USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 895 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 46 TYR OH : rot 150:sc= -0.0695 USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLU N :NH3+ 155:sc= 1.16 (180deg=-0.947!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.453 K(o=-0.45,f=-3.7!) USER MOD Single : A 9 THR OG1 : rot -158:sc= -1.96 USER MOD Single : A 10 TYR OH : rot 75:sc= -0.862 USER MOD Single : A 11 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-5!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.3!) USER MOD Single : A 18 ASN : amide:sc= -0.437 K(o=-0.44,f=-1.6!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.203 F(o=-2.3,f=-0.2) USER MOD Single : A 28 SER OG : rot -78:sc= 0.152 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -119:sc= 1.21 USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.0585 (180deg=-0.575) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.433 USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= -0.0198 (180deg=-0.869) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 71 ASN : amide:sc= 1.2 K(o=1.2,f=-0.2) USER MOD Single : A 74 THR OG1 : rot -54:sc= 0.77 USER MOD Single : A 77 GLN : amide:sc= -1.61 K(o=-1.6,f=-8.6!) USER MOD Single : A 85 GLN :FLIP amide:sc= 0.0638 F(o=-0.91,f=0.064) USER MOD Single : A 88 ASN :FLIP amide:sc= 0.0645 F(o=-1.2,f=0.064) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0978 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 105 ASN : amide:sc= -2.09 K(o=-2.1,f=-10!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.501 F(o=-2.1,f=-0.5) USER MOD Single : A 111 GLN : amide:sc= -0.205 X(o=-0.2,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -1.99 K(o=-2,f=-8.5!) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 ASN : amide:sc= -0.924 K(o=-0.92,f=-2.9!) USER MOD Single : A 118 TYR OH : rot -57:sc= 0.0572 USER MOD Single : A 119 GLN : amide:sc= -2.54 X(o=-2.5,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.733 13.705 0.287 1.00 0.00 N ATOM 2 CA GLU A 1 1.871 13.634 -1.202 1.00 0.00 C ATOM 3 C GLU A 1 3.276 13.238 -1.730 1.00 0.00 C ATOM 4 O GLU A 1 3.337 12.544 -2.725 1.00 0.00 O ATOM 5 CB GLU A 1 1.435 15.029 -1.820 1.00 0.00 C ATOM 6 CG GLU A 1 1.818 16.265 -0.913 1.00 0.00 C ATOM 7 CD GLU A 1 3.225 16.166 -0.332 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.139 16.589 -1.006 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.283 15.636 0.768 1.00 0.00 O ATOM 0 H1 GLU A 1 0.957 14.352 0.533 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.526 12.757 0.662 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.620 14.055 0.702 1.00 0.00 H new ATOM 0 HA GLU A 1 1.219 12.821 -1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.902 15.147 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.357 15.026 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.738 17.179 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.099 16.347 -0.098 1.00 0.00 H new ATOM 18 N GLN A 2 4.332 13.670 -1.086 1.00 0.00 N ATOM 19 CA GLN A 2 5.736 13.351 -1.517 1.00 0.00 C ATOM 20 C GLN A 2 6.597 12.675 -0.416 1.00 0.00 C ATOM 21 O GLN A 2 6.788 13.239 0.644 1.00 0.00 O ATOM 22 CB GLN A 2 6.342 14.699 -1.963 1.00 0.00 C ATOM 23 CG GLN A 2 7.760 14.569 -2.576 1.00 0.00 C ATOM 24 CD GLN A 2 8.346 15.969 -2.820 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.787 16.798 -3.498 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.480 16.308 -2.297 1.00 0.00 N ATOM 0 H GLN A 2 4.279 14.251 -0.249 1.00 0.00 H new ATOM 0 HA GLN A 2 5.721 12.613 -2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.680 15.161 -2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.386 15.370 -1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.407 14.005 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.713 14.015 -3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.992 15.644 -1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.861 17.239 -2.466 1.00 0.00 H new ATOM 35 N ALA A 3 7.088 11.488 -0.687 1.00 0.00 N ATOM 36 CA ALA A 3 7.936 10.763 0.307 1.00 0.00 C ATOM 37 C ALA A 3 9.171 10.129 -0.417 1.00 0.00 C ATOM 38 O ALA A 3 9.027 9.309 -1.311 1.00 0.00 O ATOM 39 CB ALA A 3 7.002 9.729 0.963 1.00 0.00 C ATOM 0 H ALA A 3 6.935 10.988 -1.563 1.00 0.00 H new ATOM 0 HA ALA A 3 8.358 11.411 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.557 9.157 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.172 10.244 1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.615 9.053 0.201 1.00 0.00 H new ATOM 45 N ASN A 4 10.354 10.519 -0.020 1.00 0.00 N ATOM 46 CA ASN A 4 11.606 9.970 -0.657 1.00 0.00 C ATOM 47 C ASN A 4 12.432 9.173 0.409 1.00 0.00 C ATOM 48 O ASN A 4 12.158 9.321 1.584 1.00 0.00 O ATOM 49 CB ASN A 4 12.348 11.222 -1.242 1.00 0.00 C ATOM 50 CG ASN A 4 11.434 12.045 -2.191 1.00 0.00 C ATOM 51 OD1 ASN A 4 10.378 12.540 -1.853 1.00 0.00 O ATOM 52 ND2 ASN A 4 11.780 12.242 -3.421 1.00 0.00 N ATOM 0 H ASN A 4 10.516 11.199 0.723 1.00 0.00 H new ATOM 0 HA ASN A 4 11.419 9.254 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 4 12.688 11.857 -0.424 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.236 10.897 -1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.177 12.785 -4.040 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.656 11.855 -3.773 1.00 0.00 H new ATOM 59 N ASP A 5 13.382 8.374 -0.018 1.00 0.00 N ATOM 60 CA ASP A 5 14.220 7.569 0.940 1.00 0.00 C ATOM 61 C ASP A 5 13.302 6.762 1.903 1.00 0.00 C ATOM 62 O ASP A 5 13.557 6.666 3.091 1.00 0.00 O ATOM 63 CB ASP A 5 15.153 8.587 1.733 1.00 0.00 C ATOM 64 CG ASP A 5 15.864 9.544 0.783 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.604 8.995 -0.015 1.00 0.00 O ATOM 66 OD2 ASP A 5 15.632 10.736 0.911 1.00 0.00 O ATOM 0 H ASP A 5 13.618 8.241 -1.001 1.00 0.00 H new ATOM 0 HA ASP A 5 14.839 6.846 0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.553 9.156 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.891 8.032 2.312 1.00 0.00 H new ATOM 71 N VAL A 6 12.262 6.172 1.364 1.00 0.00 N ATOM 72 CA VAL A 6 11.332 5.392 2.255 1.00 0.00 C ATOM 73 C VAL A 6 11.462 3.860 2.119 1.00 0.00 C ATOM 74 O VAL A 6 11.807 3.301 1.090 1.00 0.00 O ATOM 75 CB VAL A 6 9.843 5.772 1.938 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.868 5.380 3.101 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.594 7.256 1.679 1.00 0.00 C ATOM 0 H VAL A 6 12.017 6.192 0.374 1.00 0.00 H new ATOM 0 HA VAL A 6 11.617 5.660 3.272 1.00 0.00 H new ATOM 0 HB VAL A 6 9.650 5.207 1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.850 5.664 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.913 4.304 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.162 5.900 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.536 7.416 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.881 7.832 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.186 7.580 0.823 1.00 0.00 H new ATOM 87 N ARG A 7 11.150 3.220 3.211 1.00 0.00 N ATOM 88 CA ARG A 7 11.207 1.732 3.265 1.00 0.00 C ATOM 89 C ARG A 7 9.811 1.281 2.824 1.00 0.00 C ATOM 90 O ARG A 7 8.905 1.122 3.626 1.00 0.00 O ATOM 91 CB ARG A 7 11.510 1.308 4.705 1.00 0.00 C ATOM 92 CG ARG A 7 11.553 -0.244 4.758 1.00 0.00 C ATOM 93 CD ARG A 7 11.771 -0.676 6.197 1.00 0.00 C ATOM 94 NE ARG A 7 13.164 -0.244 6.543 1.00 0.00 N ATOM 95 CZ ARG A 7 13.904 -0.940 7.311 1.00 0.00 C ATOM 96 NH1 ARG A 7 14.525 -1.946 6.855 1.00 0.00 N ATOM 97 NH2 ARG A 7 13.974 -0.569 8.521 1.00 0.00 N ATOM 0 H ARG A 7 10.855 3.669 4.078 1.00 0.00 H new ATOM 0 HA ARG A 7 11.979 1.293 2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.463 1.726 5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.746 1.690 5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.622 -0.661 4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.355 -0.622 4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.041 -0.212 6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.658 -1.755 6.303 1.00 0.00 H new ATOM 0 HE ARG A 7 13.527 0.627 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.433 -2.199 5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.117 -2.502 7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.453 0.250 8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.552 -1.089 9.181 1.00 0.00 H new ATOM 111 N ALA A 8 9.676 1.084 1.540 1.00 0.00 N ATOM 112 CA ALA A 8 8.347 0.659 1.042 1.00 0.00 C ATOM 113 C ALA A 8 8.264 -0.850 1.282 1.00 0.00 C ATOM 114 O ALA A 8 9.043 -1.656 0.807 1.00 0.00 O ATOM 115 CB ALA A 8 8.237 1.027 -0.464 1.00 0.00 C ATOM 0 H ALA A 8 10.407 1.196 0.837 1.00 0.00 H new ATOM 0 HA ALA A 8 7.520 1.154 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.263 0.719 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.350 2.104 -0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.022 0.516 -1.022 1.00 0.00 H new ATOM 121 N THR A 9 7.270 -1.147 2.062 1.00 0.00 N ATOM 122 CA THR A 9 6.965 -2.548 2.463 1.00 0.00 C ATOM 123 C THR A 9 5.705 -2.945 1.695 1.00 0.00 C ATOM 124 O THR A 9 5.162 -2.171 0.936 1.00 0.00 O ATOM 125 CB THR A 9 6.667 -2.620 3.962 1.00 0.00 C ATOM 126 OG1 THR A 9 5.522 -1.792 4.081 1.00 0.00 O ATOM 127 CG2 THR A 9 7.674 -1.892 4.850 1.00 0.00 C ATOM 0 H THR A 9 6.632 -0.454 2.453 1.00 0.00 H new ATOM 0 HA THR A 9 7.808 -3.204 2.248 1.00 0.00 H new ATOM 0 HB THR A 9 6.623 -3.668 4.259 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.440 -1.478 5.006 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.381 -1.998 5.895 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.665 -2.323 4.706 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.696 -0.835 4.584 1.00 0.00 H new ATOM 135 N TYR A 10 5.250 -4.145 1.913 1.00 0.00 N ATOM 136 CA TYR A 10 4.016 -4.642 1.216 1.00 0.00 C ATOM 137 C TYR A 10 2.955 -5.380 2.086 1.00 0.00 C ATOM 138 O TYR A 10 3.107 -6.561 2.340 1.00 0.00 O ATOM 139 CB TYR A 10 4.549 -5.535 0.033 1.00 0.00 C ATOM 140 CG TYR A 10 5.962 -6.101 0.291 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.216 -6.884 1.399 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.004 -5.823 -0.580 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.485 -7.375 1.632 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.270 -6.317 -0.344 1.00 0.00 C ATOM 145 CZ TYR A 10 8.521 -7.093 0.761 1.00 0.00 C ATOM 146 OH TYR A 10 9.790 -7.574 0.994 1.00 0.00 O ATOM 0 H TYR A 10 5.680 -4.816 2.550 1.00 0.00 H new ATOM 0 HA TYR A 10 3.435 -3.781 0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.857 -6.361 -0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.562 -4.944 -0.883 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.417 -7.114 2.088 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.823 -5.213 -1.453 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.670 -7.986 2.503 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.070 -6.092 -1.034 1.00 0.00 H new ATOM 0 HH TYR A 10 9.822 -8.530 0.779 1.00 0.00 H new ATOM 156 N HIS A 11 1.902 -4.732 2.561 1.00 0.00 N ATOM 157 CA HIS A 11 0.912 -5.517 3.387 1.00 0.00 C ATOM 158 C HIS A 11 0.195 -6.146 2.228 1.00 0.00 C ATOM 159 O HIS A 11 -0.592 -5.477 1.612 1.00 0.00 O ATOM 160 CB HIS A 11 -0.073 -4.620 4.169 1.00 0.00 C ATOM 161 CG HIS A 11 -1.097 -5.602 4.690 1.00 0.00 C ATOM 162 ND1 HIS A 11 -0.834 -6.536 5.536 1.00 0.00 N ATOM 163 CD2 HIS A 11 -2.435 -5.740 4.406 1.00 0.00 C ATOM 164 CE1 HIS A 11 -1.913 -7.213 5.774 1.00 0.00 C ATOM 165 NE2 HIS A 11 -2.930 -6.750 5.091 1.00 0.00 N ATOM 0 H HIS A 11 1.692 -3.744 2.422 1.00 0.00 H new ATOM 0 HA HIS A 11 1.345 -6.160 4.154 1.00 0.00 H new ATOM 0 HB2 HIS A 11 0.424 -4.088 4.980 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -0.528 -3.867 3.526 1.00 0.00 H new ATOM 0 HD1 HIS A 11 0.079 -6.715 5.953 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.995 -5.116 3.725 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.967 -8.053 6.450 1.00 0.00 H new ATOM 173 N TYR A 12 0.486 -7.390 2.023 1.00 0.00 N ATOM 174 CA TYR A 12 -0.105 -8.157 0.894 1.00 0.00 C ATOM 175 C TYR A 12 -1.511 -8.766 0.918 1.00 0.00 C ATOM 176 O TYR A 12 -1.770 -9.816 1.470 1.00 0.00 O ATOM 177 CB TYR A 12 0.927 -9.312 0.554 1.00 0.00 C ATOM 178 CG TYR A 12 1.490 -9.831 1.889 1.00 0.00 C ATOM 179 CD1 TYR A 12 0.784 -10.710 2.680 1.00 0.00 C ATOM 180 CD2 TYR A 12 2.712 -9.365 2.328 1.00 0.00 C ATOM 181 CE1 TYR A 12 1.287 -11.115 3.900 1.00 0.00 C ATOM 182 CE2 TYR A 12 3.212 -9.771 3.548 1.00 0.00 C ATOM 183 CZ TYR A 12 2.495 -10.645 4.333 1.00 0.00 C ATOM 184 OH TYR A 12 2.964 -11.050 5.559 1.00 0.00 O ATOM 0 H TYR A 12 1.128 -7.927 2.606 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.275 -7.364 0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.437 -10.116 0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.729 -8.936 -0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.171 -11.085 2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.279 -8.680 1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.725 -11.804 4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.168 -9.402 3.888 1.00 0.00 H new ATOM 0 HH TYR A 12 3.835 -10.634 5.730 1.00 0.00 H new ATOM 194 N TYR A 13 -2.397 -8.048 0.287 1.00 0.00 N ATOM 195 CA TYR A 13 -3.841 -8.488 0.173 1.00 0.00 C ATOM 196 C TYR A 13 -3.817 -9.270 -1.165 1.00 0.00 C ATOM 197 O TYR A 13 -3.649 -8.632 -2.180 1.00 0.00 O ATOM 198 CB TYR A 13 -4.755 -7.242 0.076 1.00 0.00 C ATOM 199 CG TYR A 13 -5.588 -7.044 1.347 1.00 0.00 C ATOM 200 CD1 TYR A 13 -4.964 -7.063 2.576 1.00 0.00 C ATOM 201 CD2 TYR A 13 -6.959 -6.830 1.298 1.00 0.00 C ATOM 202 CE1 TYR A 13 -5.693 -6.870 3.725 1.00 0.00 C ATOM 203 CE2 TYR A 13 -7.675 -6.639 2.460 1.00 0.00 C ATOM 204 CZ TYR A 13 -7.041 -6.658 3.672 1.00 0.00 C ATOM 205 OH TYR A 13 -7.745 -6.454 4.837 1.00 0.00 O ATOM 0 H TYR A 13 -2.191 -7.158 -0.166 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.216 -9.072 1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.144 -6.356 -0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.420 -7.345 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.899 -7.230 2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.467 -6.813 0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.193 -6.886 4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -8.741 -6.474 2.414 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.692 -6.317 4.627 1.00 0.00 H new ATOM 215 N ARG A 14 -3.996 -10.577 -1.104 1.00 0.00 N ATOM 216 CA ARG A 14 -3.987 -11.546 -2.285 1.00 0.00 C ATOM 217 C ARG A 14 -3.618 -11.150 -3.751 1.00 0.00 C ATOM 218 O ARG A 14 -2.670 -11.716 -4.251 1.00 0.00 O ATOM 219 CB ARG A 14 -5.381 -12.272 -2.336 1.00 0.00 C ATOM 220 CG ARG A 14 -5.267 -13.733 -1.787 1.00 0.00 C ATOM 221 CD ARG A 14 -5.180 -13.796 -0.264 1.00 0.00 C ATOM 222 NE ARG A 14 -3.740 -13.649 0.160 1.00 0.00 N ATOM 223 CZ ARG A 14 -3.151 -14.622 0.761 1.00 0.00 C ATOM 224 NH1 ARG A 14 -3.644 -15.029 1.864 1.00 0.00 N ATOM 225 NH2 ARG A 14 -2.108 -15.150 0.250 1.00 0.00 N ATOM 0 H ARG A 14 -4.161 -11.052 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.101 -12.121 -2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.109 -11.713 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.748 -12.292 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.131 -14.308 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.384 -14.208 -2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.784 -13.004 0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.582 -14.743 0.096 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.236 -12.783 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.480 -14.585 2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.202 -15.799 2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.741 -14.801 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.641 -15.921 0.727 1.00 0.00 H new ATOM 239 N PRO A 15 -4.295 -10.264 -4.440 1.00 0.00 N ATOM 240 CA PRO A 15 -5.728 -9.883 -4.322 1.00 0.00 C ATOM 241 C PRO A 15 -6.754 -10.567 -5.293 1.00 0.00 C ATOM 242 O PRO A 15 -7.854 -10.929 -4.886 1.00 0.00 O ATOM 243 CB PRO A 15 -5.632 -8.376 -4.479 1.00 0.00 C ATOM 244 CG PRO A 15 -4.175 -8.083 -5.057 1.00 0.00 C ATOM 245 CD PRO A 15 -3.609 -9.441 -5.456 1.00 0.00 C ATOM 0 HA PRO A 15 -6.163 -10.234 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.402 -8.005 -5.156 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.780 -7.874 -3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.222 -7.411 -5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.546 -7.601 -4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.867 -9.725 -6.476 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.523 -9.488 -5.377 1.00 0.00 H new ATOM 253 N ALA A 16 -6.374 -10.712 -6.547 1.00 0.00 N ATOM 254 CA ALA A 16 -7.233 -11.337 -7.621 1.00 0.00 C ATOM 255 C ALA A 16 -8.068 -12.615 -7.279 1.00 0.00 C ATOM 256 O ALA A 16 -8.780 -13.108 -8.129 1.00 0.00 O ATOM 257 CB ALA A 16 -6.263 -11.542 -8.826 1.00 0.00 C ATOM 0 H ALA A 16 -5.461 -10.409 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.064 -10.660 -7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.805 -11.994 -9.657 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.860 -10.578 -9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.445 -12.197 -8.527 1.00 0.00 H new ATOM 263 N GLN A 17 -7.984 -13.100 -6.065 1.00 0.00 N ATOM 264 CA GLN A 17 -8.749 -14.305 -5.618 1.00 0.00 C ATOM 265 C GLN A 17 -10.253 -14.024 -5.769 1.00 0.00 C ATOM 266 O GLN A 17 -10.979 -14.859 -6.271 1.00 0.00 O ATOM 267 CB GLN A 17 -8.340 -14.605 -4.138 1.00 0.00 C ATOM 268 CG GLN A 17 -8.833 -13.536 -3.071 1.00 0.00 C ATOM 269 CD GLN A 17 -10.142 -13.967 -2.376 1.00 0.00 C ATOM 270 OE1 GLN A 17 -10.532 -15.110 -2.353 1.00 0.00 O ATOM 271 NE2 GLN A 17 -10.880 -13.099 -1.766 1.00 0.00 N ATOM 0 H GLN A 17 -7.394 -12.694 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.523 -15.183 -6.223 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.735 -15.582 -3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.253 -14.674 -4.085 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.056 -13.390 -2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.985 -12.576 -3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.605 -12.117 -1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.738 -13.396 -1.301 1.00 0.00 H new ATOM 280 N ASN A 18 -10.730 -12.868 -5.364 1.00 0.00 N ATOM 281 CA ASN A 18 -12.216 -12.618 -5.533 1.00 0.00 C ATOM 282 C ASN A 18 -12.178 -11.791 -6.847 1.00 0.00 C ATOM 283 O ASN A 18 -12.705 -10.697 -6.851 1.00 0.00 O ATOM 284 CB ASN A 18 -12.738 -11.772 -4.300 1.00 0.00 C ATOM 285 CG ASN A 18 -14.278 -11.822 -4.152 1.00 0.00 C ATOM 286 OD1 ASN A 18 -14.972 -12.580 -4.797 1.00 0.00 O ATOM 287 ND2 ASN A 18 -14.896 -11.049 -3.311 1.00 0.00 N ATOM 0 H ASN A 18 -10.191 -12.113 -4.941 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.869 -13.490 -5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.277 -12.146 -3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.421 -10.735 -4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -15.911 -11.101 -3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -14.367 -10.390 -2.740 1.00 0.00 H new ATOM 294 N ASN A 19 -11.563 -12.320 -7.914 1.00 0.00 N ATOM 295 CA ASN A 19 -11.442 -11.565 -9.263 1.00 0.00 C ATOM 296 C ASN A 19 -11.151 -10.124 -8.755 1.00 0.00 C ATOM 297 O ASN A 19 -11.620 -9.122 -9.259 1.00 0.00 O ATOM 298 CB ASN A 19 -12.824 -11.700 -9.970 1.00 0.00 C ATOM 299 CG ASN A 19 -12.910 -11.029 -11.339 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.044 -10.151 -11.721 1.00 0.00 O flip ATOM 301 ND2 ASN A 19 -13.794 -11.301 -12.118 1.00 0.00 N flip ATOM 0 H ASN A 19 -11.135 -13.246 -7.916 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.693 -11.905 -9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.056 -12.759 -10.085 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.591 -11.274 -9.323 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -14.503 -11.989 -11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.830 -10.843 -13.029 1.00 0.00 H new ATOM 308 N TRP A 20 -10.299 -10.214 -7.773 1.00 0.00 N ATOM 309 CA TRP A 20 -9.751 -9.177 -6.901 1.00 0.00 C ATOM 310 C TRP A 20 -10.718 -8.071 -6.666 1.00 0.00 C ATOM 311 O TRP A 20 -10.654 -6.945 -7.086 1.00 0.00 O ATOM 312 CB TRP A 20 -8.408 -8.435 -7.313 1.00 0.00 C ATOM 313 CG TRP A 20 -8.118 -7.939 -8.686 1.00 0.00 C ATOM 314 CD1 TRP A 20 -9.016 -7.593 -9.603 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.862 -7.734 -9.124 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.228 -7.191 -10.578 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.911 -7.225 -10.391 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.643 -7.922 -8.476 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.695 -6.904 -10.982 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.469 -7.591 -9.103 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.498 -7.085 -10.350 1.00 0.00 C ATOM 0 H TRP A 20 -9.916 -11.126 -7.523 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.528 -9.799 -6.034 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.323 -7.572 -6.653 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -7.594 -9.114 -7.057 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.094 -7.631 -9.560 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.619 -6.860 -11.460 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.622 -8.330 -7.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.697 -6.495 -11.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.525 -7.736 -8.598 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.577 -6.823 -10.849 1.00 0.00 H new ATOM 332 N ASP A 21 -11.712 -8.465 -5.922 1.00 0.00 N ATOM 333 CA ASP A 21 -12.793 -7.535 -5.484 1.00 0.00 C ATOM 334 C ASP A 21 -11.664 -7.206 -4.465 1.00 0.00 C ATOM 335 O ASP A 21 -11.429 -7.978 -3.563 1.00 0.00 O ATOM 336 CB ASP A 21 -13.954 -8.366 -4.908 1.00 0.00 C ATOM 337 CG ASP A 21 -14.998 -7.446 -4.283 1.00 0.00 C ATOM 338 OD1 ASP A 21 -14.941 -6.254 -4.542 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.794 -8.018 -3.564 1.00 0.00 O ATOM 0 H ASP A 21 -11.824 -9.422 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.339 -6.788 -6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.410 -8.963 -5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.577 -9.062 -4.159 1.00 0.00 H new ATOM 344 N LEU A 22 -11.018 -6.095 -4.629 1.00 0.00 N ATOM 345 CA LEU A 22 -9.860 -5.643 -3.789 1.00 0.00 C ATOM 346 C LEU A 22 -9.543 -6.461 -2.489 1.00 0.00 C ATOM 347 O LEU A 22 -9.609 -6.066 -1.342 1.00 0.00 O ATOM 348 CB LEU A 22 -10.211 -4.177 -3.577 1.00 0.00 C ATOM 349 CG LEU A 22 -10.205 -3.421 -4.942 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.083 -2.172 -4.841 1.00 0.00 C ATOM 351 CD2 LEU A 22 -8.792 -2.931 -5.163 1.00 0.00 C ATOM 0 H LEU A 22 -11.258 -5.429 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.901 -5.811 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.193 -4.094 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.495 -3.718 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.562 -4.077 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.078 -1.645 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.104 -2.464 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.694 -1.516 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.737 -2.394 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.507 -2.264 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.112 -3.782 -5.189 1.00 0.00 H new ATOM 363 N GLY A 23 -9.145 -7.662 -2.905 1.00 0.00 N ATOM 364 CA GLY A 23 -8.721 -8.865 -2.068 1.00 0.00 C ATOM 365 C GLY A 23 -9.584 -9.075 -0.814 1.00 0.00 C ATOM 366 O GLY A 23 -9.145 -9.581 0.198 1.00 0.00 O ATOM 0 H GLY A 23 -9.094 -7.872 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.768 -9.762 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.681 -8.739 -1.767 1.00 0.00 H new ATOM 370 N ALA A 24 -10.792 -8.641 -0.996 1.00 0.00 N ATOM 371 CA ALA A 24 -11.931 -8.636 -0.043 1.00 0.00 C ATOM 372 C ALA A 24 -13.048 -9.682 0.244 1.00 0.00 C ATOM 373 O ALA A 24 -14.170 -9.434 -0.144 1.00 0.00 O ATOM 374 CB ALA A 24 -12.597 -7.388 -0.306 1.00 0.00 C ATOM 0 H ALA A 24 -11.063 -8.236 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.358 -8.903 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.459 -7.290 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.908 -6.563 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.929 -7.365 -1.344 1.00 0.00 H new ATOM 380 N PRO A 25 -12.776 -10.761 0.903 1.00 0.00 N ATOM 381 CA PRO A 25 -13.859 -11.731 1.274 1.00 0.00 C ATOM 382 C PRO A 25 -14.945 -10.867 2.002 1.00 0.00 C ATOM 383 O PRO A 25 -15.891 -10.353 1.449 1.00 0.00 O ATOM 384 CB PRO A 25 -13.124 -12.766 2.144 1.00 0.00 C ATOM 385 CG PRO A 25 -11.601 -12.316 2.195 1.00 0.00 C ATOM 386 CD PRO A 25 -11.416 -11.044 1.346 1.00 0.00 C ATOM 0 HA PRO A 25 -14.375 -12.266 0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.551 -12.803 3.146 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.219 -13.766 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.301 -12.126 3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.961 -13.114 1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.000 -10.223 1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.742 -11.211 0.506 1.00 0.00 H new ATOM 394 N ALA A 26 -14.809 -10.738 3.276 1.00 0.00 N ATOM 395 CA ALA A 26 -15.769 -9.916 4.067 1.00 0.00 C ATOM 396 C ALA A 26 -15.168 -8.471 4.076 1.00 0.00 C ATOM 397 O ALA A 26 -15.168 -7.904 5.150 1.00 0.00 O ATOM 398 CB ALA A 26 -15.866 -10.553 5.466 1.00 0.00 C ATOM 0 H ALA A 26 -14.064 -11.170 3.822 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.781 -9.872 3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.561 -9.980 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.223 -11.579 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.882 -10.552 5.935 1.00 0.00 H new ATOM 404 N VAL A 27 -14.680 -7.872 3.003 1.00 0.00 N ATOM 405 CA VAL A 27 -14.117 -6.472 3.242 1.00 0.00 C ATOM 406 C VAL A 27 -14.759 -5.243 2.539 1.00 0.00 C ATOM 407 O VAL A 27 -15.740 -4.693 2.992 1.00 0.00 O ATOM 408 CB VAL A 27 -12.546 -6.599 2.898 1.00 0.00 C ATOM 409 CG1 VAL A 27 -11.706 -5.378 3.353 1.00 0.00 C ATOM 410 CG2 VAL A 27 -11.912 -7.883 3.444 1.00 0.00 C ATOM 0 H VAL A 27 -14.641 -8.240 2.053 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.358 -6.215 4.273 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.523 -6.635 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.661 -5.536 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.074 -4.479 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.792 -5.259 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.855 -7.908 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.015 -7.907 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.415 -8.749 3.013 1.00 0.00 H new ATOM 420 N SER A 28 -14.114 -4.919 1.462 1.00 0.00 N ATOM 421 CA SER A 28 -14.298 -3.853 0.462 1.00 0.00 C ATOM 422 C SER A 28 -13.262 -2.744 0.821 1.00 0.00 C ATOM 423 O SER A 28 -13.098 -2.380 1.966 1.00 0.00 O ATOM 424 CB SER A 28 -15.774 -3.313 0.496 1.00 0.00 C ATOM 425 OG SER A 28 -15.799 -2.242 1.434 1.00 0.00 O ATOM 0 H SER A 28 -13.303 -5.481 1.202 1.00 0.00 H new ATOM 0 HA SER A 28 -14.135 -4.214 -0.553 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.083 -2.969 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.467 -4.101 0.790 1.00 0.00 H new ATOM 0 HG SER A 28 -15.824 -2.605 2.344 1.00 0.00 H new ATOM 431 N ALA A 29 -12.557 -2.235 -0.153 1.00 0.00 N ATOM 432 CA ALA A 29 -11.528 -1.159 0.093 1.00 0.00 C ATOM 433 C ALA A 29 -12.140 0.257 -0.017 1.00 0.00 C ATOM 434 O ALA A 29 -13.224 0.369 -0.555 1.00 0.00 O ATOM 435 CB ALA A 29 -10.428 -1.413 -0.941 1.00 0.00 C ATOM 0 H ALA A 29 -12.646 -2.518 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.128 -1.200 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.641 -0.668 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.010 -2.409 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.849 -1.343 -1.944 1.00 0.00 H new ATOM 441 N TYR A 30 -11.488 1.312 0.451 1.00 0.00 N ATOM 442 CA TYR A 30 -12.151 2.675 0.316 1.00 0.00 C ATOM 443 C TYR A 30 -13.113 2.974 -0.836 1.00 0.00 C ATOM 444 O TYR A 30 -14.256 3.297 -0.593 1.00 0.00 O ATOM 445 CB TYR A 30 -11.084 3.822 0.279 1.00 0.00 C ATOM 446 CG TYR A 30 -11.278 4.821 1.436 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.525 5.425 1.524 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.309 5.180 2.348 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.790 6.365 2.496 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.582 6.126 3.325 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.827 6.721 3.401 1.00 0.00 C ATOM 452 OH TYR A 30 -12.123 7.663 4.362 1.00 0.00 O ATOM 0 H TYR A 30 -10.572 1.299 0.899 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.781 