 H new ATOM 0 HA VAL A 78 8.672 13.007 8.482 1.00 14.24 H new ATOM 0 HB VAL A 78 9.221 10.009 8.540 1.00 14.43 H new ATOM 0 HG11 VAL A 78 9.990 10.440 10.864 1.00 14.34 H new ATOM 0 HG12 VAL A 78 10.916 11.373 9.665 1.00 14.34 H new ATOM 0 HG13 VAL A 78 9.661 12.174 10.640 1.00 14.34 H new ATOM 0 HG21 VAL A 78 7.620 9.822 10.448 1.00 3.44 H new ATOM 0 HG22 VAL A 78 7.129 11.512 10.185 1.00 3.44 H new ATOM 0 HG23 VAL A 78 6.806 10.286 8.936 1.00 3.44 H new ATOM 1240 N LYS A 79 10.059 11.189 6.044 1.00 4.12 N ATOM 1241 CA LYS A 79 11.191 11.015 5.089 1.00 1.01 C ATOM 1242 C LYS A 79 10.649 10.610 3.702 1.00 21.12 C ATOM 1243 O LYS A 79 9.543 10.077 3.605 1.00 44.42 O ATOM 1244 CB LYS A 79 12.181 9.894 5.541 1.00 3.34 C ATOM 1245 CG LYS A 79 12.819 10.069 6.931 1.00 41.43 C ATOM 1246 CD LYS A 79 13.624 8.821 7.372 1.00 32.44 C ATOM 1247 CE LYS A 79 14.211 8.961 8.786 1.00 10.33 C ATOM 1248 NZ LYS A 79 15.157 10.095 8.892 1.00 4.14 N ATOM 0 H LYS A 79 9.279 10.561 5.853 1.00 4.12 H new ATOM 0 HA LYS A 79 11.718 11.969 5.055 1.00 1.01 H new ATOM 0 HB2 LYS A 79 11.650 8.942 5.525 1.00 3.34 H new ATOM 0 HB3 LYS A 79 12.981 9.826 4.803 1.00 3.34 H new ATOM 0 HG2 LYS A 79 13.478 10.937 6.919 1.00 41.43 H new ATOM 0 HG3 LYS A 79 12.038 10.272 7.664 1.00 41.43 H new ATOM 0 HD2 LYS A 79 12.976 7.945 7.337 1.00 32.44 H new ATOM 0 HD3 LYS A 79 14.433 8.647 6.663 1.00 32.44 H new ATOM 0 HE2 LYS A 79 13.400 9.099 9.501 1.00 10.33 H new ATOM 0 HE3 LYS A 79 14.722 8.038 9.058 1.00 10.33 H new ATOM 0 HZ1 LYS A 79 15.590 10.098 9.837 1.00 4.14 H new ATOM 0 HZ2 LYS A 79 15.900 9.996 8.171 1.00 4.14 H new ATOM 0 HZ3 LYS A 79 14.646 10.988 8.742 1.00 4.14 H new ATOM 1262 N VAL A 80 11.429 10.902 2.648 1.00 35.10 N ATOM 1263 CA VAL A 80 11.256 10.316 1.293 1.00 10.22 C ATOM 1264 C VAL A 80 12.653 9.880 0.769 1.00 30.01 C ATOM 1265 O VAL A 80 13.678 10.460 1.157 1.00 33.51 O ATOM 1266 CB VAL A 80 10.582 11.314 0.261 1.00 42.24 C ATOM 1267 CG1 VAL A 80 9.182 11.760 0.714 1.00 75.24 C ATOM 1268 CG2 VAL A 80 11.506 12.508 -0.015 1.00 43.40 C ATOM 0 H VAL A 80 12.208 11.558 2.705 1.00 35.10 H new ATOM 0 HA VAL A 80 10.580 9.465 1.380 1.00 10.22 H new ATOM 0 HB VAL A 80 10.439 10.777 -0.677 1.00 42.24 H new ATOM 0 HG11 VAL A 80 8.761 12.442 -0.024 1.00 75.24 H new ATOM 0 HG12 VAL A 80 8.536 10.887 0.812 1.00 75.24 H new ATOM 0 HG13 VAL A 80 9.255 12.267 1.676 1.00 75.24 H new ATOM 0 HG21 VAL A 80 11.027 13.182 -0.725 1.00 43.40 H new ATOM 0 HG22 VAL A 80 11.701 13.040 0.916 1.00 43.40 H new ATOM 0 HG23 VAL A 80 12.447 12.151 -0.432 1.00 43.40 H new ATOM 1278 N GLN A 81 12.692 8.848 -0.078 1.00 43.03 N ATOM 1279 CA GLN A 81 13.939 8.312 -0.651 1.00 20.33 C ATOM 1280 C GLN A 81 13.629 7.656 -2.009 1.00 23.13 C ATOM 1281 O GLN A 81 12.532 7.122 -2.210 1.00 22.13 O ATOM 1282 CB GLN A 81 14.595 7.314 0.356 1.00 63.11 C ATOM 1283 CG GLN A 81 15.905 6.662 -0.125 1.00 64.12 C ATOM 1284 CD GLN A 81 16.594 5.756 0.907 1.00 10.40 C ATOM 1285 OE1 GLN A 81 17.819 5.629 0.913 1.00 3.14 O ATOM 1286 NE2 GLN A 81 15.827 5.111 1.780 1.00 52.43 N ATOM 0 H GLN A 81 11.856 8.354 -0.390 1.00 43.03 H new ATOM 0 HA GLN A 81 14.657 9.114 -0.824 1.00 20.33 H new ATOM 0 HB2 GLN A 81 14.792 7.842 1.289 1.00 63.11 H new ATOM 0 HB3 GLN A 81 13.877 6.525 0.581 1.00 63.11 H new ATOM 0 HG2 GLN A 81 15.695 6.075 -1.019 1.00 64.12 H new ATOM 0 HG3 GLN A 81 16.600 7.449 -0.417 1.00 64.12 H new ATOM 0 HE21 GLN A 81 14.814 5.232 1.756 1.00 52.43 H new ATOM 0 HE22 GLN A 81 16.251 4.495 2.474 1.00 52.43 H new ATOM 1295 N ARG A 82 14.591 7.722 -2.944 1.00 43.52 N ATOM 1296 CA ARG A 82 14.418 7.237 -4.324 1.00 74.33 C ATOM 1297 C ARG A 82 15.434 6.115 -4.613 1.00 20.52 C ATOM 1298 O ARG A 82 16.561 6.376 -5.053 1.00 13.53 O ATOM 1299 CB ARG A 82 14.597 8.417 -5.315 1.00 4.05 C ATOM 1300 CG ARG A 82 13.590 9.575 -5.126 1.00 60.34 C ATOM 1301 CD ARG A 82 13.872 10.759 -6.064 1.00 64.42 C ATOM 1302 NE ARG A 82 13.932 10.326 -7.469 1.00 55.13 N ATOM 1303 CZ ARG A 82 14.294 11.084 -8.508 1.00 23.41 C ATOM 1304 NH1 ARG A 82 14.639 12.360 -8.345 1.00 70.33 N ATOM 1305 NH2 ARG A 82 14.301 10.549 -9.722 1.00 2.21 N ATOM 0 H ARG A 82 15.515 8.115 -2.763 1.00 43.52 H new ATOM 0 HA ARG A 82 13.415 6.830 -4.448 1.00 74.33 H new ATOM 0 HB2 ARG A 82 15.608 8.811 -5.211 1.00 4.05 H new ATOM 0 HB3 ARG A 82 14.506 8.037 -6.332 1.00 4.05 H new ATOM 0 HG2 ARG A 82 12.580 9.207 -5.305 1.00 60.34 H new ATOM 0 HG3 ARG A 82 13.626 9.918 -4.092 1.00 60.34 H new ATOM 0 HD2 ARG A 82 13.093 11.512 -5.946 1.00 64.42 H new ATOM 0 HD3 ARG A 82 14.815 11.230 -5.786 1.00 64.42 H new ATOM 0 HE ARG A 82 13.674 9.359 -7.668 1.00 55.13 H new ATOM 0 HH11 ARG A 82 14.630 12.776 -7.414 1.00 70.33 H new ATOM 0 HH12 ARG A 82 14.912 12.921 -9.152 1.00 70.33 H new ATOM 0 HH21 ARG A 82 14.033 9.573 -9.851 1.00 2.21 H new ATOM 0 HH22 ARG A 82 14.575 11.113 -10.526 1.00 2.21 H new ATOM 1319 N ASN A 83 15.033 4.872 -4.324 1.00 1.11 N ATOM 1320 CA ASN A 83 15.871 3.672 -4.528 1.00 33.50 C ATOM 1321 C ASN A 83 15.531 3.037 -5.884 1.00 61.32 C ATOM 1322 O ASN A 83 14.427 3.225 -6.398 1.00 73.11 O ATOM 1323 CB ASN A 83 15.642 2.640 -3.393 1.00 40.03 C ATOM 1324 CG ASN A 83 15.890 3.206 -1.996 1.00 24.40 C ATOM 1325 OD1 ASN A 83 14.978 3.732 -1.364 1.00 51.24 O ATOM 1326 ND2 ASN A 83 17.123 3.119 -1.507 1.00 73.22 N ATOM 0 H ASN A 83 14.112 4.663 -3.939 1.00 1.11 H new ATOM 0 HA ASN A 83 16.919 3.971 -4.513 1.00 33.50 H new ATOM 0 HB2 ASN A 83 14.618 2.270 -3.450 1.00 40.03 H new ATOM 0 HB3 ASN A 83 16.299 1.785 -3.552 1.00 40.03 H new ATOM 0 HD21 ASN A 83 17.333 3.495 -0.582 1.00 73.22 H new ATOM 0 HD22 ASN A 83 17.859 2.676 -2.056 1.00 73.22 H new ATOM 1333 N GLN A 84 16.498 2.321 -6.477 1.00 43.45 N ATOM 1334 CA GLN A 84 16.275 1.520 -7.707 1.00 61.52 C ATOM 1335 C GLN A 84 15.810 0.106 -7.313 1.00 43.23 C ATOM 1336 O GLN A 84 16.153 -0.387 -6.233 1.00 22.31 O ATOM 1337 CB GLN A 84 17.561 1.457 -8.589 1.00 3.22 C ATOM 1338 CG GLN A 84 17.896 2.760 -9.365 1.00 13.03 C ATOM 1339 CD GLN A 84 18.188 3.978 -8.474 1.00 62.00 C ATOM 1340 OE1 GLN A 84 19.326 4.210 -8.067 1.00 73.42 O ATOM 1341 NE2 GLN A 84 17.168 4.775 -8.178 1.00 1.22 N ATOM 0 H GLN A 84 17.455 2.276 -6.126 1.00 43.45 H new ATOM 0 HA GLN A 84 15.501 2.002 -8.304 1.00 61.52 H new ATOM 0 HB2 GLN A 84 18.408 1.206 -7.951 1.00 3.22 H new ATOM 0 HB3 GLN A 84 17.450 0.644 -9.307 1.00 3.22 H new ATOM 0 HG2 GLN A 84 18.762 2.576 -10.001 1.00 13.03 H new ATOM 0 HG3 GLN A 84 17.061 3.000 -10.024 1.00 13.03 H new ATOM 0 HE21 GLN A 84 16.234 4.560 -8.528 1.00 1.22 H new ATOM 0 HE22 GLN A 84 17.318 5.602 -7.601 1.00 1.22 H new ATOM 1350 N SER A 85 15.020 -0.537 -8.192 1.00 53.40 N ATOM 1351 CA SER A 85 14.316 -1.791 -7.856 1.00 61.10 C ATOM 1352 C SER A 85 15.222 -3.025 -7.927 1.00 55.22 C ATOM 1353 O SER A 85 16.219 -3.039 -8.654 1.00 51.13 O ATOM 1354 CB SER A 85 13.068 -1.950 -8.734 1.00 20.20 C ATOM 1355 OG SER A 85 12.259 -3.042 -8.318 1.00 4.14 O ATOM 0 H SER A 85 14.852 -0.209 -9.143 1.00 53.40 H new ATOM 0 HA SER A 85 14.003 -1.717 -6.815 1.00 61.10 H new ATOM 0 HB2 SER A 85 12.482 -1.032 -8.701 1.00 20.20 H new ATOM 0 HB3 SER A 85 13.371 -2.097 -9.771 1.00 20.20 H new ATOM 0 HG SER A 85 11.330 -2.744 -8.226 1.00 4.14 H new ATOM 1361 N ASP A 86 14.839 -4.060 -7.156 1.00 53.31 N ATOM 1362 CA ASP A 86 15.661 -5.254 -6.910 1.00 43.03 C ATOM 1363 C ASP A 86 14.718 -6.474 -6.705 1.00 43.15 C ATOM 1364 O ASP A 86 13.682 -6.331 -6.042 1.00 42.31 O ATOM 1365 CB ASP A 86 16.536 -4.990 -5.645 1.00 4.11 C ATOM 1366 CG ASP A 86 17.645 -6.031 -5.407 1.00 33.25 C ATOM 1367 OD1 ASP A 86 17.333 -7.174 -5.032 1.00 3.04 O ATOM 1368 OD2 ASP A 86 18.842 -5.711 -5.606 1.00 51.21 O ATOM 0 H ASP A 86 13.937 -4.088 -6.681 1.00 53.31 H new ATOM 0 HA ASP A 86 16.318 -5.468 -7.753 1.00 43.03 H new ATOM 0 HB2 ASP A 86 16.993 -4.005 -5.734 1.00 4.11 H new ATOM 0 HB3 ASP A 86 15.887 -4.962 -4.769 1.00 4.11 H new ATOM 1373 N PRO A 87 15.037 -7.683 -7.280 1.00 31.34 N ATOM 1374 CA PRO A 87 14.204 -8.914 -7.108 1.00 41.12 C ATOM 1375 C PRO A 87 14.055 -9.372 -5.634 1.00 5.52 C ATOM 1376 O PRO A 87 12.974 -9.805 -5.212 1.00 45.30 O ATOM 1377 CB PRO A 87 14.957 -9.982 -7.951 1.00 33.21 C ATOM 1378 CG PRO A 87 15.768 -9.186 -8.931 1.00 4.31 C ATOM 1379 CD PRO A 87 16.193 -7.944 -8.180 1.00 22.33 C ATOM 0 HA PRO A 87 13.176 -8.741 -7.427 1.00 41.12 H new ATOM 0 HB2 PRO A 87 15.594 -10.606 -7.324 1.00 33.21 H new ATOM 0 HB3 PRO A 87 14.261 -10.648 -8.461 1.00 33.21 H new ATOM 0 HG2 PRO A 87 16.633 -9.752 -9.277 1.00 4.31 H new ATOM 0 HG3 PRO A 87 15.180 -8.931 -9.813 1.00 4.31 H new ATOM 0 HD2 PRO A 87 17.113 -8.107 -7.618 1.00 22.33 H new ATOM 0 HD3 PRO A 87 16.376 -7.108 -8.855 1.00 22.33 H new ATOM 1387 N THR A 88 15.149 -9.261 -4.859 1.00 2.15 N ATOM 1388 CA THR A 88 15.199 -9.728 -3.450 1.00 21.31 C ATOM 1389 C THR A 88 14.695 -8.652 -2.468 1.00 53.51 C ATOM 1390 O THR A 88 14.606 -8.929 -1.267 1.00 43.12 O ATOM 1391 CB THR A 88 16.652 -10.174 -3.036 1.00 14.53 C ATOM 1392 OG1 THR A 88 17.517 -9.036 -2.905 1.00 51.12 O ATOM 1393 CG2 THR A 88 17.271 -11.151 -4.054 1.00 74.53 C ATOM 0 H THR A 88 16.023 -8.848 -5.184 1.00 2.15 H new ATOM 0 HA THR A 88 14.535 -10.590 -3.392 1.00 21.31 H new ATOM 0 HB THR A 88 16.558 -10.683 -2.077 1.00 14.53 H new ATOM 0 HG1 THR A 88 17.385 -8.435 -3.668 1.00 51.12 H new ATOM 0 HG21 THR A 88 18.272 -11.431 -3.727 1.00 74.53 H new ATOM 0 HG22 THR A 88 16.650 -12.044 -4.126 1.00 74.53 H new ATOM 0 HG23 THR A 88 17.329 -10.670 -5.031 1.00 74.53 H new ATOM 1401 N MET A 89 14.338 -7.454 -2.998 1.00 15.13 N ATOM 1402 CA MET A 89 14.043 -6.248 -2.196 1.00 51.42 C ATOM 1403 C MET A 89 12.955 -6.514 -1.129 1.00 24.12 C ATOM 1404 O MET A 89 13.219 -6.313 0.057 1.00 2.44 O ATOM 1405 CB MET A 89 13.639 -5.064 -3.128 1.00 1.13 C ATOM 1406 CG MET A 89 13.761 -3.667 -2.492 1.00 32.51 C ATOM 1407 SD MET A 89 12.592 -3.379 -1.143 1.00 51.22 S ATOM 1408 CE MET A 89 13.352 -1.989 -0.299 1.00 13.02 C ATOM 0 H MET A 89 14.247 -7.301 -4.002 1.00 15.13 H new ATOM 0 HA MET A 89 14.952 -5.975 -1.659 1.00 51.42 H new ATOM 0 HB2 MET A 89 14.262 -5.096 -4.022 1.00 1.13 H new ATOM 0 HB3 MET A 89 12.609 -5.211 -3.452 1.00 1.13 H new ATOM 0 HG2 MET A 89 14.776 -3.536 -2.116 1.00 32.51 H new ATOM 0 HG3 MET A 89 13.606 -2.912 -3.263 1.00 32.51 H new ATOM 0 HE1 MET A 89 12.577 -1.369 0.151 1.00 13.02 H new ATOM 0 HE2 MET A 89 14.020 -2.357 0.480 1.00 13.02 H new ATOM 0 HE3 MET A 89 13.921 -1.396 -1.015 1.00 13.02 H new ATOM 1418 N PHE A 90 11.772 -7.027 -1.565 1.00 0.40 N ATOM 1419 CA PHE A 90 10.612 -7.308 -0.672 1.00 33.33 C ATOM 1420 C PHE A 90 11.003 -8.183 0.541 1.00 44.23 C ATOM 1421 O PHE A 90 10.679 -7.848 1.685 1.00 24.13 O ATOM 1422 CB PHE A 90 9.451 -7.986 -1.458 1.00 61.51 C ATOM 1423 CG PHE A 90 8.675 -7.054 -2.396 1.00 42.05 C ATOM 1424 CD1 PHE A 90 7.598 -6.294 -1.917 1.00 41.33 C ATOM 1425 CD2 PHE A 90 9.007 -6.940 -3.751 1.00 22.13 C ATOM 1426 CE1 PHE A 90 6.880 -5.464 -2.758 1.00 44.54 C ATOM 1427 CE2 PHE A 90 8.287 -6.106 -4.586 1.00 74.03 C ATOM 1428 CZ PHE A 90 7.226 -5.367 -4.088 1.00 23.12 C ATOM 0 H PHE A 90 11.595 -7.257 -2.543 1.00 0.40 H new ATOM 0 HA PHE A 90 10.273 -6.344 -0.293 1.00 33.33 H new ATOM 0 HB2 PHE A 90 9.861 -8.809 -2.044 1.00 61.51 H new ATOM 0 HB3 PHE A 90 8.753 -8.421 -0.743 1.00 61.51 H new ATOM 0 HD1 PHE A 90 7.325 -6.358 -0.874 1.00 41.33 H new ATOM 0 HD2 PHE A 90 9.834 -7.509 -4.148 1.00 22.13 H new ATOM 0 HE1 PHE A 90 6.049 -4.892 -2.373 1.00 44.54 H new ATOM 0 HE2 PHE A 90 8.552 -6.030 -5.630 1.00 74.03 H new ATOM 0 HZ PHE A 90 6.669 -4.714 -4.744 1.00 23.12 H new ATOM 1438 N ASN A 91 11.738 -9.275 0.269 1.00 25.35 N ATOM 1439 CA ASN A 91 12.194 -10.230 1.302 1.00 14.41 C ATOM 1440 C ASN A 91 13.237 -9.567 2.227 1.00 3.42 C ATOM 1441 O ASN A 91 13.206 -9.758 3.454 1.00 20.43 O ATOM 1442 CB ASN A 91 12.790 -11.487 0.613 1.00 64.54 C ATOM 1443 CG ASN A 91 13.259 -12.572 1.598 1.00 23.22 C ATOM 1444 OD1 ASN A 91 12.495 -13.458 1.976 1.00 31.45 O ATOM 1445 ND2 ASN A 91 14.516 -12.510 2.019 1.00 51.14 N ATOM 0 H ASN A 91 12.035 -9.524 -0.675 1.00 25.35 H new ATOM 0 HA ASN A 91 11.345 -10.530 1.916 1.00 14.41 H new ATOM 0 HB2 ASN A 91 12.041 -11.914 -0.054 1.00 64.54 H new ATOM 0 HB3 ASN A 91 13.633 -11.184 -0.008 1.00 64.54 H new ATOM 0 HD21 ASN A 91 14.870 -13.209 2.673 1.00 51.14 H new ATOM 0 HD22 ASN A 91 15.128 -11.764 1.689 1.00 51.14 H new ATOM 1452 N LYS A 92 14.126 -8.765 1.596 1.00 71.23 N ATOM 1453 CA LYS A 92 15.258 -8.083 2.256 1.00 0.45 C ATOM 1454 C LYS A 92 14.815 -7.300 3.507 1.00 41.32 C ATOM 1455 O LYS A 92 15.313 -7.552 4.608 1.00 4.34 O ATOM 1456 CB LYS A 92 15.960 -7.135 1.242 1.00 1.54 C ATOM 1457 CG LYS A 92 17.274 -6.493 1.733 1.00 4.43 C ATOM 1458 CD LYS A 92 17.839 -5.470 0.716 1.00 43.21 C ATOM 1459 CE LYS A 92 19.264 -4.998 1.066 1.00 12.41 C ATOM 1460 NZ LYS A 92 20.264 -6.097 0.935 1.00 64.44 N ATOM 0 H LYS A 92 14.073 -8.572 0.596 1.00 71.23 H new ATOM 0 HA LYS A 92 15.960 -8.847 2.590 1.00 0.45 H new ATOM 0 HB2 LYS A 92 16.168 -7.696 0.331 1.00 1.54 H new ATOM 0 HB3 LYS A 92 15.265 -6.339 0.974 1.00 1.54 H new ATOM 0 HG2 LYS A 92 17.100 -5.996 2.687 1.00 4.43 H new ATOM 0 HG3 LYS A 92 18.014 -7.273 1.911 1.00 4.43 H new ATOM 0 HD2 LYS A 92 17.844 -5.919 -0.277 1.00 43.21 H new ATOM 0 HD3 LYS A 92 17.176 -4.606 0.672 1.00 43.21 H new ATOM 0 HE2 LYS A 92 19.544 -4.173 0.411 1.00 12.41 H new ATOM 0 HE3 LYS A 92 19.279 -4.614 2.086 1.00 12.41 H new ATOM 0 HZ1 LYS A 92 21.223 -5.707 1.029 1.00 64.44 H new ATOM 0 HZ2 LYS A 92 20.103 -6.804 1.681 1.00 64.44 H new ATOM 0 HZ3 LYS A 92 20.164 -6.548 0.003 1.00 64.44 