USER MOD reduce.3.24.130724 H: found=0, std=0, add=1213, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1209 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 138 GLN : amide:sc= 0.927 K(o=1.7,f=-0.24) USER MOD Set 1.2: A 142 ASN : amide:sc= 0.763 K(o=1.7,f=-0.81) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -138:sc= 0.997 (180deg=-0.0509) USER MOD Set 2.2: A 112 GLN : amide:sc= -0.0252 K(o=0.97,f=-4.5) USER MOD Set 3.1: A 21 THR OG1 : rot 60:sc= 0.361 USER MOD Set 3.2: A 22 SER OG : rot 180:sc= 0.338 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.464 K(o=0.46,f=-5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.395 K(o=0.4,f=-4.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 2:sc= 0.673 USER MOD Single : A 36 LYS NZ :NH3+ -99:sc= 1.25 (180deg=-0.831) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 69:sc= 0.1 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 127:sc= 0.688 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 1.16 (180deg=1.06) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 120:sc= 0.0323 USER MOD Single : A 67 MET CE :methyl 146:sc= -0.0831 (180deg=-0.317) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 158:sc=-0.00968 (180deg=-0.613) USER MOD Single : A 85 THR OG1 : rot -35:sc= 0.259 USER MOD Single : A 87 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.16) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HE2:sc= -2.66 K(o=-2.7,f=-6.3!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 34:sc= 1.16 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 155:sc= 1.96 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 90:sc=-0.000148 USER MOD Single : A 129 TYR OH : rot -65:sc= 0.013 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 141 GLN : amide:sc= -0.325 K(o=-0.32,f=-4.4!) USER MOD Single : A 144 LYS NZ :NH3+ -138:sc= -0.786 (180deg=-1.45) USER MOD Single : A 147 ASN : amide:sc= -0.417 K(o=-0.42,f=-9.7!) USER MOD Single : A 151 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0198) USER MOD Single : A 154 HIS :FLIP no HD1:sc= -0.347 F(o=-1.2,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.898 -22.862 4.348 1.00 14.31 N ATOM 2 CA GLY A 1 -19.115 -22.736 3.537 1.00 52.45 C ATOM 3 C GLY A 1 -19.346 -21.276 3.213 1.00 12.04 C ATOM 4 O GLY A 1 -18.467 -20.662 2.615 1.00 4.01 O ATOM 0 H1 GLY A 1 -17.734 -23.864 4.574 1.00 14.31 H new ATOM 0 H2 GLY A 1 -17.086 -22.489 3.816 1.00 14.31 H new ATOM 0 H3 GLY A 1 -18.011 -22.322 5.230 1.00 14.31 H new ATOM 0 HA2 GLY A 1 -19.016 -23.314 2.618 1.00 52.45 H new ATOM 0 HA3 GLY A 1 -19.971 -23.141 4.077 1.00 52.45 H new ATOM 8 N ASP A 2 -20.475 -20.714 3.655 1.00 63.13 N ATOM 9 CA ASP A 2 -20.792 -19.281 3.608 1.00 23.13 C ATOM 10 C ASP A 2 -20.802 -18.730 2.182 1.00 44.21 C ATOM 11 O ASP A 2 -20.418 -17.584 1.949 1.00 41.01 O ATOM 12 CB ASP A 2 -19.864 -18.443 4.509 1.00 4.20 C ATOM 13 CG ASP A 2 -19.557 -19.040 5.872 1.00 21.52 C ATOM 14 OD1 ASP A 2 -20.476 -19.578 6.539 1.00 62.25 O ATOM 15 OD2 ASP A 2 -18.362 -19.012 6.237 1.00 62.51 O ATOM 0 H ASP A 2 -21.224 -21.266 4.072 1.00 63.13 H new ATOM 0 HA ASP A 2 -21.804 -19.192 4.002 1.00 23.13 H new ATOM 0 HB2 ASP A 2 -18.923 -18.283 3.982 1.00 4.20 H new ATOM 0 HB3 ASP A 2 -20.318 -17.463 4.656 1.00 4.20 H new ATOM 20 N SER A 3 -21.207 -19.532 1.197 1.00 14.44 N ATOM 21 CA SER A 3 -21.454 -18.986 -0.124 1.00 41.13 C ATOM 22 C SER A 3 -22.585 -17.976 -0.063 1.00 53.34 C ATOM 23 O SER A 3 -23.598 -18.232 0.589 1.00 51.04 O ATOM 24 CB SER A 3 -21.902 -20.055 -1.103 1.00 12.21 C ATOM 25 OG SER A 3 -20.850 -20.967 -1.392 1.00 45.24 O ATOM 0 H SER A 3 -21.366 -20.535 1.290 1.00 14.44 H new ATOM 0 HA SER A 3 -20.516 -18.538 -0.453 1.00 41.13 H new ATOM 0 HB2 SER A 3 -22.752 -20.597 -0.688 1.00 12.21 H new ATOM 0 HB3 SER A 3 -22.243 -19.586 -2.026 1.00 12.21 H new ATOM 0 HG SER A 3 -21.169 -21.645 -2.024 1.00 45.24 H new ATOM 31 N GLU A 4 -22.485 -16.947 -0.895 1.00 52.12 N ATOM 32 CA GLU A 4 -23.585 -16.059 -1.212 1.00 5.11 C ATOM 33 C GLU A 4 -23.803 -16.069 -2.724 1.00 30.50 C ATOM 34 O GLU A 4 -22.850 -16.228 -3.494 1.00 41.31 O ATOM 35 CB GLU A 4 -23.264 -14.635 -0.700 1.00 23.21 C ATOM 36 CG GLU A 4 -24.340 -14.066 0.233 1.00 42.02 C ATOM 37 CD GLU A 4 -24.368 -14.744 1.607 1.00 10.31 C ATOM 38 OE1 GLU A 4 -23.366 -14.663 2.355 1.00 25.21 O ATOM 39 OE2 GLU A 4 -25.449 -15.247 1.981 1.00 33.54 O ATOM 0 H GLU A 4 -21.618 -16.706 -1.375 1.00 52.12 H new ATOM 0 HA GLU A 4 -24.500 -16.393 -0.723 1.00 5.11 H new ATOM 0 HB2 GLU A 4 -22.310 -14.653 -0.174 1.00 23.21 H new ATOM 0 HB3 GLU A 4 -23.145 -13.968 -1.554 1.00 23.21 H new ATOM 0 HG2 GLU A 4 -24.169 -12.998 0.366 1.00 42.02 H new ATOM 0 HG3 GLU A 4 -25.316 -14.176 -0.239 1.00 42.02 H new ATOM 46 N LEU A 5 -25.043 -15.902 -3.191 1.00 32.54 N ATOM 47 CA LEU A 5 -25.267 -15.505 -4.579 1.00 54.31 C ATOM 48 C LEU A 5 -24.912 -14.021 -4.688 1.00 33.20 C ATOM 49 O LEU A 5 -24.991 -13.299 -3.690 1.00 14.14 O ATOM 50 CB LEU A 5 -26.729 -15.736 -4.999 1.00 32.34 C ATOM 51 CG LEU A 5 -26.852 -15.992 -6.516 1.00 10.12 C ATOM 52 CD1 LEU A 5 -26.581 -17.469 -6.830 1.00 72.32 C ATOM 53 CD2 LEU A 5 -28.239 -15.609 -7.037 1.00 12.30 C ATOM 0 H LEU A 5 -25.891 -16.033 -2.639 1.00 32.54 H new ATOM 0 HA LEU A 5 -24.647 -16.107 -5.244 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -27.135 -16.587 -4.452 1.00 32.34 H new ATOM 0 HB3 LEU A 5 -27.328 -14.867 -4.727 1.00 32.34 H new ATOM 0 HG LEU A 5 -26.110 -15.368 -7.015 1.00 10.12 H new ATOM 0 HD11 LEU A 5 -26.671 -17.635 -7.903 1.00 72.32 H new ATOM 0 HD12 LEU A 5 -25.574 -17.731 -6.506 1.00 72.32 H new ATOM 0 HD13 LEU A 5 -27.305 -18.092 -6.304 1.00 72.32 H new ATOM 0 HD21 LEU A 5 -28.291 -15.802 -8.109 1.00 12.30 H new ATOM 0 HD22 LEU A 5 -28.997 -16.202 -6.524 1.00 12.30 H new ATOM 0 HD23 LEU A 5 -28.418 -14.550 -6.850 1.00 12.30 H new ATOM 65 N THR A 6 -24.553 -13.539 -5.872 1.00 4.11 N ATOM 66 CA THR A 6 -24.248 -12.131 -6.079 1.00 54.35 C ATOM 67 C THR A 6 -24.801 -11.643 -7.417 1.00 23.43 C ATOM 68 O THR A 6 -24.906 -12.414 -8.378 1.00 72.24 O ATOM 69 CB THR A 6 -22.731 -11.898 -5.973 1.00 74.14 C ATOM 70 OG1 THR A 6 -22.047 -12.702 -6.916 1.00 73.33 O ATOM 71 CG2 THR A 6 -22.130 -12.186 -4.596 1.00 65.35 C ATOM 0 H THR A 6 -24.466 -14.112 -6.712 1.00 4.11 H new ATOM 0 HA THR A 6 -24.735 -11.547 -5.298 1.00 54.35 H new ATOM 0 HB THR A 6 -22.602 -10.833 -6.167 1.00 74.14 H new ATOM 0 HG1 THR A 6 -21.083 -12.545 -6.841 1.00 73.33 H new ATOM 0 HG21 THR A 6 -21.057 -11.993 -4.620 1.00 65.35 H new ATOM 0 HG22 THR A 6 -22.598 -11.541 -3.852 1.00 65.35 H new ATOM 0 HG23 THR A 6 -22.305 -13.229 -4.333 1.00 65.35 H new ATOM 79 N THR A 7 -25.110 -10.350 -7.458 1.00 53.45 N ATOM 80 CA THR A 7 -25.446 -9.530 -8.610 1.00 14.41 C ATOM 81 C THR A 7 -25.534 -8.105 -8.044 1.00 72.55 C ATOM 82 O THR A 7 -26.329 -7.842 -7.135 1.00 45.41 O ATOM 83 CB THR A 7 -26.735 -10.026 -9.308 1.00 12.23 C ATOM 84 OG1 THR A 7 -27.183 -9.090 -10.277 1.00 44.13 O ATOM 85 CG2 THR A 7 -27.898 -10.347 -8.355 1.00 30.14 C ATOM 0 H THR A 7 -25.132 -9.800 -6.599 1.00 53.45 H new ATOM 0 HA THR A 7 -24.705 -9.578 -9.408 1.00 14.41 H new ATOM 0 HB THR A 7 -26.444 -10.964 -9.781 1.00 12.23 H new ATOM 0 HG1 THR A 7 -27.998 -9.427 -10.705 1.00 44.13 H new ATOM 0 HG21 THR A 7 -28.758 -10.687 -8.932 1.00 30.14 H new ATOM 0 HG22 THR A 7 -27.594 -11.131 -7.661 1.00 30.14 H new ATOM 0 HG23 THR A 7 -28.168 -9.451 -7.795 1.00 30.14 H new ATOM 93 N GLN A 8 -24.641 -7.216 -8.482 1.00 64.24 N ATOM 94 CA GLN A 8 -24.622 -5.811 -8.093 1.00 31.44 C ATOM 95 C GLN A 8 -23.737 -5.044 -9.070 1.00 21.32 C ATOM 96 O GLN A 8 -23.074 -5.634 -9.931 1.00 71.41 O ATOM 97 CB GLN A 8 -24.160 -5.669 -6.619 1.00 14.31 C ATOM 98 CG GLN A 8 -25.282 -5.100 -5.723 1.00 25.51 C ATOM 99 CD GLN A 8 -25.195 -3.592 -5.467 1.00 3.00 C ATOM 100 OE1 GLN A 8 -24.604 -2.821 -6.231 1.00 10.23 O ATOM 101 NE2 GLN A 8 -25.791 -3.136 -4.376 1.00 53.31 N ATOM 0 H GLN A 8 -23.895 -7.462 -9.132 1.00 64.24 H new ATOM 0 HA GLN A 8 -25.623 -5.384 -8.143 1.00 31.44 H new ATOM 0 HB2 GLN A 8 -23.849 -6.642 -6.239 1.00 14.31 H new ATOM 0 HB3 GLN A 8 -23.289 -5.015 -6.572 1.00 14.31 H new ATOM 0 HG2 GLN A 8 -26.244 -5.321 -6.185 1.00 25.51 H new ATOM 0 HG3 GLN A 8 -25.261 -5.619 -4.765 1.00 25.51 H new ATOM 0 HE21 GLN A 8 -26.276 -3.781 -3.752 1.00 53.31 H new ATOM 0 HE22 GLN A 8 -25.765 -2.140 -4.159 1.00 53.31 H new ATOM 110 N ASP A 9 -23.674 -3.729 -8.915 1.00 3.54 N ATOM 111 CA ASP A 9 -22.971 -2.827 -9.825 1.00 32.44 C ATOM 112 C ASP A 9 -21.567 -2.477 -9.316 1.00 63.11 C ATOM 113 O ASP A 9 -20.984 -1.481 -9.744 1.00 4.22 O ATOM 114 CB ASP A 9 -23.854 -1.600 -10.110 1.00 1.40 C ATOM 115 CG ASP A 9 -25.059 -1.929 -10.993 1.00 71.31 C ATOM 116 OD1 ASP A 9 -24.896 -2.684 -11.979 1.00 54.11 O ATOM 117 OD2 ASP A 9 -26.171 -1.402 -10.767 1.00 41.55 O ATOM 0 H ASP A 9 -24.120 -3.245 -8.135 1.00 3.54 H new ATOM 0 HA ASP A 9 -22.798 -3.332 -10.775 1.00 32.44 H new ATOM 0 HB2 ASP A 9 -24.204 -1.183 -9.166 1.00 1.40 H new ATOM 0 HB3 ASP A 9 -23.253 -0.831 -10.595 1.00 1.40 H new ATOM 122 N GLY A 10 -21.015 -3.295 -8.422 1.00 61.02 N ATOM 123 CA GLY A 10 -19.741 -3.172 -7.767 1.00 31.13 C ATOM 124 C GLY A 10 -19.983 -3.357 -6.271 1.00 3.14 C ATOM 125 O GLY A 10 -21.082 -3.099 -5.762 1.00 5.10 O ATOM 0 H GLY A 10 -21.506 -4.136 -8.119 1.00 61.02 H new ATOM 0 HA2 GLY A 10 -19.043 -3.922 -8.139 1.00 31.13 H new ATOM 0 HA3 GLY A 10 -19.298 -2.196 -7.967 1.00 31.13 H new ATOM 129 N GLU A 11 -18.960 -3.798 -5.546 1.00 5.20 N ATOM 130 CA GLU A 11 -18.964 -3.809 -4.103 1.00 1.13 C ATOM 131 C GLU A 11 -19.089 -2.367 -3.617 1.00 44.42 C ATOM 132 O GLU A 11 -18.613 -1.428 -4.274 1.00 25.34 O ATOM 133 CB GLU A 11 -17.629 -4.380 -3.606 1.00 63.11 C ATOM 134 CG GLU A 11 -17.701 -5.118 -2.287 1.00 71.21 C ATOM 135 CD GLU A 11 -18.441 -6.442 -2.284 1.00 62.24 C ATOM 136 OE1 GLU A 11 -18.590 -7.032 -3.368 1.00 65.54 O ATOM 137 OE2 GLU A 11 -18.885 -6.881 -1.200 1.00 13.11 O ATOM 0 H GLU A 11 -18.099 -4.160 -5.957 1.00 5.20 H new ATOM 0 HA GLU A 11 -19.790 -4.415 -3.729 1.00 1.13 H new ATOM 0 HB2 GLU A 11 -17.236 -5.058 -4.364 1.00 63.11 H new ATOM 0 HB3 GLU A 11 -16.915 -3.562 -3.509 1.00 63.11 H new ATOM 0 HG2 GLU A 11 -16.683 -5.297 -1.942 1.00 71.21 H new ATOM 0 HG3 GLU A 11 -18.175 -4.462 -1.556 1.00 71.21 H new ATOM 144 N ASP A 12 -19.625 -2.194 -2.415 1.00 43.04 N ATOM 145 CA ASP A 12 -19.636 -0.911 -1.732 1.00 65.51 C ATOM 146 C ASP A 12 -18.190 -0.492 -1.457 1.00 63.32 C ATOM 147 O ASP A 12 -17.352 -1.326 -1.086 1.00 62.32 O ATOM 148 CB ASP A 12 -20.364 -1.073 -0.396 1.00 11.00 C ATOM 149 CG ASP A 12 -20.779 0.244 0.254 1.00 4.33 C ATOM 150 OD1 ASP A 12 -20.231 1.301 -0.121 1.00 73.31 O ATOM 151 OD2 ASP A 12 -21.618 0.176 1.175 1.00 33.32 O ATOM 0 H ASP A 12 -20.066 -2.946 -1.885 1.00 43.04 H new ATOM 0 HA ASP A 12 -20.136 -0.161 -2.344 1.00 65.51 H new ATOM 0 HB2 ASP A 12 -21.253 -1.685 -0.551 1.00 11.00 H new ATOM 0 HB3 ASP A 12 -19.719 -1.618 0.293 1.00 11.00 H new ATOM 156 N PHE A 13 -17.913 0.805 -1.562 1.00 45.22 N ATOM 157 CA PHE A 13 -16.652 1.382 -1.137 1.00 65.21 C ATOM 158 C PHE A 13 -16.422 1.086 0.350 1.00 65.32 C ATOM 159 O PHE A 13 -15.326 0.710 0.762 1.00 3.41 O ATOM 160 CB PHE A 13 -16.608 2.883 -1.459 1.00 34.23 C ATOM 161 CG PHE A 13 -17.738 3.702 -0.859 1.00 44.13 C ATOM 162 CD1 PHE A 13 -18.949 3.856 -1.563 1.00 5.01 C ATOM 163 CD2 PHE A 13 -17.593 4.284 0.415 1.00 14.02 C ATOM 164 CE1 PHE A 13 -20.024 4.540 -0.971 1.00 24.33 C ATOM 165 CE2 PHE A 13 -18.673 4.963 1.006 1.00 3.13 C ATOM 166 CZ PHE A 13 -19.894 5.070 0.323 1.00 33.41 C ATOM 0 H PHE A 13 -18.566 1.486 -1.948 1.00 45.22 H new ATOM 0 HA PHE A 13 -15.833 0.924 -1.691 1.00 65.21 H new ATOM 0 HB2 PHE A 13 -15.659 3.287 -1.106 1.00 34.23 H new ATOM 0 HB3 PHE A 13 -16.624 3.008 -2.542 1.00 34.23 H new ATOM 0 HD1 PHE A 13 -19.051 3.448 -2.558 1.00 5.01 H new ATOM 0 HD2 PHE A 13 -16.651 4.209 0.939 1.00 14.02 H new ATOM 0 HE1 PHE A 13 -20.951 4.658 -1.512 1.00 24.33 H new ATOM 0 HE2 PHE A 13 -18.563 5.403 1.986 1.00 3.13 H new ATOM 0 HZ PHE A 13 -20.734 5.560 0.793 1.00 33.41 H new ATOM 176 N LYS A 14 -17.460 1.201 1.179 1.00 42.21 N ATOM 177 CA LYS A 14 -17.328 0.960 2.607 1.00 12.30 C ATOM 178 C LYS A 14 -17.130 -0.520 2.897 1.00 34.24 C ATOM 179 O LYS A 14 -16.323 -0.816 3.774 1.00 70.34 O ATOM 180 CB LYS A 14 -18.531 1.548 3.366 1.00 3.22 C ATOM 181 CG LYS A 14 -18.133 2.785 4.187 1.00 30.30 C ATOM 182 CD LYS A 14 -17.172 2.434 5.334 1.00 71.33 C ATOM 183 CE LYS A 14 -17.109 3.586 6.338 1.00 1.02 C ATOM 184 NZ LYS A 14 -16.364 3.212 7.559 1.00 32.50 N ATOM 0 H LYS A 14 -18.400 1.460 0.881 1.00 42.21 H new ATOM 0 HA LYS A 14 -16.435 1.472 2.966 1.00 12.30 H new ATOM 0 HB2 LYS A 14 -19.313 1.818 2.656 1.00 3.22 H new ATOM 0 HB3 LYS A 14 -18.950 0.790 4.028 1.00 3.22 H new ATOM 0 HG2 LYS A 14 -17.662 3.518 3.532 1.00 30.30 H new ATOM 0 HG3 LYS A 14 -19.029 3.252 4.596 1.00 30.30 H new ATOM 0 HD2 LYS A 14 -17.506 1.524 5.833 1.00 71.33 H new ATOM 0 HD3 LYS A 14 -16.177 2.233 4.937 1.00 71.33 H new ATOM 0 HE2 LYS A 14 -16.633 4.448 5.872 1.00 1.02 H new ATOM 0 HE3 LYS A 14 -18.121 3.888 6.608 1.00 1.02 H new ATOM 0 HZ1 LYS A 14 -16.344 4.019 8.214 1.00 32.50 H new ATOM 0 HZ2 LYS A 14 -16.833 2.405 8.018 1.00 32.50 H new ATOM 0 HZ3 LYS A 14 -15.391 2.948 7.305 1.00 32.50 H new ATOM 198 N SER A 15 -17.782 -1.426 2.157 1.00 65.21 N ATOM 199 CA SER A 15 -17.636 -2.862 2.369 1.00 43.01 C ATOM 200 C SER A 15 -16.168 -3.243 2.247 1.00 5.02 C ATOM 201 O SER A 15 -15.638 -3.921 3.135 1.00 4.41 O ATOM 202 CB SER A 15 -18.462 -3.694 1.376 1.00 53.23 C ATOM 203 OG SER A 15 -18.660 -4.987 1.897 1.00 11.22 O ATOM 0 H SER A 15 -18.421 -1.181 1.400 1.00 65.21 H new ATOM 0 HA SER A 15 -18.011 -3.083 3.368 1.00 43.01 H new ATOM 0 HB2 SER A 15 -19.423 -3.213 1.193 1.00 53.23 H new ATOM 0 HB3 SER A 15 -17.947 -3.752 0.417 1.00 53.23 H new ATOM 0 HG SER A 15 -19.188 -5.517 1.264 1.00 11.22 H new ATOM 209 N PHE A 16 -15.508 -2.826 1.154 1.00 64.31 N ATOM 210 CA