2.634 1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.085 3.391 0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.151 4.350 -0.672 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.298 5.154 0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.332 4.722 2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.766 6.825 2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.814 6.400 4.033 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.338 7.808 4.931 1.00 0.00 H new ATOM 462 N CYS A 31 -12.649 2.838 -2.040 1.00 0.00 N ATOM 463 CA CYS A 31 -13.521 3.126 -3.213 1.00 0.00 C ATOM 464 C CYS A 31 -14.001 1.840 -3.863 1.00 0.00 C ATOM 465 O CYS A 31 -14.357 1.845 -5.018 1.00 0.00 O ATOM 466 CB CYS A 31 -12.697 3.975 -4.204 1.00 0.00 C ATOM 467 SG CYS A 31 -12.011 5.484 -3.493 1.00 0.00 S ATOM 0 H CYS A 31 -11.701 2.539 -2.268 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.412 3.670 -2.899 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.881 3.367 -4.594 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.330 4.241 -5.051 1.00 0.00 H new ATOM 472 N ALA A 32 -14.048 0.755 -3.143 1.00 0.00 N ATOM 473 CA ALA A 32 -14.525 -0.501 -3.794 1.00 0.00 C ATOM 474 C ALA A 32 -15.954 -0.317 -4.325 1.00 0.00 C ATOM 475 O ALA A 32 -16.352 -0.939 -5.284 1.00 0.00 O ATOM 476 CB ALA A 32 -14.452 -1.609 -2.759 1.00 0.00 C ATOM 0 H ALA A 32 -13.786 0.680 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.901 -0.757 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.794 -2.544 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.422 -1.724 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.087 -1.356 -1.910 1.00 0.00 H new ATOM 482 N THR A 33 -16.663 0.556 -3.676 1.00 0.00 N ATOM 483 CA THR A 33 -18.083 0.882 -4.034 1.00 0.00 C ATOM 484 C THR A 33 -18.202 1.754 -5.307 1.00 0.00 C ATOM 485 O THR A 33 -19.275 1.952 -5.840 1.00 0.00 O ATOM 486 CB THR A 33 -18.638 1.579 -2.802 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.509 0.614 -1.759 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.123 1.843 -2.844 1.00 0.00 C ATOM 0 H THR A 33 -16.309 1.083 -2.878 1.00 0.00 H new ATOM 0 HA THR A 33 -18.646 -0.016 -4.287 1.00 0.00 H new ATOM 0 HB THR A 33 -18.115 2.529 -2.696 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.848 0.991 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.430 2.342 -1.925 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.355 2.479 -3.698 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.658 0.898 -2.940 1.00 0.00 H new ATOM 496 N TRP A 34 -17.075 2.241 -5.755 1.00 0.00 N ATOM 497 CA TRP A 34 -16.975 3.113 -6.970 1.00 0.00 C ATOM 498 C TRP A 34 -16.017 2.496 -8.052 1.00 0.00 C ATOM 499 O TRP A 34 -16.369 2.423 -9.212 1.00 0.00 O ATOM 500 CB TRP A 34 -16.557 4.511 -6.337 1.00 0.00 C ATOM 501 CG TRP A 34 -17.745 4.986 -5.440 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.058 5.024 -5.825 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.674 5.399 -4.151 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.679 5.454 -4.744 1.00 0.00 N ATOM 505 CE2 TRP A 34 -18.931 5.703 -3.682 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.588 5.541 -3.318 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.104 6.143 -2.387 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.752 5.980 -2.013 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.017 6.281 -1.552 1.00 0.00 C ATOM 0 H TRP A 34 -16.176 2.062 -5.308 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.886 3.221 -7.558 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.646 4.409 -5.747 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.350 5.241 -7.119 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.483 4.764 -6.783 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.690 5.588 -4.728 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.599 5.308 -3.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.094 6.380 -2.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.896 6.085 -1.363 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.155 6.625 -0.537 1.00 0.00 H new ATOM 520 N ASP A 35 -14.844 2.050 -7.679 1.00 0.00 N ATOM 521 CA ASP A 35 -13.840 1.435 -8.624 1.00 0.00 C ATOM 522 C ASP A 35 -14.095 -0.041 -8.967 1.00 0.00 C ATOM 523 O ASP A 35 -13.778 -0.486 -10.059 1.00 0.00 O ATOM 524 CB ASP A 35 -12.432 1.572 -8.001 1.00 0.00 C ATOM 525 CG ASP A 35 -11.786 2.865 -8.427 1.00 0.00 C ATOM 526 OD1 ASP A 35 -11.733 3.096 -9.628 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.378 3.529 -7.499 1.00 0.00 O ATOM 0 H ASP A 35 -14.520 2.086 -6.712 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.933 1.977 -9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.505 1.537 -6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.810 0.731 -8.307 1.00 0.00 H new ATOM 532 N ALA A 36 -14.663 -0.789 -8.040 1.00 0.00 N ATOM 533 CA ALA A 36 -14.926 -2.229 -8.365 1.00 0.00 C ATOM 534 C ALA A 36 -15.669 -2.243 -9.714 1.00 0.00 C ATOM 535 O ALA A 36 -15.497 -3.141 -10.504 1.00 0.00 O ATOM 536 CB ALA A 36 -15.779 -2.853 -7.259 1.00 0.00 C ATOM 0 H ALA A 36 -14.945 -0.478 -7.110 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.005 -2.808 -8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.971 -3.900 -7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.249 -2.786 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.726 -2.318 -7.185 1.00 0.00 H new ATOM 542 N SER A 37 -16.461 -1.231 -9.939 1.00 0.00 N ATOM 543 CA SER A 37 -17.254 -1.089 -11.212 1.00 0.00 C ATOM 544 C SER A 37 -16.424 -1.120 -12.514 1.00 0.00 C ATOM 545 O SER A 37 -17.002 -1.265 -13.575 1.00 0.00 O ATOM 546 CB SER A 37 -18.019 0.243 -11.210 1.00 0.00 C ATOM 547 OG SER A 37 -17.038 1.243 -11.479 1.00 0.00 O ATOM 0 H SER A 37 -16.601 -0.468 -9.276 1.00 0.00 H new ATOM 0 HA SER A 37 -17.909 -1.960 -11.216 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.803 0.247 -11.968 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.504 0.416 -10.249 1.00 0.00 H new ATOM 0 HG SER A 37 -16.994 1.869 -10.726 1.00 0.00 H new ATOM 553 N LYS A 38 -15.123 -0.983 -12.454 1.00 0.00 N ATOM 554 CA LYS A 38 -14.341 -1.013 -13.727 1.00 0.00 C ATOM 555 C LYS A 38 -13.968 -2.458 -14.061 1.00 0.00 C ATOM 556 O LYS A 38 -13.764 -3.256 -13.167 1.00 0.00 O ATOM 557 CB LYS A 38 -13.036 -0.177 -13.585 1.00 0.00 C ATOM 558 CG LYS A 38 -13.321 1.336 -13.650 1.00 0.00 C ATOM 559 CD LYS A 38 -13.736 1.879 -12.250 1.00 0.00 C ATOM 560 CE LYS A 38 -14.135 3.358 -12.319 1.00 0.00 C ATOM 561 NZ LYS A 38 -13.013 4.116 -12.963 1.00 0.00 N ATOM 0 H LYS A 38 -14.579 -0.855 -11.601 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.954 -0.588 -14.522 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.551 -0.416 -12.638 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.340 -0.451 -14.378 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.434 1.863 -14.002 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.115 1.531 -14.371 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.570 1.293 -11.864 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.909 1.756 -11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.054 3.478 -12.893 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.331 3.746 -11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.113 5.130 -12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.104 3.773 -12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.043 3.972 -13.993 1.00 0.00 H new ATOM 575 N PRO A 39 -13.874 -2.783 -15.332 1.00 0.00 N ATOM 576 CA PRO A 39 -13.548 -4.173 -15.775 1.00 0.00 C ATOM 577 C PRO A 39 -12.159 -4.640 -15.275 1.00 0.00 C ATOM 578 O PRO A 39 -11.521 -3.980 -14.475 1.00 0.00 O ATOM 579 CB PRO A 39 -13.690 -4.089 -17.314 1.00 0.00 C ATOM 580 CG PRO A 39 -13.268 -2.628 -17.588 1.00 0.00 C ATOM 581 CD PRO A 39 -14.051 -1.869 -16.501 1.00 0.00 C ATOM 0 HA PRO A 39 -14.204 -4.936 -15.356 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.045 -4.804 -17.824 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.710 -4.289 -17.643 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.191 -2.488 -17.491 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.542 -2.304 -18.592 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.641 -0.877 -16.314 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.100 -1.736 -16.765 1.00 0.00 H new ATOM 589 N LEU A 40 -11.723 -5.773 -15.760 1.00 0.00 N ATOM 590 CA LEU A 40 -10.391 -6.291 -15.322 1.00 0.00 C ATOM 591 C LEU A 40 -9.247 -5.614 -16.088 1.00 0.00 C ATOM 592 O LEU A 40 -8.297 -5.222 -15.448 1.00 0.00 O ATOM 593 CB LEU A 40 -10.406 -7.835 -15.530 1.00 0.00 C ATOM 594 CG LEU A 40 -10.232 -8.579 -14.183 1.00 0.00 C ATOM 595 CD1 LEU A 40 -10.525 -10.074 -14.431 1.00 0.00 C ATOM 596 CD2 LEU A 40 -8.766 -8.464 -13.707 1.00 0.00 C ATOM 0 H LEU A 40 -12.223 -6.356 -16.431 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.215 -6.060 -14.271 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.345 -8.134 -15.996 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.606 -8.121 -16.213 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.900 -8.151 -13.436 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.411 -10.627 -13.499 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.545 -10.189 -14.798 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.827 -10.464 -15.172 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.649 -8.989 -12.759 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.106 -8.908 -14.452 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.508 -7.413 -13.574 1.00 0.00 H new ATOM 608 N SER A 41 -9.330 -5.480 -17.395 1.00 0.00 N ATOM 609 CA SER A 41 -8.206 -4.808 -18.159 1.00 0.00 C ATOM 610 C SER A 41 -7.681 -3.544 -17.471 1.00 0.00 C ATOM 611 O SER A 41 -6.580 -3.557 -16.974 1.00 0.00 O ATOM 612 CB SER A 41 -8.672 -4.422 -19.585 1.00 0.00 C ATOM 613 OG SER A 41 -7.583 -3.626 -20.060 1.00 0.00 O ATOM 0 H SER A 41 -10.113 -5.800 -17.965 1.00 0.00 H new ATOM 0 HA SER A 41 -7.397 -5.538 -18.197 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.836 -5.300 -20.210 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.607 -3.862 -19.569 1.00 0.00 H new ATOM 0 HG SER A 41 -7.773 -3.323 -20.972 1.00 0.00 H new ATOM 619 N TRP A 42 -8.480 -2.501 -17.453 1.00 0.00 N ATOM 620 CA TRP A 42 -8.041 -1.218 -16.796 1.00 0.00 C ATOM 621 C TRP A 42 -7.370 -1.545 -15.447 1.00 0.00 C ATOM 622 O TRP A 42 -6.213 -1.236 -15.233 1.00 0.00 O ATOM 623 CB TRP A 42 -9.290 -0.350 -16.624 1.00 0.00 C ATOM 624 CG TRP A 42 -8.956 1.032 -16.053 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.385 2.026 -16.783 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.188 1.477 -14.795 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.311 3.013 -15.920 1.00 0.00 N ATOM 628 CE2 TRP A 42 -8.765 2.789 -14.696 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.753 0.850 -13.692 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.908 3.469 -13.500 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.895 1.532 -12.500 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.475 2.841 -12.403 1.00 0.00 C ATOM 0 H TRP A 42 -9.414 -2.479 -17.862 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.309 -0.677 -17.396 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.786 -0.234 -17.588 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.994 -0.855 -15.962 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.070 2.009 -17.816 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.919 3.917 -16.182 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.083 -0.176 -13.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.576 4.494 -13.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.335 1.040 -11.645 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.588 3.377 -11.472 1.00 0.00 H new ATOM 643 N ARG A 43 -8.129 -2.178 -14.583 1.00 0.00 N ATOM 644 CA ARG A 43 -7.584 -2.558 -13.240 1.00 0.00 C ATOM 645 C ARG A 43 -6.194 -3.272 -13.296 1.00 0.00 C ATOM 646 O ARG A 43 -5.275 -2.870 -12.621 1.00 0.00 O ATOM 647 CB ARG A 43 -8.629 -3.469 -12.531 1.00 0.00 C ATOM 648 CG ARG A 43 -9.869 -2.624 -12.090 1.00 0.00 C ATOM 649 CD ARG A 43 -10.722 -3.404 -11.066 1.00 0.00 C ATOM 650 NE ARG A 43 -11.844 -4.139 -11.749 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.495 -5.032 -11.099 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.456 -4.642 -10.375 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.137 -6.242 -11.219 1.00 0.00 N ATOM 0 H ARG A 43 -9.099 -2.447 -14.749 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.413 -1.637 -12.683 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.944 -4.266 -13.204 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.177 -3.946 -11.662 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.537 -1.682 -11.653 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.475 -2.375 -12.961 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.093 -4.113 -10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.130 -2.715 -10.327 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.084 -3.929 -12.718 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.687 -3.650 -10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.000 -5.320 -9.841 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.350 -6.484 -11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.636 -6.974 -10.714 1.00 0.00 H new ATOM 667 N SER A 44 -6.058 -4.312 -14.080 1.00 0.00 N ATOM 668 CA SER A 44 -4.721 -5.028 -14.158 1.00 0.00 C ATOM 669 C SER A 44 -3.687 -4.062 -14.785 1.00 0.00 C ATOM 670 O SER A 44 -2.620 -3.854 -14.256 1.00 0.00 O ATOM 671 CB SER A 44 -4.843 -6.307 -15.057 1.00 0.00 C ATOM 672 OG SER A 44 -5.065 -5.872 -16.403 1.00 0.00 O ATOM 0 H SER A 44 -6.796 -4.701 -14.667 1.00 0.00 H new ATOM 0 HA SER A 44 -4.408 -5.330 -13.158 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.935 -6.907 -14.994 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.666 -6.936 -14.718 1.00 0.00 H new ATOM 0 HG SER A 44 -5.144 -6.653 -16.990 1.00 0.00 H new ATOM 678 N LYS A 45 -4.068 -3.520 -15.922 1.00 0.00 N ATOM 679 CA LYS A 45 -3.269 -2.540 -16.754 1.00 0.00 C ATOM 680 C LYS A 45 -2.535 -1.484 -15.928 1.00 0.00 C ATOM 681 O LYS A 45 -1.339 -1.297 -16.030 1.00 0.00 O ATOM 682 CB LYS A 45 -4.229 -1.830 -17.742 1.00 0.00 C ATOM 683 CG LYS A 45 -3.480 -0.612 -18.344 1.00 0.00 C ATOM 684 CD LYS A 45 -4.365 0.146 -19.352 1.00 0.00 C ATOM 685 CE LYS A 45 -4.026 1.654 -19.324 1.00 0.00 C ATOM 686 NZ LYS A 45 -2.532 1.821 -19.267 1.00 0.00 N ATOM 0 H LYS A 45 -4.973 -3.735 -16.340 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.503 -3.116 -17.274 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.539 -2.515 -18.531 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.134 -1.505 -17.228 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.176 0.063 -17.544 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.569 -0.950 -18.838 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.210 -0.251 -20.355 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.417 -0.003 -19.109 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.426 2.146 -20.211 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.491 2.128 -18.