H new ATOM 1474 N ILE A 93 13.871 -6.361 3.334 1.00 51.44 N ATOM 1475 CA ILE A 93 13.399 -5.516 4.451 1.00 71.25 C ATOM 1476 C ILE A 93 12.331 -6.219 5.311 1.00 4.23 C ATOM 1477 O ILE A 93 12.181 -5.877 6.488 1.00 72.32 O ATOM 1478 CB ILE A 93 12.886 -4.099 4.009 1.00 0.32 C ATOM 1479 CG1 ILE A 93 11.519 -4.150 3.253 1.00 15.54 C ATOM 1480 CG2 ILE A 93 13.964 -3.359 3.173 1.00 43.12 C ATOM 1481 CD1 ILE A 93 11.550 -4.658 1.845 1.00 14.32 C ATOM 0 H ILE A 93 13.420 -6.166 2.440 1.00 51.44 H new ATOM 0 HA ILE A 93 14.289 -5.356 5.060 1.00 71.25 H new ATOM 0 HB ILE A 93 12.705 -3.534 4.923 1.00 0.32 H new ATOM 0 HG12 ILE A 93 10.836 -4.777 3.826 1.00 15.54 H new ATOM 0 HG13 ILE A 93 11.097 -3.145 3.243 1.00 15.54 H new ATOM 0 HG21 ILE A 93 13.587 -2.380 2.878 1.00 43.12 H new ATOM 0 HG22 ILE A 93 14.867 -3.235 3.771 1.00 43.12 H new ATOM 0 HG23 ILE A 93 14.197 -3.942 2.282 1.00 43.12 H new ATOM 0 HD11 ILE A 93 10.542 -4.644 1.431 1.00 14.32 H new ATOM 0 HD12 ILE A 93 12.198 -4.021 1.243 1.00 14.32 H new ATOM 0 HD13 ILE A 93 11.933 -5.679 1.835 1.00 14.32 H new ATOM 1493 N ALA A 94 11.566 -7.161 4.708 1.00 2.44 N ATOM 1494 CA ALA A 94 10.501 -7.910 5.422 1.00 54.50 C ATOM 1495 C ALA A 94 11.042 -8.629 6.673 1.00 3.44 C ATOM 1496 O ALA A 94 10.389 -8.638 7.722 1.00 31.54 O ATOM 1497 CB ALA A 94 9.827 -8.915 4.480 1.00 40.13 C ATOM 0 H ALA A 94 11.666 -7.421 3.727 1.00 2.44 H new ATOM 0 HA ALA A 94 9.761 -7.183 5.756 1.00 54.50 H new ATOM 0 HB1 ALA A 94 9.049 -9.455 5.020 1.00 40.13 H new ATOM 0 HB2 ALA A 94 9.382 -8.383 3.639 1.00 40.13 H new ATOM 0 HB3 ALA A 94 10.570 -9.622 4.111 1.00 40.13 H new ATOM 1503 N VAL A 95 12.254 -9.204 6.549 1.00 70.42 N ATOM 1504 CA VAL A 95 12.922 -9.895 7.671 1.00 15.42 C ATOM 1505 C VAL A 95 13.495 -8.887 8.705 1.00 13.14 C ATOM 1506 O VAL A 95 13.707 -9.240 9.868 1.00 41.24 O ATOM 1507 CB VAL A 95 14.055 -10.862 7.161 1.00 24.15 C ATOM 1508 CG1 VAL A 95 13.509 -11.842 6.098 1.00 34.40 C ATOM 1509 CG2 VAL A 95 15.270 -10.087 6.616 1.00 63.41 C ATOM 0 H VAL A 95 12.792 -9.204 5.682 1.00 70.42 H new ATOM 0 HA VAL A 95 12.162 -10.495 8.170 1.00 15.42 H new ATOM 0 HB VAL A 95 14.395 -11.440 8.020 1.00 24.15 H new ATOM 0 HG11 VAL A 95 14.312 -12.499 5.762 1.00 34.40 H new ATOM 0 HG12 VAL A 95 12.708 -12.440 6.532 1.00 34.40 H new ATOM 0 HG13 VAL A 95 13.122 -11.279 5.249 1.00 34.40 H new ATOM 0 HG21 VAL A 95 16.028 -10.792 6.275 1.00 63.41 H new ATOM 0 HG22 VAL A 95 14.957 -9.459 5.782 1.00 63.41 H new ATOM 0 HG23 VAL A 95 15.686 -9.461 7.405 1.00 63.41 H new ATOM 1519 N PHE A 96 13.755 -7.637 8.257 1.00 45.03 N ATOM 1520 CA PHE A 96 14.257 -6.548 9.131 1.00 31.12 C ATOM 1521 C PHE A 96 13.123 -5.965 9.997 1.00 4.03 C ATOM 1522 O PHE A 96 13.391 -5.369 11.045 1.00 75.21 O ATOM 1523 CB PHE A 96 14.923 -5.417 8.289 1.00 44.11 C ATOM 1524 CG PHE A 96 16.180 -5.826 7.506 1.00 50.45 C ATOM 1525 CD1 PHE A 96 16.966 -6.916 7.901 1.00 44.12 C ATOM 1526 CD2 PHE A 96 16.584 -5.107 6.374 1.00 42.23 C ATOM 1527 CE1 PHE A 96 18.101 -7.268 7.197 1.00 53.44 C ATOM 1528 CE2 PHE A 96 17.724 -5.465 5.671 1.00 64.41 C ATOM 1529 CZ PHE A 96 18.477 -6.546 6.081 1.00 32.14 C ATOM 0 H PHE A 96 13.624 -7.355 7.286 1.00 45.03 H new ATOM 0 HA PHE A 96 15.010 -6.978 9.791 1.00 31.12 H new ATOM 0 HB2 PHE A 96 14.187 -5.032 7.584 1.00 44.11 H new ATOM 0 HB3 PHE A 96 15.184 -4.596 8.957 1.00 44.11 H new ATOM 0 HD1 PHE A 96 16.680 -7.490 8.770 1.00 44.12 H new ATOM 0 HD2 PHE A 96 15.999 -4.261 6.044 1.00 42.23 H new ATOM 0 HE1 PHE A 96 18.696 -8.110 7.520 1.00 53.44 H new ATOM 0 HE2 PHE A 96 18.023 -4.897 4.802 1.00 64.41 H new ATOM 0 HZ PHE A 96 19.361 -6.828 5.529 1.00 32.14 H new ATOM 1539 N PHE A 97 11.866 -6.109 9.506 1.00 30.23 N ATOM 1540 CA PHE A 97 10.589 -5.733 10.198 1.00 74.52 C ATOM 1541 C PHE A 97 10.500 -4.259 10.704 1.00 3.42 C ATOM 1542 O PHE A 97 9.497 -3.885 11.330 1.00 53.51 O ATOM 1543 CB PHE A 97 10.179 -6.770 11.311 1.00 35.25 C ATOM 1544 CG PHE A 97 11.100 -6.876 12.539 1.00 43.14 C ATOM 1545 CD1 PHE A 97 11.002 -5.967 13.597 1.00 14.33 C ATOM 1546 CD2 PHE A 97 12.057 -7.891 12.637 1.00 32.11 C ATOM 1547 CE1 PHE A 97 11.830 -6.063 14.699 1.00 54.12 C ATOM 1548 CE2 PHE A 97 12.885 -7.983 13.740 1.00 64.41 C ATOM 1549 CZ PHE A 97 12.768 -7.072 14.771 1.00 12.43 C ATOM 0 H PHE A 97 11.699 -6.505 8.581 1.00 30.23 H new ATOM 0 HA PHE A 97 9.844 -5.782 9.404 1.00 74.52 H new ATOM 0 HB2 PHE A 97 9.178 -6.516 11.659 1.00 35.25 H new ATOM 0 HB3 PHE A 97 10.115 -7.755 10.849 1.00 35.25 H new ATOM 0 HD1 PHE A 97 10.267 -5.177 13.552 1.00 14.33 H new ATOM 0 HD2 PHE A 97 12.150 -8.613 11.840 1.00 32.11 H new ATOM 0 HE1 PHE A 97 11.743 -5.348 15.504 1.00 54.12 H new ATOM 0 HE2 PHE A 97 13.624 -8.768 13.795 1.00 64.41 H new ATOM 0 HZ PHE A 97 13.412 -7.149 15.635 1.00 12.43 H new ATOM 1559 N GLN A 98 11.522 -3.425 10.402 1.00 70.14 N ATOM 1560 CA GLN A 98 11.557 -1.996 10.760 1.00 52.44 C ATOM 1561 C GLN A 98 12.189 -1.209 9.580 1.00 1.40 C ATOM 1562 O GLN A 98 11.443 -0.783 8.672 1.00 61.41 O ATOM 1563 CB GLN A 98 12.339 -1.753 12.094 1.00 22.12 C ATOM 1564 CG GLN A 98 11.716 -2.394 13.345 1.00 72.43 C ATOM 1565 CD GLN A 98 12.513 -2.134 14.620 1.00 64.22 C ATOM 1566 OE1 GLN A 98 12.263 -1.167 15.342 1.00 41.43 O ATOM 1567 NE2 GLN A 98 13.504 -2.978 14.888 1.00 11.00 N ATOM 1568 OXT GLN A 98 13.432 -1.056 9.535 1.00 37.97 O ATOM 0 H GLN A 98 12.353 -3.733 9.897 1.00 70.14 H new ATOM 0 HA GLN A 98 10.541 -1.642 10.933 1.00 52.44 H new ATOM 0 HB2 GLN A 98 13.353 -2.135 11.977 1.00 22.12 H new ATOM 0 HB3 GLN A 98 12.420 -0.678 12.258 1.00 22.12 H new ATOM 0 HG2 GLN A 98 10.703 -2.012 13.474 1.00 72.43 H new ATOM 0 HG3 GLN A 98 11.633 -3.470 13.190 1.00 72.43 H new ATOM 0 HE21 GLN A 98 13.683 -3.768 14.268 1.00 11.00 H new ATOM 0 HE22 GLN A 98 14.086 -2.836 15.714 1.00 11.00 H new TER 1577 GLN A 98 ATOM 1578 N GLY B 1 -9.613 -4.124 18.548 1.00 31.45 N ATOM 1579 CA GLY B 1 -9.594 -2.657 18.422 1.00 30.45 C ATOM 1580 C GLY B 1 -8.601 -1.985 19.355 1.00 24.22 C ATOM 1581 O GLY B 1 -8.994 -1.305 20.311 1.00 64.40 O ATOM 0 H1 GLY B 1 -9.787 -4.550 17.615 1.00 31.45 H new ATOM 0 H2 GLY B 1 -8.697 -4.453 18.914 1.00 31.45 H new ATOM 0 H3 GLY B 1 -10.369 -4.406 19.204 1.00 31.45 H new ATOM 0 HA2 GLY B 1 -9.352 -2.391 17.393 1.00 30.45 H new ATOM 0 HA3 GLY B 1 -10.592 -2.269 18.625 1.00 30.45 H new ATOM 1587 N SER B 2 -7.304 -2.195 19.091 1.00 4.31 N ATOM 1588 CA SER B 2 -6.215 -1.461 19.743 1.00 41.41 C ATOM 1589 C SER B 2 -5.625 -0.460 18.738 1.00 32.20 C ATOM 1590 O SER B 2 -5.305 -0.834 17.598 1.00 72.51 O ATOM 1591 CB SER B 2 -5.129 -2.443 20.264 1.00 62.03 C ATOM 1592 OG SER B 2 -4.632 -3.292 19.240 1.00 64.14 O ATOM 0 H SER B 2 -6.980 -2.885 18.413 1.00 4.31 H new ATOM 0 HA SER B 2 -6.599 -0.917 20.606 1.00 41.41 H new ATOM 0 HB2 SER B 2 -4.304 -1.874 20.693 1.00 62.03 H new ATOM 0 HB3 SER B 2 -5.547 -3.051 21.066 1.00 62.03 H new ATOM 0 HG SER B 2 -3.856 -2.872 18.815 1.00 64.14 H new ATOM 1598 N MET B 3 -5.516 0.818 19.163 1.00 33.25 N ATOM 1599 CA MET B 3 -4.829 1.874 18.389 1.00 52.24 C ATOM 1600 C MET B 3 -3.333 1.525 18.262 1.00 24.12 C ATOM 1601 O MET B 3 -2.679 1.864 17.267 1.00 73.33 O ATOM 1602 CB MET B 3 -5.007 3.259 19.076 1.00 51.22 C ATOM 1603 CG MET B 3 -4.312 4.437 18.367 1.00 2.42 C ATOM 1604 SD MET B 3 -4.419 5.978 19.304 1.00 63.11 S ATOM 1605 CE MET B 3 -3.387 7.065 18.318 1.00 41.22 C ATOM 0 H MET B 3 -5.901 1.145 20.049 1.00 33.25 H new ATOM 0 HA MET B 3 -5.270 1.931 17.394 1.00 52.24 H new ATOM 0 HB2 MET B 3 -6.073 3.477 19.148 1.00 51.22 H new ATOM 0 HB3 MET B 3 -4.626 3.193 20.095 1.00 51.22 H new ATOM 0 HG2 MET B 3 -3.263 4.189 18.203 1.00 2.42 H new ATOM 0 HG3 MET B 3 -4.763 4.582 17.385 1.00 2.42 H new ATOM 0 HE1 MET B 3 -3.359 8.054 18.776 1.00 41.22 H new ATOM 0 HE2 MET B 3 -2.376 6.660 18.267 1.00 41.22 H new ATOM 0 HE3 MET B 3 -3.798 7.142 17.311 1.00 41.22 H new ATOM 1615 N GLN B 4 -2.815 0.848 19.307 1.00 54.41 N ATOM 1616 CA GLN B 4 -1.475 0.246 19.302 1.00 12.15 C ATOM 1617 C GLN B 4 -1.392 -0.844 18.216 1.00 14.43 C ATOM 1618 O GLN B 4 -2.269 -1.719 18.151 1.00 23.11 O ATOM 1619 CB GLN B 4 -1.162 -0.381 20.687 1.00 53.11 C ATOM 1620 CG GLN B 4 -1.120 0.617 21.862 1.00 12.41 C ATOM 1621 CD GLN B 4 -0.086 1.739 21.686 1.00 51.14 C ATOM 1622 OE1 GLN B 4 0.953 1.567 21.040 1.00 54.11 O ATOM 1623 NE2 GLN B 4 -0.344 2.890 22.289 1.00 44.34 N ATOM 0 H GLN B 4 -3.321 0.705 20.181 1.00 54.41 H new ATOM 0 HA GLN B 4 -0.744 1.027 19.090 1.00 12.15 H new ATOM 0 HB2 GLN B 4 -1.913 -1.141 20.903 1.00 53.11 H new ATOM 0 HB3 GLN B 4 -0.200 -0.891 20.629 1.00 53.11 H new ATOM 0 HG2 GLN B 4 -2.108 1.062 21.984 1.00 12.41 H new ATOM 0 HG3 GLN B 4 -0.899 0.073 22.781 1.00 12.41 H new ATOM 0 HE21 GLN B 4 -1.209 3.007 22.816 1.00 44.34 H new ATOM 0 HE22 GLN B 4 0.323 3.659 22.226 1.00 44.34 H new ATOM 1632 N ASN B 5 -0.348 -0.777 17.372 1.00 21.34 N ATOM 1633 CA ASN B 5 -0.102 -1.779 16.321 1.00 3.42 C ATOM 1634 C ASN B 5 0.265 -3.133 16.981 1.00 24.35 C ATOM 1635 O ASN B 5 1.200 -3.202 17.795 1.00 71.12 O ATOM 1636 CB ASN B 5 1.002 -1.281 15.338 1.00 45.00 C ATOM 1637 CG ASN B 5 2.374 -1.062 15.984 1.00 70.31 C ATOM 1638 OD1 ASN B 5 2.657 0.002 16.537 1.00 24.42 O ATOM 1639 ND2 ASN B 5 3.233 -2.068 15.912 1.00 5.41 N ATOM 0 H ASN B 5 0.346 -0.030 17.399 1.00 21.34 H new ATOM 0 HA ASN B 5 -1.006 -1.926 15.729 1.00 3.42 H new ATOM 0 HB2 ASN B 5 1.106 -2.006 14.531 1.00 45.00 H new ATOM 0 HB3 ASN B 5 0.673 -0.345 14.886 1.00 45.00 H new ATOM 0 HD21 ASN B 5 4.162 -1.975 16.322 1.00 5.41 H new ATOM 0 HD22 ASN B 5 2.965 -2.935 15.446 1.00 5.41 H new ATOM 1646 N THR B 6 -0.504 -4.194 16.674 1.00 63.14 N ATOM 1647 CA THR B 6 -0.384 -5.500 17.364 1.00 51.54 C ATOM 1648 C THR B 6 -0.744 -6.639 16.393 1.00 21.33 C ATOM 1649 O THR B 6 -1.868 -6.662 15.881 1.00 1.51 O ATOM 1650 CB THR B 6 -1.339 -5.569 18.617 1.00 23.11 C ATOM 1651 OG1 THR B 6 -1.339 -4.316 19.322 1.00 40.13 O ATOM 1652 CG2 THR B 6 -0.911 -6.672 19.595 1.00 52.24 C ATOM 0 H THR B 6 -1.221 -4.175 15.948 1.00 63.14 H new ATOM 0 HA THR B 6 0.647 -5.609 17.702 1.00 51.54 H new ATOM 0 HB THR B 6 -2.338 -5.791 18.241 1.00 23.11 H new ATOM 0 HG1 THR B 6 -1.758 -3.627 18.765 1.00 40.13 H new ATOM 0 HG21 THR B 6 -1.593 -6.689 20.445 1.00 52.24 H new ATOM 0 HG22 THR B 6 -0.938 -7.637 19.089 1.00 52.24 H new ATOM 0 HG23 THR B 6 0.102 -6.474 19.946 1.00 52.24 H new ATOM 1660 N THR B 7 0.198 -7.595 16.185 1.00 73.24 N ATOM 1661 CA THR B 7 0.062 -8.686 15.195 1.00 20.44 C ATOM 1662 C THR B 7 -0.857 -9.829 15.722 1.00 50.11 C ATOM 1663 O THR B 7 -0.386 -10.917 16.093 1.00 2.52 O ATOM 1664 CB THR B 7 1.482 -9.227 14.801 1.00 2.41 C ATOM 1665 OG1 THR B 7 2.347 -8.117 14.525 1.00 61.51 O ATOM 1666 CG2 THR B 7 1.447 -10.160 13.571 1.00 61.25 C ATOM 0 H THR B 7 1.076 -7.627 16.704 1.00 73.24 H new ATOM 0 HA THR B 7 -0.418 -8.284 14.303 1.00 20.44 H new ATOM 0 HB THR B 7 1.851 -9.813 15.642 1.00 2.41 H new ATOM 0 HG1 THR B 7 3.236 -8.448 14.280 1.00 61.51 H new ATOM 0 HG21 THR B 7 2.457 -10.503 13.346 1.00 61.25 H new ATOM 0 HG22 THR B 7 0.811 -11.019 13.784 1.00 61.25 H new ATOM 0 HG23 THR B 7 1.048 -9.617 12.714 1.00 61.25 H new ATOM 1674 N HIS B 8 -2.166 -9.515 15.800 1.00 32.23 N ATOM 1675 CA HIS B 8 -3.252 -10.449 16.197 1.00 3.35 C ATOM 1676 C HIS B 8 -4.586 -9.674 16.163 1.00 61.21 C ATOM 1677 O HIS B 8 -5.640 -10.230 15.861 1.00 75.54 O ATOM 1678 CB HIS B 8 -3.044 -11.105 17.616 1.00 25.25 C ATOM 1679 CG HIS B 8 -3.617 -10.345 18.808 1.00 2.41 C ATOM 1680 ND1 HIS B 8 -4.929 -10.490 19.225 1.00 11.44 N ATOM 1681 CD2 HIS B 8 -3.080 -9.411 19.628 1.00 34.02 C ATOM 1682 CE1 HIS B 8 -5.159 -9.691 20.248 1.00 34.43 C ATOM 1683 NE2 HIS B 8 -4.057 -9.027 20.511 1.00 2.13 N ATOM 0 H HIS B 8 -2.512 -8.580 15.584 1.00 32.23 H new ATOM 0 HA HIS B 8 -3.250 -11.278 15.489 1.00 3.35 H new ATOM 0 HB2 HIS B 8 -3.489 -12.100 17.600 1.00 25.25 H new ATOM 0 HB3 HIS B 8 -1.974 -11.236 17.778 1.00 25.25 H new ATOM 0 HD2 HIS B 8 -2.068 -9.037 19.593 1.00 34.02 H new ATOM 0 HE1 HIS B 8 -6.095 -9.598 20.779 1.00 34.43 H new ATOM 0 HE2 HIS B 8 -3.945 -8.336 21.253 1.00 2.13 H new ATOM 1692 N ASP B 9 -4.510 -8.375 16.527 1.00 71.22 N ATOM 1693 CA ASP B 9 -5.677 -7.473 16.601 1.00 2.53 C ATOM 1694 C ASP B 9 -6.011 -6.964 15.196 1.00 32.15 C ATOM 1695 O ASP B 9 -7.180 -6.784 14.829 1.00 35.31 O ATOM 1696 CB ASP B 9 -5.361 -6.298 17.560 1.00 21.03 C ATOM 1697 CG ASP B 9 -6.606 -5.476 17.916 1.00 62.35 C ATOM 1698 OD1 ASP B 9 -6.931 -4.513 17.203 1.00 54.33 O ATOM 1699 OD2 ASP B 9 -7.283 -5.807 18.919 1.00 34.14 O ATOM 0 H ASP B 9 -3.632 -7.922 16.779 1.00 71.22 H new ATOM 0 HA ASP B 9 -6.543 -8.009 16.990 1.00 2.53 H new ATOM 0 HB2 ASP B 9 -4.915 -6.690 18.474 1.00 21.03 H new ATOM 0 HB3 ASP B 9 -4.620 -5.646 17.098 1.00 21.03 H new ATOM 1704 N ASN B 10 -4.950 -6.769 14.417 1.00 23.33 N ATOM 1705 CA ASN B 10 -5.039 -6.448 12.996 1.00 21.04 C ATOM 1706 C ASN B 10 -5.362 -7.726 12.195 1.00 21.11 C ATOM 1707 O ASN B 10 -5.079 -8.846 12.644 1.00 31.13 O ATOM 1708 CB ASN B 10 -3.697 -5.826 12.525 1.00 63.23 C ATOM 1709 CG ASN B 10 -2.499 -6.787 12.626 1.00 23.31 C ATOM 1710 OD1 ASN B 10 -2.492 -7.726 13.419 1.00 72.45 O ATOM 1711 ND2 ASN B 10 -1.459 -6.542 11.862 1.00 53.21 N ATOM 0 H ASN B 10 -3.991 -6.830 14.760 1.00 23.33 H new ATOM 0 HA ASN B 10 -5.838 -5.726 12.828 1.00 21.04 H new ATOM 0 HB2 ASN B 10 -3.802 -5.498 11.491 1.00 63.23 H new ATOM 0 HB3 ASN B 10 -3.490 -4.937 13.121 1.00 63.23 H new ATOM 0 HD21 ASN B 10 -0.631 -7.135 11.922 1.00 53.21 H new ATOM 0 HD22 ASN B 10 -1.479 -5.759 11.209 1.00 53.21 H new ATOM 1718 N VAL B 11 -5.951 -7.550 11.013 