PHE A 16 -14.115 -3.202 0.973 1.00 32.23 C ATOM 211 C PHE A 16 -13.273 -2.602 2.094 1.00 32.13 C ATOM 212 O PHE A 16 -12.383 -3.294 2.590 1.00 11.14 O ATOM 213 CB PHE A 16 -13.570 -2.850 -0.423 1.00 21.51 C ATOM 214 CG PHE A 16 -13.057 -1.434 -0.624 1.00 65.32 C ATOM 215 CD1 PHE A 16 -11.864 -0.995 -0.013 1.00 25.43 C ATOM 216 CD2 PHE A 16 -13.768 -0.550 -1.447 1.00 41.03 C ATOM 217 CE1 PHE A 16 -11.429 0.327 -0.183 1.00 14.42 C ATOM 218 CE2 PHE A 16 -13.288 0.753 -1.676 1.00 24.13 C ATOM 219 CZ PHE A 16 -12.126 1.197 -1.031 1.00 52.21 C ATOM 0 H PHE A 16 -15.907 -2.250 0.413 1.00 64.31 H new ATOM 0 HA PHE A 16 -14.051 -4.289 1.031 1.00 32.23 H new ATOM 0 HB2 PHE A 16 -12.759 -3.541 -0.655 1.00 21.51 H new ATOM 0 HB3 PHE A 16 -14.361 -3.031 -1.151 1.00 21.51 H new ATOM 0 HD1 PHE A 16 -11.284 -1.679 0.588 1.00 25.43 H new ATOM 0 HD2 PHE A 16 -14.690 -0.871 -1.908 1.00 41.03 H new ATOM 0 HE1 PHE A 16 -10.552 0.676 0.342 1.00 14.42 H new ATOM 0 HE2 PHE A 16 -13.816 1.412 -2.350 1.00 24.13 H new ATOM 0 HZ PHE A 16 -11.770 2.205 -1.187 1.00 52.21 H new ATOM 229 N LEU A 17 -13.536 -1.340 2.476 1.00 71.33 N ATOM 230 CA LEU A 17 -12.701 -0.597 3.419 1.00 33.30 C ATOM 231 C LEU A 17 -12.667 -1.323 4.755 1.00 62.55 C ATOM 232 O LEU A 17 -11.602 -1.548 5.326 1.00 33.23 O ATOM 233 CB LEU A 17 -13.249 0.834 3.587 1.00 51.41 C ATOM 234 CG LEU A 17 -12.252 1.932 4.014 1.00 71.14 C ATOM 235 CD1 LEU A 17 -11.497 1.648 5.310 1.00 5.00 C ATOM 236 CD2 LEU A 17 -11.248 2.243 2.909 1.00 44.22 C ATOM 0 H LEU A 17 -14.338 -0.810 2.135 1.00 71.33 H new ATOM 0 HA LEU A 17 -11.683 -0.533 3.033 1.00 33.30 H new ATOM 0 HB2 LEU A 17 -13.697 1.136 2.640 1.00 51.41 H new ATOM 0 HB3 LEU A 17 -14.051 0.803 4.324 1.00 51.41 H new ATOM 0 HG LEU A 17 -12.885 2.798 4.204 1.00 71.14 H new ATOM 0 HD11 LEU A 17 -10.821 2.476 5.526 1.00 5.00 H new ATOM 0 HD12 LEU A 17 -12.208 1.537 6.128 1.00 5.00 H new ATOM 0 HD13 LEU A 17 -10.921 0.729 5.202 1.00 5.00 H new ATOM 0 HD21 LEU A 17 -10.563 3.021 3.248 1.00 44.22 H new ATOM 0 HD22 LEU A 17 -10.683 1.343 2.667 1.00 44.22 H new ATOM 0 HD23 LEU A 17 -11.779 2.588 2.022 1.00 44.22 H new ATOM 248 N ASP A 18 -13.843 -1.753 5.200 1.00 71.21 N ATOM 249 CA ASP A 18 -14.079 -2.449 6.453 1.00 32.42 C ATOM 250 C ASP A 18 -13.115 -3.625 6.603 1.00 51.11 C ATOM 251 O ASP A 18 -12.284 -3.632 7.506 1.00 64.23 O ATOM 252 CB ASP A 18 -15.549 -2.884 6.493 1.00 51.13 C ATOM 253 CG ASP A 18 -16.185 -2.715 7.865 1.00 42.04 C ATOM 254 OD1 ASP A 18 -16.556 -1.563 8.217 1.00 64.52 O ATOM 255 OD2 ASP A 18 -16.479 -3.746 8.505 1.00 73.32 O ATOM 0 H ASP A 18 -14.701 -1.616 4.665 1.00 71.21 H new ATOM 0 HA ASP A 18 -13.889 -1.790 7.300 1.00 32.42 H new ATOM 0 HB2 ASP A 18 -16.113 -2.303 5.764 1.00 51.13 H new ATOM 0 HB3 ASP A 18 -15.621 -3.929 6.192 1.00 51.13 H new ATOM 260 N LYS A 19 -13.156 -4.598 5.685 1.00 61.44 N ATOM 261 CA LYS A 19 -12.233 -5.717 5.704 1.00 33.34 C ATOM 262 C LYS A 19 -10.803 -5.316 5.357 1.00 63.43 C ATOM 263 O LYS A 19 -9.878 -6.014 5.763 1.00 13.41 O ATOM 264 CB LYS A 19 -12.721 -6.739 4.687 1.00 3.34 C ATOM 265 CG LYS A 19 -13.761 -7.716 5.221 1.00 50.35 C ATOM 266 CD LYS A 19 -15.064 -7.210 5.850 1.00 41.03 C ATOM 267 CE LYS A 19 -15.824 -8.466 6.316 1.00 51.01 C ATOM 268 NZ LYS A 19 -17.287 -8.279 6.374 1.00 4.32 N ATOM 0 H LYS A 19 -13.828 -4.624 4.918 1.00 61.44 H new ATOM 0 HA LYS A 19 -12.212 -6.121 6.716 1.00 33.34 H new ATOM 0 HB2 LYS A 19 -13.143 -6.210 3.833 1.00 3.34 H new ATOM 0 HB3 LYS A 19 -11.865 -7.305 4.320 1.00 3.34 H new ATOM 0 HG2 LYS A 19 -14.038 -8.372 4.396 1.00 50.35 H new ATOM 0 HG3 LYS A 19 -13.264 -8.336 5.968 1.00 50.35 H new ATOM 0 HD2 LYS A 19 -14.860 -6.544 6.688 1.00 41.03 H new ATOM 0 HD3 LYS A 19 -15.652 -6.643 5.128 1.00 41.03 H new ATOM 0 HE2 LYS A 19 -15.597 -9.290 5.640 1.00 51.01 H new ATOM 0 HE3 LYS A 19 -15.463 -8.755 7.303 1.00 51.01 H new ATOM 0 HZ1 LYS A 19 -17.737 -9.160 6.694 1.00 4.32 H new ATOM 0 HZ2 LYS A 19 -17.513 -7.513 7.040 1.00 4.32 H new ATOM 0 HZ3 LYS A 19 -17.643 -8.032 5.429 1.00 4.32 H new ATOM 282 N PHE A 20 -10.583 -4.258 4.580 1.00 4.10 N ATOM 283 CA PHE A 20 -9.237 -3.876 4.175 1.00 10.20 C ATOM 284 C PHE A 20 -8.405 -3.455 5.392 1.00 14.04 C ATOM 285 O PHE A 20 -7.229 -3.824 5.459 1.00 32.41 O ATOM 286 CB PHE A 20 -9.299 -2.792 3.090 1.00 70.43 C ATOM 287 CG PHE A 20 -8.009 -2.027 2.907 1.00 1.10 C ATOM 288 CD1 PHE A 20 -6.897 -2.633 2.290 1.00 22.14 C ATOM 289 CD2 PHE A 20 -7.912 -0.710 3.394 1.00 25.11 C ATOM 290 CE1 PHE A 20 -5.679 -1.937 2.194 1.00 1.24 C ATOM 291 CE2 PHE A 20 -6.702 -0.010 3.280 1.00 23.50 C ATOM 292 CZ PHE A 20 -5.581 -0.629 2.699 1.00 13.24 C ATOM 0 H PHE A 20 -11.320 -3.652 4.220 1.00 4.10 H new ATOM 0 HA PHE A 20 -8.732 -4.737 3.738 1.00 10.20 H new ATOM 0 HB2 PHE A 20 -9.571 -3.257 2.142 1.00 70.43 H new ATOM 0 HB3 PHE A 20 -10.094 -2.089 3.339 1.00 70.43 H new ATOM 0 HD1 PHE A 20 -6.980 -3.633 1.890 1.00 22.14 H new ATOM 0 HD2 PHE A 20 -8.768 -0.239 3.855 1.00 25.11 H new ATOM 0 HE1 PHE A 20 -4.822 -2.406 1.734 1.00 1.24 H new ATOM 0 HE2 PHE A 20 -6.631 1.006 3.639 1.00 23.50 H new ATOM 0 HZ PHE A 20 -4.642 -0.098 2.641 1.00 13.24 H new ATOM 302 N THR A 21 -8.987 -2.728 6.356 1.00 3.22 N ATOM 303 CA THR A 21 -8.240 -2.371 7.566 1.00 2.13 C ATOM 304 C THR A 21 -8.249 -3.484 8.618 1.00 23.24 C ATOM 305 O THR A 21 -7.435 -3.445 9.536 1.00 61.23 O ATOM 306 CB THR A 21 -8.765 -1.057 8.160 1.00 71.55 C ATOM 307 OG1 THR A 21 -10.173 -1.062 8.366 1.00 2.04 O ATOM 308 CG2 THR A 21 -8.419 0.124 7.245 1.00 64.41 C ATOM 0 H THR A 21 -9.947 -2.384 6.324 1.00 3.22 H new ATOM 0 HA THR A 21 -7.202 -2.233 7.265 1.00 2.13 H new ATOM 0 HB THR A 21 -8.278 -0.953 9.129 1.00 71.55 H new ATOM 0 HG1 THR A 21 -10.411 -1.787 8.981 1.00 2.04 H new ATOM 0 HG21 THR A 21 -8.799 1.047 7.683 1.00 64.41 H new ATOM 0 HG22 THR A 21 -7.337 0.194 7.134 1.00 64.41 H new ATOM 0 HG23 THR A 21 -8.875 -0.028 6.267 1.00 64.41 H new ATOM 316 N SER A 22 -9.167 -4.450 8.515 1.00 45.42 N ATOM 317 CA SER A 22 -9.582 -5.266 9.651 1.00 25.53 C ATOM 318 C SER A 22 -9.651 -6.757 9.281 1.00 10.40 C ATOM 319 O SER A 22 -10.456 -7.492 9.861 1.00 74.52 O ATOM 320 CB SER A 22 -10.930 -4.723 10.165 1.00 21.34 C ATOM 321 OG SER A 22 -10.956 -3.302 10.280 1.00 1.34 O ATOM 0 H SER A 22 -9.640 -4.685 7.642 1.00 45.42 H new ATOM 0 HA SER A 22 -8.843 -5.198 10.449 1.00 25.53 H new ATOM 0 HB2 SER A 22 -11.724 -5.041 9.489 1.00 21.34 H new ATOM 0 HB3 SER A 22 -11.145 -5.164 11.139 1.00 21.34 H new ATOM 0 HG SER A 22 -11.834 -3.016 10.608 1.00 1.34 H new ATOM 327 N SER A 23 -8.902 -7.190 8.259 1.00 53.31 N ATOM 328 CA SER A 23 -8.852 -8.559 7.766 1.00 23.20 C ATOM 329 C SER A 23 -7.512 -8.781 7.044 1.00 21.21 C ATOM 330 O SER A 23 -7.446 -8.733 5.813 1.00 45.43 O ATOM 331 CB SER A 23 -10.080 -8.830 6.877 1.00 44.31 C ATOM 332 OG SER A 23 -10.646 -10.097 7.134 1.00 12.11 O ATOM 0 H SER A 23 -8.291 -6.564 7.735 1.00 53.31 H new ATOM 0 HA SER A 23 -8.898 -9.276 8.585 1.00 23.20 H new ATOM 0 HB2 SER A 23 -10.829 -8.057 7.047 1.00 44.31 H new ATOM 0 HB3 SER A 23 -9.790 -8.768 5.828 1.00 44.31 H new ATOM 0 HG SER A 23 -11.423 -10.232 6.552 1.00 12.11 H new ATOM 338 N ALA A 24 -6.433 -9.015 7.798 1.00 22.31 N ATOM 339 CA ALA A 24 -5.085 -9.277 7.281 1.00 22.40 C ATOM 340 C ALA A 24 -5.118 -10.392 6.228 1.00 25.31 C ATOM 341 O ALA A 24 -4.670 -10.204 5.094 1.00 10.23 O ATOM 342 CB ALA A 24 -4.146 -9.631 8.442 1.00 14.02 C ATOM 0 H ALA A 24 -6.475 -9.028 8.817 1.00 22.31 H new ATOM 0 HA ALA A 24 -4.706 -8.379 6.794 1.00 22.40 H new ATOM 0 HB1 ALA A 24 -3.146 -9.825 8.055 1.00 14.02 H new ATOM 0 HB2 ALA A 24 -4.108 -8.799 9.146 1.00 14.02 H new ATOM 0 HB3 ALA A 24 -4.517 -10.520 8.951 1.00 14.02 H new ATOM 348 N ALA A 25 -5.693 -11.550 6.566 1.00 3.11 N ATOM 349 CA ALA A 25 -5.763 -12.705 5.679 1.00 65.52 C ATOM 350 C ALA A 25 -6.544 -12.417 4.390 1.00 25.54 C ATOM 351 O ALA A 25 -6.291 -13.065 3.374 1.00 14.20 O ATOM 352 CB ALA A 25 -6.387 -13.891 6.421 1.00 32.53 C ATOM 0 H ALA A 25 -6.127 -11.709 7.475 1.00 3.11 H new ATOM 0 HA ALA A 25 -4.742 -12.947 5.382 1.00 65.52 H new ATOM 0 HB1 ALA A 25 -6.437 -14.752 5.754 1.00 32.53 H new ATOM 0 HB2 ALA A 25 -5.776 -14.139 7.289 1.00 32.53 H new ATOM 0 HB3 ALA A 25 -7.392 -13.627 6.749 1.00 32.53 H new ATOM 358 N PHE A 26 -7.469 -11.456 4.388 1.00 43.43 N ATOM 359 CA PHE A 26 -8.252 -11.095 3.221 1.00 50.45 C ATOM 360 C PHE A 26 -7.672 -9.884 2.477 1.00 25.30 C ATOM 361 O PHE A 26 -8.091 -9.594 1.356 1.00 43.42 O ATOM 362 CB PHE A 26 -9.699 -10.862 3.621 1.00 21.40 C ATOM 363 CG PHE A 26 -10.558 -12.099 3.821 1.00 61.44 C ATOM 364 CD1 PHE A 26 -11.267 -12.650 2.735 1.00 51.21 C ATOM 365 CD2 PHE A 26 -10.714 -12.662 5.102 1.00 30.12 C ATOM 366 CE1 PHE A 26 -12.133 -13.741 2.934 1.00 53.35 C ATOM 367 CE2 PHE A 26 -11.589 -13.744 5.304 1.00 10.02 C ATOM 368 CZ PHE A 26 -12.298 -14.288 4.218 1.00 30.41 C ATOM 0 H PHE A 26 -7.694 -10.902 5.214 1.00 43.43 H new ATOM 0 HA PHE A 26 -8.210 -11.929 2.520 1.00 50.45 H new ATOM 0 HB2 PHE A 26 -9.708 -10.288 4.547 1.00 21.40 H new ATOM 0 HB3 PHE A 26 -10.168 -10.242 2.857 1.00 21.40 H new ATOM 0 HD1 PHE A 26 -11.145 -12.233 1.746 1.00 51.21 H new ATOM 0 HD2 PHE A 26 -10.157 -12.260 5.936 1.00 30.12 H new ATOM 0 HE1 PHE A 26 -12.673 -14.159 2.097 1.00 53.35 H new ATOM 0 HE2 PHE A 26 -11.717 -14.157 6.294 1.00 10.02 H new ATOM 0 HZ PHE A 26 -12.966 -15.123 4.370 1.00 30.41 H new ATOM 378 N GLN A 27 -6.689 -9.177 3.035 1.00 65.23 N ATOM 379 CA GLN A 27 -5.998 -8.111 2.318 1.00 45.04 C ATOM 380 C GLN A 27 -5.260 -8.673 1.090 1.00 65.23 C ATOM 381 O GLN A 27 -5.183 -8.025 0.045 1.00 1.31 O ATOM 382 CB GLN A 27 -5.054 -7.402 3.290 1.00 21.12 C ATOM 383 CG GLN A 27 -4.624 -6.030 2.763 1.00 61.13 C ATOM 384 CD GLN A 27 -3.815 -5.316 3.827 1.00 3.30 C ATOM 385 OE1 GLN A 27 -2.587 -5.309 3.760 1.00 51.24 O ATOM 386 NE2 GLN A 27 -4.479 -4.774 4.831 1.00 2.31 N ATOM 0 H GLN A 27 -6.354 -9.326 3.987 1.00 65.23 H new ATOM 0 HA GLN A 27 -6.715 -7.383 1.939 1.00 45.04 H new ATOM 0 HB2 GLN A 27 -5.547 -7.283 4.255 1.00 21.12 H new ATOM 0 HB3 GLN A 27 -4.172 -8.020 3.457 1.00 21.12 H new ATOM 0 HG2 GLN A 27 -4.031 -6.146 1.856 1.00 61.13 H new ATOM 0 HG3 GLN A 27 -5.500 -5.438 2.498 1.00 61.13 H new ATOM 0 HE21 GLN A 27 -5.498 -4.804 4.844 1.00 2.31 H new ATOM 0 HE22 GLN A 27 -3.973 -4.325 5.594 1.00 2.31 H new ATOM 395 N TYR A 28 -4.790 -9.920 1.167 1.00 43.35 N ATOM 396 CA TYR A 28 -4.190 -10.636 0.044 1.00 62.03 C ATOM 397 C TYR A 28 -5.161 -10.805 -1.132 1.00 53.32 C ATOM 398 O TYR A 28 -4.744 -10.809 -2.290 1.00 43.24 O ATOM 399 CB TYR A 28 -3.734 -12.015 0.516 1.00 25.14 C ATOM 400 CG TYR A 28 -2.601 -12.001 1.520 1.00 2.50 C ATOM 401 CD1 TYR A 28 -1.275 -11.902 1.060 1.00 3.23 C ATOM 402 CD2 TYR A 28 -2.861 -12.132 2.898 1.00 70.04 C ATOM 403 CE1 TYR A 28 -0.204 -12.034 1.957 1.00 33.03 C ATOM 404 CE2 TYR A 28 -1.794 -12.293 3.798 1.00 42.34 C ATOM 405 CZ TYR A 28 -0.466 -12.287 3.319 1.00 24.22 C ATOM 406 OH TYR A 28 0.567 -12.559 4.154 1.00 73.32 O ATOM 0 H TYR A 28 -4.817 -10.468 2.027 1.00 43.35 H new ATOM 0 HA TYR A 28 -3.346 -10.043 -0.309 1.00 62.03 H new ATOM 0 HB2 TYR A 28 -4.586 -12.532 0.958 1.00 25.14 H new ATOM 0 HB3 TYR A 28 -3.424 -12.596 -0.352 1.00 25.14 H new ATOM 0 HD1 TYR A 28 -1.081 -11.724 0.013 1.00 3.23 H new ATOM 0 HD2 TYR A 28 -3.878 -12.109 3.262 1.00 70.04 H new ATOM 0 HE1 TYR A 28 0.813 -11.942 1.607 1.00 33.03 H new ATOM 0 HE2 TYR A 28 -1.989 -12.421 4.852 1.00 42.34 H new ATOM 0 HH TYR A 28 0.225 -12.710 5.060 1.00 73.32 H new ATOM 416 N THR A 29 -6.467 -10.910 -0.872 1.00 61.24 N ATOM 417 CA THR A 29 -7.487 -11.105 -1.901 1.00 14.53 C ATOM 418 C THR A 29 -8.065 -9.756 -2.368 1.00 50.42 C ATOM 419 O THR A 29 -9.156 -9.685 -2.929 1.00 64.42 O ATOM 420 CB THR A 29 -8.533 -12.129 -1.404 1.00 2.23 C ATOM 421 OG1 THR A 29 -9.099 -11.770 -0.163 1.00 44.41 O ATOM 422 CG2 THR A 29 -7.892 -13.497 -1.154 1.00 12.40 C ATOM 0 H THR A 29 -6.849 -10.861 0.073 1.00 61.24 H new ATOM 0 HA THR A 29 -7.046 -11.537 -2.800 1.00 14.53 H new ATOM 0 HB THR A 29 -9.288 -12.155 -2.189 1.00 2.23 H new ATOM 0 HG1 THR A 29 -8.727 -10.912 0.130 1.00 44.41 H new ATOM 0 HG21 THR A 29 -8.652 -14.197 -0.805 1.00 12.40 H new ATOM 0 HG22 THR A 29 -7.455 -13.869 -2.081 1.00 12.40 H new ATOM 0 HG23 THR A 29 -7.113 -13.401 -0.398 1.00 12.40 H new ATOM 430 N ARG A 30 -7.359 -8.649 -2.104 1.00 11.11 N ATOM 431 CA ARG A 30 -7.839 -7.281 -2.269 1.00 11.50 C ATOM 432 C ARG A 30 -6.825 -6.448 -3.059 1.00 73.45 C ATOM 433 O ARG A 30 -6.863 -5.227 -2.993 1.00 25.22 O ATOM 434 CB ARG A 30 -8.224 -6.766 -0.854 1.00 30.10 C ATOM 435 CG ARG A 30 -8.657 -5.306 -0.661 1.00 65.22 C ATOM 436 CD ARG A 30 -9.705 -4.874 -1.693 1.00 52.12 C ATOM 437 NE ARG A 30 -10.034 -3.438 -1.643 1.00 31.43 N ATOM 438 CZ ARG A 30 -9.224 -2.436 -2.008 1.00 10.14 C ATOM 439 NH1 ARG A 30 -7.957 -2.669 -2.322 1.00 45.21 N ATOM 440 NH2 ARG A 30 -9.676 -1.192 -2.072 1.00 5.30 N ATOM 0 H ARG A 30 -6.401 -8.689 -1.756 1.00 11.11 H new ATOM 0 HA ARG A 30 -8.737 -7.206 -2.882 1.00 11.50 H new ATOM 0 HB2 ARG A 30 -9.035 -7.396 -0.489 1.00 30.10 H new ATOM 0 HB3 ARG A 30 -7.368 -6.939 -0.202 1.00 30.10 H new ATOM 0 HG2 ARG A 30 -9.063 -5.178 0.342 1.00 65.22 H new ATOM 0 HG3 ARG A 30 -7.785 -4.657 -0.737 1.00 65.22 H new ATOM 0 HD2 ARG A 30 -9.341 -5.119 -2.691 1.00 52.12 H new ATOM 0 HD3 ARG A 30 -10.616 -5.451 -1.535 1.00 52.12 H new ATOM 0 HE ARG A 30 -10.961 -3.185 -1.300 1.00 31.43 H new ATOM 0 HH11 ARG A 30 -7.589 -3.620 -2.287 1.00 45.21 H new ATOM 0 HH12 ARG A 30 -7.350 -1.897 -2.599 1.00 45.21 H new ATOM 0 HH21 ARG A 30 -10.649 -0.990 -1.842 1.00 5.30 H new ATOM 0 HH22 ARG A 30 -9.051 -0.436 -2.351 1.00 5.30 H new ATOM 454 N VAL A 31 -5.932 -7.062 -3.836 1.00 32.41 N ATOM 455 CA VAL A 31 -4.825 -6.434 -4.572 1.00 72.21 C ATOM 456 C VAL A 31 -4.644 -7.046 -5.968 1.00 51.52 C ATOM 457 O VAL A 31 -4.738 -8.266 -6.121 1.00 23.40 O ATOM 458 CB VAL A 31 -3.569 -6.481 -3.687 1.00 62.44 C ATOM 459 CG1 VAL A 31 -3.383 -7.815 -3.009 1.00 42.24 C ATOM 460 CG2 VAL A 31 -2.285 -6.090 -4.415 1.00 43.52 C ATOM 0 H VAL A 31 -5.961 -8.071 -3.979 1.00 32.41 H new ATOM 0 HA VAL A 31 -5.048 -5.387 -4.776 1.00 72.21 H new ATOM 0 HB VAL A 31 -3.755 -5.725 -2.925 1.00 62.44 H new ATOM 0 HG11 VAL A 31 -2.481 -7.790 -2.398 1.00 42.24 H new ATOM 0 HG12 VAL A 31 -4.245 -8.024 -2.375 1.00 42.24 H new ATOM 0 HG13 VAL A 31 -3.289 -8.596 -3.763 1.00 42.24 H new ATOM 0 HG21 VAL A 31 -1.443 -6.148 -3.725 1.00 43.52 H new ATOM 0 HG22 VAL A 31 -2.118 -6.772 -5.249 1.00 43.52 H new ATOM 0 HG23 VAL A 31 -2.376 -5.071 -4.792 1.00 43.52 H new ATOM 470 N LYS A 32 -4.457 -6.200 -6.991 1.00 52.23 N ATOM 471 CA LYS A 32 -4.220 -6.602 -8.387 1.00 74.02 C ATOM 472 C LYS A 32 -2.785 -7.107 -8.527 1.00 13.21 C ATOM 473 O LYS A 32 -2.015 -7.052 -7.567 1.00 11.30 O ATOM 474 CB LYS A 32 -4.438 -5.387 -9.321 1.00 50.52 C ATOM 475 CG LYS A 32 -5.824 -5.313 -9.987 1.00 5.20 C ATOM 476 CD LYS A 32 -6.010 -6.347 -11.105 1.00 74.41 C ATOM 477 CE LYS A 32 -7.075 -5.942 -12.133 1.00 14.21 C ATOM 478 NZ LYS A 32 -6.686 -4.795 -12.983 1.00 42.21 N ATOM 0 H LYS A 32 -4.467 -5.188 -6.868 1.00 52.23 H new ATOM 0 HA LYS A 32 -4.915 -7.395 -8.663 1.00 74.02 H new ATOM 0 HB2 LYS A 32 -4.279 -4.474 -8.747 1.00 50.52 H new ATOM 0 HB3 LYS A 32 -3.678 -5.408 -10.102 1.00 50.52 H new ATOM 0 HG2 LYS A 32 -6.593 -5.463 -9.229 1.00 5.20 H new ATOM 0 HG3 LYS A 32 -5.971 -4.314 -10.396 1.00 5.20 H new ATOM 0 HD2 LYS A 32 -5.059 -6.495 -11.616 1.00 74.41 H new ATOM 0 HD3 LYS A 32 -6.286 -7.304 -10.663 1.00 74.41 H new ATOM 0 HE2 LYS A 32 -7.292 -6.798 -12.772 1.00 14.21 H new ATOM 0 HE3 LYS A 32 -7.997 -5.695 -11.607 1.00 14.21 H new ATOM 0 HZ1 LYS A 32 -7.498 -4.154 -13.094 1.00 42.21 H new ATOM 0 HZ2 LYS A 32 -5.899 -4.283 -12.536 1.00 42.21 H new ATOM 0 HZ3 LYS A 32 -6.388 -5.141 -13.917 1.00 42.21 H new ATOM 492 N PHE A 33 -2.386 -7.577 -9.706 1.00 21.21 N ATOM 493 CA PHE A 33 -0.972 -7.650 -10.034 1.00 41.51 C ATOM 494 C PHE A 33 -0.793 -7.530 -11.555 1.00 74.41 C ATOM 495 O PHE A 33 -1.723 -7.901 -12.282 1.00 54.21 O ATOM 496 CB PHE A 33 -0.367 -8.952 -9.473 1.00 42.44 C ATOM 497 CG PHE A 33 1.069 -8.753 -9.039 1.00 70.01 C ATOM 498 CD1 PHE A 33 1.353 -7.860 -7.984 1.00 12.52 C ATOM 499 CD2 PHE A 33 2.124 -9.309 -9.789 1.00 74.12 C ATOM 500 CE1 PHE A 33 2.676 -7.481 -7.719 1.00 13.20 C ATOM 501 CE2 PHE A 33 3.449 -8.936 -9.512 1.00 25.31 C ATOM 502 CZ PHE A 33 3.723 -8.010 -8.492 1.00 34.23 C ATOM 0 H PHE A 33 -3.014 -7.908 -10.438 1.00 21.21 H new ATOM 0 HA PHE A 33 -0.436 -6.822 -9.571 1.00 41.51 H new ATOM 0 HB2 PHE A 33 -0.960 -9.295 -8.625 1.00 42.44 H new ATOM 0 HB3 PHE A 33 -0.414 -9.733 -10.232 1.00 42.44 H new ATOM 0 HD1 PHE A 33 0.549 -7.468 -7.379 1.00 12.52 H new ATOM 0 HD2 PHE A 33 1.914 -10.020 -10.575 1.00 74.12 H new ATOM 0 HE1 PHE A 33 2.890 -6.784 -6.922 1.00 13.20 H new ATOM 0 HE2 PHE A 33 4.259 -9.362 -10.085 1.00 25.31 H new ATOM 0 HZ PHE A 33 4.741 -7.704 -8.302 1.00 34.23 H new ATOM 512 N PRO A 34 0.369 -7.067 -12.057 1.00 65.21 N ATOM 513 CA PRO A 34 1.396 -6.308 -11.335 1.00 62.11 C ATOM 514 C PRO A 34 0.866 -4.963 -10.835 1.00 13.23 C ATOM 515 O PRO A 34 -0.301 -4.631 -11.069 1.00 4.10 O ATOM 516 CB PRO A 34 2.568 -6.158 -12.305 1.00 33.33 C ATOM 517 CG PRO A 34 1.887 -6.179 -13.663 1.00 4.20 C ATOM 518 CD PRO A 34 0.696 -7.111 -13.472 1.00 33.40 C ATOM 0 HA PRO A 34 1.712 -6.828 -10.431 1.00 62.11 H new ATOM 0 HB2 PRO A 34 3.113 -5.228 -12.140 1.00 33.33 H new ATOM 0 HB3 PRO A 34 3.286 -6.971 -12.200 1.00 33.33 H new ATOM 0 HG2 PRO A 34 1.567 -5.181 -13.963 1.00 4.20 H new ATOM 0 HG3 PRO A 34 2.559 -6.546 -14.439 1.00 4.20 H new ATOM 0 HD2 PRO A 34 -0.151 -6.789 -14.077 1.00 33.40 H new ATOM 0 HD3 PRO A 34 0.942 -8.126 -13.783 1.00 33.40 H new ATOM 526 N LEU A 35 1.701 -4.235 -10.090 1.00 44.14 N ATOM 527 CA LEU A 35 1.396 -2.899 -9.591 1.00 50.51 C ATOM 528 C LEU A 35 2.236 -1.870 -10.331 1.00 70.43 C ATOM 529 O LEU A 35 3.192 -2.220 -11.030 1.00 33.33 O ATOM 530 CB LEU A 35 1.668 -2.802 -8.088 1.00 64.25 C ATOM 531 CG LEU A 35 0.904 -3.824 -7.238 1.00 61.12 C ATOM 532 CD1 LEU A 35 1.258 -3.562 -5.789 1.00 54.41 C ATOM 533 CD2 LEU A 35 -0.617 -3.723 -7.329 1.00 65.05 C ATOM 0 H LEU A 35 2.625 -4.567 -9.813 1.00 44.14 H new ATOM 0 HA LEU A 35 0.338 -2.701 -9.764 1.00 50.51 H new ATOM 0 HB2 LEU A 35 2.737 -2.931 -7.916 1.00 64.25 H new ATOM 0 HB3 LEU A 35 1.409 -1.799 -7.748 1.00 64.25 H new ATOM 0 HG LEU A 35 1.191 -4.808 -7.610 1.00 61.12 H new ATOM 0 HD11 LEU A 35 0.731 -4.272 -5.152 1.00 54.41 H new ATOM 0 HD12 LEU A 35 2.333 -3.678 -5.650 1.00 54.41 H new ATOM 0 HD13 LEU A 35 0.965 -2.547 -5.521 1.00 54.41 H new ATOM 0 HD21 LEU A 35 -1.071 -4.485 -6.695 1.00 65.05 H new ATOM 0 HD22 LEU A 35 -0.937 -2.736 -6.996 1.00 65.05 H new ATOM 0 HD23 LEU A 35 -0.931 -3.876 -8.362 1.00 65.05 H new ATOM 545 N LYS A 36 1.868 -0.600 -10.167 1.00 11.51 N ATOM 546 CA LYS A 36 2.400 0.438 -11.059 1.00 31.32 C ATOM 547 C LYS A 36 3.832 0.780 -10.684 1.00 43.24 C ATOM 548 O LYS A 36 4.668 0.923 -11.571 1.00 62.15 O ATOM 549 CB LYS A 36 1.578 1.734 -11.095 1.00 23.43 C ATOM 550 CG LYS A 36 0.068 1.639 -10.919 1.00 50.21 C ATOM 551 CD LYS A 36 -0.623 0.709 -11.934 1.00 3.53 C ATOM 552 CE LYS A 36 -2.143 0.783 -11.763 1.00 53.53 C ATOM 553 NZ LYS A 36 -2.686 2.107 -12.137 1.00 10.51 N ATOM 0 H LYS A 36 1.224 -0.268 -9.449 1.00 11.51 H new ATOM 0 HA LYS A 36 2.346 0.003 -12.057 1.00 31.32 H new ATOM 0 HB2 LYS A 36 1.962 2.393 -10.316 1.00 23.43 H new ATOM 0 HB3 LYS A 36 1.771 2.223 -12.050 1.00 23.43 H new ATOM 0 HG2 LYS A 36 -0.149 1.285 -9.911 1.00 50.21 H new ATOM 0 HG3 LYS A 36 -0.361 2.637 -11.005 1.00 50.21 H new ATOM 0 HD2 LYS A 36 -0.349 0.997 -12.949 1.00 3.53 H new ATOM 0 HD3 LYS A 36 -0.282 -0.316 -11.791 1.00 3.53 H new ATOM 0 HE2 LYS A 36 -2.613 0.014 -12.376 1.00 53.53 H new ATOM 0 HE3 LYS A 36 -2.401 0.567 -10.726 1.00 53.53 H new ATOM 0 HZ1 LYS A 36 -2.837 2.675 -11.279 1.00 10.51 H new ATOM 0 HZ2 LYS A 36 -2.012 2.595 -12.761 1.00 10.51 H new ATOM 0 HZ3 LYS A 36 -3.591 1.983 -12.634 1.00 10.51 H new ATOM 567 N THR A 37 4.110 0.919 -9.390 1.00 70.45 N ATOM 568 CA THR A 37 5.441 1.218 -8.871 1.00 43.33 C ATOM 569 C THR A 37 5.949 -0.056 -8.171 1.00 14.50 C ATOM 570 O THR A 37 5.549 -0.342 -7.039 1.00 3.10 O ATOM 571 CB THR A 37 5.447 2.526 -8.062 1.00 5.20 C ATOM 572 OG1 THR A 37 6.759 2.893 -7.690 1.00 70.04 O ATOM 573 CG2 THR A 37 4.613 2.486 -6.782 1.00 54.11 C ATOM 0 H THR A 37 3.404 0.825 -8.660 1.00 70.45 H new ATOM 0 HA THR A 37 6.165 1.446 -9.654 1.00 43.33 H new ATOM 0 HB THR A 37 5.000 3.253 -8.740 1.00 5.20 H new ATOM 0 HG1 THR A 37 6.732 3.728 -7.178 1.00 70.04 H new ATOM 0 HG21 THR A 37 4.676 3.450 -6.277 1.00 54.11 H new ATOM 0 HG22 THR A 37 3.573 2.274 -7.032 1.00 54.11 H new ATOM 0 HG23 THR A 37 4.994 1.706 -6.123 1.00 54.11 H new ATOM 581 N PRO A 38 6.599 -0.992 -8.888 1.00 70.23 N ATOM 582 CA PRO A 38 7.209 -2.166 -8.267 1.00 74.45 C ATOM 583 C PRO A 38 8.367 -1.750 -7.346 1.00 