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.268 2.732 -19.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.218 1.798 -18.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.076 1.048 -19.792 1.00 0.00 H new ATOM 700 N TYR A 46 -3.321 -0.794 -15.160 1.00 0.00 N ATOM 701 CA TYR A 46 -2.833 0.272 -14.256 1.00 0.00 C ATOM 702 C TYR A 46 -2.949 -0.153 -12.850 1.00 0.00 C ATOM 703 O TYR A 46 -4.010 -0.094 -12.261 1.00 0.00 O ATOM 704 CB TYR A 46 -3.608 1.591 -14.452 1.00 0.00 C ATOM 705 CG TYR A 46 -2.601 2.679 -14.867 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.564 2.536 -15.780 1.00 0.00 C ATOM 707 CD2 TYR A 46 -2.758 3.885 -14.215 1.00 0.00 C ATOM 708 CE1 TYR A 46 -0.710 3.608 -16.023 1.00 0.00 C ATOM 709 CE2 TYR A 46 -1.905 4.941 -14.464 1.00 0.00 C ATOM 710 CZ TYR A 46 -0.881 4.812 -15.368 1.00 0.00 C ATOM 711 OH TYR A 46 -0.035 5.876 -15.610 1.00 0.00 O ATOM 0 H TYR A 46 -4.331 -0.935 -15.122 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.786 0.448 -14.505 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.376 1.471 -15.216 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.117 1.874 -13.531 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.421 1.599 -16.298 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.559 4.004 -13.500 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.097 3.497 -16.733 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.045 5.877 -13.943 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.521 6.717 -15.478 1.00 0.00 H new ATOM 721 N GLY A 47 -1.778 -0.574 -12.434 1.00 0.00 N ATOM 722 CA GLY A 47 -1.557 -1.072 -11.060 1.00 0.00 C ATOM 723 C GLY A 47 -2.482 -0.416 -10.062 1.00 0.00 C ATOM 724 O GLY A 47 -2.775 0.734 -10.241 1.00 0.00 O ATOM 0 H GLY A 47 -0.944 -0.589 -13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.707 -2.151 -11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.522 -0.888 -10.770 1.00 0.00 H new ATOM 728 N TRP A 48 -2.919 -1.059 -9.044 1.00 0.00 N ATOM 729 CA TRP A 48 -3.854 -0.450 -8.047 1.00 0.00 C ATOM 730 C TRP A 48 -3.415 -0.926 -6.697 1.00 0.00 C ATOM 731 O TRP A 48 -3.887 -1.857 -6.098 1.00 0.00 O ATOM 732 CB TRP A 48 -5.280 -0.892 -8.545 1.00 0.00 C ATOM 733 CG TRP A 48 -5.508 -2.375 -8.270 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.515 -3.278 -8.024 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.694 -2.991 -8.215 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.158 -4.400 -7.837 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.467 -4.306 -7.927 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.992 -2.543 -8.366 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.495 -5.145 -7.782 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.047 -3.411 -8.219 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.780 -4.722 -7.924 1.00 0.00 C ATOM 0 H TRP A 48 -2.665 -2.025 -8.838 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.867 0.636 -7.959 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.046 -0.301 -8.043 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.375 -0.696 -9.613 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.449 -3.106 -7.992 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.682 -5.280 -7.637 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.178 -1.505 -8.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.302 -6.181 -7.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.064 -3.067 -8.334 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.593 -5.423 -7.804 1.00 0.00 H new ATOM 752 N THR A 49 -2.473 -0.235 -6.182 1.00 0.00 N ATOM 753 CA THR A 49 -2.015 -0.702 -4.857 1.00 0.00 C ATOM 754 C THR A 49 -2.824 -0.335 -3.634 1.00 0.00 C ATOM 755 O THR A 49 -3.257 0.785 -3.373 1.00 0.00 O ATOM 756 CB THR A 49 -0.581 -0.219 -4.667 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.288 -0.738 -3.390 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.480 1.309 -4.527 1.00 0.00 C ATOM 0 H THR A 49 -2.015 0.585 -6.580 1.00 0.00 H new ATOM 0 HA THR A 49 -2.133 -1.785 -4.903 1.00 0.00 H new ATOM 0 HB THR A 49 0.056 -0.514 -5.501 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.628 -0.495 -3.141 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.564 1.594 -4.394 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.874 1.784 -5.426 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.058 1.634 -3.662 1.00 0.00 H new ATOM 766 N ALA A 50 -3.058 -1.407 -2.913 1.00 0.00 N ATOM 767 CA ALA A 50 -3.832 -1.188 -1.627 1.00 0.00 C ATOM 768 C ALA A 50 -2.598 -0.836 -0.836 1.00 0.00 C ATOM 769 O ALA A 50 -1.977 -1.738 -0.329 1.00 0.00 O ATOM 770 CB ALA A 50 -4.470 -2.468 -1.026 1.00 0.00 C ATOM 0 H ALA A 50 -2.775 -2.363 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.681 -0.507 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.002 -2.213 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.169 -2.898 -1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.688 -3.194 -0.802 1.00 0.00 H new ATOM 776 N PHE A 51 -2.317 0.441 -0.778 1.00 0.00 N ATOM 777 CA PHE A 51 -1.122 0.959 -0.067 1.00 0.00 C ATOM 778 C PHE A 51 -1.180 1.230 1.466 1.00 0.00 C ATOM 779 O PHE A 51 -2.196 1.606 2.012 1.00 0.00 O ATOM 780 CB PHE A 51 -0.706 2.287 -0.906 1.00 0.00 C ATOM 781 CG PHE A 51 -0.213 3.490 -0.060 1.00 0.00 C ATOM 782 CD1 PHE A 51 -1.095 4.147 0.781 1.00 0.00 C ATOM 783 CD2 PHE A 51 1.094 3.945 -0.138 1.00 0.00 C ATOM 784 CE1 PHE A 51 -0.681 5.236 1.525 1.00 0.00 C ATOM 785 CE2 PHE A 51 1.504 5.036 0.608 1.00 0.00 C ATOM 786 CZ PHE A 51 0.618 5.679 1.437 1.00 0.00 C ATOM 0 H PHE A 51 -2.890 1.165 -1.211 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.387 0.154 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.079 2.017 -1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.566 2.608 -1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.117 3.805 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.798 3.444 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.379 5.740 2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.524 5.383 0.538 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.940 6.530 2.018 1.00 0.00 H new ATOM 796 N CYS A 52 -0.085 1.043 2.166 1.00 0.00 N ATOM 797 CA CYS A 52 -0.118 1.318 3.656 1.00 0.00 C ATOM 798 C CYS A 52 1.018 2.299 4.004 1.00 0.00 C ATOM 799 O CYS A 52 1.240 3.224 3.251 1.00 0.00 O ATOM 800 CB CYS A 52 0.054 0.012 4.417 1.00 0.00 C ATOM 801 SG CYS A 52 -1.081 -1.358 4.099 1.00 0.00 S ATOM 0 H CYS A 52 0.809 0.722 1.793 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.074 1.760 3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.064 -0.349 4.223 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.003 0.244 5.481 1.00 0.00 H new ATOM 806 N GLY A 53 1.711 2.117 5.103 1.00 0.00 N ATOM 807 CA GLY A 53 2.830 3.068 5.453 1.00 0.00 C ATOM 808 C GLY A 53 2.499 4.559 5.279 1.00 0.00 C ATOM 809 O GLY A 53 3.196 5.256 4.574 1.00 0.00 O ATOM 0 H GLY A 53 1.558 1.361 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.122 2.895 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.695 2.830 4.834 1.00 0.00 H new ATOM 813 N PRO A 54 1.451 5.013 5.925 1.00 0.00 N ATOM 814 CA PRO A 54 0.911 6.397 5.762 1.00 0.00 C ATOM 815 C PRO A 54 1.854 7.646 5.771 1.00 0.00 C ATOM 816 O PRO A 54 1.771 8.460 6.669 1.00 0.00 O ATOM 817 CB PRO A 54 -0.208 6.454 6.867 1.00 0.00 C ATOM 818 CG PRO A 54 0.134 5.299 7.847 1.00 0.00 C ATOM 819 CD PRO A 54 0.668 4.225 6.915 1.00 0.00 C ATOM 0 HA PRO A 54 0.591 6.513 4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.210 7.417 7.378 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.199 6.322 6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.876 5.600 8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.744 4.960 8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.292 3.504 7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.137 3.663 6.441 1.00 0.00 H new ATOM 827 N ALA A 55 2.728 7.819 4.808 1.00 0.00 N ATOM 828 CA ALA A 55 3.624 9.033 4.823 1.00 0.00 C ATOM 829 C ALA A 55 3.125 10.094 3.801 1.00 0.00 C ATOM 830 O ALA A 55 3.694 10.305 2.747 1.00 0.00 O ATOM 831 CB ALA A 55 5.070 8.556 4.506 1.00 0.00 C ATOM 0 H ALA A 55 2.863 7.185 4.020 1.00 0.00 H new ATOM 0 HA ALA A 55 3.607 9.515 5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.744 9.412 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.390 7.839 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.090 8.082 3.525 1.00 0.00 H new ATOM 837 N GLY A 56 2.040 10.731 4.165 1.00 0.00 N ATOM 838 CA GLY A 56 1.411 11.801 3.300 1.00 0.00 C ATOM 839 C GLY A 56 0.107 11.465 2.532 1.00 0.00 C ATOM 840 O GLY A 56 -0.030 11.942 1.421 1.00 0.00 O ATOM 0 H GLY A 56 1.547 10.557 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.208 12.663 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.155 12.114 2.567 1.00 0.00 H new ATOM 844 N PRO A 57 -0.806 10.702 3.091 1.00 0.00 N ATOM 845 CA PRO A 57 -2.093 10.365 2.408 1.00 0.00 C ATOM 846 C PRO A 57 -3.088 11.556 2.304 1.00 0.00 C ATOM 847 O PRO A 57 -3.120 12.458 3.120 1.00 0.00 O ATOM 848 CB PRO A 57 -2.611 9.195 3.249 1.00 0.00 C ATOM 849 CG PRO A 57 -2.187 9.660 4.669 1.00 0.00 C ATOM 850 CD PRO A 57 -0.723 10.070 4.438 1.00 0.00 C ATOM 0 HA PRO A 57 -1.962 10.111 1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.690 9.065 3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.152 8.247 2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.794 10.492 5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.277 8.861 5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.366 10.766 5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.049 9.213 4.449 1.00 0.00 H new ATOM 858 N ARG A 58 -3.903 11.511 1.271 1.00 0.00 N ATOM 859 CA ARG A 58 -4.928 12.600 1.037 1.00 0.00 C ATOM 860 C ARG A 58 -6.414 12.167 1.199 1.00 0.00 C ATOM 861 O ARG A 58 -7.275 12.541 0.423 1.00 0.00 O ATOM 862 CB ARG A 58 -4.656 13.189 -0.399 1.00 0.00 C ATOM 863 CG ARG A 58 -5.362 14.583 -0.626 1.00 0.00 C ATOM 864 CD ARG A 58 -4.601 15.699 0.099 1.00 0.00 C ATOM 865 NE ARG A 58 -5.212 17.019 -0.314 1.00 0.00 N ATOM 866 CZ ARG A 58 -5.534 17.930 0.527 1.00 0.00 C ATOM 867 NH1 ARG A 58 -4.732 18.162 1.488 1.00 0.00 N ATOM 868 NH2 ARG A 58 -6.631 18.552 0.356 1.00 0.00 N ATOM 0 H ARG A 58 -3.906 10.766 0.574 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.802 13.348 1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.582 13.302 -0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.006 12.482 -1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.411 14.802 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.389 14.540 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.669 15.568 1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.543 15.670 -0.160 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.375 17.192 -1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.866 17.630 1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.956 18.880 2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.230 18.321 -0.436 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.911 19.282 1.011 1.00 0.00 H new ATOM 882 N GLY A 59 -6.655 11.410 2.243 1.00 0.00 N ATOM 883 CA GLY A 59 -8.049 10.893 2.542 1.00 0.00 C ATOM 884 C GLY A 59 -8.755 10.391 1.278 1.00 0.00 C ATOM 885 O GLY A 59 -8.103 9.970 0.346 1.00 0.00 O ATOM 0 H GLY A 59 -5.944 11.120 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.988 10.084 3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.641 11.687 2.997 1.00 0.00 H new ATOM 889 N GLN A 60 -10.062 10.423 1.261 1.00 0.00 N ATOM 890 CA GLN A 60 -10.831 9.952 0.047 1.00 0.00 C ATOM 891 C GLN A 60 -10.115 10.345 -1.295 1.00 0.00 C ATOM 892 O GLN A 60 -9.865 9.533 -2.166 1.00 0.00 O ATOM 893 CB GLN A 60 -12.268 10.574 0.121 1.00 0.00 C ATOM 894 CG GLN A 60 -13.007 10.172 1.456 1.00 0.00 C ATOM 895 CD GLN A 60 -14.461 10.689 1.485 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.272 10.410 0.633 1.00 0.00 O ATOM 897 NE2 GLN A 60 -14.865 11.452 2.447 1.00 0.00 N ATOM 0 H GLN A 60 -10.641 10.754 2.033 1.00 0.00 H new ATOM 0 HA GLN A 60 -10.885 8.863 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.199 11.660 0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.854 10.240 -0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.005 9.087 1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.461 10.575 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.221 11.718 3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.828 11.788 2.461 1.00 0.00 H new ATOM 906 N ALA A 61 -9.804 11.617 -1.393 1.00 0.00 N ATOM 907 CA ALA A 61 -9.111 12.209 -2.596 1.00 0.00 C ATOM 908 C ALA A 61 -7.831 11.490 -3.055 1.00 0.00 C ATOM 909 O ALA A 61 -7.395 11.674 -4.175 1.00 0.00 O ATOM 910 CB ALA A 61 -8.785 13.664 -2.272 1.00 0.00 C ATOM 0 H ALA A 61 -10.008 12.299 -0.662 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.801 12.099 -3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.282 14.122 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.707 14.205 -2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.132 13.705 -1.400 1.00 0.00 H new ATOM 916 N ALA A 62 -7.274 10.719 -2.166 1.00 0.00 N ATOM 917 CA ALA A 62 -6.032 9.944 -2.426 1.00 0.00 C ATOM 918 C ALA A 62 -6.492 8.638 -3.138 1.00 0.00 C ATOM 919 O ALA A 62 -5.938 8.254 -4.145 1.00 0.00 O ATOM 920 CB ALA A 62 -5.370 9.724 -1.029 1.00 0.00 C ATOM 0 H ALA A 62 -7.648 10.590 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.292 10.424 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.447 9.157 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.146 10.690 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.054 9.171 -0.385 1.00 0.00 H new ATOM 926 N CYS