1.00 74.34 N ATOM 1719 CA VAL B 11 -6.346 -8.654 10.121 1.00 55.24 C ATOM 1720 C VAL B 11 -5.709 -8.429 8.755 1.00 41.13 C ATOM 1721 O VAL B 11 -5.556 -7.290 8.321 1.00 12.24 O ATOM 1722 CB VAL B 11 -7.912 -8.790 9.970 1.00 75.21 C ATOM 1723 CG1 VAL B 11 -8.557 -9.187 11.317 1.00 13.22 C ATOM 1724 CG2 VAL B 11 -8.563 -7.502 9.389 1.00 34.11 C ATOM 0 H VAL B 11 -6.173 -6.628 10.638 1.00 74.34 H new ATOM 0 HA VAL B 11 -5.995 -9.586 10.565 1.00 55.24 H new ATOM 0 HB VAL B 11 -8.101 -9.586 9.250 1.00 75.21 H new ATOM 0 HG11 VAL B 11 -9.636 -9.276 11.192 1.00 13.22 H new ATOM 0 HG12 VAL B 11 -8.150 -10.143 11.647 1.00 13.22 H new ATOM 0 HG13 VAL B 11 -8.340 -8.423 12.064 1.00 13.22 H new ATOM 0 HG21 VAL B 11 -9.640 -7.645 9.304 1.00 34.11 H new ATOM 0 HG22 VAL B 11 -8.360 -6.661 10.052 1.00 34.11 H new ATOM 0 HG23 VAL B 11 -8.146 -7.296 8.403 1.00 34.11 H new ATOM 1734 N ILE B 12 -5.335 -9.525 8.104 1.00 34.33 N ATOM 1735 CA ILE B 12 -4.691 -9.508 6.800 1.00 74.35 C ATOM 1736 C ILE B 12 -5.793 -9.558 5.719 1.00 42.44 C ATOM 1737 O ILE B 12 -6.308 -10.634 5.399 1.00 43.04 O ATOM 1738 CB ILE B 12 -3.726 -10.747 6.661 1.00 54.14 C ATOM 1739 CG1 ILE B 12 -2.766 -10.890 7.874 1.00 32.43 C ATOM 1740 CG2 ILE B 12 -2.907 -10.674 5.383 1.00 72.01 C ATOM 1741 CD1 ILE B 12 -1.657 -9.859 7.972 1.00 11.14 C ATOM 0 H ILE B 12 -5.474 -10.465 8.476 1.00 34.33 H new ATOM 0 HA ILE B 12 -4.097 -8.602 6.682 1.00 74.35 H new ATOM 0 HB ILE B 12 -4.371 -11.625 6.628 1.00 54.14 H new ATOM 0 HG12 ILE B 12 -3.358 -10.845 8.788 1.00 32.43 H new ATOM 0 HG13 ILE B 12 -2.312 -11.880 7.837 1.00 32.43 H new ATOM 0 HG21 ILE B 12 -2.253 -11.544 5.320 1.00 72.01 H new ATOM 0 HG22 ILE B 12 -3.576 -10.660 4.523 1.00 72.01 H new ATOM 0 HG23 ILE B 12 -2.304 -9.766 5.389 1.00 72.01 H new ATOM 0 HD11 ILE B 12 -1.052 -10.059 8.856 1.00 11.14 H new ATOM 0 HD12 ILE B 12 -1.029 -9.914 7.083 1.00 11.14 H new ATOM 0 HD13 ILE B 12 -2.092 -8.863 8.048 1.00 11.14 H new ATOM 1753 N LEU B 13 -6.185 -8.388 5.190 1.00 3.32 N ATOM 1754 CA LEU B 13 -7.259 -8.308 4.187 1.00 4.31 C ATOM 1755 C LEU B 13 -6.667 -8.525 2.800 1.00 11.10 C ATOM 1756 O LEU B 13 -6.121 -7.605 2.201 1.00 5.15 O ATOM 1757 CB LEU B 13 -8.015 -6.945 4.260 1.00 35.13 C ATOM 1758 CG LEU B 13 -8.841 -6.699 5.560 1.00 21.10 C ATOM 1759 CD1 LEU B 13 -9.593 -5.352 5.504 1.00 3.42 C ATOM 1760 CD2 LEU B 13 -9.813 -7.873 5.832 1.00 73.34 C ATOM 0 H LEU B 13 -5.776 -7.487 5.439 1.00 3.32 H new ATOM 0 HA LEU B 13 -7.990 -9.089 4.397 1.00 4.31 H new ATOM 0 HB2 LEU B 13 -7.287 -6.141 4.156 1.00 35.13 H new ATOM 0 HB3 LEU B 13 -8.688 -6.878 3.405 1.00 35.13 H new ATOM 0 HG LEU B 13 -8.139 -6.647 6.392 1.00 21.10 H new ATOM 0 HD11 LEU B 13 -10.158 -5.212 6.425 1.00 3.42 H new ATOM 0 HD12 LEU B 13 -8.876 -4.539 5.392 1.00 3.42 H new ATOM 0 HD13 LEU B 13 -10.277 -5.352 4.655 1.00 3.42 H new ATOM 0 HD21 LEU B 13 -10.376 -7.675 6.744 1.00 73.34 H new ATOM 0 HD22 LEU B 13 -10.503 -7.976 4.995 1.00 73.34 H new ATOM 0 HD23 LEU B 13 -9.245 -8.796 5.949 1.00 73.34 H new ATOM 1772 N GLU B 14 -6.777 -9.771 2.313 1.00 14.23 N ATOM 1773 CA GLU B 14 -6.248 -10.174 1.009 1.00 42.02 C ATOM 1774 C GLU B 14 -7.307 -9.863 -0.036 1.00 13.44 C ATOM 1775 O GLU B 14 -8.238 -10.628 -0.234 1.00 52.04 O ATOM 1776 CB GLU B 14 -5.894 -11.702 1.024 1.00 1.00 C ATOM 1777 CG GLU B 14 -5.124 -12.264 -0.214 1.00 73.04 C ATOM 1778 CD GLU B 14 -5.934 -12.338 -1.526 1.00 21.42 C ATOM 1779 OE1 GLU B 14 -6.767 -13.259 -1.668 1.00 70.15 O ATOM 1780 OE2 GLU B 14 -5.755 -11.464 -2.403 1.00 31.04 O ATOM 0 H GLU B 14 -7.238 -10.528 2.818 1.00 14.23 H new ATOM 0 HA GLU B 14 -5.333 -9.631 0.775 1.00 42.02 H new ATOM 0 HB2 GLU B 14 -5.297 -11.903 1.914 1.00 1.00 H new ATOM 0 HB3 GLU B 14 -6.822 -12.264 1.129 1.00 1.00 H new ATOM 0 HG2 GLU B 14 -4.245 -11.643 -0.385 1.00 73.04 H new ATOM 0 HG3 GLU B 14 -4.765 -13.265 0.027 1.00 73.04 H new ATOM 1787 N LEU B 15 -7.183 -8.713 -0.669 1.00 75.33 N ATOM 1788 CA LEU B 15 -8.046 -8.337 -1.784 1.00 11.01 C ATOM 1789 C LEU B 15 -7.205 -8.296 -3.068 1.00 1.42 C ATOM 1790 O LEU B 15 -6.218 -7.561 -3.165 1.00 1.40 O ATOM 1791 CB LEU B 15 -8.808 -7.010 -1.459 1.00 30.30 C ATOM 1792 CG LEU B 15 -8.045 -5.922 -0.621 1.00 31.43 C ATOM 1793 CD1 LEU B 15 -7.156 -5.023 -1.492 1.00 4.12 C ATOM 1794 CD2 LEU B 15 -9.019 -5.091 0.223 1.00 62.24 C ATOM 0 H LEU B 15 -6.484 -8.010 -0.429 1.00 75.33 H new ATOM 0 HA LEU B 15 -8.829 -9.078 -1.947 1.00 11.01 H new ATOM 0 HB2 LEU B 15 -9.111 -6.556 -2.403 1.00 30.30 H new ATOM 0 HB3 LEU B 15 -9.721 -7.269 -0.922 1.00 30.30 H new ATOM 0 HG LEU B 15 -7.379 -6.457 0.056 1.00 31.43 H new ATOM 0 HD11 LEU B 15 -6.652 -4.290 -0.862 1.00 4.12 H new ATOM 0 HD12 LEU B 15 -6.412 -5.633 -2.004 1.00 4.12 H new ATOM 0 HD13 LEU B 15 -7.771 -4.507 -2.229 1.00 4.12 H new ATOM 0 HD21 LEU B 15 -8.463 -4.346 0.792 1.00 62.24 H new ATOM 0 HD22 LEU B 15 -9.732 -4.590 -0.432 1.00 62.24 H new ATOM 0 HD23 LEU B 15 -9.556 -5.746 0.909 1.00 62.24 H new ATOM 1806 N THR B 16 -7.592 -9.137 -4.039 1.00 73.41 N ATOM 1807 CA THR B 16 -6.938 -9.198 -5.339 1.00 33.22 C ATOM 1808 C THR B 16 -7.563 -8.124 -6.213 1.00 50.01 C ATOM 1809 O THR B 16 -8.750 -8.189 -6.495 1.00 63.45 O ATOM 1810 CB THR B 16 -7.154 -10.579 -6.041 1.00 64.41 C ATOM 1811 OG1 THR B 16 -6.884 -11.654 -5.128 1.00 53.22 O ATOM 1812 CG2 THR B 16 -6.269 -10.727 -7.292 1.00 21.33 C ATOM 0 H THR B 16 -8.368 -9.791 -3.937 1.00 73.41 H new ATOM 0 HA THR B 16 -5.867 -9.054 -5.198 1.00 33.22 H new ATOM 0 HB THR B 16 -8.197 -10.623 -6.356 1.00 64.41 H new ATOM 0 HG1 THR B 16 -6.616 -11.286 -4.260 1.00 53.22 H new ATOM 0 HG21 THR B 16 -6.448 -11.699 -7.751 1.00 21.33 H new ATOM 0 HG22 THR B 16 -6.512 -9.939 -8.005 1.00 21.33 H new ATOM 0 HG23 THR B 16 -5.220 -10.648 -7.007 1.00 21.33 H new ATOM 1820 N VAL B 17 -6.787 -7.106 -6.574 1.00 2.34 N ATOM 1821 CA VAL B 17 -7.236 -6.053 -7.489 1.00 62.45 C ATOM 1822 C VAL B 17 -6.339 -6.072 -8.731 1.00 55.02 C ATOM 1823 O VAL B 17 -5.162 -6.439 -8.658 1.00 35.15 O ATOM 1824 CB VAL B 17 -7.245 -4.619 -6.803 1.00 33.43 C ATOM 1825 CG1 VAL B 17 -7.674 -4.718 -5.321 1.00 42.13 C ATOM 1826 CG2 VAL B 17 -5.902 -3.855 -6.950 1.00 4.14 C ATOM 0 H VAL B 17 -5.830 -6.985 -6.243 1.00 2.34 H new ATOM 0 HA VAL B 17 -8.269 -6.252 -7.775 1.00 62.45 H new ATOM 0 HB VAL B 17 -7.985 -4.028 -7.342 1.00 33.43 H new ATOM 0 HG11 VAL B 17 -7.672 -3.724 -4.874 1.00 42.13 H new ATOM 0 HG12 VAL B 17 -8.677 -5.141 -5.260 1.00 42.13 H new ATOM 0 HG13 VAL B 17 -6.976 -5.359 -4.782 1.00 42.13 H new ATOM 0 HG21 VAL B 17 -5.980 -2.885 -6.459 1.00 4.14 H new ATOM 0 HG22 VAL B 17 -5.102 -4.433 -6.487 1.00 4.14 H new ATOM 0 HG23 VAL B 17 -5.680 -3.710 -8.007 1.00 4.14 H new ATOM 1836 N ARG B 18 -6.908 -5.705 -9.873 1.00 30.32 N ATOM 1837 CA ARG B 18 -6.160 -5.562 -11.129 1.00 0.42 C ATOM 1838 C ARG B 18 -5.812 -4.083 -11.339 1.00 32.21 C ATOM 1839 O ARG B 18 -6.615 -3.204 -11.003 1.00 64.14 O ATOM 1840 CB ARG B 18 -6.967 -6.165 -12.303 1.00 62.14 C ATOM 1841 CG ARG B 18 -8.417 -5.662 -12.461 1.00 42.24 C ATOM 1842 CD ARG B 18 -9.182 -6.458 -13.536 1.00 63.33 C ATOM 1843 NE ARG B 18 -8.517 -6.391 -14.855 1.00 32.21 N ATOM 1844 CZ ARG B 18 -8.906 -7.056 -15.956 1.00 64.25 C ATOM 1845 NH1 ARG B 18 -9.970 -7.856 -15.935 1.00 44.31 N ATOM 1846 NH2 ARG B 18 -8.206 -6.937 -17.077 1.00 20.35 N ATOM 0 H ARG B 18 -7.903 -5.496 -9.961 1.00 30.32 H new ATOM 0 HA ARG B 18 -5.223 -6.118 -11.082 1.00 0.42 H new ATOM 0 HB2 ARG B 18 -6.430 -5.960 -13.229 1.00 62.14 H new ATOM 0 HB3 ARG B 18 -6.991 -7.248 -12.182 1.00 62.14 H new ATOM 0 HG2 ARG B 18 -8.937 -5.746 -11.507 1.00 42.24 H new ATOM 0 HG3 ARG B 18 -8.409 -4.605 -12.728 1.00 42.24 H new ATOM 0 HD2 ARG B 18 -9.265 -7.499 -13.225 1.00 63.33 H new ATOM 0 HD3 ARG B 18 -10.196 -6.069 -13.622 1.00 63.33 H new ATOM 0 HE ARG B 18 -7.696 -5.791 -14.936 1.00 32.21 H new ATOM 0 HH11 ARG B 18 -10.504 -7.972 -15.074 1.00 44.31 H new ATOM 0 HH12 ARG B 18 -10.251 -8.353 -16.780 1.00 44.31 H new ATOM 0 HH21 ARG B 18 -7.377 -6.343 -17.100 1.00 20.35 H new ATOM 0 HH22 ARG B 18 -8.497 -7.440 -17.916 1.00 20.35 H new ATOM 1860 N ASN B 19 -4.601 -3.834 -11.886 1.00 12.40 N ATOM 1861 CA ASN B 19 -3.975 -2.498 -11.939 1.00 70.23 C ATOM 1862 C ASN B 19 -4.744 -1.564 -12.905 1.00 73.40 C ATOM 1863 O ASN B 19 -4.473 -1.505 -14.109 1.00 61.23 O ATOM 1864 CB ASN B 19 -2.458 -2.634 -12.309 1.00 2.13 C ATOM 1865 CG ASN B 19 -1.633 -1.333 -12.161 1.00 24.44 C ATOM 1866 OD1 ASN B 19 -2.100 -0.234 -12.441 1.00 43.43 O ATOM 1867 ND2 ASN B 19 -0.390 -1.451 -11.697 1.00 2.32 N ATOM 0 H ASN B 19 -4.027 -4.564 -12.307 1.00 12.40 H new ATOM 0 HA ASN B 19 -4.031 -2.034 -10.954 1.00 70.23 H new ATOM 0 HB2 ASN B 19 -2.013 -3.403 -11.678 1.00 2.13 H new ATOM 0 HB3 ASN B 19 -2.380 -2.982 -13.339 1.00 2.13 H new ATOM 0 HD21 ASN B 19 0.188 -0.620 -11.570 1.00 2.32 H new ATOM 0 HD22 ASN B 19 -0.016 -2.372 -11.469 1.00 2.32 H new ATOM 1874 N HIS B 20 -5.780 -0.930 -12.346 1.00 21.12 N ATOM 1875 CA HIS B 20 -6.580 0.136 -12.992 1.00 74.41 C ATOM 1876 C HIS B 20 -6.257 1.483 -12.287 1.00 44.03 C ATOM 1877 O HIS B 20 -5.644 1.453 -11.209 1.00 33.21 O ATOM 1878 CB HIS B 20 -8.102 -0.203 -12.882 1.00 62.24 C ATOM 1879 CG HIS B 20 -8.574 -1.412 -13.638 1.00 61.53 C ATOM 1880 ND1 HIS B 20 -9.881 -1.838 -13.600 1.00 40.35 N ATOM 1881 CD2 HIS B 20 -7.934 -2.261 -14.476 1.00 51.32 C ATOM 1882 CE1 HIS B 20 -10.025 -2.879 -14.388 1.00 54.41 C ATOM 1883 NE2 HIS B 20 -8.861 -3.160 -14.932 1.00 42.50 N ATOM 0 H HIS B 20 -6.101 -1.145 -11.402 1.00 21.12 H new ATOM 0 HA HIS B 20 -6.331 0.213 -14.050 1.00 74.41 H new ATOM 0 HB2 HIS B 20 -8.346 -0.342 -11.829 1.00 62.24 H new ATOM 0 HB3 HIS B 20 -8.670 0.660 -13.229 1.00 62.24 H new ATOM 0 HD2 HIS B 20 -6.886 -2.234 -14.737 1.00 51.32 H new ATOM 0 HE1 HIS B 20 -10.946 -3.415 -14.561 1.00 54.41 H new ATOM 0 HE2 HIS B 20 -8.679 -3.922 -15.586 1.00 42.50 H new ATOM 1892 N PRO B 21 -6.624 2.682 -12.884 1.00 42.41 N ATOM 1893 CA PRO B 21 -6.344 4.026 -12.284 1.00 1.51 C ATOM 1894 C PRO B 21 -6.704 4.150 -10.774 1.00 65.42 C ATOM 1895 O PRO B 21 -7.885 4.153 -10.401 1.00 44.33 O ATOM 1896 CB PRO B 21 -7.193 5.006 -13.160 1.00 43.03 C ATOM 1897 CG PRO B 21 -8.073 4.125 -14.003 1.00 61.42 C ATOM 1898 CD PRO B 21 -7.292 2.850 -14.204 1.00 13.05 C ATOM 0 HA PRO B 21 -5.275 4.239 -12.294 1.00 1.51 H new ATOM 0 HB2 PRO B 21 -7.787 5.675 -12.538 1.00 43.03 H new ATOM 0 HB3 PRO B 21 -6.553 5.633 -13.781 1.00 43.03 H new ATOM 0 HG2 PRO B 21 -9.023 3.929 -13.506 1.00 61.42 H new ATOM 0 HG3 PRO B 21 -8.304 4.599 -14.957 1.00 61.42 H new ATOM 0 HD2 PRO B 21 -7.941 2.008 -14.442 1.00 13.05 H new ATOM 0 HD3 PRO B 21 -6.572 2.937 -15.017 1.00 13.05 H new ATOM 1906 N GLY B 22 -5.644 4.202 -9.932 1.00 30.23 N ATOM 1907 CA GLY B 22 -5.753 4.510 -8.499 1.00 51.11 C ATOM 1908 C GLY B 22 -6.574 3.511 -7.688 1.00 50.24 C ATOM 1909 O GLY B 22 -7.275 3.896 -6.748 1.00 43.44 O ATOM 0 H GLY B 22 -4.686 4.029 -10.237 1.00 30.23 H new ATOM 0 HA2 GLY B 22 -4.750 4.562 -8.076 1.00 51.11 H new ATOM 0 HA3 GLY B 22 -6.198 5.499 -8.388 1.00 51.11 H new ATOM 1913 N VAL B 23 -6.487 2.227 -8.045 1.00 62.55 N ATOM 1914 CA VAL B 23 -7.222 1.156 -7.340 1.00 44.53 C ATOM 1915 C VAL B 23 -6.585 0.812 -5.990 1.00 73.32 C ATOM 1916 O VAL B 23 -7.276 0.379 -5.065 1.00 22.41 O ATOM 1917 CB VAL B 23 -7.402 -0.108 -8.235 1.00 20.12 C ATOM 1918 CG1 VAL B 23 -8.270 0.256 -9.445 1.00 74.31 C ATOM 1919 CG2 VAL B 23 -6.053 -0.703 -8.687 1.00 65.21 C ATOM 0 H VAL B 23 -5.914 1.896 -8.821 1.00 62.55 H new ATOM 0 HA VAL B 23 -8.218 1.544 -7.128 1.00 44.53 H new ATOM 0 HB VAL B 23 -7.896 -0.879 -7.643 1.00 20.12 H new ATOM 0 HG11 VAL B 23 -8.401 -0.623 -10.076 1.00 74.31 H new ATOM 0 HG12 VAL B 23 -9.244 0.605 -9.102 1.00 74.31 H new ATOM 0 HG13 VAL B 23 -7.783 1.045 -10.018 1.00 74.31 H new ATOM 0 HG21 VAL B 23 -6.232 -1.581 -9.308 1.00 65.21 H new ATOM 0 HG22 VAL B 23 -5.501 0.041 -9.262 1.00 65.21 H new ATOM 0 HG23 VAL B 23 -5.470 -0.990 -7.812 1.00 65.21 H new ATOM 1929 N MET B 24 -5.270 1.029 -5.881 1.00 44.24 N ATOM 1930 CA MET B 24 -4.553 0.925 -4.602 1.00 52.42 C ATOM 1931 C MET B 24 -5.011 2.069 -3.656 1.00 24.24 C ATOM 1932 O MET B 24 -5.074 1.893 -2.437 1.00 54.11 O ATOM 1933 CB MET B 24 -3.019 0.973 -4.827 1.00 22.21 C ATOM 1934 CG MET B 24 -2.469 -0.080 -5.806 1.00 44.51 C ATOM 1935 SD MET B 24 -2.938 0.249 -7.526 1.00 34.31 S ATOM 1936 CE MET B 24 -2.315 -1.212 -8.361 1.00 2.31 C ATOM 0 H MET B 24 -4.674 1.280 -6.670 1.00 44.24 H new ATOM 0 HA MET B 24 -4.789 -0.033 -4.138 1.00 52.42 H new ATOM 0 HB2 MET B 24 -2.752 1.963 -5.196 1.00 22.21 H new ATOM 0 HB3 MET B 24 -2.522 0.847 -3.865 1.00 22.21 H new ATOM 0 HG2 MET B 24 -1.382 -0.108 -5.729 1.00 44.51 H new ATOM 0 HG3 MET B 24 -2.835 -1.065 -5.516 1.00 44.51 H new ATOM 0 HE1 MET B 24 -1.907 -0.930 -9.332 1.00 2.31 H new ATOM 0 HE2 MET B 24 -1.531 -1.670 -7.757 1.00 2.31 H new ATOM 0 HE3 MET B 24 -3.127 -1.925 -8.502 1.00 2.31 H new ATOM 1946 N THR B 25 -5.355 3.233 -4.259 1.00 32.31 N ATOM 1947 CA THR B 25 -5.922 4.393 -3.541 1.00 74.30 C ATOM 1948 C THR B 25 -7.378 4.097 -3.087 1.00 51.23 C ATOM 1949 O THR B 25 -7.812 4.587 -2.036 1.00 22.53 O ATOM 1950 CB THR B 25 -5.890 5.678 -4.448 1.00 44.32 C ATOM 1951 OG1 THR B 25 -4.610 5.785 -5.091 1.00 4.34 O ATOM 1952 CG2 THR B 25 -6.160 6.978 -3.660 1.00 70.00 C ATOM 0 H THR B 25 -5.245 3.391 -5.261 1.00 32.31 H new ATOM 0 HA THR B 25 -5.310 4.575 -2.657 1.00 74.30 H new ATOM 0 HB THR B 25 -6.688 5.564 -5.181 1.00 44.32 H new ATOM 0 HG1 THR B 25 -3.953 5.244 -4.605 1.00 4.34 H new ATOM 0 HG21 THR B 25 -6.125 7.829 -4.340 1.00 70.00 H new ATOM 0 HG22 THR B 25 -7.145 6.924 -3.196 1.00 70.00 H new ATOM 0 HG23 THR B 25 -5.401 7.099 -2.887 1.00 70.00 H new ATOM 1960 N HIS B 26 -8.114 3.281 -3.893 1.00 70.24 N ATOM 1961 CA HIS B 26 -9.492 2.838 -3.557 1.00 0.33 C ATOM 1962 C HIS B 26 -9.476 2.011 -2.269 1.00 23.31 C ATOM 1963 O HIS B 26 -10.163 2.343 -1.309 1.00 65.35 O ATOM 1964 CB HIS B 26 -10.140 1.970 -4.684 1.00 3.21 C ATOM 1965 CG HIS B 26 -10.336 2.640 -6.013 1.00 53.33 C ATOM 1966 ND1 HIS B 26 -10.475 1.927 -7.189 1.00 21.44 N ATOM 1967 CD2 HIS B 26 -10.416 3.945 -6.362 1.00 33.51 C ATOM 1968 CE1 HIS B 26 -10.623 2.764 -8.192 1.00 45.02 C ATOM 1969 NE2 HIS B 26 -10.588 3.990 -7.715 1.00 22.42 N ATOM 0 H HIS B 26 -7.771 2.917 -4.782 1.00 70.24 H new ATOM 0 HA HIS B 26 -10.086 3.744 -3.437 1.00 0.33 H new ATOM 0 HB2 HIS B 26 -9.519 1.087 -4.835 1.00 3.21 H new ATOM 0 HB3 HIS B 26 -11.110 1.621 -4.331 1.00 3.21 H new ATOM 0 HD1 HIS B 26 -10.464 0.910 -7.267 1.00 21.44 H new ATOM 0 HD2 HIS B 26 -10.355 4.792 -5.695 1.00 33.51 H new ATOM 0 HE1 HIS B 26 -10.751 2.492 -9.229 1.00 45.02 H new ATOM 1978 N VAL B 27 -8.648 0.949 -2.274 1.00 2.13 N ATOM 1979 CA VAL B 27 -8.636 -0.064 -1.208 1.00 60.41 C ATOM 1980 C VAL B 27 -8.141 0.520 0.131 1.00 21.01 C ATOM 1981 O VAL B 27 -8.726 0.245 1.183 1.00 65.13 O ATOM 1982 CB VAL B 27 -7.799 -1.334 -1.636 1.00 14.54 C ATOM 1983 CG1 VAL B 27 -8.323 -1.902 -2.975 1.00 0.53 C ATOM 1984 CG2 VAL B 27 -6.281 -1.058 -1.724 1.00 4.43 C ATOM 0 H VAL B 27 -7.971 0.772 -3.016 1.00 2.13 H new ATOM 0 HA VAL B 27 -9.666 -0.386 -1.052 1.00 60.41 H new ATOM 0 HB VAL B 27 -7.936 -2.076 -0.849 1.00 14.54 H new ATOM 0 HG11 VAL B 27 -7.735 -2.776 -3.254 1.00 0.53 H new ATOM 0 HG12 VAL B 27 -9.369 -2.188 -2.864 1.00 0.53 H new ATOM 0 HG13 VAL B 27 -8.235 -1.142 -3.752 1.00 0.53 H new ATOM 0 HG21 VAL B 27 -5.762 -1.969 -2.022 1.00 4.43 H new ATOM 0 HG22 VAL B 27 -6.095 -0.277 -2.461 1.00 4.43 H new ATOM 0 HG23 VAL B 27 -5.913 -0.733 -0.751 1.00 4.43 H new ATOM 1994 N CYS B 28 -7.095 1.369 0.063 1.00 41.50 N ATOM 1995 CA CYS B 28 -6.514 2.018 1.240 1.00 44.13 C ATOM 1996 C CYS B 28 -7.496 3.045 1.821 1.00 31.11 C ATOM 1997 O CYS B 28 -7.716 3.085 3.034 1.00 14.52 O ATOM 1998 CB CYS B 28 -5.186 2.697 0.873 1.00 72.31 C ATOM 1999 SG CYS B 28 -4.403 3.524 2.268 1.00 33.32 S ATOM 0 H CYS B 28 -6.635 1.619 -0.812 1.00 41.50 H new ATOM 0 HA CYS B 28 -6.318 1.258 1.996 1.00 44.13 H new ATOM 0 HB2 CYS B 28 -4.502 1.949 0.471 1.00 72.31 H new ATOM 0 HB3 CYS B 28 -5.364 3.424 0.081 1.00 72.31 H new ATOM 0 HG CYS B 28 -3.679 2.670 2.928 1.00 33.32 H new ATOM 2005 N GLY B 29 -8.105 3.840 0.916 1.00 53.33 N ATOM 2006 CA GLY B 29 -9.062 4.878 1.289 1.00 21.32 C ATOM 2007 C GLY B 29 -10.369 4.328 1.841 1.00 31.12 C ATOM 2008 O GLY B 29 -11.013 4.983 2.659 1.00 2.41 O ATOM 0 H GLY B 29 -7.941 3.773 -0.088 1.00 53.33 H new ATOM 0 HA2 GLY B 29 -8.607 5.529 2.035 1.00 21.32 H new ATOM 0 HA3 GLY B 29 -9.276 5.494 0.416 1.00 21.32 H new ATOM 2012 N LEU B 30 -10.736 3.111 1.392 1.00 61.14 N ATOM 2013 CA LEU B 30 -12.013 2.454 1.727 1.00 43.34 C ATOM 2014 C LEU B 30 -12.052 2.096 3.232 1.00 65.24 C ATOM 2015 O LEU B 30 -13.045 2.338 3.919 1.00 2.14 O ATOM 2016 CB LEU B 30 -12.185 1.183 0.821 1.00 14.24 C ATOM 2017 CG LEU B 30 -13.644 0.720 0.474 1.00 41.33 C ATOM 2018 CD1 LEU B 30 -14.384 0.137 1.681 1.00 32.23 C ATOM 2019 CD2 LEU B 30 -14.461 1.859 -0.177 1.00 72.34 C ATOM 0 H LEU B 30 -10.145 2.550 0.778 1.00 61.14 H new ATOM 0 HA LEU B 30 -12.845 3.131 1.535 1.00 43.34 H new ATOM 0 HB2 LEU B 30 -11.661 1.367 -0.117 1.00 14.24 H new ATOM 0 HB3 LEU B 30 -11.678 0.352 1.311 1.00 14.24 H new ATOM 0 HG LEU B 30 -13.542 -0.085 -0.253 1.00 41.33 H new ATOM 0 HD11 LEU B 30 -15.387 -0.166 1.381 1.00 32.23 H new ATOM 0 HD12 LEU B 30 -13.840 -0.730 2.057 1.00 32.23 H new ATOM 0 HD13 LEU B 30 -14.452 0.891 2.465 1.00 32.23 H new ATOM 0 HD21 LEU B 30 -15.466 1.502 -0.404 1.00 72.34 H new ATOM 0 HD22 LEU B 30 -14.522 2.702 0.511 1.00 72.34 H new ATOM 0 HD23 LEU B 30 -13.972 2.177 -1.098 1.00 72.34 H new ATOM 2031 N PHE B 31 -10.971 1.486 3.719 1.00 44.15 N ATOM 2032 CA PHE B 31 -10.847 1.072 5.134 1.00 20.42 C ATOM 2033 C PHE B 31 -10.372 2.221 6.037 1.00 22.23 C ATOM 2034 O PHE B 31 -10.666 2.230 7.236 1.00 42.24 O ATOM 2035 CB PHE B 31 -9.971 -0.194 5.232 1.00 4.03 C ATOM 2036 CG PHE B 31 -10.560 -1.325 4.383 1.00 10.41 C ATOM 2037 CD1 PHE B 31 -11.817 -1.857 4.686 1.00 42.12 C ATOM 2038 CD2 PHE B 31 -9.907 -1.801 3.257 1.00 33.23 C ATOM 2039 CE1 PHE B 31 -12.380 -2.837 3.896 1.00 3.32 C ATOM 2040 CE2 PHE B 31 -10.476 -2.776 2.463 1.00 4.41 C ATOM 2041 CZ PHE B 31 -11.712 -3.295 2.782 1.00 21.11 C ATOM 0 H PHE B 31 -10.153 1.261 3.152 1.00 44.15 H new ATOM 0 HA PHE B 31 -11.835 0.814 5.514 1.00 20.42 H new ATOM 0 HB2 PHE B 31 -8.959 0.031 4.896 1.00 4.03 H new ATOM 0 HB3 PHE B 31 -9.898 -0.513 6.272 1.00 4.03 H new ATOM 0 HD1 PHE B 31 -12.354 -1.496 5.550 1.00 42.12 H new ATOM 0 HD2 PHE B 31 -8.937 -1.403 2.997 1.00 33.23 H new ATOM 0 HE1 PHE B 31 -13.346 -3.246 4.151 1.00 3.32 H new ATOM 0 HE2 PHE B 31 -9.951 -3.133 1.589 1.00 4.41 H new ATOM 0 HZ PHE B 31 -12.156 -4.059 2.160 1.00 21.11 H new ATOM 2051 N ALA B 32 -9.629 3.181 5.453 1.00 41.43 N ATOM 2052 CA ALA B 32 -9.198 4.402 6.165 1.00 72.32 C ATOM 2053 C ALA B 32 -10.409 5.267 6.575 1.00 12.12 C ATOM 2054 O ALA B 32 -10.454 5.804 7.688 1.00 13.45 O ATOM 2055 CB ALA B 32 -8.230 5.215 5.293 1.00 54.13 C ATOM 0 H ALA B 32 -9.313 3.134 4.484 1.00 41.43 H new ATOM 0 HA ALA B 32 -8.681 4.096 7.075 1.00 72.32 H new ATOM 0 HB1 ALA B 32 -7.921 6.111 5.831 1.00 54.13 H new ATOM 0 HB2 ALA B 32 -7.353 4.610 5.062 1.00 54.13 H new ATOM 0 HB3 ALA B 32 -8.728 5.501 4.366 1.00 54.13 H new ATOM 2061 N ARG B 33 -11.407 5.366 5.667 1.00 64.03 N ATOM 2062 CA ARG B 33 -12.604 6.216 5.875 1.00 32.14 C ATOM 2063 C ARG B 33 -13.600 5.585 6.872 1.00 41.15 C ATOM 2064 O ARG B 33 -14.608 6.217 7.208 1.00 31.12 O ATOM 2065 CB ARG B 33 -13.313 6.509 4.518 1.00 55.44 C ATOM 2066 CG ARG B 33 -14.005 5.290 3.872 1.00 22.31 C ATOM 2067 CD ARG B 33 -14.606 5.594 2.486 1.00 73.33 C ATOM 2068 NE ARG B 33 -15.703 6.584 2.559 1.00 31.25 N ATOM 2069 CZ ARG B 33 -16.236 7.242 1.513 1.00 60.33 C ATOM 2070 NH1 ARG B 33 -15.794 7.045 0.275 1.00 75.30 N ATOM 2071 NH2 ARG B 33 -17.230 8.096 1.718 1.00 11.51 N ATOM 0 H ARG B 33 -11.407 4.865 4.778 1.00 64.03 H new ATOM 0 HA ARG B 33 -12.258 7.155 6.307 1.00 32.14 H new ATOM 0 HB2 ARG B 33 -14.057 7.290 4.674 1.00 55.44 H new ATOM 0 HB3 ARG B 33 -12.577 6.904 3.818 1.00 55.44 H new ATOM 0 HG2 ARG B 33 -13.283 4.479 3.777 1.00 22.31 H new ATOM 0 HG3 ARG B 33 -14.796 4.937 4.534 1.00 22.31 H new ATOM 0 HD2 ARG B 33 -13.823 5.969 1.827 1.00 73.33 H new ATOM 0 HD3 ARG B 33 -14.980 4.671 2.044 1.00 73.33 H new ATOM 0 HE ARG B 33 -16.089 6.785 3.482 1.00 31.25 H new ATOM 0 HH11 ARG B 33 -15.036 6.384 0.103 1.00 75.30 H new ATOM 0 HH12 ARG B 33 -16.213 7.555 -0.503 1.00 75.30 H new ATOM 0 HH21 ARG B 33 -17.584 8.249 2.662 1.00 11.51 H new ATOM 0 HH22 ARG B 33 -17.640 8.599 0.931 1.00 11.51 H new ATOM 2085 N ARG B 34 -13.324 4.337 7.323 1.00 24.45 N ATOM 2086 CA ARG B 34 -14.145 3.646 8.331 1.00 41.43 C ATOM 2087 C ARG B 34 -14.017 4.411 9.668 1.00 5.13 C ATOM 2088 O ARG B 34 -14.983 5.033 10.132 1.00 14.22 O ATOM 2089 CB ARG B 34 -13.681 2.146 8.457 1.00 5.23 C ATOM 2090 CG ARG B 34 -14.714 1.110 9.003 1.00 54.52 C ATOM 2091 CD ARG B 34 -15.053 1.236 10.510 1.00 13.11 C ATOM 2092 NE ARG B 34 -15.976 2.352 10.815 1.00 12.31 N ATOM 2093 CZ ARG B 34 -16.514 2.613 12.025 1.00 44.21 C ATOM 2094 NH1 ARG B 34 -16.254 1.844 13.078 1.00 11.53 N ATOM 2095 NH2 ARG B 34 -17.303 3.670 12.176 1.00 73.42 N ATOM 0 H ARG B 34 -12.528 3.789 6.996 1.00 24.45 H new ATOM 0 HA ARG B 34 -15.195 3.633 8.039 1.00 41.43 H new ATOM 0 HB2 ARG B 34 -13.359 1.811 7.471 1.00 5.23 H new ATOM 0 HB3 ARG B 34 -12.805 2.119 9.105 1.00 5.23 H new ATOM 0 HG2 ARG B 34 -15.637 1.208 8.432 1.00 54.52 H new ATOM 0 HG3 ARG B 34 -14.329 0.107 8.818 1.00 54.52 H new ATOM 0 HD2 ARG B 34 -15.498 0.302 10.854 1.00 13.11 H new ATOM 0 HD3 ARG B 34 -14.129 1.375 11.072 1.00 13.11 H new ATOM 0 HE ARG B 34 -16.226 2.975 10.047 1.00 12.31 H new ATOM 0 HH11 ARG B 34 -15.637 1.038 12.981 1.00 11.53 H new ATOM 0 HH12 ARG B 34 -16.672 2.060 13.983 1.00 11.53 H new ATOM 0 HH21 ARG B 34 -17.499 4.278 11.381 1.00 73.42 H new ATOM 0 HH22 ARG B 34 -17.713 3.874 13.087 1.00 73.42 H new ATOM 2109 N ALA B 35 -12.800 4.395 10.232 1.00 12.55 N ATOM 2110 CA ALA B 35 -12.505 4.968 11.561 1.00 53.02 C ATOM 2111 C ALA B 35 -10.998 4.892 11.825 1.00 15.35 C ATOM 2112 O ALA B 35 -10.357 5.890 12.171 1.00 12.45 O ATOM 2113 CB ALA B 35 -13.280 4.222 12.675 1.00 33.22 C ATOM 0 H ALA B 35 -11.985 3.982 9.779 1.00 12.55 H new ATOM 0 HA ALA B 35 -12.826 6.010 11.570 1.00 53.02 H new ATOM 0 HB1 ALA B 35 -13.043 4.665 13.642 1.00 33.22 H new ATOM 0 HB2 ALA B 35 -14.351 4.304 12.491 1.00 33.22 H new ATOM 0 HB3 ALA B 35 -12.992 3.171 12.677 1.00 33.22 H new ATOM 2119 N PHE B 36 -10.445 3.682 11.653 1.00 70.21 N ATOM 2120 CA PHE B 36 -9.019 3.401 11.889 1.00 23.02 C ATOM 2121 C PHE B 36 -8.285 3.276 10.540 1.00 42.23 C ATOM 2122 O PHE B 36 -8.869 2.831 9.545 1.00 43.20 O ATOM 2123 CB PHE B 36 -8.868 2.103 12.731 1.00 34.41 C ATOM 2124 CG PHE B 36 -7.428 1.768 13.153 1.00 74.34 C ATOM 2125 CD1 PHE B 36 -6.678 2.662 13.925 1.00 34.44 C ATOM 2126 CD2 PHE B 36 -6.828 0.558 12.791 1.00 11.54 C ATOM 2127 CE1 PHE B 36 -5.381 2.356 14.308 1.00 12.13 C ATOM 2128 CE2 PHE B 36 -5.535 0.254 13.173 1.00 64.22 C ATOM 2129 CZ PHE B 36 -4.811 1.151 13.933 1.00 63.40 C ATOM 0 H PHE B 36 -10.976 2.867 11.345 1.00 70.21 H new ATOM 0 HA PHE B 36 -8.572 4.222 12.449 1.00 23.02 H new ATOM 0 HB2 PHE B 36 -9.481 2.195 13.627 1.00 34.41 H new ATOM 0 HB3 PHE B 36 -9.267 1.267 12.157 1.00 34.41 H new ATOM 0 HD1 PHE B 36 -7.115 3.603 14.226 1.00 34.44 H new ATOM 0 HD2 PHE B 36 -7.386 -0.154 12.201 1.00 11.54 H new ATOM 0 HE1 PHE B 36 -4.814 3.059 14.900 1.00 12.13 H new ATOM 0 HE2 PHE B 36 -5.091 -0.685 12.877 1.00 64.22 H new ATOM 0 HZ PHE B 36 -3.802 0.913 14.235 1.00 63.40 H new ATOM 2139 N ASN B 37 -7.004 3.675 10.532 1.00 63.41 N ATOM 2140 CA ASN B 37 -6.128 3.605 9.346 1.00 43.21 C ATOM 2141 C ASN B 37 -5.576 2.185 9.166 1.00 62.31 C ATOM 2142 O ASN B 37 -5.830 1.295 9.982 1.00 44.03 O ATOM 2143 CB ASN B 37 -4.959 4.608 9.504 1.00 2.45 C ATOM 2144 CG ASN B 37 -5.425 6.055 9.643 1.00 31.43 C ATOM 2145 OD1 ASN B 37 -6.374 6.486 8.987 1.00 24.31 O ATOM 2146 ND2 ASN B 37 -4.780 6.809 10.518 1.00 53.13 N ATOM 0 H ASN B 37 -6.540 4.059 11.355 1.00 63.41 H new ATOM 0 HA ASN B 37 -6.712 3.863 8.463 1.00 43.21 H new ATOM 0 HB2 ASN B 37 -4.371 4.336 10.381 1.00 2.45 H new ATOM 0 HB3 ASN B 37 -4.299 4.527 8.640 1.00 2.45 H new ATOM 0 HD21 ASN B 37 -5.065 7.777 10.665 1.00 53.13 H new ATOM 0 HD22 ASN B 37 -3.998 6.422 11.046 1.00 53.13 H new ATOM 2153 N VAL B 38 -4.808 1.982 8.094 1.00 53.20 N ATOM 2154 CA VAL B 38 -4.152 0.701 7.826 1.00 21.04 C ATOM 2155 C VAL B 38 -2.781 0.681 8.535 1.00 71.54 C ATOM 2156 O VAL B 38 -1.942 1.547 8.285 1.00 44.03 O ATOM 2157 CB VAL B 38 -3.980 0.445 6.281 1.00 24.01 C ATOM 2158 CG1 VAL B 38 -3.458 -0.983 6.015 1.00 0.52 C ATOM 2159 CG2 VAL B 38 -5.306 0.702 5.515 1.00 42.14 C ATOM 0 H VAL B 38 -4.624 2.697 7.390 1.00 53.20 H new ATOM 0 HA VAL B 38 -4.781 -0.100 8.213 1.00 21.04 H new ATOM 0 HB VAL B 38 -3.240 1.153 5.908 1.00 24.01 H new ATOM 0 HG11 VAL B 38 -3.347 -1.136 4.941 1.00 0.52 H new ATOM 0 HG12 VAL B 38 -2.491 -1.114 6.502 1.00 0.52 H new ATOM 0 HG13 VAL B 38 -4.166 -1.709 6.414 1.00 0.52 H new ATOM 0 HG21 VAL B 38 -5.154 0.517 4.452 1.00 42.14 H new ATOM 0 HG22 VAL B 38 -6.080 0.034 5.893 1.00 42.14 H new ATOM 0 HG23 VAL B 38 -5.617 1.736 5.662 1.00 42.14 H new ATOM 2169 N GLU B 39 -2.612 -0.280 9.460 1.00 15.12 N ATOM 2170 CA GLU B 39 -1.346 -0.535 10.177 1.00 45.04 C ATOM 2171 C GLU B 39 -0.189 -0.806 9.183 1.00 3.30 C ATOM 2172 O GLU B 39 0.855 -0.146 9.238 1.00 2.01 O ATOM 2173 CB GLU B 39 -1.532 -1.757 11.133 1.00 32.41 C ATOM 2174 CG GLU B 39 -0.298 -2.107 11.996 1.00 3.10 C ATOM 2175 CD GLU B 39 -0.409 -3.461 12.723 1.00 34.11 C ATOM 2176 OE1 GLU B 39 -1.266 -3.602 13.629 1.00 45.03 O ATOM 2177 OE2 GLU B 39 0.358 -4.389 12.382 1.00 62.24 O ATOM 0 H GLU B 39 -3.363 -0.913 9.736 1.00 15.12 H new ATOM 0 HA GLU B 39 -1.087 0.350 10.758 1.00 45.04 H new ATOM 0 HB2 GLU B 39 -2.374 -1.556 11.795 1.00 32.41 H new ATOM 0 HB3 GLU B 39 -1.798 -2.629 10.536 1.00 32.41 H new ATOM 0 HG2 GLU B 39 0.587 -2.119 11.360 1.00 3.10 H new ATOM 0 HG3 GLU B 39 -0.149 -1.320 12.735 1.00 3.10 H new ATOM 2184 N GLY B 40 -0.414 -1.763 8.256 1.00 34.35 N ATOM 2185 CA GLY B 40 0.617 -2.203 7.301 1.00 62.44 C ATOM 2186 C GLY B 40 0.012 -2.680 5.988 1.00 74.12 C ATOM 2187 O GLY B 40 -1.107 -3.165 5.972 1.00 44.24 O ATOM 0 H GLY B 40 -1.307 -2.245 8.152 1.00 34.35 H new ATOM 0 HA2 GLY B 40 1.305 -1.380 7.105 1.00 62.44 H new ATOM 0 HA3 GLY B 40 1.202 -3.009 7.745 1.00 62.44 H new ATOM 2191 N ILE B 41 0.752 -2.540 4.879 1.00 70.12 N ATOM 2192 CA ILE B 41 0.271 -2.881 3.512 1.00 2.14 C ATOM 2193 C ILE B 41 1.320 -3.756 2.805 1.00 51.14 C ATOM 2194 O ILE B 41 2.511 -3.654 3.100 1.00 51.45 O ATOM 2195 CB ILE B 41 0.015 -1.574 2.638 1.00 61.43 C ATOM 2196 CG1 ILE B 41 -0.953 -0.593 3.368 1.00 40.31 C ATOM 2197 CG2 ILE B 41 -0.522 -1.915 1.223 1.00 43.30 C ATOM 2198 CD1 ILE B 41 -1.259 0.691 2.610 1.00 33.20 C ATOM 0 H ILE B 41 1.708 -2.186 4.894 1.00 70.12 H new ATOM 0 HA ILE B 41 -0.672 -3.418 3.613 1.00 2.14 H new ATOM 0 HB ILE B 41 0.980 -1.082 2.513 1.00 61.43 H new ATOM 0 HG12 ILE B 41 -1.891 -1.112 3.567 1.00 40.31 H new ATOM 0 HG13 ILE B 41 -0.522 -0.333 4.335 1.00 40.31 H new ATOM 0 HG21 ILE B 41 -0.682 -0.994 0.663 1.00 43.30 H new ATOM 0 HG22 ILE B 41 0.203 -2.537 0.699 1.00 43.30 H new ATOM 0 HG23 ILE B 41 -1.465 -2.454 1.312 1.00 43.30 H new ATOM 0 HD11 ILE B 41 -1.939 1.307 3.198 1.00 33.20 H new ATOM 0 HD12 ILE B 41 -0.333 1.239 2.434 1.00 33.20 H new ATOM 0 HD13 ILE B 41 -1.724 0.448 1.655 1.00 33.20 H new ATOM 2210 N LEU B 42 0.869 -4.626 1.892 1.00 55.24 N ATOM 2211 CA LEU B 42 1.751 -5.325 0.947 1.00 44.03 C ATOM 2212 C LEU B 42 0.975 -5.615 -0.351 1.00 41.43 C ATOM 2213 O LEU B 42 0.093 -6.455 -0.374 1.00 61.22 O ATOM 2214 CB LEU B 42 2.336 -6.621 1.589 1.00 22.53 C ATOM 2215 CG LEU B 42 3.211 -7.551 0.669 1.00 32.43 C ATOM 2216 CD1 LEU B 42 4.270 -6.768 -0.126 1.00 3.12 C ATOM 2217 CD2 LEU B 42 3.872 -8.659 1.506 1.00 31.11 C ATOM 0 H LEU B 42 -0.117 -4.865 1.787 1.00 55.24 H new ATOM 0 HA LEU B 42 2.602 -4.691 0.700 1.00 44.03 H new ATOM 0 HB2 LEU B 42 2.942 -6.329 2.447 1.00 22.53 H new ATOM 0 HB3 LEU B 42 1.505 -7.212 1.973 1.00 22.53 H new ATOM 0 HG LEU B 42 2.540 -8.004 -0.061 1.00 32.43 H new ATOM 0 HD11 LEU B 42 4.845 -7.458 -0.744 1.00 3.12 H new ATOM 0 HD12 LEU B 42 3.777 -6.034 -0.764 1.00 3.12 H new ATOM 0 HD13 LEU B 42 4.939 -6.256 0.566 1.00 3.12 H new ATOM 0 HD21 LEU B 42 4.474 -9.295 0.857 1.00 31.11 H new ATOM 0 HD22 LEU B 42 4.510 -8.209 2.267 1.00 31.11 H new ATOM 0 HD23 LEU B 42 3.101 -9.260 1.988 1.00 31.11 H new ATOM 2229 N CYS B 43 1.274 -4.852 -1.407 1.00 32.33 N ATOM 2230 CA CYS B 43 0.769 -5.104 -2.765 1.00 1.22 C ATOM 2231 C CYS B 43 1.822 -5.915 -3.539 1.00 31.25 C ATOM 2232 O CYS B 43 2.887 -5.386 -3.889 1.00 33.24 O ATOM 2233 CB CYS B 43 0.466 -3.770 -3.481 1.00 71.05 C ATOM 2234 SG CYS B 43 -0.141 -3.923 -5.176 1.00 53.33 S ATOM 0 H CYS B 43 1.879 -4.033 -1.345 1.00 32.33 H new ATOM 0 HA CYS B 43 -0.160 -5.672 -2.716 1.00 1.22 H new ATOM 0 HB2 CYS B 43 -0.273 -3.223 -2.896 1.00 71.05 H new ATOM 0 HB3 CYS B 43 1.374 -3.168 -3.491 1.00 71.05 H new ATOM 0 HG CYS B 43 -0.672 -5.098 -5.342 1.00 53.33 H new ATOM 2240 N LEU B 44 1.533 -7.208 -3.744 1.00 11.14 N ATOM 2241 CA LEU B 44 2.402 -8.147 -4.472 1.00 4.10 C ATOM 2242 C LEU B 44 1.823 -8.323 -5.889 1.00 41.22 C ATOM 2243 O LEU B 44 0.794 -9.004 -6.047 1.00 53.41 O ATOM 2244 CB LEU B 44 2.438 -9.502 -3.715 1.00 52.35 C ATOM 2245 CG LEU B 44 3.538 -10.538 -4.110 1.00 72.24 C ATOM 2246 CD1 LEU B 44 4.945 -10.030 -3.740 1.00 10.34 C ATOM 2247 CD2 LEU B 44 3.264 -11.908 -3.447 1.00 63.43 C ATOM 0 H LEU B 44 0.674 -7.639 -3.403 1.00 11.14 H new ATOM 0 HA LEU B 44 3.422 -7.769 -4.540 1.00 4.10 H new ATOM 0 HB2 LEU B 44 2.549 -9.287 -2.652 1.00 52.35 H new ATOM 0 HB3 LEU B 44 1.467 -9.981 -3.843 1.00 52.35 H new ATOM 0 HG LEU B 44 3.501 -10.664 -5.192 1.00 72.24 H new ATOM 0 HD11 LEU B 44 5.688 -10.774 -4.028 1.00 10.34 H new ATOM 0 HD12 LEU B 44 5.144 -9.096 -4.265 1.00 10.34 H new ATOM 0 HD13 LEU B 44 4.999 -9.860 -2.665 1.00 10.34 H new ATOM 0 HD21 LEU B 44 4.042 -12.614 -3.736 1.00 63.43 H new ATOM 0 HD22 LEU B 44 3.262 -11.794 -2.363 1.00 63.43 H new ATOM 0 HD23 LEU B 44 2.294 -12.283 -3.774 1.00 63.43 H new ATOM 2259 N PRO B 45 2.419 -7.661 -6.932 1.00 13.24 N ATOM 2260 CA PRO B 45 1.899 -7.742 -8.311 1.00 55.42 C ATOM 2261 C PRO B 45 2.214 -9.103 -8.971 1.00 74.25 C ATOM 2262 O PRO B 45 3.387 -9.476 -9.128 1.00 32.44 O ATOM 2263 CB PRO B 45 2.608 -6.560 -9.025 1.00 14.23 C ATOM 2264 CG PRO B 45 3.905 -6.377 -8.283 1.00 22.05 C ATOM 2265 CD PRO B 45 3.628 -6.781 -6.842 1.00 54.42 C ATOM 0 HA PRO B 45 0.812 -7.673 -8.362 1.00 55.42 H new ATOM 0 HB2 PRO B 45 2.784 -6.783 -10.077 1.00 14.23 H new ATOM 0 HB3 PRO B 45 2.001 -5.655 -8.988 1.00 14.23 H new ATOM 0 HG2 PRO B 45 4.692 -6.994 -8.716 1.00 22.05 H new ATOM 0 HG3 PRO B 45 4.244 -5.342 -8.339 1.00 22.05 H new ATOM 0 HD2 PRO B 45 4.475 -7.312 -6.407 1.00 54.42 H new ATOM 0 HD3 PRO B 45 3.441 -5.910 -6.213 1.00 54.42 H new ATOM 2273 N ILE B 46 1.154 -9.849 -9.330 1.00 15.20 N ATOM 2274 CA ILE B 46 1.293 -11.113 -10.064 1.00 52.21 C ATOM 2275 C ILE B 46 1.645 -10.771 -11.529 1.00 4.43 C ATOM 2276 O ILE B 46 0.804 -10.254 -12.276 1.00 34.40 O ATOM 2277 CB ILE B 46 -0.003 -12.020 -10.010 1.00 74.24 C ATOM 2278 CG1 ILE B 46 -0.356 -12.487 -8.554 1.00 35.34 C ATOM 2279 CG2 ILE B 46 0.138 -13.250 -10.941 1.00 34.22 C ATOM 2280 CD1 ILE B 46 -0.901 -11.415 -7.629 1.00 12.12 C ATOM 0 H ILE B 46 0.189 -9.594 -9.121 1.00 15.20 H new ATOM 0 HA ILE B 46 2.080 -11.698 -9.588 1.00 52.21 H new ATOM 0 HB ILE B 46 -0.826 -11.397 -10.362 1.00 74.24 H new ATOM 0 HG12 ILE B 46 -1.089 -13.291 -8.619 1.00 35.34 H new ATOM 0 HG13 ILE B 46 0.541 -12.909 -8.101 1.00 35.34 H new ATOM 0 HG21 ILE B 46 -0.767 -13.855 -10.884 1.00 34.22 H new ATOM 0 HG22 ILE B 46 0.286 -12.914 -11.967 1.00 34.22 H new ATOM 0 HG23 ILE B 46 0.994 -13.847 -10.628 1.00 34.22 H new ATOM 0 HD11 ILE B 46 -1.110 -11.850 -6.651 1.00 12.12 H new ATOM 0 HD12 ILE B 46 -0.165 -10.618 -7.522 1.00 12.12 H new ATOM 0 HD13 ILE B 46 -1.820 -11.006 -8.048 1.00 12.12 H new ATOM 2292 N GLN B 47 2.904 -11.041 -11.902 1.00 12.12 N ATOM 2293 CA GLN B 47 3.456 -10.763 -13.246 1.00 51.31 C ATOM 2294 C GLN B 47 2.716 -11.520 -14.371 1.00 44.11 C ATOM 2295 O GLN B 47 2.756 -11.108 -15.536 1.00 70.31 O ATOM 2296 CB GLN B 47 4.963 -11.137 -13.261 1.00 10.41 C ATOM 2297 CG GLN B 47 5.258 -12.615 -12.918 1.00 74.50 C ATOM 2298 CD GLN B 47 6.745 -12.983 -12.960 1.00 23.11 C ATOM 2299 OE1 GLN B 47 7.616 -12.163 -12.672 1.00 24.22 O ATOM 2300 NE2 GLN B 47 7.044 -14.222 -13.324 1.00 24.11 N ATOM 0 H GLN B 47 3.583 -11.466 -11.271 1.00 12.12 H new ATOM 0 HA GLN B 47 3.319 -9.700 -13.443 1.00 51.31 H new ATOM 0 HB2 GLN B 47 5.369 -10.918 -14.248 1.00 10.41 H new ATOM 0 HB3 GLN B 47 5.490 -10.500 -12.551 1.00 10.41 H new ATOM 0 HG2 GLN B 47 4.870 -12.830 -11.923 1.00 74.50 H new ATOM 0 HG3 GLN B 47 4.717 -13.254 -13.616 1.00 74.50 H new ATOM 0 HE21 GLN B 47 6.299 -14.879 -13.557 1.00 24.11 H new ATOM 0 HE22 GLN B 47 8.019 -14.518 -13.371 1.00 24.11 H new ATOM 2309 N ASP B 48 2.052 -12.622 -13.998 1.00 74.04 N ATOM 2310 CA ASP B 48 1.398 -13.545 -14.938 1.00 31.22 C ATOM 2311 C ASP B 48 0.168 -12.924 -15.642 1.00 63.30 C ATOM 2312 O ASP B 48 -0.015 -13.119 -16.845 1.00 4.15 O ATOM 2313 CB ASP B 48 1.004 -14.837 -14.171 1.00 62.13 C ATOM 2314 CG ASP B 48 0.167 -15.838 -14.994 1.00 14.44 C ATOM 2315 OD1 ASP B 48 0.740 -16.611 -15.779 1.00 15.32 O ATOM 2316 OD2 ASP B 48 -1.074 -15.858 -14.857 1.00 2.52 O ATOM 0 H ASP B 48 1.952 -12.902 -13.022 1.00 74.04 H new ATOM 0 HA ASP B 48 2.107 -13.776 -15.733 1.00 31.22 H new ATOM 0 HB2 ASP B 48 1.913 -15.335 -13.832 1.00 62.13 H new ATOM 0 HB3 ASP B 48 0.442 -14.558 -13.280 1.00 62.13 H new ATOM 2321 N SER B 49 -0.664 -12.173 -14.892 1.00 55.22 N ATOM 2322 CA SER B 49 -1.968 -11.658 -15.399 1.00 13.15 C ATOM 2323 C SER B 49 -2.383 -10.356 -14.685 1.00 42.45 C ATOM 2324 O SER B 49 -1.648 -9.847 -13.830 1.00 14.51 O ATOM 2325 CB SER B 49 -3.071 -12.741 -15.225 1.00 11.50 C ATOM 2326 OG SER B 49 -2.848 -13.860 -16.068 1.00 12.54 O ATOM 0 H SER B 49 -0.462 -11.905 -13.929 1.00 55.22 H new ATOM 0 HA SER B 49 -1.848 -11.430 -16.458 1.00 13.15 H new ATOM 0 HB2 SER B 49 -3.098 -13.069 -14.186 1.00 11.50 H new ATOM 0 HB3 SER B 49 -4.045 -12.306 -15.448 1.00 11.50 H new ATOM 0 HG SER B 49 -2.250 -14.494 -15.619 1.00 12.54 H new ATOM 2332 N ASP B 50 -3.574 -9.825 -15.068 1.00 3.04 N ATOM 2333 CA ASP B 50 -4.185 -8.629 -14.447 1.00 61.10 C ATOM 2334 C ASP B 50 -4.698 -8.972 -13.037 1.00 52.54 C ATOM 2335 O ASP B 50 -5.893 -9.253 -12.847 1.00 63.31 O ATOM 2336 CB ASP B 50 -5.363 -8.089 -15.317 1.00 51.32 C ATOM 2337 CG ASP B 50 -4.942 -7.542 -16.687 1.00 4.14 C ATOM 2338 OD1 ASP B 50 -4.458 -8.328 -17.529 1.00 71.01 O ATOM 2339 OD2 ASP B 50 -5.134 -6.329 -16.943 1.00 31.14 O ATOM 0 H ASP B 50 -4.137 -10.220 -15.821 1.00 3.04 H new ATOM 0 HA ASP B 50 -3.422 -7.854 -14.378 1.00 61.10 H new ATOM 0 HB2 ASP B 50 -6.085 -8.891 -15.466 1.00 51.32 H new ATOM 0 HB3 ASP B 50 -5.873 -7.299 -14.766 1.00 51.32 H new ATOM 2344 N LYS B 51 -3.774 -9.011 -12.070 1.00 64.21 N ATOM 2345 CA LYS B 51 -4.087 -9.289 -10.665 1.00 4.31 C ATOM 2346 C LYS B 51 -2.895 -8.906 -9.769 1.00 2.45 C ATOM 2347 O LYS B 51 -1.731 -9.021 -10.170 1.00 65.21 O ATOM 2348 CB LYS B 51 -4.494 -10.784 -10.481 1.00 11.31 C ATOM 2349 CG LYS B 51 -3.478 -11.807 -11.031 1.00 54.04 C ATOM 2350 CD LYS B 51 -3.972 -13.273 -10.938 1.00 24.22 C ATOM 2351 CE LYS B 51 -5.223 -13.538 -11.798 1.00 45.21 C ATOM 2352 NZ LYS B 51 -5.639 -14.969 -11.760 1.00 75.31 N ATOM 0 H LYS B 51 -2.782 -8.849 -12.242 1.00 64.21 H new ATOM 0 HA LYS B 51 -4.939 -8.680 -10.362 1.00 4.31 H new ATOM 0 HB2 LYS B 51 -4.642 -10.977 -9.419 1.00 11.31 H new ATOM 0 HB3 LYS B 51 -5.454 -10.947 -10.972 1.00 11.31 H new ATOM 0 HG2 LYS B 51 -3.261 -11.569 -12.072 1.00 54.04 H new ATOM 0 HG3 LYS B 51 -2.542 -11.711 -10.481 1.00 54.04 H new ATOM 0 HD2 LYS B 51 -3.171 -13.942 -11.254 1.00 24.22 H new ATOM 0 HD3 LYS B 51 -4.195 -13.511 -9.898 1.00 24.22 H new ATOM 0 HE2 LYS B 51 -6.044 -12.913 -11.445 1.00 45.21 H new ATOM 0 HE3 LYS B 51 -5.022 -13.247 -12.829 1.00 45.21 H new ATOM 0 HZ1 LYS B 51 -6.484 -15.101 -12.352 1.00 75.31 H new ATOM 0 HZ2 LYS B 51 -4.867 -15.565 -12.121 1.00 75.31 H new ATOM 0 HZ3 LYS B 51 -5.857 -15.241 -10.780 1.00 75.31 H new ATOM 2366 N SER B 52 -3.215 -8.442 -8.561 1.00 64.50 N ATOM 2367 CA SER B 52 -2.246 -8.063 -7.533 1.00 60.43 C ATOM 2368 C SER B 52 -2.929 -8.241 -6.177 1.00 3.45 C ATOM 2369 O SER B 52 -4.046 -7.766 -5.995 1.00 50.13 O ATOM 2370 CB SER B 52 -1.786 -6.598 -7.727 1.00 64.34 C ATOM 2371 OG SER B 52 -0.805 -6.237 -6.772 1.00 31.04 O ATOM 0 H SER B 52 -4.182 -8.316 -8.262 1.00 64.50 H new ATOM 0 HA SER B 52 -1.356 -8.689 -7.598 1.00 60.43 H new ATOM 0 HB2 SER B 52 -1.383 -6.471 -8.732 1.00 64.34 H new ATOM 0 HB3 SER B 52 -2.644 -5.931 -7.641 1.00 64.34 H new ATOM 0 HG SER B 52 -0.532 -5.307 -6.919 1.00 31.04 H new ATOM 2377 N HIS B 53 -2.288 -8.957 -5.243 1.00 72.34 N ATOM 2378 CA HIS B 53 -2.851 -9.190 -3.899 1.00 21.13 C ATOM 2379 C HIS B 53 -2.348 -8.095 -2.947 1.00 32.44 C ATOM 2380 O HIS B 53 -1.145 -8.009 -2.687 1.00 51.34 O ATOM 2381 CB HIS B 53 -2.425 -10.578 -3.354 1.00 33.21 C ATOM 2382 CG HIS B 53 -2.744 -11.766 -4.223 1.00 32.10 C ATOM 2383 ND1 HIS B 53 -1.838 -12.764 -4.514 1.00 4.00 N ATOM 2384 CD2 HIS B 53 -3.887 -12.134 -4.824 1.00 54.45 C ATOM 2385 CE1 HIS B 53 -2.428 -13.689 -5.242 1.00 75.24 C ATOM 2386 NE2 HIS B 53 -3.672 -13.329 -5.449 1.00 60.30 N ATOM 0 H HIS B 53 -1.375 -9.388 -5.391 1.00 72.34 H new ATOM 0 HA HIS B 53 -3.939 -9.163 -3.966 1.00 21.13 H new ATOM 0 HB2 HIS B 53 -1.349 -10.561 -3.180 1.00 33.21 H new ATOM 0 HB3 HIS B 53 -2.902 -10.726 -2.385 1.00 33.21 H new ATOM 0 HD1 HIS B 53 -0.864 -12.783 -4.213 1.00 4.00 H new ATOM 0 HD2 HIS B 53 -4.815 -11.581 -4.815 1.00 54.45 H new ATOM 0 HE1 HIS B 53 -1.965 -14.593 -5.608 1.00 75.24 H new ATOM 2395 N ILE B 54 -3.261 -7.248 -2.455 1.00 60.42 N ATOM 2396 CA ILE B 54 -2.934 -6.194 -1.480 1.00 50.32 C ATOM 2397 C ILE B 54 -3.438 -6.650 -0.104 1.00 21.00 C ATOM 2398 O ILE B 54 -4.648 -6.720 0.113 1.00 25.44 O ATOM 2399 CB ILE B 54 -3.562 -4.779 -1.834 1.00 21.24 C ATOM 2400 CG1 ILE B 54 -3.157 -4.263 -3.256 1.00 33.34 C ATOM 2401 CG2 ILE B 54 -3.169 -3.732 -0.769 1.00 72.33 C ATOM 2402 CD1 ILE B 54 -3.780 -5.002 -4.416 1.00 42.23 C ATOM 0 H ILE B 54 -4.246 -7.272 -2.719 1.00 60.42 H new ATOM 0 HA ILE B 54 -1.853 -6.055 -1.493 1.00 50.32 H new ATOM 0 HB ILE B 54 -4.643 -4.918 -1.839 1.00 21.24 H new ATOM 0 HG12 ILE B 54 -3.426 -3.210 -3.332 1.00 33.34 H new ATOM 0 HG13 ILE B 54 -2.073 -4.322 -3.350 1.00 33.34 H new ATOM 0 HG21 ILE B 54 -3.608 -2.768 -1.027 1.00 72.33 H new ATOM 0 HG22 ILE B 54 -3.538 -4.049 0.206 1.00 72.33 H new ATOM 0 HG23 ILE B 54 -2.084 -3.639 -0.734 1.00 72.33 H new ATOM 0 HD11 ILE B 54 -3.434 -4.566 -5.353 1.00 42.23 H new ATOM 0 HD12 ILE B 54 -3.491 -6.052 -4.376 1.00 42.23 H new ATOM 0 HD13 ILE B 54 -4.865 -4.922 -4.357 1.00 42.23 H new ATOM 2414 N TRP B 55 -2.504 -6.999 0.797 1.00 34.23 N ATOM 2415 CA TRP B 55 -2.820 -7.394 2.176 1.00 21.43 C ATOM 2416 C TRP B 55 -2.845 -6.143 3.071 1.00 41.33 C ATOM 2417 O TRP B 55 -1.801 -5.535 3.333 1.00 2.32 O ATOM 2418 CB TRP B 55 -1.787 -8.427 2.689 1.00 62.23 C ATOM 2419 CG TRP B 55 -1.796 -9.726 1.902 1.00 34.14 C ATOM 2420 CD1 TRP B 55 -2.626 -10.791 2.073 1.00 14.35 C ATOM 2421 CD2 TRP B 55 -0.957 -10.071 0.806 1.00 54.20 C ATOM 2422 NE1 TRP B 55 -2.325 -11.782 1.181 1.00 54.13 N ATOM 2423 CE2 TRP B 55 -1.315 -11.358 0.379 1.00 64.20 C ATOM 2424 CE3 TRP B 55 0.060 -9.414 0.154 1.00 5.33 C ATOM 2425 CZ2 TRP B 55 -0.682 -11.996 -0.680 1.00 75.23 C ATOM 2426 CZ3 TRP B 55 0.683 -10.031 -0.891 1.00 22.41 C ATOM 2427 CH2 TRP B 55 0.311 -11.315 -1.308 1.00 5.55 C ATOM 0 H TRP B 55 -1.506 -7.014 0.586 1.00 34.23 H new ATOM 0 HA TRP B 55 -3.803 -7.865 2.205 1.00 21.43 H new ATOM 0 HB2 TRP B 55 -0.790 -7.988 2.642 1.00 62.23 H new ATOM 0 HB3 TRP B 55 -1.990 -8.644 3.738 1.00 62.23 H new ATOM 0 HD1 TRP B 55 -3.413 -10.846 2.811 1.00 14.35 H new ATOM 0 HE1 TRP B 55 -2.784 -12.691 1.127 1.00 54.13 H new ATOM 0 HE3 TRP B 55 0.361 -8.424 0.465 1.00 5.33 H new ATOM 0 HZ2 TRP B 55 -0.967 -12.990 -0.990 1.00 75.23 H new ATOM 0 HZ3 TRP B 55 1.480 -9.518 -1.408 1.00 22.41 H new ATOM 0 HH2 TRP B 55 0.822 -11.771 -2.143 1.00 5.55 H new ATOM 2438 N LEU B 56 -4.055 -5.739 3.487 1.00 12.40 N ATOM 2439 CA LEU B 56 -4.274 -4.558 4.335 1.00 73.53 C ATOM 2440 C LEU B 56 -4.452 -4.983 5.802 1.00 12.10 C ATOM 2441 O LEU B 