74.41 C ATOM 584 O PRO A 38 8.758 -0.580 -7.309 1.00 52.34 O ATOM 585 CB PRO A 38 7.663 -3.043 -9.439 1.00 33.03 C ATOM 586 CG PRO A 38 8.038 -2.006 -10.490 1.00 4.40 C ATOM 587 CD PRO A 38 7.002 -0.905 -10.283 1.00 34.32 C ATOM 0 HA PRO A 38 6.520 -2.713 -7.623 1.00 74.45 H new ATOM 0 HB2 PRO A 38 8.509 -3.675 -9.171 1.00 33.03 H new ATOM 0 HB3 PRO A 38 6.868 -3.704 -9.785 1.00 33.03 H new ATOM 0 HG2 PRO A 38 9.053 -1.636 -10.345 1.00 4.40 H new ATOM 0 HG3 PRO A 38 7.990 -2.419 -11.498 1.00 4.40 H new ATOM 0 HD2 PRO A 38 7.424 0.075 -10.507 1.00 34.32 H new ATOM 0 HD3 PRO A 38 6.148 -1.043 -10.946 1.00 34.32 H new ATOM 595 N ILE A 39 8.967 -2.732 -6.659 1.00 72.05 N ATOM 596 CA ILE A 39 10.233 -2.541 -5.953 1.00 73.05 C ATOM 597 C ILE A 39 11.205 -1.984 -6.985 1.00 50.42 C ATOM 598 O ILE A 39 11.447 -2.668 -7.980 1.00 70.13 O ATOM 599 CB ILE A 39 10.782 -3.876 -5.394 1.00 43.44 C ATOM 600 CG1 ILE A 39 9.754 -4.591 -4.490 1.00 73.04 C ATOM 601 CG2 ILE A 39 12.152 -3.655 -4.704 1.00 34.40 C ATOM 602 CD1 ILE A 39 10.193 -5.979 -4.012 1.00 3.50 C ATOM 0 H ILE A 39 8.587 -3.675 -6.580 1.00 72.05 H new ATOM 0 HA ILE A 39 10.098 -1.873 -5.102 1.00 73.05 H new ATOM 0 HB ILE A 39 10.952 -4.554 -6.231 1.00 43.44 H new ATOM 0 HG12 ILE A 39 9.556 -3.966 -3.620 1.00 73.04 H new ATOM 0 HG13 ILE A 39 8.814 -4.687 -5.034 1.00 73.04 H new ATOM 0 HG21 ILE A 39 12.522 -4.605 -4.317 1.00 34.40 H new ATOM 0 HG22 ILE A 39 12.863 -3.256 -5.427 1.00 34.40 H new ATOM 0 HG23 ILE A 39 12.036 -2.949 -3.882 1.00 34.40 H new ATOM 0 HD11 ILE A 39 9.414 -6.410 -3.383 1.00 3.50 H new ATOM 0 HD12 ILE A 39 10.362 -6.624 -4.874 1.00 3.50 H new ATOM 0 HD13 ILE A 39 11.115 -5.891 -3.438 1.00 3.50 H new ATOM 614 N THR A 40 11.762 -0.803 -6.738 1.00 64.23 N ATOM 615 CA THR A 40 12.804 -0.198 -7.548 1.00 64.12 C ATOM 616 C THR A 40 13.946 0.097 -6.586 1.00 2.24 C ATOM 617 O THR A 40 13.744 0.739 -5.550 1.00 25.10 O ATOM 618 CB THR A 40 12.245 1.034 -8.269 1.00 52.25 C ATOM 619 OG1 THR A 40 11.131 0.634 -9.046 1.00 52.42 O ATOM 620 CG2 THR A 40 13.285 1.674 -9.189 1.00 52.43 C ATOM 0 H THR A 40 11.489 -0.225 -5.943 1.00 64.23 H new ATOM 0 HA THR A 40 13.172 -0.842 -8.346 1.00 64.12 H new ATOM 0 HB THR A 40 11.960 1.771 -7.518 1.00 52.25 H new ATOM 0 HG1 THR A 40 10.390 0.389 -8.453 1.00 52.42 H new ATOM 0 HG21 THR A 40 12.849 2.544 -9.681 1.00 52.43 H new ATOM 0 HG22 THR A 40 14.149 1.984 -8.601 1.00 52.43 H new ATOM 0 HG23 THR A 40 13.599 0.951 -9.942 1.00 52.43 H new ATOM 628 N LEU A 41 15.108 -0.497 -6.846 1.00 43.55 N ATOM 629 CA LEU A 41 16.326 -0.308 -6.068 1.00 2.43 C ATOM 630 C LEU A 41 17.434 0.080 -7.039 1.00 73.33 C ATOM 631 O LEU A 41 17.403 -0.305 -8.216 1.00 73.21 O ATOM 632 CB LEU A 41 16.685 -1.546 -5.234 1.00 74.44 C ATOM 633 CG LEU A 41 16.544 -2.929 -5.891 1.00 1.21 C ATOM 634 CD1 LEU A 41 17.624 -3.237 -6.933 1.00 73.41 C ATOM 635 CD2 LEU A 41 16.608 -3.955 -4.763 1.00 61.41 C ATOM 0 H LEU A 41 15.230 -1.142 -7.627 1.00 43.55 H new ATOM 0 HA LEU A 41 16.180 0.486 -5.336 1.00 2.43 H new ATOM 0 HB2 LEU A 41 17.718 -1.438 -4.904 1.00 74.44 H new ATOM 0 HB3 LEU A 41 16.062 -1.537 -4.339 1.00 74.44 H new ATOM 0 HG LEU A 41 15.601 -2.958 -6.438 1.00 1.21 H new ATOM 0 HD11 LEU A 41 17.455 -4.230 -7.350 1.00 73.41 H new ATOM 0 HD12 LEU A 41 17.581 -2.496 -7.731 1.00 73.41 H new ATOM 0 HD13 LEU A 41 18.606 -3.204 -6.460 1.00 73.41 H new ATOM 0 HD21 LEU A 41 16.512 -4.958 -5.178 1.00 61.41 H new ATOM 0 HD22 LEU A 41 17.563 -3.866 -4.244 1.00 61.41 H new ATOM 0 HD23 LEU A 41 15.795 -3.774 -4.060 1.00 61.41 H new ATOM 647 N LEU A 42 18.441 0.779 -6.529 1.00 5.21 N ATOM 648 CA LEU A 42 19.693 1.008 -7.213 1.00 62.44 C ATOM 649 C LEU A 42 20.458 -0.308 -7.150 1.00 21.31 C ATOM 650 O LEU A 42 20.814 -0.747 -6.053 1.00 62.25 O ATOM 651 CB LEU A 42 20.457 2.144 -6.508 1.00 70.35 C ATOM 652 CG LEU A 42 21.501 2.823 -7.397 1.00 54.23 C ATOM 653 CD1 LEU A 42 20.808 3.711 -8.440 1.00 52.44 C ATOM 654 CD2 LEU A 42 22.400 3.675 -6.496 1.00 2.12 C ATOM 0 H LEU A 42 18.401 1.210 -5.605 1.00 5.21 H new ATOM 0 HA LEU A 42 19.552 1.312 -8.250 1.00 62.44 H new ATOM 0 HB2 LEU A 42 19.743 2.892 -6.164 1.00 70.35 H new ATOM 0 HB3 LEU A 42 20.951 1.744 -5.623 1.00 70.35 H new ATOM 0 HG LEU A 42 22.092 2.076 -7.927 1.00 54.23 H new ATOM 0 HD11 LEU A 42 21.560 4.190 -9.068 1.00 52.44 H new ATOM 0 HD12 LEU A 42 20.153 3.100 -9.061 1.00 52.44 H new ATOM 0 HD13 LEU A 42 20.218 4.475 -7.933 1.00 52.44 H new ATOM 0 HD21 LEU A 42 23.156 4.173 -7.103 1.00 2.12 H new ATOM 0 HD22 LEU A 42 21.796 4.423 -5.983 1.00 2.12 H new ATOM 0 HD23 LEU A 42 22.888 3.036 -5.760 1.00 2.12 H new ATOM 666 N ALA A 43 20.637 -0.956 -8.301 1.00 25.31 N ATOM 667 CA ALA A 43 21.468 -2.143 -8.504 1.00 34.11 C ATOM 668 C ALA A 43 22.961 -1.807 -8.319 1.00 3.50 C ATOM 669 O ALA A 43 23.305 -0.654 -8.056 1.00 2.44 O ATOM 670 CB ALA A 43 21.186 -2.652 -9.923 1.00 51.12 C ATOM 0 H ALA A 43 20.183 -0.651 -9.162 1.00 25.31 H new ATOM 0 HA ALA A 43 21.229 -2.912 -7.769 1.00 34.11 H new ATOM 0 HB1 ALA A 43 21.787 -3.540 -10.117 1.00 51.12 H new ATOM 0 HB2 ALA A 43 20.129 -2.902 -10.017 1.00 51.12 H new ATOM 0 HB3 ALA A 43 21.441 -1.876 -10.645 1.00 51.12 H new ATOM 676 N ASP A 44 23.854 -2.778 -8.546 1.00 44.41 N ATOM 677 CA ASP A 44 25.300 -2.685 -8.274 1.00 73.35 C ATOM 678 C ASP A 44 25.981 -1.479 -8.940 1.00 42.22 C ATOM 679 O ASP A 44 26.984 -0.997 -8.415 1.00 10.12 O ATOM 680 CB ASP A 44 26.047 -3.952 -8.757 1.00 32.44 C ATOM 681 CG ASP A 44 25.978 -5.185 -7.847 1.00 22.13 C ATOM 682 OD1 ASP A 44 24.963 -5.412 -7.150 1.00 70.34 O ATOM 683 OD2 ASP A 44 26.883 -6.052 -7.932 1.00 61.03 O ATOM 0 H ASP A 44 23.585 -3.681 -8.937 1.00 44.41 H new ATOM 0 HA ASP A 44 25.364 -2.572 -7.192 1.00 73.35 H new ATOM 0 HB2 ASP A 44 25.651 -4.228 -9.734 1.00 32.44 H new ATOM 0 HB3 ASP A 44 27.096 -3.694 -8.900 1.00 32.44 H new ATOM 688 N ASP A 45 25.494 -1.003 -10.093 1.00 74.24 N ATOM 689 CA ASP A 45 26.228 -0.048 -10.934 1.00 30.10 C ATOM 690 C ASP A 45 26.342 1.317 -10.261 1.00 33.02 C ATOM 691 O ASP A 45 27.436 1.852 -10.124 1.00 51.42 O ATOM 692 CB ASP A 45 25.614 0.060 -12.338 1.00 62.44 C ATOM 693 CG ASP A 45 26.655 -0.011 -13.466 1.00 70.44 C ATOM 694 OD1 ASP A 45 27.591 -0.836 -13.362 1.00 64.12 O ATOM 695 OD2 ASP A 45 26.492 0.661 -14.512 1.00 11.53 O ATOM 0 H ASP A 45 24.583 -1.268 -10.468 1.00 74.24 H new ATOM 0 HA ASP A 45 27.240 -0.434 -11.056 1.00 30.10 H new ATOM 0 HB2 ASP A 45 24.889 -0.742 -12.472 1.00 62.44 H new ATOM 0 HB3 ASP A 45 25.068 1.000 -12.416 1.00 62.44 H new ATOM 700 N GLY A 46 25.210 1.853 -9.810 1.00 65.13 N ATOM 701 CA GLY A 46 25.048 3.119 -9.116 1.00 70.14 C ATOM 702 C GLY A 46 24.160 4.101 -9.875 1.00 33.21 C ATOM 703 O GLY A 46 23.908 5.186 -9.360 1.00 63.24 O ATOM 0 H GLY A 46 24.318 1.374 -9.932 1.00 65.13 H new ATOM 0 HA2 GLY A 46 24.619 2.936 -8.131 1.00 70.14 H new ATOM 0 HA3 GLY A 46 26.028 3.570 -8.958 1.00 70.14 H new ATOM 707 N GLU A 47 23.633 3.748 -11.054 1.00 53.41 N ATOM 708 CA GLU A 47 22.602 