A 63 -7.497 7.982 -2.613 1.00 0.00 N ATOM 927 CA CYS A 63 -8.049 6.705 -3.205 1.00 0.00 C ATOM 928 C CYS A 63 -8.350 6.857 -4.722 1.00 0.00 C ATOM 929 O CYS A 63 -8.357 5.903 -5.474 1.00 0.00 O ATOM 930 CB CYS A 63 -9.315 6.356 -2.385 1.00 0.00 C ATOM 931 SG CYS A 63 -10.254 4.848 -2.727 1.00 0.00 S ATOM 0 H CYS A 63 -7.980 8.284 -1.767 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.320 5.897 -3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.017 6.317 -1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.005 7.193 -2.489 1.00 0.00 H new ATOM 936 N GLY A 64 -8.594 8.081 -5.119 1.00 0.00 N ATOM 937 CA GLY A 64 -8.900 8.408 -6.561 1.00 0.00 C ATOM 938 C GLY A 64 -7.666 8.857 -7.365 1.00 0.00 C ATOM 939 O GLY A 64 -7.790 9.345 -8.473 1.00 0.00 O ATOM 0 H GLY A 64 -8.596 8.889 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.336 7.531 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.652 9.196 -6.595 1.00 0.00 H new ATOM 943 N LYS A 65 -6.504 8.684 -6.797 1.00 0.00 N ATOM 944 CA LYS A 65 -5.227 9.063 -7.471 1.00 0.00 C ATOM 945 C LYS A 65 -4.323 7.839 -7.702 1.00 0.00 C ATOM 946 O LYS A 65 -4.676 6.704 -7.433 1.00 0.00 O ATOM 947 CB LYS A 65 -4.497 10.073 -6.595 1.00 0.00 C ATOM 948 CG LYS A 65 -5.246 11.397 -6.592 1.00 0.00 C ATOM 949 CD LYS A 65 -4.303 12.427 -5.941 1.00 0.00 C ATOM 950 CE LYS A 65 -4.916 13.808 -6.088 1.00 0.00 C ATOM 951 NZ LYS A 65 -3.891 14.831 -5.686 1.00 0.00 N ATOM 0 H LYS A 65 -6.383 8.284 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.462 9.492 -8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.413 9.691 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.482 10.221 -6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.509 11.697 -7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.178 11.315 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.154 12.190 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.323 12.396 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.233 13.974 -7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.805 13.896 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.296 15.784 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.610 14.671 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.056 14.746 -6.301 1.00 0.00 H new ATOM 965 N CYS A 66 -3.152 8.121 -8.203 1.00 0.00 N ATOM 966 CA CYS A 66 -2.134 7.091 -8.495 1.00 0.00 C ATOM 967 C CYS A 66 -0.851 7.409 -7.703 1.00 0.00 C ATOM 968 O CYS A 66 -0.636 8.496 -7.206 1.00 0.00 O ATOM 969 CB CYS A 66 -1.941 7.108 -10.024 1.00 0.00 C ATOM 970 SG CYS A 66 -3.149 6.100 -10.927 1.00 0.00 S ATOM 0 H CYS A 66 -2.854 9.070 -8.429 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.429 6.088 -8.187 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.004 8.137 -10.377 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.938 6.752 -10.258 1.00 0.00 H new ATOM 975 N LEU A 67 -0.028 6.422 -7.602 1.00 0.00 N ATOM 976 CA LEU A 67 1.269 6.518 -6.877 1.00 0.00 C ATOM 977 C LEU A 67 2.361 6.315 -7.930 1.00 0.00 C ATOM 978 O LEU A 67 2.311 5.355 -8.675 1.00 0.00 O ATOM 979 CB LEU A 67 1.301 5.400 -5.811 1.00 0.00 C ATOM 980 CG LEU A 67 1.658 5.916 -4.405 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.758 4.708 -3.448 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.995 6.668 -4.405 1.00 0.00 C ATOM 0 H LEU A 67 -0.203 5.504 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 67 1.411 7.474 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.327 4.912 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.027 4.643 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 67 0.881 6.608 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.011 5.057 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.802 4.186 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.533 4.027 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.216 7.018 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.789 5.999 -4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.932 7.522 -5.080 1.00 0.00 H new ATOM 994 N ARG A 68 3.319 7.193 -7.990 1.00 0.00 N ATOM 995 CA ARG A 68 4.394 7.016 -9.000 1.00 0.00 C ATOM 996 C ARG A 68 5.576 6.619 -8.102 1.00 0.00 C ATOM 997 O ARG A 68 6.004 7.356 -7.227 1.00 0.00 O ATOM 998 CB ARG A 68 4.578 8.369 -9.726 1.00 0.00 C ATOM 999 CG ARG A 68 5.689 8.307 -10.797 1.00 0.00 C ATOM 1000 CD ARG A 68 5.257 7.424 -12.012 1.00 0.00 C ATOM 1001 NE ARG A 68 6.327 7.426 -13.087 1.00 0.00 N ATOM 1002 CZ ARG A 68 7.100 8.404 -13.349 1.00 0.00 C ATOM 1003 NH1 ARG A 68 7.928 8.792 -12.475 1.00 0.00 N ATOM 1004 NH2 ARG A 68 6.992 8.935 -14.497 1.00 0.00 N ATOM 0 H ARG A 68 3.405 8.015 -7.392 1.00 0.00 H new ATOM 0 HA ARG A 68 4.230 6.284 -9.791 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.638 8.659 -10.196 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.821 9.141 -8.996 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.922 9.315 -11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.600 7.902 -10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.073 6.403 -11.678 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.320 7.798 -12.424 1.00 0.00 H new ATOM 0 HE ARG A 68 6.436 6.578 -13.643 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.972 8.323 -11.570 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.551 9.574 -12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.308 8.576 -15.163 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.589 9.721 -14.754 1.00 0.00 H new ATOM 1018 N VAL A 69 6.038 5.429 -8.366 1.00 0.00 N ATOM 1019 CA VAL A 69 7.180 4.823 -7.613 1.00 0.00 C ATOM 1020 C VAL A 69 8.400 4.598 -8.508 1.00 0.00 C ATOM 1021 O VAL A 69 8.298 4.003 -9.567 1.00 0.00 O ATOM 1022 CB VAL A 69 6.715 3.469 -7.023 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.890 2.774 -6.284 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.576 3.725 -6.026 1.00 0.00 C ATOM 0 H VAL A 69 5.659 4.828 -9.098 1.00 0.00 H new ATOM 0 HA VAL A 69 7.477 5.512 -6.822 1.00 0.00 H new ATOM 0 HB VAL A 69 6.372 2.824 -7.832 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.550 1.823 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.706 2.596 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.240 3.414 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.241 2.777 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.932 4.372 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.744 4.207 -6.540 1.00 0.00 H new ATOM 1034 N THR A 70 9.505 5.093 -8.008 1.00 0.00 N ATOM 1035 CA THR A 70 10.838 4.986 -8.710 1.00 0.00 C ATOM 1036 C THR A 70 11.853 4.294 -7.759 1.00 0.00 C ATOM 1037 O THR A 70 11.916 4.651 -6.588 1.00 0.00 O ATOM 1038 CB THR A 70 11.339 6.396 -9.082 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.471 6.818 -10.136 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.719 6.276 -9.751 1.00 0.00 C ATOM 0 H THR A 70 9.547 5.583 -7.115 1.00 0.00 H new ATOM 0 HA THR A 70 10.734 4.397 -9.621 1.00 0.00 H new ATOM 0 HB THR A 70 11.372 7.049 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.727 7.717 -10.430 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.082 7.269 -10.018 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.419 5.808 -9.059 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.635 5.666 -10.651 1.00 0.00 H new ATOM 1048 N ASN A 71 12.580 3.353 -8.327 1.00 0.00 N ATOM 1049 CA ASN A 71 13.624 2.526 -7.620 1.00 0.00 C ATOM 1050 C ASN A 71 15.130 2.731 -8.021 1.00 0.00 C ATOM 1051 O ASN A 71 15.599 2.091 -8.955 1.00 0.00 O ATOM 1052 CB ASN A 71 13.117 1.103 -7.860 1.00 0.00 C ATOM 1053 CG ASN A 71 13.950 0.032 -7.153 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.459 0.225 -6.074 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.112 -1.117 -7.711 1.00 0.00 N ATOM 0 H ASN A 71 12.484 3.112 -9.313 1.00 0.00 H new ATOM 0 HA ASN A 71 13.702 2.824 -6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.084 1.032 -7.520 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.115 0.902 -8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.660 -1.839 -7.242 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.693 -1.305 -8.622 1.00 0.00 H new ATOM 1062 N PRO A 72 15.849 3.597 -7.316 1.00 0.00 N ATOM 1063 CA PRO A 72 17.152 4.179 -7.787 1.00 0.00 C ATOM 1064 C PRO A 72 17.982 3.131 -8.533 1.00 0.00 C ATOM 1065 O PRO A 72 18.185 3.229 -9.723 1.00 0.00 O ATOM 1066 CB PRO A 72 17.830 4.693 -6.510 1.00 0.00 C ATOM 1067 CG PRO A 72 16.647 5.063 -5.590 1.00 0.00 C ATOM 1068 CD PRO A 72 15.486 4.087 -5.956 1.00 0.00 C ATOM 0 HA PRO A 72 17.024 4.986 -8.508 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.465 3.930 -6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.464 5.556 -6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.924 4.962 -4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.346 6.100 -5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.413 3.267 -5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.522 4.595 -5.958 1.00 0.00 H new ATOM 1076 N ALA A 73 18.413 2.169 -7.756 1.00 0.00 N ATOM 1077 CA ALA A 73 19.242 0.992 -8.185 1.00 0.00 C ATOM 1078 C ALA A 73 19.087 0.554 -9.655 1.00 0.00 C ATOM 1079 O ALA A 73 20.000 0.055 -10.279 1.00 0.00 O ATOM 1080 CB ALA A 73 18.871 -0.157 -7.241 1.00 0.00 C ATOM 0 H ALA A 73 18.205 2.153 -6.758 1.00 0.00 H new ATOM 0 HA ALA A 73 20.290 1.285 -8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.445 -1.045 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.097 0.129 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.806 -0.373 -7.332 1.00 0.00 H new ATOM 1086 N THR A 74 17.909 0.753 -10.155 1.00 0.00 N ATOM 1087 CA THR A 74 17.609 0.367 -11.570 1.00 0.00 C ATOM 1088 C THR A 74 17.313 1.616 -12.398 1.00 0.00 C ATOM 1089 O THR A 74 17.699 1.746 -13.544 1.00 0.00 O ATOM 1090 CB THR A 74 16.393 -0.586 -11.554 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.287 0.225 -11.170 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.494 -1.594 -10.393 1.00 0.00 C ATOM 0 H THR A 74 17.128 1.169 -9.648 1.00 0.00 H new ATOM 0 HA THR A 74 18.464 -0.135 -12.023 1.00 0.00 H new ATOM 0 HB THR A 74 16.321 -1.092 -12.517 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.496 0.687 -10.331 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.625 -2.252 -10.406 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.401 -2.188 -10.505 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.527 -1.056 -9.446 1.00 0.00 H new ATOM 1100 N GLY A 75 16.617 2.511 -11.755 1.00 0.00 N ATOM 1101 CA GLY A 75 16.220 3.797 -12.403 1.00 0.00 C ATOM 1102 C GLY A 75 14.834 3.564 -12.992 1.00 0.00 C ATOM 1103 O GLY A 75 14.319 4.388 -13.718 1.00 0.00 O ATOM 0 H GLY A 75 16.300 2.406 -10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.203 4.610 -11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.931 4.078 -13.180 1.00 0.00 H new ATOM 1107 N ALA A 76 14.266 2.435 -12.650 1.00 0.00 N ATOM 1108 CA ALA A 76 12.919 2.053 -13.141 1.00 0.00 C ATOM 1109 C ALA A 76 11.799 2.653 -12.264 1.00 0.00 C ATOM 1110 O ALA A 76 11.874 2.723 -11.048 1.00 0.00 O ATOM 1111 CB ALA A 76 12.881 0.516 -13.143 1.00 0.00 C ATOM 0 H ALA A 76 14.698 1.747 -12.033 1.00 0.00 H new ATOM 0 HA ALA A 76 12.743 2.447 -14.142 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.908 0.177 -13.497 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.661 0.134 -13.802 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.048 0.147 -12.131 1.00 0.00 H new ATOM 1117 N GLN A 77 10.793 3.071 -12.984 1.00 0.00 N ATOM 1118 CA GLN A 77 9.581 3.698 -12.381 1.00 0.00 C ATOM 1119 C GLN A 77 8.236 3.231 -12.981 1.00 0.00 C ATOM 1120 O GLN A 77 8.140 2.922 -14.152 1.00 0.00 O ATOM 1121 CB GLN A 77 9.755 5.246 -12.527 1.00 0.00 C ATOM 1122 CG GLN A 77 10.095 5.738 -13.980 1.00 0.00 C ATOM 1123 CD GLN A 77 8.984 5.430 -14.971 1.00 0.00 C ATOM 1124 OE1 GLN A 77 7.844 5.840 -14.827 1.00 0.00 O ATOM 1125 NE2 GLN A 77 9.282 4.704 -16.000 1.00 0.00 N ATOM 0 H GLN A 77 10.761 3.001 -14.001 1.00 0.00 H new ATOM 0 HA GLN A 77 9.519 3.384 -11.339 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.836 5.733 -12.200 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.547 5.573 -11.853 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.276 6.813 -13.964 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.018 5.264 -14.314 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.234 4.360 -16.123 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.565 4.476 -16.688 1.00 0.00 H new ATOM 1134 N ILE A 78 7.229 3.184 -12.156 1.00 0.00 N ATOM 1135 CA ILE A 78 5.869 2.750 -12.637 1.00 0.00 C ATOM 1136 C ILE A 78 4.709 3.579 -12.010 1.00 0.00 C ATOM 1137 O ILE A 78 4.922 4.195 -10.974 1.00 0.00 O ATOM 1138 CB ILE A 78 5.796 1.260 -12.298 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.911 0.515 -13.323 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.224 1.036 -10.891 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.647 0.333 -14.671 1.00 0.00 C ATOM 0 H ILE A 78 7.279 3.426 -11.166 1.00 0.00 H new ATOM 0 HA ILE A 78 5.744 2.924 -13.706 1.00 0.00 H new ATOM 0 HB ILE A 78 6.812 0.868 -12.334 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.631 -0.460 -12.924 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.988 1.072 -13.482 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.185 -0.033 -10.680 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.862 1.528 -10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.219 1.454 -10.836 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.999 -0.194 -15.371 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.904 1.310 -15.080 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.557 -0.245 -14.513 1.00 0.00 H new ATOM 1153 N THR A 79 3.541 3.568 -12.630 1.00 0.00 N ATOM 1154 CA THR A 79 2.365 4.346 -12.078 1.00 0.00 C ATOM 1155 C THR A 79 1.272 3.383 -11.567 1.00 0.00 C ATOM 1156 O THR A 79 0.669 2.674 -12.352 1.00 0.00 O ATOM 1157 CB THR A 79 1.705 5.233 -13.165 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.696 6.057 -13.740 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.817 6.318 -12.576 1.00 0.00 C ATOM 0 H THR A 79 3.350 3.056 -13.491 1.00 0.00 H new ATOM 0 HA THR A 79 2.757 4.966 -11.272 1.00 0.00 H new ATOM 0 HB THR A 79 1.182 4.536 -13.820 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.291 6.622 -14.431 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.381 6.909 -13.382 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.020 5.858 -11.991 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.412 6.966 -11.932 1.00 0.00 H new ATOM 1167 N ALA A 80 1.043 3.380 -10.282 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.009 2.472 -9.706 1.00 0.00 C ATOM 1169 C ALA A 80 -1.206 3.330 -9.242 1.00 0.00 C ATOM 1170 O ALA A 80 -1.117 4.537 -9.229 1.00 0.00 O ATOM 1171 CB ALA A 80 0.639 1.692 -8.537 1.00 0.00 C ATOM 0 H ALA A 80 1.533 3.962 -9.603 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.383 1.758 -10.440 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.098 1.022 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.481 1.110 -8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.991 2.395 -7.781 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.267 2.685 -8.866 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.515 3.350 -8.402 1.00 0.00 C ATOM 1179 C ARG A 81 -3.495 3.283 -6.864 1.00 0.00 C ATOM 1180 O ARG A 81 -3.184 2.262 -6.296 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.699 2.551 -9.043 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.778 3.442 -9.681 1.00 0.00 C ATOM 1183 CD ARG A 81 -7.048 2.570 -9.842 1.00 0.00 C ATOM 1184 NE ARG A 81 -7.749 2.406 -8.510 1.00 0.00 N ATOM 1185 CZ ARG A 81 -7.671 3.301 -7.586 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -6.576 3.598 -7.040 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -8.712 3.900 -7.218 1.00 0.00 N ATOM 0 H ARG A 81 -2.324 1.667 -8.861 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.615 4.396 -8.692 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.301 1.878 -9.803 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.162 1.929 -8.277 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.983 4.309 -9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.444 3.820 -10.648 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.724 3.031 -10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.777 1.592 -10.240 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.298 1.564 -8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.719 3.126 -7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.546 4.311 -6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.609 3.676 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.661 4.610 -6.487 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.829 4.366 -6.224 1.00 0.00 N ATOM 1202 CA ILE A 82 -3.836 4.391 -4.732 1.00 0.00 C ATOM 1203 C ILE A 82 -5.251 3.959 -4.482 1.00 0.00 C ATOM 1204 O ILE A 82 -6.163 4.729 -4.707 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.546 5.829 -4.241 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.199 6.235 -4.879 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -3.502 5.844 -2.690 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -1.529 7.413 -4.183 1.00 0.00 C ATOM 0 H ILE A 82 -4.100 5.242 -6.671 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.095 3.774 -4.223 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.318 6.541 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.524 5.379 -4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.363 6.487 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.298 6.856 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.462 5.511 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.715 5.175 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.588 7.644 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.186 8.282 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.333 7.157 -3.142 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.427 2.749 -4.032 1.00 0.00 N ATOM 1221 CA VAL A 83 -6.837 2.265 -3.771 1.00 0.00 C ATOM 1222 C VAL A 83 -7.044 2.168 -2.278 1.00 0.00 C ATOM 1223 O VAL A 83 -8.031 2.655 -1.773 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.085 0.854 -4.413 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -8.523 0.825 -4.985 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -6.101 0.580 -5.531 1.00 0.00 C ATOM 0 H VAL A 83 -4.684 2.079 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.536 2.972 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.952 0.089 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.716 -0.148 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.238 1.000 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.630 1.603 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.298 -0.404 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.211 1.338 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.085 0.608 -5.137 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.118 1.543 -1.597 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.325 1.451 -0.096 1.00 0.00 C ATOM 1238 C ASP A 84 -5.264 2.285 0.675 1.00 0.00 C ATOM 1239 O ASP A 84 -4.197 2.615 0.181 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.248 -0.031 0.364 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.438 -0.354 1.295 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.573 0.383 2.263 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -8.130 -1.305 0.975 1.00 0.00 O ATOM 0 H ASP A 84 -5.273 1.112 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.312 1.856 0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.263 -0.691 -0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.308 -0.211 0.885 1.00 0.00 H new ATOM 1248 N GLN A 85 -5.656 2.574 1.889 1.00 0.00 N ATOM 1249 CA GLN A 85 -4.851 3.383 2.859 1.00 0.00 C ATOM 1250 C GLN A 85 -4.702 2.671 4.232 1.00 0.00 C ATOM 1251 O GLN A 85 -5.402 3.000 5.176 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.578 4.759 3.005 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.546 5.591 1.676 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.223 6.953 1.853 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -5.503 8.026 1.830 1.00 0.00 O flip ATOM 1256 NE2 GLN A 85 -7.414 7.102 2.015 1.00 0.00 N flip ATOM 0 H GLN A 85 -6.551 2.265 2.268 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.834 3.515 2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.613 4.591 3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.107 5.334 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.513 5.735 1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.047 5.034 0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.031 6.290 2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.800 8.040 2.125 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.807 1.728 4.346 1.00 0.00 N ATOM 1266 CA CYS A 86 -3.667 1.032 5.681 1.00 0.00 C ATOM 1267 C CYS A 86 -2.439 1.456 6.512 1.00 0.00 C ATOM 1268 O CYS A 86 -1.577 2.181 6.074 1.00 0.00 O ATOM 1269 CB CYS A 86 -3.646 -0.481 5.416 1.00 0.00 C ATOM 1270 SG CYS A 86 -2.171 -1.454 5.795 1.00 0.00 S ATOM 0 H CYS A 86 -3.181 1.409 3.607 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.518 1.328 6.294 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.473 -0.918 5.976 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.865 -0.626 4.358 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.392 0.979 7.726 1.00 0.00 N ATOM 1276 CA ALA A 87 -1.276 1.290 8.692 1.00 0.00 C ATOM 1277 C ALA A 87 -0.470 0.078 9.228 1.00 0.00 C ATOM 1278 O ALA A 87 0.713 0.183 9.485 1.00 0.00 O ATOM 1279 CB ALA A 87 -1.928 2.080 9.844 1.00 0.00 C ATOM 0 H ALA A 87 -3.106 0.361 8.111 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.513 1.854 8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.170 2.338 10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.377 2.992 9.451 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.699 1.469 10.313 1.00 0.00 H new ATOM 1285 N ASN A 88 -1.121 -1.043 9.379 1.00 0.00 N ATOM 1286 CA ASN A 88 -0.441 -2.279 9.901 1.00 0.00 C ATOM 1287 C ASN A 88 -0.140 -3.317 8.780 1.00 0.00 C ATOM 1288 O ASN A 88 -0.974 -3.633 7.956 1.00 0.00 O ATOM 1289 CB ASN A 88 -1.388 -2.827 11.000 1.00 0.00 C ATOM 1290 CG ASN A 88 -2.766 -3.039 10.398 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -3.624 -2.073 10.363 1.00 0.00 O flip ATOM 1292 ND2 ASN A 88 -3.120 -4.092 9.930 1.00 0.00 N flip ATOM 0 H ASN A 88 -2.110 -1.163 9.161 1.00 0.00 H new ATOM 0 HA ASN A 88 0.545 -2.054 10.307 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.001 -3.765 11.398 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.444 -2.127 11.833 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.484 -4.890 9.930 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.055 -4.185 9.534 1.00 0.00 H new ATOM 1299 N GLY A 89 1.072 -3.813 8.795 1.00 0.00 N ATOM 1300 CA GLY A 89 1.538 -4.822 7.788 1.00 0.00 C ATOM 1301 C GLY A 89 2.569 -4.081 6.929 1.00 0.00 C ATOM 1302 O GLY A 89 3.304 -3.252 7.423 1.00 0.00 O ATOM 0 H GLY A 89 1.779 -3.554 9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.982 -5.690 8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.709 -5.186 7.182 1.00 0.00 H new ATOM 1306 N GLY A 90 2.613 -4.384 5.667 1.00 0.00 N ATOM 1307 CA GLY A 90 3.581 -3.701 4.736 1.00 0.00 C ATOM 1308 C GLY A 90 2.682 -2.724 3.946 1.00 0.00 C ATOM 1309 O GLY A 90 1.651 -2.393 4.472 1.00 0.00 O ATOM 0 H GLY A 90 2.017 -5.083 5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.363 -3.175 5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.077 -4.414 4.077 1.00 0.00 H new ATOM 1313 N LEU A 91 2.951 -2.249 2.758 1.00 0.00 N ATOM 1314 CA LEU A 91 1.977 -1.298 2.093 1.00 0.00 C ATOM 1315 C LEU A 91 1.342 -1.637 0.709 1.00 0.00 C ATOM 1316 O LEU A 91 1.434 -0.817 -0.174 1.00 0.00 O ATOM 1317 CB LEU A 91 2.828 0.123 2.186 1.00 0.00 C ATOM 1318 CG LEU A 91 2.991 1.068 0.910 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.670 2.431 1.290 1.00 0.00 C ATOM 1320 CD2 LEU A 91 3.975 0.430 -0.100 1.00 0.00 C ATOM 0 H LEU A 91 3.787 -2.467 2.216 1.00 0.00 H new ATOM 0 HA LEU A 91 1.012 -1.313 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.365 0.722 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.832 -0.128 2.528 1.00 0.00 H new ATOM 0 HG LEU A 91 1.988 1.209 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.766 3.051 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.058 2.949 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.659 2.241 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.080 1.082 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.948 0.297 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.592 -0.539 -0.419 1.00 0.00 H new ATOM 1332 N ASP A 92 0.708 -2.792 0.525 1.00 0.00 N ATOM 1333 CA ASP A 92 0.101 -3.074 -0.854 1.00 0.00 C ATOM 1334 C ASP A 92 -1.124 -4.105 -1.171 1.00 0.00 C ATOM 1335 O ASP A 92 -1.411 -5.130 -0.566 1.00 0.00 O ATOM 1336 CB ASP A 92 1.313 -3.455 -1.773 1.00 0.00 C ATOM 1337 CG ASP A 92 1.858 -4.858 -1.551 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.559 -5.489 -0.557 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.589 -5.206 -2.453 1.00 0.00 O ATOM 0 H ASP A 92 0.585 -3.522 1.227 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.458 -2.152 -1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.007 -3.359 -2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.116 -2.737 -1.609 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.908 -3.793 -2.219 1.00 0.00 N ATOM 1345 CA LEU A 93 -3.051 -4.679 -2.658 1.00 0.00 C ATOM 1346 C LEU A 93 -1.899 -5.298 -3.429 1.00 0.00 C ATOM 1347 O LEU A 93 -1.420 -4.658 -4.360 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.924 -4.441 -3.947 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.388 -4.198 -3.606 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -5.594 -2.762 -4.046 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -6.205 -5.085 -4.497 1.00 0.00 C ATOM 0 H LEU A 93 -1.791 -2.952 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.773 -4.927 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.533 -3.585 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.843 -5.307 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.652 -4.382 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.624 -2.466 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.917 -2.111 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.389 -2.675 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.264 -4.940 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.008 -4.834 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.938 -6.126 -4.317 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.605 -6.426 -2.865 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.539 -7.368 -3.275 1.00 0.00 C ATOM 1365 C ASP A 94 -0.373 -7.563 -4.755 1.00 0.00 C ATOM 1366 O ASP A 94 -1.289 -7.382 -5.532 1.00 0.00 O ATOM 1367 CB ASP A 94 -0.805 -8.722 -2.579 1.00 0.00 C ATOM 1368 CG ASP A 94 0.335 -9.708 -2.752 1.00 0.00 C ATOM 1369 OD1 ASP A 94 1.488 -9.302 -2.734 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -0.062 -10.846 -2.888 1.00 0.00 O ATOM 0 H ASP A 94 -2.119 -6.762 -2.051 1.00 0.00 H new ATOM 0 HA ASP A 94 0.405 -6.921 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.973 -8.551 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.720 -9.158 -2.981 1.00 0.00 H new ATOM 1375 N TRP A 95 0.831 -7.984 -5.045 1.00 0.00 N ATOM 1376 CA TRP A 95 1.382 -8.262 -6.413 1.00 0.00 C ATOM 1377 C TRP A 95 1.255 -7.017 -7.321 1.00 0.00 C ATOM 1378 O TRP A 95 2.244 -6.752 -7.974 1.00 0.00 O ATOM 1379 CB TRP A 95 0.657 -9.510 -7.055 1.00 0.00 C ATOM 1380 CG TRP A 95 1.759 -10.356 -7.785 1.00 0.00 C ATOM 1381 CD1 TRP A 95 2.815 -10.931 -7.126 1.00 0.00 C ATOM 1382 CD2 TRP A 95 1.878 -10.656 -9.110 1.00 0.00 C ATOM 1383 NE1 TRP A 95 3.496 -11.535 -8.082 1.00 0.00 N ATOM 1384 CE2 TRP A 95 3.014 -11.427 -9.306 1.00 0.00 C ATOM 1385 CE3 TRP A 95 1.105 -10.335 -10.211 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 3.372 -11.865 -10.564 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 1.461 -10.771 -11.478 1.00 0.00 C ATOM 1388 CH2 TRP A 95 2.595 -11.537 -11.655 1.00 0.00 C ATOM 0 H TRP A 95 1.519 -8.163 -4.314 1.00 0.00 H new ATOM 0 HA TRP A 95 2.442 -8.496 -6.317 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.160 -10.104 -6.288 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.112 -9.190 -7.758 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.038 -10.898 -6.070 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.350 -12.058 -7.885 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.214 -9.738 -10.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.261 -12.465 -10.