56 -5.434 -5.635 6.150 1.00 55.45 O ATOM 2442 CB LEU B 56 -5.513 -3.766 3.831 1.00 25.51 C ATOM 2443 CG LEU B 56 -5.366 -3.134 2.410 1.00 73.05 C ATOM 2444 CD1 LEU B 56 -6.675 -2.481 1.947 1.00 23.10 C ATOM 2445 CD2 LEU B 56 -4.207 -2.119 2.375 1.00 55.12 C ATOM 0 H LEU B 56 -4.916 -6.227 3.242 1.00 12.40 H new ATOM 0 HA LEU B 56 -3.402 -3.907 4.274 1.00 73.53 H new ATOM 0 HB2 LEU B 56 -6.374 -4.434 3.826 1.00 25.51 H new ATOM 0 HB3 LEU B 56 -5.730 -2.971 4.544 1.00 25.51 H new ATOM 0 HG LEU B 56 -5.134 -3.941 1.715 1.00 73.05 H new ATOM 0 HD11 LEU B 56 -6.536 -2.052 0.955 1.00 23.10 H new ATOM 0 HD12 LEU B 56 -7.463 -3.233 1.910 1.00 23.10 H new ATOM 0 HD13 LEU B 56 -6.956 -1.694 2.647 1.00 23.10 H new ATOM 0 HD21 LEU B 56 -4.126 -1.694 1.375 1.00 55.12 H new ATOM 0 HD22 LEU B 56 -4.399 -1.322 3.094 1.00 55.12 H new ATOM 0 HD23 LEU B 56 -3.275 -2.622 2.632 1.00 55.12 H new ATOM 2457 N LEU B 57 -3.482 -4.604 6.639 1.00 5.41 N ATOM 2458 CA LEU B 57 -3.470 -4.892 8.079 1.00 2.02 C ATOM 2459 C LEU B 57 -4.217 -3.770 8.802 1.00 35.54 C ATOM 2460 O LEU B 57 -3.757 -2.640 8.831 1.00 11.51 O ATOM 2461 CB LEU B 57 -2.012 -5.002 8.625 1.00 55.32 C ATOM 2462 CG LEU B 57 -1.210 -6.293 8.258 1.00 4.32 C ATOM 2463 CD1 LEU B 57 -1.006 -6.463 6.735 1.00 44.44 C ATOM 2464 CD2 LEU B 57 0.133 -6.320 9.006 1.00 0.45 C ATOM 0 H LEU B 57 -2.665 -4.077 6.329 1.00 5.41 H new ATOM 0 HA LEU B 57 -3.958 -5.850 8.255 1.00 2.02 H new ATOM 0 HB2 LEU B 57 -1.450 -4.141 8.265 1.00 55.32 H new ATOM 0 HB3 LEU B 57 -2.051 -4.925 9.712 1.00 55.32 H new ATOM 0 HG LEU B 57 -1.810 -7.144 8.580 1.00 4.32 H new ATOM 0 HD11 LEU B 57 -0.443 -7.376 6.543 1.00 44.44 H new ATOM 0 HD12 LEU B 57 -1.976 -6.525 6.243 1.00 44.44 H new ATOM 0 HD13 LEU B 57 -0.454 -5.608 6.344 1.00 44.44 H new ATOM 0 HD21 LEU B 57 0.680 -7.225 8.740 1.00 0.45 H new ATOM 0 HD22 LEU B 57 0.722 -5.446 8.728 1.00 0.45 H new ATOM 0 HD23 LEU B 57 -0.049 -6.309 10.081 1.00 0.45 H new ATOM 2476 N VAL B 58 -5.394 -4.096 9.331 1.00 53.43 N ATOM 2477 CA VAL B 58 -6.266 -3.146 10.052 1.00 14.51 C ATOM 2478 C VAL B 58 -7.072 -3.931 11.085 1.00 4.14 C ATOM 2479 O VAL B 58 -7.325 -5.107 10.873 1.00 50.21 O ATOM 2480 CB VAL B 58 -7.232 -2.407 9.045 1.00 3.24 C ATOM 2481 CG1 VAL B 58 -8.168 -3.395 8.309 1.00 63.15 C ATOM 2482 CG2 VAL B 58 -8.029 -1.264 9.723 1.00 22.11 C ATOM 0 H VAL B 58 -5.782 -5.038 9.275 1.00 53.43 H new ATOM 0 HA VAL B 58 -5.661 -2.387 10.547 1.00 14.51 H new ATOM 0 HB VAL B 58 -6.595 -1.944 8.292 1.00 3.24 H new ATOM 0 HG11 VAL B 58 -8.815 -2.844 7.627 1.00 63.15 H new ATOM 0 HG12 VAL B 58 -7.570 -4.110 7.744 1.00 63.15 H new ATOM 0 HG13 VAL B 58 -8.779 -3.928 9.037 1.00 63.15 H new ATOM 0 HG21 VAL B 58 -8.678 -0.788 8.988 1.00 22.11 H new ATOM 0 HG22 VAL B 58 -8.635 -1.673 10.532 1.00 22.11 H new ATOM 0 HG23 VAL B 58 -7.335 -0.526 10.126 1.00 22.11 H new ATOM 2492 N ASN B 59 -7.450 -3.317 12.212 1.00 70.12 N ATOM 2493 CA ASN B 59 -8.305 -4.009 13.197 1.00 10.24 C ATOM 2494 C ASN B 59 -9.702 -4.274 12.584 1.00 34.31 C ATOM 2495 O ASN B 59 -10.291 -3.380 11.953 1.00 31.30 O ATOM 2496 CB ASN B 59 -8.408 -3.214 14.529 1.00 73.14 C ATOM 2497 CG ASN B 59 -9.238 -1.913 14.479 1.00 41.21 C ATOM 2498 OD1 ASN B 59 -9.846 -1.518 15.469 1.00 44.01 O ATOM 2499 ND2 ASN B 59 -9.280 -1.232 13.342 1.00 72.13 N ATOM 0 H ASN B 59 -7.188 -2.365 12.466 1.00 70.12 H new ATOM 0 HA ASN B 59 -7.844 -4.966 13.441 1.00 10.24 H new ATOM 0 HB2 ASN B 59 -8.840 -3.868 15.287 1.00 73.14 H new ATOM 0 HB3 ASN B 59 -7.399 -2.966 14.860 1.00 73.14 H new ATOM 0 HD21 ASN B 59 -9.822 -0.370 13.284 1.00 72.13 H new ATOM 0 HD22 ASN B 59 -8.770 -1.570 12.526 1.00 72.13 H new ATOM 2506 N ASP B 60 -10.186 -5.521 12.703 1.00 43.32 N ATOM 2507 CA ASP B 60 -11.513 -5.906 12.200 1.00 34.23 C ATOM 2508 C ASP B 60 -12.599 -5.240 13.050 1.00 43.25 C ATOM 2509 O ASP B 60 -12.516 -5.244 14.281 1.00 43.44 O ATOM 2510 CB ASP B 60 -11.687 -7.446 12.189 1.00 61.42 C ATOM 2511 CG ASP B 60 -12.980 -7.904 11.476 1.00 31.40 C ATOM 2512 OD1 ASP B 60 -13.107 -7.648 10.255 1.00 1.42 O ATOM 2513 OD2 ASP B 60 -13.850 -8.543 12.117 1.00 12.22 O ATOM 0 H ASP B 60 -9.674 -6.283 13.146 1.00 43.32 H new ATOM 0 HA ASP B 60 -11.607 -5.562 11.170 1.00 34.23 H new ATOM 0 HB2 ASP B 60 -10.827 -7.900 11.696 1.00 61.42 H new ATOM 0 HB3 ASP B 60 -11.696 -7.812 13.216 1.00 61.42 H new ATOM 2518 N ASP B 61 -13.599 -4.668 12.377 1.00 73.53 N ATOM 2519 CA ASP B 61 -14.667 -3.874 13.001 1.00 3.53 C ATOM 2520 C ASP B 61 -15.990 -4.224 12.313 1.00 11.11 C ATOM 2521 O ASP B 61 -15.982 -4.658 11.162 1.00 74.40 O ATOM 2522 CB ASP B 61 -14.332 -2.360 12.846 1.00 4.11 C ATOM 2523 CG ASP B 61 -15.387 -1.412 13.457 1.00 53.33 C ATOM 2524 OD1 ASP B 61 -15.290 -1.077 14.659 1.00 31.53 O ATOM 2525 OD2 ASP B 61 -16.311 -0.992 12.725 1.00 4.23 O ATOM 0 H ASP B 61 -13.694 -4.743 11.364 1.00 73.53 H new ATOM 0 HA ASP B 61 -14.752 -4.096 14.065 1.00 3.53 H new ATOM 0 HB2 ASP B 61 -13.368 -2.163 13.315 1.00 4.11 H new ATOM 0 HB3 ASP B 61 -14.224 -2.130 11.786 1.00 4.11 H new ATOM 2530 N GLN B 62 -17.106 -3.997 13.018 1.00 14.14 N ATOM 2531 CA GLN B 62 -18.470 -4.299 12.534 1.00 71.12 C ATOM 2532 C GLN B 62 -18.748 -3.634 11.167 1.00 43.41 C ATOM 2533 O GLN B 62 -19.270 -4.262 10.243 1.00 13.15 O ATOM 2534 CB GLN B 62 -19.505 -3.811 13.584 1.00 32.31 C ATOM 2535 CG GLN B 62 -19.337 -4.408 14.997 1.00 74.42 C ATOM 2536 CD GLN B 62 -19.644 -5.906 15.068 1.00 42.34 C ATOM 2537 OE1 GLN B 62 -18.763 -6.750 14.903 1.00 32.33 O ATOM 2538 NE2 GLN B 62 -20.902 -6.245 15.306 1.00 50.42 N ATOM 0 H GLN B 62 -17.092 -3.593 13.954 1.00 14.14 H new ATOM 0 HA GLN B 62 -18.557 -5.377 12.399 1.00 71.12 H new ATOM 0 HB2 GLN B 62 -19.442 -2.725 13.656 1.00 32.31 H new ATOM 0 HB3 GLN B 62 -20.505 -4.049 13.223 1.00 32.31 H new ATOM 0 HG2 GLN B 62 -18.315 -4.238 15.335 1.00 74.42 H new ATOM 0 HG3 GLN B 62 -19.993 -3.878 15.687 1.00 74.42 H new ATOM 0 HE21 GLN B 62 -21.609 -5.522 15.438 1.00 50.42 H new ATOM 0 HE22 GLN B 62 -21.164 -7.229 15.357 1.00 50.42 H new ATOM 2547 N ARG B 63 -18.356 -2.355 11.065 1.00 11.24 N ATOM 2548 CA ARG B 63 -18.557 -1.529 9.863 1.00 63.52 C ATOM 2549 C ARG B 63 -17.474 -1.824 8.822 1.00 51.33 C ATOM 2550 O ARG B 63 -17.713 -1.653 7.625 1.00 13.11 O ATOM 2551 CB ARG B 63 -18.604 -0.009 10.204 1.00 61.32 C ATOM 2552 CG ARG B 63 -19.878 0.456 10.959 1.00 63.05 C ATOM 2553 CD ARG B 63 -19.955 -0.048 12.413 1.00 74.02 C ATOM 2554 NE ARG B 63 -21.264 0.205 13.033 1.00 44.34 N ATOM 2555 CZ ARG B 63 -21.570 -0.069 14.311 1.00 21.05 C ATOM 2556 NH1 ARG B 63 -20.668 -0.605 15.133 1.00 64.43 N ATOM 2557 NH2 ARG B 63 -22.794 0.180 14.756 1.00 22.03 N ATOM 0 H ARG B 63 -17.886 -1.859 11.822 1.00 11.24 H new ATOM 0 HA ARG B 63 -19.526 -1.793 9.440 1.00 63.52 H new ATOM 0 HB2 ARG B 63 -17.731 0.239 10.808 1.00 61.32 H new ATOM 0 HB3 ARG B 63 -18.522 0.558 9.277 1.00 61.32 H new ATOM 0 HG2 ARG B 63 -19.912 1.545 10.959 1.00 63.05 H new ATOM 0 HG3 ARG B 63 -20.758 0.110 10.417 1.00 63.05 H new ATOM 0 HD2 ARG B 63 -19.749 -1.118 12.434 1.00 74.02 H new ATOM 0 HD3 ARG B 63 -19.178 0.438 13.003 1.00 74.02 H new ATOM 0 HE ARG B 63 -21.992 0.618 12.450 1.00 44.34 H new ATOM 0 HH11 ARG B 63 -19.729 -0.813 14.794 1.00 64.43 H new ATOM 0 HH12 ARG B 63 -20.917 -0.807 16.101 1.00 64.43 H new ATOM 0 HH21 ARG B 63 -23.494 0.576 14.129 1.00 22.03 H new ATOM 0 HH22 ARG B 63 -23.036 -0.025 15.726 1.00 22.03 H new ATOM 2571 N LEU B 64 -16.276 -2.249 9.294 1.00 33.22 N ATOM 2572 CA LEU B 64 -15.167 -2.642 8.405 1.00 64.11 C ATOM 2573 C LEU B 64 -15.611 -3.814 7.515 1.00 41.03 C ATOM 2574 O LEU B 64 -15.391 -3.784 6.318 1.00 21.54 O ATOM 2575 CB LEU B 64 -13.909 -3.061 9.206 1.00 32.54 C ATOM 2576 CG LEU B 64 -12.573 -3.186 8.376 1.00 33.14 C ATOM 2577 CD1 LEU B 64 -11.790 -1.857 8.356 1.00 44.14 C ATOM 2578 CD2 LEU B 64 -11.690 -4.338 8.885 1.00 21.14 C ATOM 0 H LEU B 64 -16.058 -2.327 10.287 1.00 33.22 H new ATOM 0 HA LEU B 64 -14.909 -1.777 7.794 1.00 64.11 H new ATOM 0 HB2 LEU B 64 -13.752 -2.335 10.004 1.00 32.54 H new ATOM 0 HB3 LEU B 64 -14.109 -4.021 9.683 1.00 32.54 H new ATOM 0 HG LEU B 64 -12.858 -3.419 7.350 1.00 33.14 H new ATOM 0 HD11 LEU B 64 -10.876 -1.982 7.775 1.00 44.14 H new ATOM 0 HD12 LEU B 64 -12.405 -1.079 7.903 1.00 44.14 H new ATOM 0 HD13 LEU B 64 -11.535 -1.569 9.376 1.00 44.14 H new ATOM 0 HD21 LEU B 64 -10.780 -4.390 8.287 1.00 21.14 H new ATOM 0 HD22 LEU B 64 -11.429 -4.163 9.929 1.00 21.14 H new ATOM 0 HD23 LEU B 64 -12.234 -5.279 8.800 1.00 21.14 H new ATOM 2590 N GLU B 65 -16.292 -4.808 8.140 1.00 10.33 N ATOM 2591 CA GLU B 65 -16.816 -6.017 7.461 1.00 14.45 C ATOM 2592 C GLU B 65 -17.795 -5.646 6.334 1.00 54.31 C ATOM 2593 O GLU B 65 -17.737 -6.211 5.235 1.00 42.31 O ATOM 2594 CB GLU B 65 -17.531 -6.933 8.487 1.00 60.44 C ATOM 2595 CG GLU B 65 -16.651 -7.381 9.661 1.00 3.22 C ATOM 2596 CD GLU B 65 -17.422 -8.204 10.695 1.00 21.41 C ATOM 2597 OE1 GLU B 65 -18.054 -7.597 11.583 1.00 4.35 O ATOM 2598 OE2 GLU B 65 -17.422 -9.458 10.617 1.00 44.41 O ATOM 0 H GLU B 65 -16.494 -4.791 9.140 1.00 10.33 H new ATOM 0 HA GLU B 65 -15.971 -6.546 7.021 1.00 14.45 H new ATOM 0 HB2 GLU B 65 -18.400 -6.407 8.881 1.00 60.44 H new ATOM 0 HB3 GLU B 65 -17.902 -7.817 7.969 1.00 60.44 H new ATOM 0 HG2 GLU B 65 -15.818 -7.972 9.281 1.00 3.22 H new ATOM 0 HG3 GLU B 65 -16.224 -6.503 10.146 1.00 3.22 H new ATOM 2605 N GLN B 66 -18.681 -4.682 6.642 1.00 35.11 N ATOM 2606 CA GLN B 66 -19.681 -4.144 5.694 1.00 23.13 C ATOM 2607 C GLN B 66 -18.977 -3.495 4.490 1.00 24.13 C ATOM 2608 O GLN B 66 -19.425 -3.612 3.348 1.00 71.23 O ATOM 2609 CB GLN B 66 -20.571 -3.101 6.418 1.00 53.05 C ATOM 2610 CG GLN B 66 -21.264 -3.641 7.684 1.00 73.10 C ATOM 2611 CD GLN B 66 -21.942 -2.559 8.527 1.00 73.43 C ATOM 2612 OE1 GLN B 66 -22.437 -1.555 8.006 1.00 2.42 O ATOM 2613 NE2 GLN B 66 -21.934 -2.732 9.837 1.00 44.51 N ATOM 0 H GLN B 66 -18.726 -4.248 7.564 1.00 35.11 H new ATOM 0 HA GLN B 66 -20.306 -4.960 5.331 1.00 23.13 H new ATOM 0 HB2 GLN B 66 -19.958 -2.242 6.690 1.00 53.05 H new ATOM 0 HB3 GLN B 66 -21.332 -2.743 5.724 1.00 53.05 H new ATOM 0 HG2 GLN B 66 -22.009 -4.380 7.391 1.00 73.10 H new ATOM 0 HG3 GLN B 66 -20.526 -4.158 8.298 1.00 73.10 H new ATOM 0 HE21 GLN B 66 -21.517 -3.572 10.238 1.00 44.51 H new ATOM 0 HE22 GLN B 66 -22.344 -2.025 10.447 1.00 44.51 H new ATOM 2622 N MET B 67 -17.854 -2.823 4.788 1.00 34.24 N ATOM 2623 CA MET B 67 -17.017 -2.136 3.798 1.00 3.32 C ATOM 2624 C MET B 67 -16.168 -3.128 2.969 1.00 41.54 C ATOM 2625 O MET B 67 -15.878 -2.854 1.805 1.00 22.32 O ATOM 2626 CB MET B 67 -16.140 -1.069 4.511 1.00 74.23 C ATOM 2627 CG MET B 67 -16.938 0.140 5.025 1.00 43.21 C ATOM 2628 SD MET B 67 -15.889 1.452 5.681 1.00 31.43 S ATOM 2629 CE MET B 67 -17.106 2.716 6.058 1.00 42.43 C ATOM 0 H MET B 67 -17.498 -2.742 5.740 1.00 34.24 H new ATOM 0 HA MET B 67 -17.666 -1.630 3.083 1.00 3.32 H new ATOM 0 HB2 MET B 67 -15.624 -1.536 5.350 1.00 74.23 H new ATOM 0 HB3 MET B 67 -15.373 -0.720 3.819 1.00 74.23 H new ATOM 0 HG2 MET B 67 -17.544 0.540 4.212 1.00 43.21 H new ATOM 0 HG3 MET B 67 -17.626 -0.190 5.803 1.00 43.21 H new ATOM 0 HE1 MET B 67 -16.609 3.680 6.164 1.00 42.43 H new ATOM 0 HE2 MET B 67 -17.836 2.771 5.250 1.00 42.43 H new ATOM 0 HE3 MET B 67 -17.614 2.466 6.989 1.00 42.43 H new ATOM 2639 N ILE B 68 -15.801 -4.283 3.571 1.00 34.31 N ATOM 2640 CA ILE B 68 -15.113 -5.390 2.861 1.00 31.40 C ATOM 2641 C ILE B 68 -16.069 -5.989 1.810 1.00 61.41 C ATOM 2642 O ILE B 68 -15.668 -6.281 0.679 1.00 75.34 O ATOM 2643 CB ILE B 68 -14.629 -6.519 3.864 1.00 61.44 C ATOM 2644 CG1 ILE B 68 -13.640 -5.941 4.925 1.00 51.23 C ATOM 2645 CG2 ILE B 68 -13.972 -7.704 3.111 1.00 64.45 C ATOM 2646 CD1 ILE B 68 -13.343 -6.861 6.098 1.00 5.24 C ATOM 0 H ILE B 68 -15.972 -4.475 4.558 1.00 34.31 H new ATOM 0 HA ILE B 68 -14.226 -4.986 2.372 1.00 31.40 H new ATOM 0 HB ILE B 68 -15.513 -6.893 4.380 1.00 61.44 H new ATOM 0 HG12 ILE B 68 -12.701 -5.696 4.428 1.00 51.23 H new ATOM 0 HG13 ILE B 68 -14.050 -5.007 5.310 1.00 51.23 H new ATOM 0 HG21 ILE B 68 -13.652 -8.459 3.829 1.00 64.45 H new ATOM 0 HG22 ILE B 68 -14.694 -8.142 2.421 1.00 64.45 H new ATOM 0 HG23 ILE B 68 -13.107 -7.346 2.552 1.00 64.45 H new ATOM 0 HD11 ILE B 68 -12.647 -6.370 6.778 1.00 5.24 H new ATOM 0 HD12 ILE B 68 -14.269 -7.087 6.627 1.00 5.24 H new ATOM 0 HD13 ILE B 68 -12.899 -7.787 5.731 1.00 5.24 H new ATOM 2658 N SER B 69 -17.345 -6.113 2.206 1.00 51.54 N ATOM 2659 CA SER B 69 -18.417 -6.638 1.353 1.00 61.30 C ATOM 2660 C SER B 69 -18.761 -5.643 0.218 1.00 1.33 C ATOM 2661 O SER B 69 -19.053 -6.055 -0.897 1.00 60.30 O ATOM 2662 CB SER B 69 -19.658 -6.926 2.226 1.00 44.14 C ATOM 2663 OG SER B 69 -19.330 -7.759 3.334 1.00 53.12 O ATOM 0 H SER B 69 -17.663 -5.848 3.138 1.00 51.54 H new ATOM 0 HA SER B 69 -18.082 -7.563 0.883 1.00 61.30 H new ATOM 0 HB2 SER B 69 -20.078 -5.987 2.586 1.00 44.14 H new ATOM 0 HB3 SER B 69 -20.427 -7.407 1.621 1.00 44.14 H new ATOM 0 HG SER B 69 -18.807 -7.246 3.985 1.00 53.12 H new ATOM 2669 N GLN B 70 -18.685 -4.333 0.529 1.00 23.00 N ATOM 2670 CA GLN B 70 -19.024 -3.237 -0.406 1.00 41.50 C ATOM 2671 C GLN B 70 -17.970 -3.142 -1.521 1.00 10.54 C ATOM 2672 O GLN B 70 -18.309 -3.151 -2.714 1.00 31.11 O ATOM 2673 CB GLN B 70 -19.121 -1.907 0.415 1.00 31.13 C ATOM 2674 CG GLN B 70 -19.707 -0.653 -0.303 1.00 30.40 C ATOM 2675 CD GLN B 70 -18.750 0.036 -1.292 1.00 61.11 C ATOM 2676 OE1 GLN B 70 -18.759 -0.236 -2.491 1.00 2.30 O ATOM 2677 NE2 GLN B 70 -17.901 0.914 -0.793 1.00 73.41 N ATOM 0 H GLN B 70 -18.384 -4.001 1.445 1.00 23.00 H new ATOM 0 HA GLN B 70 -19.982 -3.429 -0.890 1.00 