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.849 -10.510 -12.329 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.872 -11.877 -12.642 1.00 0.00 H new ATOM 1399 N ASP A 96 0.135 -6.312 -7.376 1.00 0.00 N ATOM 1400 CA ASP A 96 -0.117 -5.090 -8.191 1.00 0.00 C ATOM 1401 C ASP A 96 1.157 -4.723 -8.918 1.00 0.00 C ATOM 1402 O ASP A 96 1.885 -3.857 -8.481 1.00 0.00 O ATOM 1403 CB ASP A 96 -0.591 -3.934 -7.236 1.00 0.00 C ATOM 1404 CG ASP A 96 -0.631 -2.606 -7.997 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -0.695 -2.694 -9.200 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -0.599 -1.568 -7.367 1.00 0.00 O ATOM 0 H ASP A 96 -0.683 -6.577 -6.827 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.898 -5.264 -8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.579 -4.163 -6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.086 -3.854 -6.385 1.00 0.00 H new ATOM 1411 N THR A 97 1.281 -5.493 -9.974 1.00 0.00 N ATOM 1412 CA THR A 97 2.343 -5.588 -11.061 1.00 0.00 C ATOM 1413 C THR A 97 3.456 -4.508 -11.167 1.00 0.00 C ATOM 1414 O THR A 97 4.002 -4.219 -12.212 1.00 0.00 O ATOM 1415 CB THR A 97 1.537 -5.712 -12.420 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.728 -4.552 -12.519 1.00 0.00 O ATOM 1417 CG2 THR A 97 0.398 -6.755 -12.386 1.00 0.00 C ATOM 0 H THR A 97 0.553 -6.184 -10.156 1.00 0.00 H new ATOM 0 HA THR A 97 2.961 -6.445 -10.794 1.00 0.00 H new ATOM 0 HB THR A 97 2.289 -5.920 -13.181 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.210 -4.585 -13.350 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.103 -6.778 -13.354 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.812 -7.739 -12.169 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.320 -6.485 -11.612 1.00 0.00 H new ATOM 1425 N VAL A 98 3.763 -3.985 -10.023 1.00 0.00 N ATOM 1426 CA VAL A 98 4.779 -2.917 -9.732 1.00 0.00 C ATOM 1427 C VAL A 98 6.170 -3.501 -9.428 1.00 0.00 C ATOM 1428 O VAL A 98 7.135 -3.358 -10.150 1.00 0.00 O ATOM 1429 CB VAL A 98 4.246 -2.079 -8.526 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.353 -1.133 -8.000 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.022 -1.209 -8.931 1.00 0.00 C ATOM 0 H VAL A 98 3.294 -4.291 -9.171 1.00 0.00 H new ATOM 0 HA VAL A 98 4.908 -2.288 -10.613 1.00 0.00 H new ATOM 0 HB VAL A 98 3.946 -2.786 -7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.969 -0.555 -7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.210 -1.722 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.661 -0.455 -8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.678 -0.640 -8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.311 -0.522 -9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.218 -1.854 -9.284 1.00 0.00 H new ATOM 1441 N PHE A 99 6.205 -4.162 -8.303 1.00 0.00 N ATOM 1442 CA PHE A 99 7.448 -4.816 -7.793 1.00 0.00 C ATOM 1443 C PHE A 99 8.132 -5.633 -8.912 1.00 0.00 C ATOM 1444 O PHE A 99 9.279 -5.424 -9.244 1.00 0.00 O ATOM 1445 CB PHE A 99 7.033 -5.707 -6.593 1.00 0.00 C ATOM 1446 CG PHE A 99 8.190 -5.715 -5.584 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.295 -6.516 -5.789 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.144 -4.900 -4.462 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.334 -6.502 -4.891 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.189 -4.891 -3.569 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.276 -5.691 -3.784 1.00 0.00 C ATOM 0 H PHE A 99 5.395 -4.280 -7.694 1.00 0.00 H new ATOM 0 HA PHE A 99 8.179 -4.075 -7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.125 -5.322 -6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.814 -6.720 -6.929 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.343 -7.156 -6.658 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.284 -4.270 -4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.198 -7.129 -5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.151 -4.253 -2.699 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.094 -5.685 -3.079 1.00 0.00 H new ATOM 1461 N THR A 100 7.387 -6.538 -9.499 1.00 0.00 N ATOM 1462 CA THR A 100 7.973 -7.401 -10.606 1.00 0.00 C ATOM 1463 C THR A 100 8.410 -6.583 -11.845 1.00 0.00 C ATOM 1464 O THR A 100 8.896 -7.152 -12.808 1.00 0.00 O ATOM 1465 CB THR A 100 6.929 -8.499 -11.089 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.626 -8.336 -12.468 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.537 -8.148 -10.614 1.00 0.00 C ATOM 0 H THR A 100 6.410 -6.725 -9.273 1.00 0.00 H new ATOM 0 HA THR A 100 8.854 -7.871 -10.169 1.00 0.00 H new ATOM 0 HB THR A 100 7.364 -9.445 -10.768 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.984 -9.022 -12.745 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.834 -8.909 -10.953 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.525 -8.102 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.247 -7.179 -11.021 1.00 0.00 H new ATOM 1475 N LYS A 101 8.215 -5.289 -11.793 1.00 0.00 N ATOM 1476 CA LYS A 101 8.580 -4.360 -12.909 1.00 0.00 C ATOM 1477 C LYS A 101 9.716 -3.388 -12.502 1.00 0.00 C ATOM 1478 O LYS A 101 10.650 -3.190 -13.250 1.00 0.00 O ATOM 1479 CB LYS A 101 7.337 -3.545 -13.313 1.00 0.00 C ATOM 1480 CG LYS A 101 6.252 -4.432 -13.939 1.00 0.00 C ATOM 1481 CD LYS A 101 6.637 -4.816 -15.388 1.00 0.00 C ATOM 1482 CE LYS A 101 5.717 -5.943 -15.860 1.00 0.00 C ATOM 1483 NZ LYS A 101 6.569 -7.150 -16.136 1.00 0.00 N ATOM 0 H LYS A 101 7.800 -4.819 -10.988 1.00 0.00 H new ATOM 0 HA LYS A 101 8.936 -4.961 -13.746 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.932 -3.040 -12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.626 -2.769 -14.022 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.120 -5.333 -13.340 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.298 -3.906 -13.937 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.543 -3.952 -16.045 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.678 -5.136 -15.430 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.970 -6.169 -15.099 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.177 -5.644 -16.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.967 -7.934 -16.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.266 -6.922 -16.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.065 -7.431 -15.266 1.00 0.00 H new ATOM 1497 N ILE A 102 9.577 -2.823 -11.331 1.00 0.00 N ATOM 1498 CA ILE A 102 10.590 -1.860 -10.792 1.00 0.00 C ATOM 1499 C ILE A 102 11.742 -2.615 -10.125 1.00 0.00 C ATOM 1500 O ILE A 102 12.780 -2.015 -9.928 1.00 0.00 O ATOM 1501 CB ILE A 102 9.942 -0.898 -9.729 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.609 -1.708 -8.433 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.635 -0.293 -10.306 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.065 -0.796 -7.326 1.00 0.00 C ATOM 0 H ILE A 102 8.786 -2.991 -10.710 1.00 0.00 H new ATOM 0 HA ILE A 102 10.964 -1.274 -11.631 1.00 0.00 H new ATOM 0 HB ILE A 102 10.640 -0.096 -9.491 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.875 -2.480 -8.664 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.506 -2.216 -8.079 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.186 0.373 -9.569 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.863 0.269 -11.212 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.936 -1.095 -10.543 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.844 -1.391 -6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.810 -0.040 -7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.154 -0.308 -7.672 1.00 0.00 H new ATOM 1516 N ASP A 103 11.536 -3.859 -9.788 1.00 0.00 N ATOM 1517 CA ASP A 103 12.612 -4.655 -9.144 1.00 0.00 C ATOM 1518 C ASP A 103 13.240 -5.424 -10.323 1.00 0.00 C ATOM 1519 O ASP A 103 12.549 -6.052 -11.104 1.00 0.00 O ATOM 1520 CB ASP A 103 11.932 -5.566 -8.097 1.00 0.00 C ATOM 1521 CG ASP A 103 12.993 -5.906 -7.064 1.00 0.00 C ATOM 1522 OD1 ASP A 103 13.904 -6.600 -7.491 1.00 0.00 O ATOM 1523 OD2 ASP A 103 12.841 -5.455 -5.937 1.00 0.00 O ATOM 0 H ASP A 103 10.659 -4.360 -9.934 1.00 0.00 H new ATOM 0 HA ASP A 103 13.382 -4.093 -8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.087 -5.058 -7.632 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.543 -6.470 -8.565 1.00 0.00 H new ATOM 1528 N THR A 104 14.536 -5.378 -10.448 1.00 0.00 N ATOM 1529 CA THR A 104 15.215 -6.089 -11.577 1.00 0.00 C ATOM 1530 C THR A 104 15.344 -7.585 -11.379 1.00 0.00 C ATOM 1531 O THR A 104 15.282 -8.327 -12.339 1.00 0.00 O ATOM 1532 CB THR A 104 16.595 -5.419 -11.769 1.00 0.00 C ATOM 1533 OG1 THR A 104 17.053 -4.985 -10.493 1.00 0.00 O ATOM 1534 CG2 THR A 104 16.412 -4.125 -12.477 1.00 0.00 C ATOM 0 H THR A 104 15.161 -4.877 -9.816 1.00 0.00 H new ATOM 0 HA THR A 104 14.599 -5.996 -12.471 1.00 0.00 H new ATOM 0 HB THR A 104 17.251 -6.121 -12.284 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.930 -4.557 -10.588 1.00 0.00 H new ATOM 0 HG21 THR A 104 17.381 -3.646 -12.616 1.00 0.00 H new ATOM 0 HG22 THR A 104 15.953 -4.304 -13.449 1.00 0.00 H new ATOM 0 HG23 THR A 104 15.768 -3.475 -11.886 1.00 0.00 H new ATOM 1542 N ASN A 105 15.520 -8.007 -10.163 1.00 0.00 N ATOM 1543 CA ASN A 105 15.641 -9.486 -9.952 1.00 0.00 C ATOM 1544 C ASN A 105 14.466 -10.048 -9.135 1.00 0.00 C ATOM 1545 O ASN A 105 14.123 -11.204 -9.293 1.00 0.00 O ATOM 1546 CB ASN A 105 17.014 -9.778 -9.257 1.00 0.00 C ATOM 1547 CG ASN A 105 17.258 -8.920 -8.030 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.355 -8.459 -7.369 1.00 0.00 O ATOM 1549 ND2 ASN A 105 18.475 -8.675 -7.665 1.00 0.00 N ATOM 0 H ASN A 105 15.585 -7.424 -9.329 1.00 0.00 H new ATOM 0 HA ASN A 105 15.604 -9.989 -10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.053 -10.829 -8.971 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.819 -9.613 -9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.655 -8.106 -6.838 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.255 -9.051 -8.204 1.00 0.00 H new ATOM 1556 N GLY A 106 13.878 -9.252 -8.288 1.00 0.00 N ATOM 1557 CA GLY A 106 12.728 -9.731 -7.455 1.00 0.00 C ATOM 1558 C GLY A 106 13.231 -9.724 -6.028 1.00 0.00 C ATOM 1559 O GLY A 106 12.551 -9.290 -5.124 1.00 0.00 O ATOM 0 H GLY A 106 14.144 -8.280 -8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.862 -9.078 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.415 -10.731 -7.756 1.00 0.00 H new ATOM 1563 N ILE A 107 14.436 -10.227 -5.904 1.00 0.00 N ATOM 1564 CA ILE A 107 15.173 -10.338 -4.597 1.00 0.00 C ATOM 1565 C ILE A 107 14.693 -9.330 -3.553 1.00 0.00 C ATOM 1566 O ILE A 107 14.481 -9.702 -2.416 1.00 0.00 O ATOM 1567 CB ILE A 107 16.686 -10.132 -4.840 1.00 0.00 C ATOM 1568 CG1 ILE A 107 17.285 -11.230 -5.782 1.00 0.00 C ATOM 1569 CG2 ILE A 107 17.437 -10.119 -3.467 1.00 0.00 C ATOM 1570 CD1 ILE A 107 17.347 -12.617 -5.103 1.00 0.00 C ATOM 0 H ILE A 107 14.968 -10.585 -6.698 1.00 0.00 H new ATOM 0 HA ILE A 107 14.972 -11.334 -4.203 1.00 0.00 H new ATOM 0 HB ILE A 107 16.821 -9.174 -5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 107 16.681 -11.298 -6.687 1.00 0.00 H new ATOM 0 HG13 ILE A 107 18.288 -10.934 -6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 107 18.504 -9.974 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.054 -9.306 -2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 107 17.277 -11.068 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 107 17.770 -13.343 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 107 17.973 -12.559 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 107 16.342 -12.929 -4.819 1.00 0.00 H new ATOM 1582 N GLY A 108 14.544 -8.082 -3.937 1.00 0.00 N ATOM 1583 CA GLY A 108 14.063 -7.052 -2.940 1.00 0.00 C ATOM 1584 C GLY A 108 13.024 -7.645 -1.945 1.00 0.00 C ATOM 1585 O GLY A 108 13.159 -7.599 -0.735 1.00 0.00 O ATOM 0 H GLY A 108 14.729 -7.731 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.915 -6.660 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.617 -6.212 -3.473 1.00 0.00 H new ATOM 1589 N TYR A 109 12.022 -8.224 -2.554 1.00 0.00 N ATOM 1590 CA TYR A 109 10.861 -8.873 -1.850 1.00 0.00 C ATOM 1591 C TYR A 109 11.224 -9.875 -0.710 1.00 0.00 C ATOM 1592 O TYR A 109 10.410 -10.203 0.129 1.00 0.00 O ATOM 1593 CB TYR A 109 10.033 -9.517 -3.007 1.00 0.00 C ATOM 1594 CG TYR A 109 8.664 -10.051 -2.545 1.00 0.00 C ATOM 1595 CD1 TYR A 109 8.563 -11.283 -1.933 1.00 0.00 C ATOM 1596 CD2 TYR A 109 7.508 -9.310 -2.744 1.00 0.00 C ATOM 1597 CE1 TYR A 109 7.335 -11.769 -1.529 1.00 0.00 C ATOM 1598 CE2 TYR A 109 6.277 -9.807 -2.332 1.00 0.00 C ATOM 1599 CZ TYR A 109 6.193 -11.039 -1.725 1.00 0.00 C ATOM 1600 OH TYR A 109 4.995 -11.578 -1.314 1.00 0.00 O ATOM 0 H TYR A 109 11.955 -8.278 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 109 10.298 -8.133 -1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.881 -8.777 -3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.606 -10.334 -3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.452 -11.873 -1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.565 -8.343 -3.221 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.275 -12.736 -1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.382 -9.223 -2.489 1.00 0.00 H new ATOM 0 HH TYR A 109 4.269 -10.951 -1.514 1.00 0.00 H new ATOM 1610 N GLN A 110 12.443 -10.342 -0.698 1.00 0.00 N ATOM 1611 CA GLN A 110 12.942 -11.316 0.335 1.00 0.00 C ATOM 1612 C GLN A 110 13.579 -10.485 1.481 1.00 0.00 C ATOM 1613 O GLN A 110 13.450 -10.813 2.644 1.00 0.00 O ATOM 1614 CB GLN A 110 13.965 -12.249 -0.398 1.00 0.00 C ATOM 1615 CG GLN A 110 14.162 -13.632 0.334 1.00 0.00 C ATOM 1616 CD GLN A 110 14.841 -13.562 1.703 1.00 0.00 C ATOM 1617 OE1 GLN A 110 15.553 -12.536 2.030 1.00 0.00 O flip ATOM 1618 NE2 GLN A 110 14.738 -14.463 2.504 1.00 0.00 N flip ATOM 0 H GLN A 110 13.147 -10.081 -1.388 1.00 0.00 H new ATOM 0 HA GLN A 110 12.165 -11.939 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 110 13.622 -12.428 -1.417 1.00 0.00 H new ATOM 0 HB3 GLN A 110 14.927 -11.741 -0.470 1.00 0.00 H new ATOM 0 HG2 GLN A 110 13.186 -14.101 0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 110 14.751 -14.284 -0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 110 14.182 -15.287 2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 110 15.207 -14.398 3.408 1.00 0.00 H new ATOM 1627 N GLN A 111 14.256 -9.421 1.115 1.00 0.00 N ATOM 1628 CA GLN A 111 14.935 -8.496 2.117 1.00 0.00 C ATOM 1629 C GLN A 111 13.964 -7.975 3.227 1.00 0.00 C ATOM 1630 O GLN A 111 14.363 -7.571 4.307 1.00 0.00 O ATOM 1631 CB GLN A 111 15.532 -7.282 1.343 1.00 0.00 C ATOM 1632 CG GLN A 111 16.701 -7.714 0.386 1.00 0.00 C ATOM 1633 CD GLN A 111 18.030 -8.034 1.082 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.996 -8.391 0.448 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.189 -7.943 2.359 1.00 0.00 N ATOM 0 H GLN A 111 14.376 -9.138 0.142 1.00 0.00 H new ATOM 0 HA GLN A 111 15.712 -9.070 2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.746 -6.800 0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.900 -6.543 2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 111 16.383 -8.592 -0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.871 -6.916 -0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.412 -7.647 2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.092 -8.167 2.778 1.00 0.00 H new ATOM 1644 N GLY A 112 12.702 -7.992 2.877 1.00 0.00 N ATOM 1645 CA GLY A 112 11.606 -7.534 3.805 1.00 0.00 C ATOM 1646 C GLY A 112 10.861 -6.325 3.233 1.00 0.00 C ATOM 1647 O GLY A 112 9.666 -6.176 3.399 1.00 0.00 O ATOM 0 H GLY A 112 12.372 -8.311 1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.904 -8.351 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.032 -7.276 4.775 1.00 0.00 H new ATOM 1651 N HIS A 113 11.638 -5.507 2.576 1.00 0.00 N ATOM 1652 CA HIS A 113 11.123 -4.252 1.935 1.00 0.00 C ATOM 1653 C HIS A 113 11.978 -3.801 0.708 1.00 0.00 C ATOM 1654 O HIS A 113 13.002 -4.375 0.398 1.00 0.00 O ATOM 1655 CB HIS A 113 11.137 -3.203 3.043 1.00 0.00 C ATOM 1656 CG HIS A 113 12.612 -3.042 3.406 1.00 0.00 C ATOM 1657 ND1 HIS A 113 13.407 -2.260 2.768 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.412 -3.629 4.369 1.00 0.00 C ATOM 1659 CE1 HIS A 113 14.598 -2.333 3.265 1.00 0.00 C ATOM 1660 NE2 HIS A 113 14.646 -3.174 4.265 1.00 0.00 N ATOM 0 H HIS A 113 12.639 -5.658 2.451 1.00 0.00 H new ATOM 0 HA HIS A 113 10.124 -4.407 1.527 1.00 0.00 H new ATOM 0 HB2 HIS A 113 10.708 -2.261 2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 113 10.551 -3.527 3.903 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.077 -4.352 5.098 1.00 0.00 H new ATOM 0 HE1 HIS A 113 15.445 -1.771 2.901 1.00 0.00 H new ATOM 0 HE2 HIS A 113 15.454 -3.422 4.835 1.00 0.00 H new ATOM 1668 N LEU A 114 11.540 -2.774 0.034 1.00 0.00 N ATOM 1669 CA LEU A 114 12.299 -2.249 -1.151 1.00 0.00 C ATOM 1670 C LEU A 114 12.591 -0.745 -0.865 1.00 0.00 C ATOM 1671 O LEU A 114 11.690 0.011 -0.555 1.00 0.00 O ATOM 1672 CB LEU A 114 11.397 -2.487 -2.380 1.00 0.00 C ATOM 1673 CG LEU A 114 12.096 -2.035 -3.683 1.00 0.00 C ATOM 1674 CD1 LEU A 114 13.352 -2.878 -3.974 1.00 0.00 C ATOM 1675 CD2 LEU A 114 11.156 -2.199 -4.876 1.00 0.00 C ATOM 0 H LEU A 114 10.682 -2.267 0.251 1.00 0.00 H new ATOM 0 HA LEU A 114 13.255 -2.738 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 114 11.143 -3.545 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.461 -1.942 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 114 12.374 -0.990 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 114 13.817 -2.532 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 114 14.059 -2.774 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 114 13.070 -3.926 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 114 11.663 -1.877 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 114 10.869 -3.246 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 114 10.264 -1.591 -4.723 1.00 0.00 H new ATOM 1687 N ASN A 115 13.826 -0.314 -0.949 1.00 0.00 N ATOM 1688 CA ASN A 115 14.136 1.137 -0.673 1.00 0.00 C ATOM 1689 C ASN A 115 13.783 1.939 -1.948 1.00 0.00 C ATOM 1690 O ASN A 115 14.454 1.888 -2.964 1.00 0.00 O ATOM 1691 CB ASN A 115 15.627 1.217 -0.305 1.00 0.00 C ATOM 1692 CG ASN A 115 15.887 2.611 0.234 1.00 0.00 C ATOM 1693 OD1 ASN A 115 16.404 3.479 -0.427 1.00 0.00 O ATOM 1694 ND2 ASN A 115 15.542 2.917 1.444 1.00 0.00 N ATOM 0 H ASN A 115 14.630 -0.892 -1.194 1.00 0.00 H new ATOM 0 HA ASN A 115 13.560 1.557 0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 115 15.879 0.464 0.441 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.249 1.021 -1.178 1.00 0.00 H new ATOM 0 HD21 ASN A 115 15.711 3.858 1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.102 2.217 2.041 1.00 0.00 H new ATOM 1701 N VAL A 116 12.707 2.675 -1.828 1.00 0.00 N ATOM 1702 CA VAL A 116 12.235 3.482 -3.003 1.00 0.00 C ATOM 1703 C VAL A 116 11.810 4.917 -2.702 1.00 0.00 C ATOM 1704 O VAL A 116 11.792 5.384 -1.576 1.00 0.00 O ATOM 1705 CB VAL A 116 11.030 2.720 -3.673 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.282 1.210 -3.781 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.761 2.900 -2.819 1.00 0.00 C ATOM 0 H VAL A 116 12.140 2.754 -0.984 1.00 0.00 H new ATOM 0 HA VAL A 116 13.099 3.578 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 116 10.914 3.141 -4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.423 0.730 -4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.171 1.032 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.431 0.794 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.930 2.371 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.933 2.496 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.520 3.960 -2.744 1.00 0.00 H new ATOM 1717 N ASN A 117 11.468 5.569 -3.783 1.00 0.00 N ATOM 1718 CA ASN A 117 11.006 6.989 -3.704 1.00 0.00 C ATOM 1719 C ASN A 117 9.582 6.971 -4.253 1.00 0.00 C ATOM 1720 O ASN A 117 9.357 6.441 -5.337 1.00 0.00 O ATOM 1721 CB ASN A 117 11.958 7.815 -4.555 1.00 0.00 C ATOM 1722 CG ASN A 117 13.310 7.486 -4.003 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.695 7.928 -2.939 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.046 6.688 -4.705 1.00 0.00 N ATOM 0 H ASN A 117 11.489 5.177 -4.724 1.00 0.00 H new ATOM 0 HA ASN A 117 11.004 7.420 -2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.882 7.552 -5.610 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.743 8.881 -4.476 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.970 6.418 -4.368 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.703 6.329 -5.596 1.00 0.00 H new ATOM 1731 N TYR A 118 8.675 7.542 -3.497 1.00 0.00 N ATOM 1732 CA TYR A 118 7.276 7.547 -3.972 1.00 0.00 C ATOM 1733 C TYR A 118 6.668 8.936 -3.858 1.00 0.00 C ATOM 1734 O TYR A 118 6.728 9.647 -2.868 1.00 0.00 O ATOM 1735 CB TYR A 118 6.499 6.469 -3.149 1.00 0.00 C ATOM 1736 CG TYR A 118 5.821 6.895 -1.831 1.00 0.00 C ATOM 1737 CD1 TYR A 118 4.814 7.846 -1.810 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.185 6.291 -0.639 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.190 8.170 -0.624 1.00 0.00 C ATOM 1740 CE2 TYR A 118 5.551 6.626 0.542 1.00 0.00 C ATOM 1741 CZ TYR A 118 4.548 7.562 0.545 1.00 0.00 C ATOM 1742 OH TYR A 118 3.876 7.885 1.695 1.00 0.00 O ATOM 0 H TYR A 118 8.845 7.991 -2.597 1.00 0.00 H new ATOM 0 HA TYR A 118 7.219 7.294 -5.031 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.729 6.049 -3.797 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.196 5.663 -2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.517 8.335 -2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.972 5.551 -0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 118 3.408 8.915 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 118 5.846 6.150 1.465 1.00 0.00 H new ATOM 0 HH TYR A 118 3.936 8.851 1.849 1.00 0.00 H new ATOM 1752 N GLN A 119 6.083 9.280 -4.958 1.00 0.00 N ATOM 1753 CA GLN A 119 5.417 10.592 -5.092 1.00 0.00 C ATOM 1754 C GLN A 119 3.990 10.319 -5.573 1.00 0.00 C ATOM 1755 O GLN A 119 3.775 9.477 -6.429 1.00 0.00 O ATOM 1756 CB GLN A 119 6.206 11.457 -6.139 1.00 0.00 C ATOM 1757 CG GLN A 119 7.597 10.817 -6.568 1.00 0.00 C ATOM 1758 CD GLN A 119 8.605 10.698 -5.411 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.547 9.934 -5.443 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.470 11.439 -4.359 1.00 0.00 N ATOM 0 H GLN A 119 6.037 8.693 -5.791 1.00 0.00 H new ATOM 0 HA GLN A 119 5.395 11.138 -4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.588 11.593 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.384 12.447 -5.720 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.418 9.826 -6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.037 11.422 -7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.691 12.094 -4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.142 11.368 -3.595 1.00 0.00 H new ATOM 1769 N PHE A 120 3.038 11.009 -5.009 1.00 0.00 N ATOM 1770 CA PHE A 120 1.632 10.799 -5.454 1.00 0.00 C ATOM 1771 C PHE A 120 1.610 11.449 -6.846 1.00 0.00 C ATOM 1772 O PHE A 120 2.313 12.402 -7.139 1.00 0.00 O ATOM 1773 CB PHE A 120 0.673 11.511 -4.459 1.00 0.00 C ATOM 1774 CG PHE A 120 0.341 10.616 -3.236 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.273 9.762 -2.669 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.926 10.657 -2.678 1.00 0.00 C ATOM 1777 CE1 PHE A 120 0.941 8.976 -1.579 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.253 9.868 -1.584 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.318 9.026 -1.032 1.00 0.00 C ATOM 0 H PHE A 120 3.169 11.700 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 120 1.313 9.757 -5.487 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.129 12.440 -4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.250 11.780 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.270 9.709 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.672 11.314 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.681 8.315 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.247 9.916 -1.165 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.569 8.412 -0.180 1.00 0.00 H new ATOM 1789 N VAL A 121 0.795 10.865 -7.665 1.00 0.00 N ATOM 1790 CA VAL A 121 0.622 11.342 -9.063 1.00 0.00 C ATOM 1791 C VAL A 121 -0.855 11.163 -9.437 1.00 0.00 C ATOM 1792 O VAL A 121 -1.523 10.274 -8.945 1.00 0.00 O ATOM 1793 CB VAL A 121 1.593 10.489 -9.949 1.00 0.00 C ATOM 1794 CG1 VAL A 121 0.852 9.687 -11.037 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.602 11.402 -10.644 1.00 0.00 C ATOM 0 H VAL A 121 0.225 10.055 -7.421 1.00 0.00 H new ATOM 0 HA VAL A 121 0.865 12.395 -9.203 1.00 0.00 H new ATOM 0 HB VAL A 121 2.089 9.788 -9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.572 9.114 -11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.143 9.006 -10.567 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.316 10.373 -11.693 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.273 10.802 -11.258 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.073 12.115 -11.276 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.181 11.942 -9.895 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.341 12.006 -10.292 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.766 11.864 -10.682 1.00 0.00 C ATOM 1807 C ASP A 122 -2.750 10.916 -11.904 1.00 0.00 C ATOM 1808 O ASP A 122 -1.890 11.026 -12.760 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.258 13.310 -10.928 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.374 14.092 -9.587 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -3.183 13.532 -8.517 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.661 15.270 -9.684 1.00 0.00 O ATOM 0 H ASP A 122 -0.830 12.772 -10.731 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.453 11.424 -9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.567 13.825 -11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.227 13.289 -11.427 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.697 10.023 -11.969 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.719 9.079 -13.114 1.00 0.00 C ATOM 1819 C CYS A 123 -4.119 9.750 -14.422 1.00 0.00 C ATOM 1820 O CYS A 123 -3.381 9.787 -15.384 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.707 7.942 -12.777 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.774 7.287 -11.094 1.00 0.00 S ATOM 0 H CYS A 123 -4.447 9.908 -11.287 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.711 8.693 -13.263 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.707 8.293 -13.030 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.484 7.108 -13.443 1.00 0.00 H new ATOM 1827 N ARG A 124 -5.308 10.268 -14.372 1.00 0.00 N ATOM 1828 CA ARG A 124 -5.907 10.965 -15.552 1.00 0.00 C ATOM 1829 C ARG A 124 -5.884 9.972 -16.759 1.00 0.00 C ATOM 1830 O ARG A 124 -5.489 10.341 -17.845 1.00 0.00 O ATOM 1831 CB ARG A 124 -5.039 12.231 -15.772 1.00 0.00 C ATOM 1832 CG ARG A 124 -5.715 13.270 -16.695 1.00 0.00 C ATOM 1833 CD ARG A 124 -4.663 14.343 -16.984 1.00 0.00 C ATOM 1834 NE ARG A 124 -5.309 15.411 -17.820 1.00 0.00 N ATOM 1835 CZ ARG A 124 -5.241 16.655 -17.504 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -4.083 17.171 -17.414 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -6.310 17.312 -17.298 1.00 0.00 N ATOM 0 H ARG A 124 -5.908 10.240 -13.548 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.945 11.268 -15.419 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.827 12.692 -14.807 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -4.081 11.939 -16.202 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.058 12.804 -17.619 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.591 13.705 -16.214 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -4.283 14.765 -16.054 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -3.811 13.911 -17.509 1.00 0.00 H new ATOM 0 HE ARG A 124 -5.816 15.141 -18.663 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -3.256 16.601 -17.590 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.981 18.155 -17.166 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.216 16.852 -17.384 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -6.261 18.299 -17.047 1.00 0.00 H new ATOM 1851 N ASP A 125 -6.306 8.761 -16.486 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.362 7.671 -17.511 1.00 0.00 C ATOM 1853 C ASP A 125 -6.898 8.156 -18.890 1.00 0.00 C ATOM 1854 O ASP A 125 -6.121 8.022 -19.826 1.00 0.00 O ATOM 1855 CB ASP A 125 -7.231 6.541 -16.863 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.312 5.302 -17.757 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.275 4.804 -18.161 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.435 4.887 -17.969 1.00 0.00 O ATOM 1859 OXT ASP A 125 -8.028 8.629 -18.928 1.00 0.00 O ATOM 0 H ASP A 125 -6.625 8.474 -15.561 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.366 7.304 -17.757 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.807 6.265 -15.897 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.236 6.919 -16.674 1.00 0.00 H new