41.50 H new ATOM 0 HB2 GLN B 70 -19.729 -2.102 1.299 1.00 31.13 H new ATOM 0 HB3 GLN B 70 -18.120 -1.656 0.766 1.00 31.13 H new ATOM 0 HG2 GLN B 70 -20.609 -0.948 -0.839 1.00 30.40 H new ATOM 0 HG3 GLN B 70 -20.008 0.072 0.453 1.00 30.40 H new ATOM 0 HE21 GLN B 70 -17.912 1.124 0.205 1.00 73.41 H new ATOM 0 HE22 GLN B 70 -17.234 1.383 -1.405 1.00 73.41 H new ATOM 2686 N ILE B 71 -16.692 -3.065 -1.114 1.00 71.33 N ATOM 2687 CA ILE B 71 -15.559 -2.931 -2.049 1.00 52.31 C ATOM 2688 C ILE B 71 -15.420 -4.191 -2.929 1.00 5.11 C ATOM 2689 O ILE B 71 -14.956 -4.122 -4.065 1.00 51.11 O ATOM 2690 CB ILE B 71 -14.209 -2.630 -1.293 1.00 21.45 C ATOM 2691 CG1 ILE B 71 -13.092 -2.236 -2.307 1.00 73.23 C ATOM 2692 CG2 ILE B 71 -13.769 -3.812 -0.395 1.00 11.41 C ATOM 2693 CD1 ILE B 71 -11.721 -2.046 -1.711 1.00 14.25 C ATOM 0 H ILE B 71 -16.415 -3.094 -0.133 1.00 71.33 H new ATOM 0 HA ILE B 71 -15.771 -2.079 -2.695 1.00 52.31 H new ATOM 0 HB ILE B 71 -14.383 -1.783 -0.629 1.00 21.45 H new ATOM 0 HG12 ILE B 71 -13.033 -3.007 -3.075 1.00 73.23 H new ATOM 0 HG13 ILE B 71 -13.385 -1.312 -2.805 1.00 73.23 H new ATOM 0 HG21 ILE B 71 -12.834 -3.560 0.106 1.00 11.41 H new ATOM 0 HG22 ILE B 71 -14.539 -4.009 0.351 1.00 11.41 H new ATOM 0 HG23 ILE B 71 -13.623 -4.701 -1.009 1.00 11.41 H new ATOM 0 HD11 ILE B 71 -11.017 -1.774 -2.497 1.00 14.25 H new ATOM 0 HD12 ILE B 71 -11.756 -1.252 -0.965 1.00 14.25 H new ATOM 0 HD13 ILE B 71 -11.398 -2.974 -1.239 1.00 14.25 H new ATOM 2705 N ASP B 72 -15.852 -5.335 -2.374 1.00 71.04 N ATOM 2706 CA ASP B 72 -15.883 -6.623 -3.075 1.00 62.51 C ATOM 2707 C ASP B 72 -16.756 -6.570 -4.344 1.00 33.51 C ATOM 2708 O ASP B 72 -16.439 -7.216 -5.351 1.00 44.35 O ATOM 2709 CB ASP B 72 -16.358 -7.729 -2.091 1.00 53.20 C ATOM 2710 CG ASP B 72 -16.864 -9.017 -2.767 1.00 43.13 C ATOM 2711 OD1 ASP B 72 -16.041 -9.764 -3.325 1.00 51.33 O ATOM 2712 OD2 ASP B 72 -18.088 -9.282 -2.756 1.00 51.34 O ATOM 0 H ASP B 72 -16.193 -5.389 -1.414 1.00 71.04 H new ATOM 0 HA ASP B 72 -14.875 -6.861 -3.415 1.00 62.51 H new ATOM 0 HB2 ASP B 72 -15.533 -7.984 -1.426 1.00 53.20 H new ATOM 0 HB3 ASP B 72 -17.156 -7.324 -1.468 1.00 53.20 H new ATOM 2717 N LYS B 73 -17.835 -5.767 -4.295 1.00 62.43 N ATOM 2718 CA LYS B 73 -18.803 -5.654 -5.405 1.00 23.33 C ATOM 2719 C LYS B 73 -18.232 -4.818 -6.581 1.00 63.22 C ATOM 2720 O LYS B 73 -18.864 -4.721 -7.633 1.00 60.41 O ATOM 2721 CB LYS B 73 -20.148 -5.041 -4.905 1.00 33.22 C ATOM 2722 CG LYS B 73 -20.676 -5.599 -3.557 1.00 25.51 C ATOM 2723 CD LYS B 73 -20.812 -7.144 -3.520 1.00 13.43 C ATOM 2724 CE LYS B 73 -21.903 -7.677 -4.454 1.00 34.34 C ATOM 2725 NZ LYS B 73 -21.938 -9.167 -4.462 1.00 64.35 N ATOM 0 H LYS B 73 -18.061 -5.181 -3.491 1.00 62.43 H new ATOM 0 HA LYS B 73 -18.993 -6.662 -5.775 1.00 23.33 H new ATOM 0 HB2 LYS B 73 -20.022 -3.963 -4.807 1.00 33.22 H new ATOM 0 HB3 LYS B 73 -20.908 -5.205 -5.669 1.00 33.22 H new ATOM 0 HG2 LYS B 73 -20.004 -5.285 -2.758 1.00 25.51 H new ATOM 0 HG3 LYS B 73 -21.649 -5.154 -3.348 1.00 25.51 H new ATOM 0 HD2 LYS B 73 -19.857 -7.593 -3.794 1.00 13.43 H new ATOM 0 HD3 LYS B 73 -21.031 -7.459 -2.500 1.00 13.43 H new ATOM 0 HE2 LYS B 73 -22.873 -7.291 -4.139 1.00 34.34 H new ATOM 0 HE3 LYS B 73 -21.728 -7.311 -5.466 1.00 34.34 H new ATOM 0 HZ1 LYS B 73 -22.688 -9.493 -5.105 1.00 64.35 H new ATOM 0 HZ2 LYS B 73 -21.020 -9.534 -4.786 1.00 64.35 H new ATOM 0 HZ3 LYS B 73 -22.130 -9.515 -3.501 1.00 64.35 H new ATOM 2739 N LEU B 74 -17.043 -4.211 -6.385 1.00 42.14 N ATOM 2740 CA LEU B 74 -16.350 -3.413 -7.418 1.00 60.00 C ATOM 2741 C LEU B 74 -15.609 -4.332 -8.407 1.00 33.44 C ATOM 2742 O LEU B 74 -15.140 -5.400 -8.029 1.00 44.43 O ATOM 2743 CB LEU B 74 -15.361 -2.421 -6.743 1.00 64.34 C ATOM 2744 CG LEU B 74 -16.003 -1.415 -5.740 1.00 70.14 C ATOM 2745 CD1 LEU B 74 -14.950 -0.475 -5.108 1.00 60.52 C ATOM 2746 CD2 LEU B 74 -17.129 -0.621 -6.415 1.00 24.02 C ATOM 0 H LEU B 74 -16.535 -4.261 -5.502 1.00 42.14 H new ATOM 0 HA LEU B 74 -17.091 -2.843 -7.979 1.00 60.00 H new ATOM 0 HB2 LEU B 74 -14.599 -2.996 -6.217 1.00 64.34 H new ATOM 0 HB3 LEU B 74 -14.852 -1.855 -7.523 1.00 64.34 H new ATOM 0 HG LEU B 74 -16.436 -1.995 -4.925 1.00 70.14 H new ATOM 0 HD11 LEU B 74 -15.441 0.209 -4.416 1.00 60.52 H new ATOM 0 HD12 LEU B 74 -14.210 -1.067 -4.569 1.00 60.52 H new ATOM 0 HD13 LEU B 74 -14.455 0.097 -5.893 1.00 60.52 H new ATOM 0 HD21 LEU B 74 -17.564 0.075 -5.698 1.00 24.02 H new ATOM 0 HD22 LEU B 74 -16.725 -0.065 -7.261 1.00 24.02 H new ATOM 0 HD23 LEU B 74 -17.899 -1.308 -6.766 1.00 24.02 H new ATOM 2758 N GLU B 75 -15.510 -3.880 -9.667 1.00 51.41 N ATOM 2759 CA GLU B 75 -14.941 -4.668 -10.787 1.00 44.43 C ATOM 2760 C GLU B 75 -13.396 -4.637 -10.791 1.00 21.04 C ATOM 2761 O GLU B 75 -12.755 -5.560 -11.315 1.00 55.24 O ATOM 2762 CB GLU B 75 -15.484 -4.131 -12.135 1.00 12.40 C ATOM 2763 CG GLU B 75 -17.019 -4.175 -12.274 1.00 3.45 C ATOM 2764 CD GLU B 75 -17.506 -3.561 -13.599 1.00 64.22 C ATOM 2765 OE1 GLU B 75 -17.438 -4.240 -14.643 1.00 64.44 O ATOM 2766 OE2 GLU B 75 -17.935 -2.386 -13.606 1.00 72.43 O ATOM 0 H GLU B 75 -15.823 -2.950 -9.946 1.00 51.41 H new ATOM 0 HA GLU B 75 -15.248 -5.705 -10.651 1.00 44.43 H new ATOM 0 HB2 GLU B 75 -15.151 -3.101 -12.261 1.00 12.40 H new ATOM 0 HB3 GLU B 75 -15.042 -4.710 -12.946 1.00 12.40 H new ATOM 0 HG2 GLU B 75 -17.357 -5.209 -12.210 1.00 3.45 H new ATOM 0 HG3 GLU B 75 -17.472 -3.639 -11.440 1.00 3.45 H new ATOM 2773 N ASP B 76 -12.809 -3.550 -10.240 1.00 71.44 N ATOM 2774 CA ASP B 76 -11.345 -3.439 -10.059 1.00 23.44 C ATOM 2775 C ASP B 76 -10.866 -4.475 -9.036 1.00 64.42 C ATOM 2776 O ASP B 76 -9.799 -5.076 -9.204 1.00 11.12 O ATOM 2777 CB ASP B 76 -10.920 -2.004 -9.652 1.00 52.21 C ATOM 2778 CG ASP B 76 -11.532 -1.492 -8.334 1.00 14.20 C ATOM 2779 OD1 ASP B 76 -12.756 -1.260 -8.312 1.00 71.54 O ATOM 2780 OD2 ASP B 76 -10.799 -1.274 -7.338 1.00 24.01 O ATOM 0 H ASP B 76 -13.329 -2.736 -9.913 1.00 71.44 H new ATOM 0 HA ASP B 76 -10.867 -3.646 -11.017 1.00 23.44 H new ATOM 0 HB2 ASP B 76 -9.834 -1.974 -9.566 1.00 52.21 H new ATOM 0 HB3 ASP B 76 -11.196 -1.319 -10.453 1.00 52.21 H new ATOM 2785 N VAL B 77 -11.683 -4.678 -7.989 1.00 23.22 N ATOM 2786 CA VAL B 77 -11.559 -5.821 -7.093 1.00 52.45 C ATOM 2787 C VAL B 77 -11.966 -7.110 -7.850 1.00 51.44 C ATOM 2788 O VAL B 77 -13.111 -7.273 -8.284 1.00 3.45 O ATOM 2789 CB VAL B 77 -12.419 -5.621 -5.778 1.00 21.42 C ATOM 2790 CG1 VAL B 77 -12.738 -6.960 -5.078 1.00 44.21 C ATOM 2791 CG2 VAL B 77 -11.697 -4.684 -4.780 1.00 53.21 C ATOM 0 H VAL B 77 -12.447 -4.048 -7.747 1.00 23.22 H new ATOM 0 HA VAL B 77 -10.521 -5.912 -6.775 1.00 52.45 H new ATOM 0 HB VAL B 77 -13.359 -5.167 -6.092 1.00 21.42 H new ATOM 0 HG11 VAL B 77 -13.329 -6.770 -4.182 1.00 44.21 H new ATOM 0 HG12 VAL B 77 -13.302 -7.600 -5.756 1.00 44.21 H new ATOM 0 HG13 VAL B 77 -11.808 -7.456 -4.801 1.00 44.21 H new ATOM 0 HG21 VAL B 77 -12.309 -4.564 -3.886 1.00 53.21 H new ATOM 0 HG22 VAL B 77 -10.735 -5.117 -4.506 1.00 53.21 H new ATOM 0 HG23 VAL B 77 -11.538 -3.711 -5.245 1.00 53.21 H new ATOM 2801 N VAL B 78 -10.975 -7.974 -8.063 1.00 34.12 N ATOM 2802 CA VAL B 78 -11.164 -9.324 -8.620 1.00 54.05 C ATOM 2803 C VAL B 78 -11.606 -10.304 -7.497 1.00 61.12 C ATOM 2804 O VAL B 78 -12.452 -11.178 -7.716 1.00 51.51 O ATOM 2805 CB VAL B 78 -9.831 -9.837 -9.300 1.00 50.45 C ATOM 2806 CG1 VAL B 78 -10.072 -11.105 -10.151 1.00 72.14 C ATOM 2807 CG2 VAL B 78 -9.172 -8.721 -10.147 1.00 3.25 C ATOM 0 H VAL B 78 -10.001 -7.758 -7.852 1.00 34.12 H new ATOM 0 HA VAL B 78 -11.943 -9.281 -9.381 1.00 54.05 H new ATOM 0 HB VAL B 78 -9.143 -10.107 -8.499 1.00 50.45 H new ATOM 0 HG11 VAL B 78 -9.132 -11.425 -10.601 1.00 72.14 H new ATOM 0 HG12 VAL B 78 -10.460 -11.901 -9.516 1.00 72.14 H new ATOM 0 HG13 VAL B 78 -10.794 -10.884 -10.937 1.00 72.14 H new ATOM 0 HG21 VAL B 78 -8.258 -9.102 -10.603 1.00 3.25 H new ATOM 0 HG22 VAL B 78 -9.862 -8.402 -10.929 1.00 3.25 H new ATOM 0 HG23 VAL B 78 -8.932 -7.872 -9.507 1.00 3.25 H new ATOM 2817 N LYS B 79 -10.996 -10.138 -6.295 1.00 74.41 N ATOM 2818 CA LYS B 79 -11.234 -10.985 -5.094 1.00 62.34 C ATOM 2819 C LYS B 79 -11.077 -10.138 -3.815 1.00 74.02 C ATOM 2820 O LYS B 79 -10.410 -9.104 -3.838 1.00 65.01 O ATOM 2821 CB LYS B 79 -10.217 -12.167 -4.987 1.00 2.35 C ATOM 2822 CG LYS B 79 -10.169 -13.141 -6.178 1.00 15.41 C ATOM 2823 CD LYS B 79 -9.001 -14.156 -6.055 1.00 23.44 C ATOM 2824 CE LYS B 79 -8.895 -15.086 -7.272 1.00 53.42 C ATOM 2825 NZ LYS B 79 -10.114 -15.914 -7.441 1.00 33.00 N ATOM 0 H LYS B 79 -10.313 -9.399 -6.129 1.00 74.41 H new ATOM 0 HA LYS B 79 -12.243 -11.385 -5.195 1.00 62.34 H new ATOM 0 HB2 LYS B 79 -9.220 -11.748 -4.848 1.00 2.35 H new ATOM 0 HB3 LYS B 79 -10.451 -12.738 -4.088 1.00 2.35 H new ATOM 0 HG2 LYS B 79 -11.113 -13.682 -6.242 1.00 15.41 H new ATOM 0 HG3 LYS B 79 -10.062 -12.576 -7.104 1.00 15.41 H new ATOM 0 HD2 LYS B 79 -8.064 -13.613 -5.935 1.00 23.44 H new ATOM 0 HD3 LYS B 79 -9.139 -14.756 -5.155 1.00 23.44 H new ATOM 0 HE2 LYS B 79 -8.732 -14.491 -8.171 1.00 53.42 H new ATOM 0 HE3 LYS B 79 -8.027 -15.736 -7.158 1.00 53.42 H new ATOM 0 HZ1 LYS B 79 -9.977 -16.576 -8.231 1.00 33.00 H new ATOM 0 HZ2 LYS B 79 -10.294 -16.450 -6.568 1.00 33.00 H new ATOM 0 HZ3 LYS B 79 -10.927 -15.298 -7.642 1.00 33.00 H new ATOM 2839 N VAL B 80 -11.727 -10.577 -2.722 1.00 4.45 N ATOM 2840 CA VAL B 80 -11.457 -10.105 -1.339 1.00 62.34 C ATOM 2841 C VAL B 80 -11.400 -11.347 -0.408 1.00 60.20 C ATOM 2842 O VAL B 80 -12.037 -12.370 -0.695 1.00 22.50 O ATOM 2843 CB VAL B 80 -12.538 -9.079 -0.796 1.00 64.13 C ATOM 2844 CG1 VAL B 80 -12.622 -7.806 -1.654 1.00 1.53 C ATOM 2845 CG2 VAL B 80 -13.901 -9.764 -0.649 1.00 32.11 C ATOM 0 H VAL B 80 -12.466 -11.279 -2.768 1.00 4.45 H new ATOM 0 HA VAL B 80 -10.510 -9.566 -1.352 1.00 62.34 H new ATOM 0 HB VAL B 80 -12.215 -8.752 0.193 1.00 64.13 H new ATOM 0 HG11 VAL B 80 -13.376 -7.137 -1.240 1.00 1.53 H new ATOM 0 HG12 VAL B 80 -11.654 -7.304 -1.657 1.00 1.53 H new ATOM 0 HG13 VAL B 80 -12.895 -8.073 -2.675 1.00 1.53 H new ATOM 0 HG21 VAL B 80 -14.631 -9.046 -0.275 1.00 32.11 H new ATOM 0 HG22 VAL B 80 -14.226 -10.140 -1.619 1.00 32.11 H new ATOM 0 HG23 VAL B 80 -13.817 -10.594 0.052 1.00 32.11 H new ATOM 2855 N GLN B 81 -10.617 -11.262 0.673 1.00 42.24 N ATOM 2856 CA GLN B 81 -10.444 -12.353 1.644 1.00 40.35 C ATOM 2857 C GLN B 81 -10.078 -11.752 3.013 1.00 14.15 C ATOM 2858 O GLN B 81 -9.429 -10.701 3.083 1.00 63.41 O ATOM 2859 CB GLN B 81 -9.359 -13.348 1.127 1.00 24.35 C ATOM 2860 CG GLN B 81 -9.046 -14.533 2.062 1.00 44.13 C ATOM 2861 CD GLN B 81 -8.066 -15.567 1.484 1.00 41.04 C ATOM 2862 OE1 GLN B 81 -8.149 -16.753 1.805 1.00 4.44 O ATOM 2863 NE2 GLN B 81 -7.123 -15.139 0.652 1.00 42.34 N ATOM 0 H GLN B 81 -10.079 -10.426 0.903 1.00 42.24 H new ATOM 0 HA GLN B 81 -11.371 -12.915 1.760 1.00 40.35 H new ATOM 0 HB2 GLN B 81 -9.683 -13.743 0.164 1.00 24.35 H new ATOM 0 HB3 GLN B 81 -8.437 -12.794 0.950 1.00 24.35 H new ATOM 0 HG2 GLN B 81 -8.635 -14.144 2.994 1.00 44.13 H new ATOM 0 HG3 GLN B 81 -9.979 -15.037 2.312 1.00 44.13 H new ATOM 0 HE21 GLN B 81 -7.074 -14.152 0.401 1.00 42.34 H new ATOM 0 HE22 GLN B 81 -6.448 -15.798 0.264 1.00 42.34 H new ATOM 2872 N ARG B 82 -10.506 -12.416 4.096 1.00 33.02 N ATOM 2873 CA ARG B 82 -10.318 -11.935 5.475 1.00 72.13 C ATOM 2874 C ARG B 82 -9.478 -12.959 6.261 1.00 71.41 C ATOM 2875 O ARG B 82 -10.015 -13.927 6.815 1.00 52.51 O ATOM 2876 CB ARG B 82 -11.701 -11.714 6.142 1.00 71.22 C ATOM 2877 CG ARG B 82 -12.596 -10.672 5.433 1.00 70.23 C ATOM 2878 CD ARG B 82 -13.996 -10.575 6.063 1.00 32.14 C ATOM 2879 NE ARG B 82 -13.909 -10.291 7.502 1.00 43.35 N ATOM 2880 CZ ARG B 82 -14.931 -10.304 8.366 1.00 43.53 C ATOM 2881 NH1 ARG B 82 -16.171 -10.590 7.973 1.00 63.13 N ATOM 2882 NH2 ARG B 82 -14.696 -10.035 9.638 1.00 70.15 N ATOM 0 H ARG B 82 -10.996 -13.309 4.041 1.00 33.02 H new ATOM 0 HA ARG B 82 -9.787 -10.983 5.471 1.00 72.13 H new ATOM 0 HB2 ARG B 82 -12.230 -12.666 6.175 1.00 71.22 H new ATOM 0 HB3 ARG B 82 -11.546 -11.399 7.174 1.00 71.22 H new ATOM 0 HG2 ARG B 82 -12.114 -9.695 5.474 1.00 70.23 H new ATOM 0 HG3 ARG B 82 -12.692 -10.936 4.380 1.00 70.23 H new ATOM 0 HD2 ARG B 82 -14.568 -9.790 5.568 1.00 32.14 H new ATOM 0 HD3 ARG B 82 -14.535 -11.509 5.905 1.00 32.14 H new ATOM 0 HE ARG B 82 -12.988 -10.064 7.876 1.00 43.35 H new ATOM 0 HH11 ARG B 82 -16.359 -10.806 6.994 1.00 63.13 H new ATOM 0 HH12 ARG B 82 -16.933 -10.593 8.651 1.00 63.13 H new ATOM 0 HH21 ARG B 82 -13.748 -9.822 9.947 1.00 70.15 H new ATOM 0 HH22 ARG B 82 -15.463 -10.040 10.311 1.00 70.15 H new ATOM 2896 N ASN B 83 -8.153 -12.770 6.246 1.00 65.24 N ATOM 2897 CA ASN B 83 -7.188 -13.642 6.951 1.00 32.11 C ATOM 2898 C ASN B 83 -6.839 -13.021 8.313 1.00 21.51 C ATOM 2899 O ASN B 83 -6.959 -11.807 8.492 1.00 33.03 O ATOM 2900 CB ASN B 83 -5.898 -13.835 6.108 1.00 73.35 C ATOM 2901 CG ASN B 83 -6.165 -14.353 4.694 1.00 74.23 C ATOM 2902 OD1 ASN B 83 -6.355 -13.571 3.765 1.00 22.32 O ATOM 2903 ND2 ASN B 83 -6.193 -15.668 4.518 1.00 64.22 N ATOM 0 H ASN B 83 -7.710 -12.002 5.741 1.00 65.24 H new ATOM 0 HA ASN B 83 -7.644 -14.620 7.101 1.00 32.11 H new ATOM 0 HB2 ASN B 83 -5.370 -12.884 6.044 1.00 73.35 H new ATOM 0 HB3 ASN B 83 -5.238 -14.533 6.623 1.00 73.35 H new ATOM 0 HD21 ASN B 83 -6.376 -16.055 3.592 1.00 64.22 H new ATOM 0 HD22 ASN B 83 -6.032 -16.292 5.309 1.00 64.22 H new ATOM 2910 N GLN B 84 -6.449 -13.863 9.281 1.00 24.01 N ATOM 2911 CA GLN B 84 -5.928 -13.404 10.591 1.00 62.30 C ATOM 2912 C GLN B 84 -4.404 -13.211 10.482 1.00 33.54 C ATOM 2913 O GLN B 84 -3.746 -13.875 9.670 1.00 1.22 O ATOM 2914 CB GLN B 84 -6.285 -14.405 11.735 1.00 63.31 C ATOM 2915 CG GLN B 84 -7.764 -14.377 12.205 1.00 32.40 C ATOM 2916 CD GLN B 84 -8.785 -14.753 11.122 1.00 63.15 C ATOM 2917 OE1 GLN B 84 -9.107 -15.928 10.937 1.00 13.00 O ATOM 2918 NE2 GLN B 84 -9.319 -13.763 10.415 1.00 51.44 N ATOM 0 H GLN B 84 -6.483 -14.878 9.186 1.00 24.01 H new ATOM 0 HA GLN B 84 -6.399 -12.455 10.846 1.00 62.30 H new ATOM 0 HB2 GLN B 84 -6.047 -15.414 11.399 1.00 63.31 H new ATOM 0 HB3 GLN B 84 -5.645 -14.195 12.592 1.00 63.31 H new ATOM 0 HG2 GLN B 84 -7.877 -15.061 13.046 1.00 32.40 H new ATOM 0 HG3 GLN B 84 -7.996 -13.378 12.573 1.00 32.40 H new ATOM 0 HE21 GLN B 84 -9.033 -12.800 10.590 1.00 51.44 H new ATOM 0 HE22 GLN B 84 -10.015 -13.966 9.697 1.00 51.44 H new ATOM 2927 N SER B 85 -3.852 -12.287 11.291 1.00 11.33 N ATOM 2928 CA SER B 85 -2.461 -11.825 11.148 1.00 52.25 C ATOM 2929 C SER B 85 -1.449 -12.792 11.769 1.00 13.13 C ATOM 2930 O SER B 85 -1.767 -13.535 12.705 1.00 1.54 O ATOM 2931 CB SER B 85 -2.313 -10.403 11.714 1.00 1.42 C ATOM 2932 OG SER B 85 -1.045 -9.840 11.409 1.00 50.42 O ATOM 0 H SER B 85 -4.356 -11.842 12.058 1.00 11.33 H new ATOM 0 HA SER B 85 -2.232 -11.800 10.083 1.00 52.25 H new ATOM 0 HB2 SER B 85 -3.100 -9.767 11.308 1.00 1.42 H new ATOM 0 HB3 SER B 85 -2.449 -10.427 12.795 1.00 1.42 H new ATOM 0 HG SER B 85 -1.168 -8.947 11.024 1.00 50.42 H new ATOM 2938 N ASP B 86 -0.215 -12.742 11.230 1.00 62.14 N ATOM 2939 CA ASP B 86 0.842 -13.725 11.500 1.00 53.01 C ATOM 2940 C ASP B 86 2.218 -13.008 11.415 1.00 53.12 C ATOM 2941 O ASP B 86 2.413 -12.182 10.514 1.00 75.22 O ATOM 2942 CB ASP B 86 0.729 -14.869 10.445 1.00 43.22 C ATOM 2943 CG ASP B 86 1.611 -16.100 10.732 1.00 32.44 C ATOM 2944 OD1 ASP B 86 2.843 -15.997 10.639 1.00 54.30 O ATOM 2945 OD2 ASP B 86 1.070 -17.189 11.040 1.00 12.25 O ATOM 0 H ASP B 86 0.075 -12.006 10.586 1.00 62.14 H new ATOM 0 HA ASP B 86 0.740 -14.158 12.495 1.00 53.01 H new ATOM 0 HB2 ASP B 86 -0.311 -15.190 10.387 1.00 43.22 H new ATOM 0 HB3 ASP B 86 0.994 -14.469 9.466 1.00 43.22 H new ATOM 2950 N PRO B 87 3.180 -13.278 12.358 1.00 54.21 N ATOM 2951 CA PRO B 87 4.541 -12.657 12.336 1.00 0.34 C ATOM 2952 C PRO B 87 5.350 -12.954 11.049 1.00 41.21 C ATOM 2953 O PRO B 87 6.050 -12.077 10.526 1.00 40.13 O ATOM 2954 CB PRO B 87 5.236 -13.273 13.580 1.00 64.12 C ATOM 2955 CG PRO B 87 4.107 -13.675 14.481 1.00 13.15 C ATOM 2956 CD PRO B 87 3.013 -14.156 13.552 1.00 31.33 C ATOM 0 HA PRO B 87 4.476 -11.569 12.352 1.00 0.34 H new ATOM 0 HB2 PRO B 87 5.851 -14.131 13.307 1.00 64.12 H new ATOM 0 HB3 PRO B 87 5.893 -12.551 14.065 1.00 64.12 H new ATOM 0 HG2 PRO B 87 4.414 -14.462 15.170 1.00 13.15 H new ATOM 0 HG3 PRO B 87 3.768 -12.835 15.087 1.00 13.15 H new ATOM 0 HD2 PRO B 87 3.132 -15.209 13.299 1.00 31.33 H new ATOM 0 HD3 PRO B 87 2.025 -14.046 14.000 1.00 31.33 H new ATOM 2964 N THR B 88 5.238 -14.196 10.545 1.00 2.11 N ATOM 2965 CA THR B 88 6.014 -14.659 9.373 1.00 5.21 C ATOM 2966 C THR B 88 5.298 -14.325 8.044 1.00 51.15 C ATOM 2967 O THR B 88 5.853 -14.596 6.971 1.00 0.14 O ATOM 2968 CB THR B 88 6.296 -16.210 9.436 1.00 1.22 C ATOM 2969 OG1 THR B 88 5.091 -16.961 9.210 1.00 24.03 O ATOM 2970 CG2 THR B 88 6.897 -16.636 10.789 1.00 65.21 C ATOM 0 H THR B 88 4.614 -14.904 10.932 1.00 2.11 H new ATOM 0 HA THR B 88 6.964 -14.125 9.406 1.00 5.21 H new ATOM 0 HB THR B 88 7.020 -16.423 8.649 1.00 1.22 H new ATOM 0 HG1 THR B 88 4.357 -16.563 9.723 1.00 24.03 H new ATOM 0 HG21 THR B 88 7.074 -17.711 10.786 1.00 65.21 H new ATOM 0 HG22 THR B 88 7.840 -16.113 10.949 1.00 65.21 H new ATOM 0 HG23 THR B 88 6.203 -16.385 11.591 1.00 65.21 H new ATOM 2978 N MET B 89 4.094 -13.696 8.136 1.00 24.44 N ATOM 2979 CA MET B 89 3.167 -13.516 6.999 1.00 71.50 C ATOM 2980 C MET B 89 3.842 -12.786 5.819 1.00 21.33 C ATOM 2981 O MET B 89 3.859 -13.326 4.721 1.00 22.11 O ATOM 2982 CB MET B 89 1.877 -12.768 7.456 1.00 51.23 C ATOM 2983 CG MET B 89 0.668 -12.920 6.514 1.00 43.01 C ATOM 2984 SD MET B 89 0.894 -12.129 4.904 1.00 72.10 S ATOM 2985 CE MET B 89 -0.369 -12.942 3.920 1.00 20.05 C ATOM 0 H MET B 89 3.744 -13.300 9.008 1.00 24.44 H new ATOM 0 HA MET B 89 2.884 -14.507 6.644 1.00 71.50 H new ATOM 0 HB2 MET B 89 1.596 -13.131 8.445 1.00 51.23 H new ATOM 0 HB3 MET B 89 2.107 -11.708 7.559 1.00 51.23 H new ATOM 0 HG2 MET B 89 0.468 -13.981 6.362 1.00 43.01 H new ATOM 0 HG3 MET B 89 -0.212 -12.496 6.997 1.00 43.01 H new ATOM 0 HE1 MET B 89 -0.681 -12.281 3.111 1.00 20.05 H new ATOM 0 HE2 MET B 89 0.034 -13.864 3.500 1.00 20.05 H new ATOM 0 HE3 MET B 89 -1.227 -13.175 4.550 1.00 20.05 H new ATOM 2995 N PHE B 90 4.442 -11.596 6.086 1.00 22.24 N ATOM 2996 CA PHE B 90 5.100 -10.753 5.046 1.00 22.51 C ATOM 2997 C PHE B 90 6.156 -11.536 4.237 1.00 13.30 C ATOM 2998 O PHE B 90 6.178 -11.455 3.009 1.00 10.35 O ATOM 2999 CB PHE B 90 5.763 -9.496 5.678 1.00 31.31 C ATOM 3000 CG PHE B 90 4.784 -8.409 6.126 1.00 34.31 C ATOM 3001 CD1 PHE B 90 4.344 -7.431 5.224 1.00 25.14 C ATOM 3002 CD2 PHE B 90 4.308 -8.354 7.439 1.00 30.23 C ATOM 3003 CE1 PHE B 90 3.473 -6.435 5.621 1.00 61.55 C ATOM 3004 CE2 PHE B 90 3.434 -7.357 7.831 1.00 31.14 C ATOM 3005 CZ PHE B 90 3.017 -6.400 6.920 1.00 74.20 C ATOM 0 H PHE B 90 4.484 -11.194 7.022 1.00 22.24 H new ATOM 0 HA PHE B 90 4.310 -10.441 4.362 1.00 22.51 H new ATOM 0 HB2 PHE B 90 6.355 -9.809 6.538 1.00 31.31 H new ATOM 0 HB3 PHE B 90 6.455 -9.066 4.954 1.00 31.31 H new ATOM 0 HD1 PHE B 90 4.692 -7.456 4.202 1.00 25.14 H new ATOM 0 HD2 PHE B 90 4.626 -9.098 8.155 1.00 30.23 H new ATOM 0 HE1 PHE B 90 3.150 -5.685 4.914 1.00 61.55 H new ATOM 0 HE2 PHE B 90 3.076 -7.324 8.849 1.00 31.14 H new ATOM 0 HZ PHE B 90 2.332 -5.624 7.230 1.00 74.20 H new ATOM 3015 N ASN B 91 7.002 -12.297 4.948 1.00 74.01 N ATOM 3016 CA ASN B 91 8.081 -13.107 4.340 1.00 31.55 C ATOM 3017 C ASN B 91 7.492 -14.284 3.532 1.00 61.11 C ATOM 3018 O ASN B 91 7.990 -14.621 2.452 1.00 24.25 O ATOM 3019 CB ASN B 91 9.025 -13.631 5.458 1.00 40.21 C ATOM 3020 CG ASN B 91 10.211 -14.460 4.938 1.00 2.43 C ATOM 3021 OD1 ASN B 91 11.278 -13.922 4.652 1.00 14.02 O ATOM 3022 ND2 ASN B 91 10.037 -15.772 4.819 1.00 75.23 N ATOM 0 H ASN B 91 6.961 -12.372 5.964 1.00 74.01 H new ATOM 0 HA ASN B 91 8.651 -12.482 3.653 1.00 31.55 H new ATOM 0 HB2 ASN B 91 9.409 -12.781 6.023 1.00 40.21 H new ATOM 0 HB3 ASN B 91 8.446 -14.240 6.152 1.00 40.21 H new ATOM 0 HD21 ASN B 91 10.800 -16.359 4.483 1.00 75.23 H new ATOM 0 HD22 ASN B 91 9.140 -16.192 5.064 1.00 75.23 H new ATOM 3029 N LYS B 92 6.402 -14.860 4.080 1.00 12.43 N ATOM 3030 CA LYS B 92 5.731 -16.069 3.559 1.00 60.00 C ATOM 3031 C LYS B 92 5.345 -15.917 2.074 1.00 61.23 C ATOM 3032 O LYS B 92 5.759 -16.721 1.238 1.00 11.13 O ATOM 3033 CB LYS B 92 4.475 -16.364 4.429 1.00 43.33 C ATOM 3034 CG LYS B 92 3.751 -17.693 4.138 1.00 1.22 C ATOM 3035 CD LYS B 92 2.457 -17.840 4.980 1.00 74.03 C ATOM 3036 CE LYS B 92 1.838 -19.245 4.899 1.00 51.00 C ATOM 3037 NZ LYS B 92 2.709 -20.277 5.524 1.00 23.05 N ATOM 0 H LYS B 92 5.953 -14.488 4.917 1.00 12.43 H new ATOM 0 HA LYS B 92 6.426 -16.907 3.618 1.00 60.00 H new ATOM 0 HB2 LYS B 92 4.773 -16.357 5.477 1.00 43.33 H new ATOM 0 HB3 LYS B 92 3.764 -15.549 4.295 1.00 43.33 H new ATOM 0 HG2 LYS B 92 3.503 -17.747 3.078 1.00 1.22 H new ATOM 0 HG3 LYS B 92 4.421 -18.526 4.352 1.00 1.22 H new ATOM 0 HD2 LYS B 92 2.681 -17.608 6.021 1.00 74.03 H new ATOM 0 HD3 LYS B 92 1.725 -17.107 4.640 1.00 74.03 H new ATOM 0 HE2 LYS B 92 0.867 -19.242 5.395 1.00 51.00 H new ATOM 0 HE3 LYS B 92 1.662 -19.504 3.855 1.00 51.00 H new ATOM 0 HZ1 LYS B 92 2.186 -21.173 5.600 1.00 23.05 H new ATOM 0 HZ2 LYS B 92 3.555 -20.419 4.937 1.00 23.05 H new ATOM 0 HZ3 LYS B 92 2.995 -19.962 6.473 1.00 23.05 H new ATOM 3051 N ILE B 93 4.561 -14.872 1.758 1.00 65.25 N ATOM 3052 CA ILE B 93 4.081 -14.633 0.381 1.00 50.21 C ATOM 3053 C ILE B 93 5.134 -13.913 -0.486 1.00 72.11 C ATOM 3054 O ILE B 93 5.101 -14.039 -1.711 1.00 1.42 O ATOM 3055 CB ILE B 93 2.707 -13.871 0.312 1.00 35.55 C ATOM 3056 CG1 ILE B 93 2.821 -12.365 0.727 1.00 62.45 C ATOM 3057 CG2 ILE B 93 1.626 -14.603 1.153 1.00 25.04 C ATOM 3058 CD1 ILE B 93 2.984 -12.078 2.192 1.00 13.14 C ATOM 0 H ILE B 93 4.245 -14.178 2.436 1.00 65.25 H new ATOM 0 HA ILE B 93 3.912 -15.628 -0.030 1.00 50.21 H new ATOM 0 HB ILE B 93 2.399 -13.878 -0.734 1.00 35.55 H new ATOM 0 HG12 ILE B 93 3.670 -11.930 0.199 1.00 62.45 H new ATOM 0 HG13 ILE B 93 1.928 -11.847 0.376 1.00 62.45 H new ATOM 0 HG21 ILE B 93 0.685 -14.057 1.090 1.00 25.04 H new ATOM 0 HG22 ILE B 93 1.487 -15.613 0.767 1.00 25.04 H new ATOM 0 HG23 ILE B 93 1.947 -14.654 2.193 1.00 25.04 H new ATOM 0 HD11 ILE B 93 3.051 -11.001 2.347 1.00 13.14 H new ATOM 0 HD12 ILE B 93 2.126 -12.470 2.737 1.00 13.14 H new ATOM 0 HD13 ILE B 93 3.894 -12.554 2.557 1.00 13.14 H new ATOM 3070 N ALA B 94 6.031 -13.129 0.154 1.00 33.03 N ATOM 3071 CA ALA B 94 7.087 -12.363 -0.553 1.00 20.22 C ATOM 3072 C ALA B 94 7.981 -13.284 -1.406 1.00 32.45 C ATOM 3073 O ALA B 94 8.344 -12.936 -2.537 1.00 12.01 O ATOM 3074 CB ALA B 94 7.938 -11.573 0.448 1.00 64.31 C ATOM 0 H ALA B 94 6.045 -13.009 1.167 1.00 33.03 H new ATOM 0 HA ALA B 94 6.592 -11.663 -1.226 1.00 20.22 H new ATOM 0 HB1 ALA B 94 8.708 -11.017 -0.088 1.00 64.31 H new ATOM 0 HB2 ALA B 94 7.303 -10.877 0.996 1.00 64.31 H new ATOM 0 HB3 ALA B 94 8.410 -12.262 1.148 1.00 64.31 H new ATOM 3080 N VAL B 95 8.300 -14.473 -0.854 1.00 61.44 N ATOM 3081 CA VAL B 95 9.109 -15.487 -1.558 1.00 23.23 C ATOM 3082 C VAL B 95 8.285 -16.208 -2.656 1.00 71.43 C ATOM 3083 O VAL B 95 8.854 -16.755 -3.604 1.00 54.12 O ATOM 3084 CB VAL B 95 9.725 -16.538 -0.554 1.00 53.31 C ATOM 3085 CG1 VAL B 95 10.537 -15.830 0.560 1.00 33.02 C ATOM 3086 CG2 VAL B 95 8.645 -17.462 0.054 1.00 11.23 C ATOM 0 H VAL B 95 8.007 -14.754 0.082 1.00 61.44 H new ATOM 0 HA VAL B 95 9.931 -14.958 -2.041 1.00 23.23 H new ATOM 0 HB VAL B 95 10.404 -17.169 -1.127 1.00 53.31 H new ATOM 0 HG11 VAL B 95 10.951 -16.576 1.239 1.00 33.02 H new ATOM 0 HG12 VAL B 95 11.349 -15.258 0.111 1.00 33.02 H new ATOM 0 HG13 VAL B 95 9.883 -15.157 1.115 1.00 33.02 H new ATOM 0 HG21 VAL B 95 9.114 -18.169 0.738 1.00 11.23 H new ATOM 0 HG22 VAL B 95 7.916 -16.861 0.597 1.00 11.23 H new ATOM 0 HG23 VAL B 95 8.143 -18.009 -0.744 1.00 11.23 H new ATOM 3096 N PHE B 96 6.941 -16.203 -2.507 1.00 31.51 N ATOM 3097 CA PHE B 96 6.014 -16.812 -3.488 1.00 74.15 C ATOM 3098 C PHE B 96 5.837 -15.902 -4.717 1.00 52.53 C ATOM 3099 O PHE B 96 5.524 -16.400 -5.805 1.00 1.32 O ATOM 3100 CB PHE B 96 4.624 -17.110 -2.845 1.00 1.20 C ATOM 3101 CG PHE B 96 4.621 -18.140 -1.709 1.00 63.42 C ATOM 3102 CD1 PHE B 96 5.626 -19.105 -1.600 1.00 24.11 C ATOM 3103 CD2 PHE B 96 3.600 -18.150 -0.752 1.00 21.21 C ATOM 3104 CE1 PHE B 96 5.611 -20.039 -0.585 1.00 52.41 C ATOM 3105 CE2 PHE B 96 3.588 -19.087 0.265 1.00 64.42 C ATOM 3106 CZ PHE B 96 4.596 -20.027 0.351 1.00 21.30 C ATOM 0 H PHE B 96 6.470 -15.779 -1.708 1.00 31.51 H new ATOM 0 HA PHE B 96 6.456 -17.755 -3.809 1.00 74.15 H new ATOM 0 HB2 PHE B 96 4.213 -16.175 -2.463 1.00 1.20 H new ATOM 0 HB3 PHE B 96 3.950 -17.458 -3.628 1.00 1.20 H new ATOM 0 HD1 PHE B 96 6.428 -19.120 -2.323 1.00 24.11 H new ATOM 0 HD2 PHE B 96 2.810 -17.416 -0.808 1.00 21.21 H new ATOM 0 HE1 PHE B 96 6.394 -20.780 -0.522 1.00 52.41 H new ATOM 0 HE2 PHE B 96 2.790 -19.084 0.992 1.00 64.42 H new ATOM 0 HZ PHE B 96 4.590 -20.753 1.151 1.00 21.30 H new ATOM 3116 N PHE B 97 6.014 -14.568 -4.509 1.00 54.31 N ATOM 3117 CA PHE B 97 5.954 -13.493 -5.554 1.00 30.11 C ATOM 3118 C PHE B 97 4.683 -13.542 -6.457 1.00 10.22 C ATOM 3119 O PHE B 97 4.620 -12.862 -7.493 1.00 72.24 O ATOM 3120 CB PHE B 97 7.282 -13.405 -6.391 1.00 33.43 C ATOM 3121 CG PHE B 97 7.650 -14.633 -7.240 1.00 24.02 C ATOM 3122 CD1 PHE B 97 7.079 -14.838 -8.500 1.00 5.55 C ATOM 3123 CD2 PHE B 97 8.555 -15.590 -6.768 1.00 43.33 C ATOM 3124 CE1 PHE B 97 7.397 -15.951 -9.253 1.00 34.11 C ATOM 3125 CE2 PHE B 97 8.872 -16.701 -7.526 1.00 11.23 C ATOM 3126 CZ PHE B 97 8.290 -16.882 -8.765 1.00 61.21 C ATOM 0 H PHE B 97 6.209 -14.193 -3.581 1.00 54.31 H new ATOM 0 HA PHE B 97 5.860 -12.562 -4.996 1.00 30.11 H new ATOM 0 HB2 PHE B 97 7.209 -12.543 -7.054 1.00 33.43 H new ATOM 0 HB3 PHE B 97 8.105 -13.209 -5.703 1.00 33.43 H new ATOM 0 HD1 PHE B 97 6.378 -14.115 -8.890 1.00 5.55 H new ATOM 0 HD2 PHE B 97 9.012 -15.459 -5.798 1.00 43.33 H new ATOM 0 HE1 PHE B 97 6.946 -16.093 -10.224 1.00 34.11 H new ATOM 0 HE2 PHE B 97 9.576 -17.428 -7.149 1.00 11.23 H new ATOM 0 HZ PHE B 97 8.534 -17.754 -9.353 1.00 61.21 H new ATOM 3136 N GLN B 98 3.665 -14.312 -6.023 1.00 53.43 N ATOM 3137 CA GLN B 98 2.413 -14.533 -6.763 1.00 21.14 C ATOM 3138 C GLN B 98 1.237 -14.480 -5.749 1.00 43.11 C ATOM 3139 O GLN B 98 0.743 -15.541 -5.308 1.00 75.43 O ATOM 3140 CB GLN B 98 2.476 -15.898 -7.530 1.00 64.24 C ATOM 3141 CG GLN B 98 3.566 -15.980 -8.615 1.00 30.30 C ATOM 3142 CD GLN B 98 3.809 -17.397 -9.135 1.00 61.41 C ATOM 3143 OE1 GLN B 98 3.191 -17.845 -10.095 1.00 55.54 O ATOM 3144 NE2 GLN B 98 4.714 -18.112 -8.497 1.00 22.35 N ATOM 3145 OXT GLN B 98 0.845 -13.361 -5.360 1.00 37.97 O ATOM 0 H GLN B 98 3.694 -14.806 -5.131 1.00 53.43 H new ATOM 0 HA GLN B 98 2.261 -13.758 -7.515 1.00 21.14 H new ATOM 0 HB2 GLN B 98 2.642 -16.697 -6.808 1.00 64.24 H new ATOM 0 HB3 GLN B 98 1.507 -16.083 -7.994 1.00 64.24 H new ATOM 0 HG2 GLN B 98 3.284 -15.339 -9.450 1.00 30.30 H new ATOM 0 HG3 GLN B 98 4.499 -15.585 -8.211 1.00 30.30 H new ATOM 0 HE21 GLN B 98 5.212 -17.712 -7.702 1.00 22.35 H new ATOM 0 HE22 GLN B 98 4.916 -19.065 -8.799 1.00 22.35 H new TER 3154 GLN B 98