4.455 -11.746 1.00 13.11 C ATOM 709 C GLU A 47 21.594 3.465 -12.378 1.00 63.13 C ATOM 710 O GLU A 47 20.472 3.856 -12.698 1.00 25.00 O ATOM 711 CB GLU A 47 23.354 5.350 -12.734 1.00 51.55 C ATOM 712 CG GLU A 47 22.384 5.933 -13.735 1.00 52.54 C ATOM 713 CD GLU A 47 22.734 7.315 -14.289 1.00 11.43 C ATOM 714 OE1 GLU A 47 23.538 8.055 -13.685 1.00 25.34 O ATOM 715 OE2 GLU A 47 22.122 7.729 -15.302 1.00 24.31 O ATOM 0 H GLU A 47 23.944 2.918 -11.558 1.00 53.41 H new ATOM 0 HA GLU A 47 21.971 5.072 -11.106 1.00 13.11 H new ATOM 0 HB2 GLU A 47 23.864 6.151 -12.198 1.00 51.55 H new ATOM 0 HB3 GLU A 47 24.121 4.773 -13.250 1.00 51.55 H new ATOM 0 HG2 GLU A 47 22.298 5.240 -14.572 1.00 52.54 H new ATOM 0 HG3 GLU A 47 21.402 5.991 -13.266 1.00 52.54 H new ATOM 722 N THR A 48 21.928 2.173 -12.524 1.00 43.34 N ATOM 723 CA THR A 48 20.986 1.181 -13.019 1.00 10.54 C ATOM 724 C THR A 48 19.940 0.940 -11.916 1.00 51.31 C ATOM 725 O THR A 48 20.211 0.255 -10.926 1.00 50.15 O ATOM 726 CB THR A 48 21.729 -0.114 -13.410 1.00 64.24 C ATOM 727 OG1 THR A 48 22.792 0.126 -14.323 1.00 10.22 O ATOM 728 CG2 THR A 48 20.801 -1.125 -14.085 1.00 71.44 C ATOM 0 H THR A 48 22.851 1.799 -12.302 1.00 43.34 H new ATOM 0 HA THR A 48 20.482 1.533 -13.920 1.00 10.54 H new ATOM 0 HB THR A 48 22.115 -0.507 -12.469 1.00 64.24 H new ATOM 0 HG1 THR A 48 23.234 -0.721 -14.540 1.00 10.22 H new ATOM 0 HG21 THR A 48 21.365 -2.021 -14.343 1.00 71.44 H new ATOM 0 HG22 THR A 48 19.993 -1.389 -13.403 1.00 71.44 H new ATOM 0 HG23 THR A 48 20.382 -0.686 -14.991 1.00 71.44 H new ATOM 736 N GLU A 49 18.740 1.480 -12.070 1.00 44.41 N ATOM 737 CA GLU A 49 17.578 1.000 -11.346 1.00 24.13 C ATOM 738 C GLU A 49 17.231 -0.362 -11.931 1.00 10.22 C ATOM 739 O GLU A 49 17.265 -0.544 -13.159 1.00 53.12 O ATOM 740 CB GLU A 49 16.403 1.972 -11.492 1.00 4.14 C ATOM 741 CG GLU A 49 16.603 3.180 -10.574 1.00 43.11 C ATOM 742 CD GLU A 49 15.671 4.344 -10.882 1.00 4.51 C ATOM 743 OE1 GLU A 49 14.511 4.119 -11.309 1.00 72.03 O ATOM 744 OE2 GLU A 49 16.077 5.499 -10.627 1.00 72.15 O ATOM 0 H GLU A 49 18.547 2.260 -12.698 1.00 44.41 H new ATOM 0 HA GLU A 49 17.789 0.923 -10.279 1.00 24.13 H new ATOM 0 HB2 GLU A 49 16.320 2.302 -12.528 1.00 4.14 H new ATOM 0 HB3 GLU A 49 15.470 1.467 -11.243 1.00 4.14 H new ATOM 0 HG2 GLU A 49 16.452 2.869 -9.540 1.00 43.11 H new ATOM 0 HG3 GLU A 49 17.635 3.521 -10.656 1.00 43.11 H new ATOM 751 N LYS A 50 16.890 -1.317 -11.067 1.00 31.03 N ATOM 752 CA LYS A 50 16.313 -2.583 -11.503 1.00 13.33 C ATOM 753 C LYS A 50 15.091 -2.869 -10.660 1.00 51.43 C ATOM 754 O LYS A 50 15.108 -2.649 -9.448 1.00 24.24 O ATOM 755 CB LYS A 50 17.333 -3.724 -11.433 1.00 1.53 C ATOM 756 CG LYS A 50 18.452 -3.544 -12.475 1.00 25.44 C ATOM 757 CD LYS A 50 19.111 -4.856 -12.911 1.00 25.41 C ATOM 758 CE LYS A 50 19.827 -5.575 -11.764 1.00 22.40 C ATOM 759 NZ LYS A 50 20.408 -6.854 -12.225 1.00 10.52 N ATOM 0 H LYS A 50 17.005 -1.235 -10.057 1.00 31.03 H new ATOM 0 HA LYS A 50 16.019 -2.507 -12.550 1.00 13.33 H new ATOM 0 HB2 LYS A 50 17.767 -3.765 -10.434 1.00 1.53 H new ATOM 0 HB3 LYS A 50 16.828 -4.676 -11.600 1.00 1.53 H new ATOM 0 HG2 LYS A 50 18.041 -3.046 -13.353 1.00 25.44 H new ATOM 0 HG3 LYS A 50 19.216 -2.884 -12.063 1.00 25.44 H new ATOM 0 HD2 LYS A 50 18.351 -5.517 -13.329 1.00 25.41 H new ATOM 0 HD3 LYS A 50 19.827 -4.650 -13.707 1.00 25.41 H new ATOM 0 HE2 LYS A 50 20.615 -4.936 -11.364 1.00 22.40 H new ATOM 0 HE3 LYS A 50 19.125 -5.762 -10.952 1.00 22.40 H new ATOM 0 HZ1 LYS A 50 20.888 -7.323 -11.431 1.00 10.52 H new ATOM 0 HZ2 LYS A 50 19.651 -7.470 -12.585 1.00 10.52 H new ATOM 0 HZ3 LYS A 50 21.094 -6.670 -12.984 1.00 10.52 H new ATOM 773 N THR A 51 14.031 -3.335 -11.313 1.00 22.00 N ATOM 774 CA THR A 51 12.806 -3.657 -10.613 1.00 21.00 C ATOM 775 C THR A 51 12.894 -5.052 -9.993 1.00 52.23 C ATOM 776 O THR A 51 13.666 -5.898 -10.453 1.00 11.11 O ATOM 777 CB THR A 51 11.581 -3.473 -11.520 1.00 32.11 C ATOM 778 OG1 THR A 51 11.685 -4.158 -12.755 1.00 70.22 O ATOM 779 CG2 THR A 51 11.359 -1.996 -11.830 1.00 31.23 C ATOM 0 H THR A 51 14.001 -3.495 -12.320 1.00 22.00 H new ATOM 0 HA THR A 51 12.675 -2.955 -9.789 1.00 21.00 H new ATOM 0 HB THR A 51 10.745 -3.893 -10.962 1.00 32.11 H new ATOM 0 HG1 THR A 51 10.875 -4.003 -13.284 1.00 70.22 H new ATOM 0 HG21 THR A 51 10.486 -1.887 -12.474 1.00 31.23 H new ATOM 0 HG22 THR A 51 11.195 -1.450 -10.901 1.00 31.23 H new ATOM 0 HG23 THR A 51 12.237 -1.595 -12.337 1.00 31.23 H new ATOM 787 N PHE A 52 12.082 -5.319 -8.968 1.00 65.42 N ATOM 788 CA PHE A 52 11.848 -6.661 -8.449 1.00 3.21 C ATOM 789 C PHE A 52 10.340 -6.895 -8.321 1.00 43.33 C ATOM 790 O PHE A 52 9.600 -5.981 -7.947 1.00 50.54 O ATOM 791 CB PHE A 52 12.567 -6.885 -7.103 1.00 65.14 C ATOM 792 CG PHE A 52 13.985 -7.406 -7.232 1.00 52.13 C ATOM 793 CD1 PHE A 52 14.994 -6.567 -7.737 1.00 23.23 C ATOM 794 CD2 PHE A 52 14.299 -8.733 -6.871 1.00 22.12 C ATOM 795 CE1 PHE A 52 16.291 -7.064 -7.927 1.00 1.40 C ATOM 796 CE2 PHE A 52 15.610 -9.218 -7.030 1.00 1.44 C ATOM 797 CZ PHE A 52 16.606 -8.385 -7.567 1.00 64.32 C ATOM 0 H PHE A 52 11.563 -4.596 -8.470 1.00 65.42 H new ATOM 0 HA PHE A 52 12.265 -7.386 -9.148 1.00 3.21 H new ATOM 0 HB2 PHE A 52 12.587 -5.944 -6.554 1.00 65.14 H new ATOM 0 HB3 PHE A 52 11.986 -7.589 -6.507 1.00 65.14 H new ATOM 0 HD1 PHE A 52 14.770 -5.539 -7.979 1.00 23.23 H new ATOM 0 HD2 PHE A 52 13.531 -9.378 -6.471 1.00 22.12 H new ATOM 0 HE1 PHE A 52 17.053 -6.428 -8.353 1.00 1.40 H new ATOM 0 HE2 PHE A 52 15.851 -10.230 -6.739 1.00 1.44 H new ATOM 0 HZ PHE A 52 17.610 -8.759 -7.703 1.00 64.32 H new ATOM 807 N PRO A 53 9.867 -8.129 -8.572 1.00 10.51 N ATOM 808 CA PRO A 53 8.459 -8.472 -8.467 1.00 50.43 C ATOM 809 C PRO A 53 8.032 -8.434 -7.001 1.00 71.23 C ATOM 810 O PRO A 53 8.661 -9.046 -6.130 1.00 30.30 O ATOM 811 CB PRO A 53 8.315 -9.864 -9.085 1.00 71.25 C ATOM 812 CG PRO A 53 9.696 -10.477 -8.879 1.00 44.42 C ATOM 813 CD PRO A 53 10.631 -9.281 -9.020 1.00 74.15 C ATOM 0 HA PRO A 53 7.813 -7.768 -8.992 1.00 50.43 H new ATOM 0 HB2 PRO A 53 7.537 -10.446 -8.591 1.00 71.25 H new ATOM 0 HB3 PRO A 53 8.051 -9.811 -10.141 1.00 71.25 H new ATOM 0 HG2 PRO A 53 9.787 -10.946 -7.899 1.00 44.42 H new ATOM 0 HG3 PRO A 53 9.910 -11.246 -9.621 1.00 44.42 H new ATOM 0 HD2 PRO A 53 11.529 -9.413 -8.417 1.00 74.15 H new ATOM 0 HD3 PRO A 53 10.956 -9.158 -10.053 1.00 74.15 H new ATOM 821 N PHE A 54 6.963 -7.693 -6.735 1.00 24.30 N ATOM 822 CA PHE A 54 6.382 -7.476 -5.422 1.00 52.45 C ATOM 823 C PHE A 54 5.460 -8.657 -5.071 1.00 42.14 C ATOM 824 O PHE A 54 4.261 -8.635 -5.369 1.00 33.11 O ATOM 825 CB PHE A 54 5.680 -6.106 -5.472 1.00 2.33 C ATOM 826 CG PHE A 54 5.284 -5.538 -4.129 1.00 10.11 C ATOM 827 CD1 PHE A 54 6.276 -5.253 -3.169 1.00 52.15 C ATOM 828 CD2 PHE A 54 3.942 -5.201 -3.876 1.00 72.23 C ATOM 829 CE1 PHE A 54 5.926 -4.617 -1.968 1.00 64.44 C ATOM 830 CE2 PHE A 54 3.602 -4.556 -2.673 1.00 31.40 C ATOM 831 CZ PHE A 54 4.592 -4.267 -1.721 1.00 52.12 C ATOM 0 H PHE A 54 6.454 -7.203 -7.470 1.00 24.30 H new ATOM 0 HA PHE A 54 7.121 -7.445 -4.622 1.00 52.45 H new ATOM 0 HB2 PHE A 54 6.340 -5.395 -5.969 1.00 2.33 H new ATOM 0 HB3 PHE A 54 4.786 -6.196 -6.089 1.00 2.33 H new ATOM 0 HD1 PHE A 54 7.304 -5.524 -3.358 1.00 52.15 H new ATOM 0 HD2 PHE A 54 3.177 -5.436 -4.601 1.00 72.23 H new ATOM 0 HE1 PHE A 54 6.686 -4.397 -1.233 1.00 64.44 H new ATOM 0 HE2 PHE A 54 2.575 -4.282 -2.481 1.00 31.40 H new ATOM 0 HZ PHE A 54 4.325 -3.775 -0.798 1.00 52.12 H new ATOM 841 N THR A 55 6.014 -9.743 -4.529 1.00 24.11 N ATOM 842 CA THR A 55 5.266 -10.966 -4.229 1.00 24.02 C ATOM 843 C THR A 55 4.686 -10.928 -2.804 1.00 50.13 C ATOM 844 O THR A 55 4.949 -9.976 -2.065 1.00 22.44 O ATOM 845 CB THR A 55 6.158 -12.185 -4.519 1.00 54.54 C ATOM 846 OG1 THR A 55 7.278 -12.254 -3.660 1.00 71.44 O ATOM 847 CG2 THR A 55 6.724 -12.163 -5.945 1.00 71.02 C ATOM 0 H THR A 55 7.002 -9.799 -4.284 1.00 24.11 H new ATOM 0 HA THR A 55 4.395 -11.048 -4.879 1.00 24.02 H new ATOM 0 HB THR A 55 5.501 -13.042 -4.369 1.00 54.54 H new ATOM 0 HG1 THR A 55 7.306 -13.134 -3.229 1.00 71.44 H new ATOM 0 HG21 THR A 55 7.347 -13.043 -6.103 1.00 71.02 H new ATOM 0 HG22 THR A 55 5.903 -12.166 -6.662 1.00 71.02 H new ATOM 0 HG23 THR A 55 7.324 -11.264 -6.084 1.00 71.02 H new ATOM 855 N LYS A 56 3.902 -11.936 -2.387 1.00 70.02 N ATOM 856 CA LYS A 56 3.280 -11.969 -1.062 1.00 2.54 C ATOM 857 C LYS A 56 4.300 -11.846 0.065 1.00 63.24 C ATOM 858 O LYS A 56 4.033 -11.166 1.052 1.00 44.22 O ATOM 859 CB LYS A 56 2.503 -13.271 -0.861 1.00 44.33 C ATOM 860 CG LYS A 56 1.240 -13.406 -1.717 1.00 2.24 C ATOM 861 CD LYS A 56 0.295 -14.437 -1.087 1.00 5.33 C ATOM 862 CE LYS A 56 -1.029 -14.546 -1.844 1.00 11.20 C ATOM 863 NZ LYS A 56 -0.904 -15.356 -3.070 1.00 30.11 N ATOM 0 H LYS A 56 3.684 -12.749 -2.963 1.00 70.02 H new ATOM 0 HA LYS A 56 2.609 -11.111 -1.022 1.00 2.54 H new ATOM 0 HB2 LYS A 56 3.164 -14.109 -1.080 1.00 44.33 H new ATOM 0 HB3 LYS A 56 2.223 -13.352 0.189 1.00 44.33 H new ATOM 0 HG2 LYS A 56 0.739 -12.441 -1.798 1.00 2.24 H new ATOM 0 HG3 LYS A 56 1.506 -13.713 -2.729 1.00 2.24 H new ATOM 0 HD2 LYS A 56 0.783 -15.412 -1.070 1.00 5.33 H new ATOM 0 HD3 LYS A 56 0.098 -14.161 -0.051 1.00 5.33 H new ATOM 0 HE2 LYS A 56 -1.783 -14.989 -1.193 1.00 11.20 H new ATOM 0 HE3 LYS A 56 -1.380 -13.547 -2.104 1.00 11.20 H new ATOM 0 HZ1 LYS A 56 -1.825 -15.403 -3.551 1.00 30.11 H new ATOM 0 HZ2 LYS A 56 -0.204 -14.920 -3.704 1.00 30.11 H new ATOM 0 HZ3 LYS A 56 -0.594 -16.317 -2.821 1.00 30.11 H new ATOM 877 N GLU A 57 5.482 -12.435 -0.127 1.00 25.12 N ATOM 878 CA GLU A 57 6.604 -12.413 0.810 1.00 3.20 C ATOM 879 C GLU A 57 7.033 -10.981 1.156 1.00 31.44 C ATOM 880 O GLU A 57 7.733 -10.758 2.141 1.00 2.13 O ATOM 881 CB GLU A 57 7.811 -13.104 0.160 1.00 25.20 C ATOM 882 CG GLU A 57 7.682 -14.600 -0.172 1.00 73.31 C ATOM 883 CD GLU A 57 6.607 -14.964 -1.200 1.00 53.25 C ATOM 884 OE1 GLU A 57 6.511 -14.272 -2.240 1.00 61.33 O ATOM 885 OE2 GLU A 57 5.836 -15.918 -0.948 1.00 34.22 O ATOM 0 H GLU A 57 5.691 -12.962 -0.975 1.00 25.12 H new ATOM 0 HA GLU A 57 6.281 -12.920 1.719 1.00 3.20 H new ATOM 0 HB2 GLU A 57 8.044 -12.574 -0.763 1.00 25.20 H new ATOM 0 HB3 GLU A 57 8.667 -12.980 0.824 1.00 25.20 H new ATOM 0 HG2 GLU A 57 8.645 -14.956 -0.539 1.00 73.31 H new ATOM 0 HG3 GLU A 57 7.473 -15.141 0.751 1.00 73.31 H new ATOM 892 N LYS A 58 6.669 -10.025 0.302 1.00 12.51 N ATOM 893 CA LYS A 58 7.131 -8.647 0.280 1.00 54.13 C ATOM 894 C LYS A 58 5.957 -7.689 0.477 1.00 45.42 C ATOM 895 O LYS A 58 6.149 -6.493 0.331 1.00 65.21 O ATOM 896 CB LYS A 58 7.852 -8.354 -1.055 1.00 3.40 C ATOM 897 CG LYS A 58 8.741 -9.517 -1.525 1.00 31.44 C ATOM 898 CD LYS A 58 9.554 -9.198 -2.776 1.00 51.55 C ATOM 899 CE LYS A 58 10.134 -10.507 -3.315 1.00 31.10 C ATOM 900 NZ LYS A 58 10.696 -10.372 -4.671 1.00 64.12 N ATOM 0 H LYS A 58 5.997 -10.211 -0.442 1.00 12.51 H new ATOM 0 HA LYS A 58 7.835 -8.498 1.098 1.00 54.13 H new ATOM 0 HB2 LYS A 58 7.109 -8.138 -1.823 1.00 3.40 H new ATOM 0 HB3 LYS A 58 8.464 -7.459 -0.943 1.00 3.40 H new ATOM 0 HG2 LYS A 58 9.422 -9.791 -0.719 1.00 31.44 H new ATOM 0 HG3 LYS A 58 8.114 -10.386 -1.722 1.00 31.44 H new ATOM 0 HD2 LYS A 58 8.924 -8.723 -3.528 1.00 51.55 H new ATOM 0 HD3 LYS A 58 10.354 -8.496 -2.541 1.00 51.55 H new ATOM 0 HE2 LYS A 58 10.913 -10.859 -2.638 1.00 31.10 H new ATOM 0 HE3 LYS A 58 9.353 -11.267 -3.325 1.00 31.10 H new ATOM 0 HZ1 LYS A 58 10.887 -11.316 -5.063 1.00 64.12 H new ATOM 0 HZ2 LYS A 58 10.016 -9.875 -5.281 1.00 64.12 H new ATOM 0 HZ3 LYS A 58 11.582 -9.830 -4.627 1.00 64.12 H new ATOM 914 N TRP A 59 4.754 -8.191 0.753 1.00 4.21 N ATOM 915 CA TRP A 59 3.517 -7.438 0.967 1.00 21.43 C ATOM 916 C TRP A 59 3.402 -7.063 2.451 1.00 53.43 C ATOM 917 O TRP A 59 2.917 -7.910 3.210 1.00 42.53 O ATOM 918 CB TRP A 59 2.290 -8.246 0.481 1.00 54.45 C ATOM 919 CG TRP A 59 0.950 -7.562 0.622 1.00 13.54 C ATOM 920 CD1 TRP A 59 0.135 -7.626 1.706 1.00 45.41 C ATOM 921 CD2 TRP A 59 0.326 -6.593 -0.278 1.00 73.04 C ATOM 922 NE1 TRP A 59 -0.925 -6.753 1.547 1.00 74.24 N ATOM 923 CE2 TRP A 59 -0.853 -6.079 0.344 1.00 65.22 C ATOM 924 CE3 TRP A 59 0.701 -6.022 -1.514 1.00 2.22 C ATOM 925 CZ2 TRP A 59 -1.600 -5.032 -0.221 1.00 14.13 C ATOM 926 CZ3 TRP A 59 -0.018 -4.938 -2.056 1.00 61.33 C ATOM 927 CH2 TRP A 59 -1.148 -4.444 -1.403 1.00 44.15 C ATOM 0 H TRP A 59 4.607 -9.197 0.839 1.00 4.21 H new ATOM 0 HA TRP A 59 3.543 -6.520 0.380 1.00 21.43 H new ATOM 0 HB2 TRP A 59 2.438 -8.498 -0.569 1.00 54.45 H new ATOM 0 HB3 TRP A 59 2.256 -9.185 1.033 1.00 54.45 H new ATOM 0 HD1 TRP A 59 0.291 -8.263 2.564 1.00 45.41 H new ATOM 0 HE1 TRP A 59 -1.668 -6.623 2.233 1.00 74.24 H new ATOM 0 HE3 TRP A 59 1.549 -6.421 -2.050 1.00 2.22 H new ATOM 0 HZ2 TRP A 59 -2.508 -4.688 0.251 1.00 14.13 H new ATOM 0 HZ3 TRP A 59 0.307 -4.487 -2.982 1.00 61.33 H new ATOM 0 HH2 TRP A 59 -1.678 -3.599 -1.816 1.00 44.15 H new ATOM 938 N PRO A 60 3.945 -5.930 2.946 1.00 32.10 N ATOM 939 CA PRO A 60 3.633 -5.495 4.299 1.00 52.45 C ATOM 940 C PRO A 60 2.112 -5.312 4.464 1.00 52.44 C ATOM 941 O PRO A 60 1.420 -4.847 3.549 1.00 53.52 O ATOM 942 CB PRO A 60 4.431 -4.212 4.543 1.00 2.50 C ATOM 943 CG PRO A 60 4.593 -3.632 3.147 1.00 63.05 C ATOM 944 CD PRO A 60 4.691 -4.876 2.268 1.00 34.10 C ATOM 0 HA PRO A 60 3.916 -6.236 5.046 1.00 52.45 H new ATOM 0 HB2 PRO A 60 3.900 -3.527 5.204 1.00 2.50 H new ATOM 0 HB3 PRO A 60 5.395 -4.420 5.007 1.00 2.50 H new ATOM 0 HG2 PRO A 60 3.745 -3.007 2.869 1.00 63.05 H new ATOM 0 HG3 PRO A 60 5.486 -3.011 3.069 1.00 63.05 H new ATOM 0 HD2 PRO A 60 4.276 -4.684 1.278 1.00 34.10 H new ATOM 0 HD3 PRO A 60 5.731 -5.168 2.126 1.00 34.10 H new ATOM 952 N LEU A 61 1.582 -5.714 5.617 1.00 71.33 N ATOM 953 CA LEU A 61 0.216 -5.421 6.059 1.00 42.25 C ATOM 954 C LEU A 61 0.190 -3.972 6.558 1.00 24.22 C ATOM 955 O LEU A 61 1.193 -3.512 7.104 1.00 62.24 O ATOM 956 CB LEU A 61 -0.168 -6.397 7.190 1.00 13.34 C ATOM 957 CG LEU A 61 -0.506 -7.822 6.700 1.00 24.21 C ATOM 958 CD1 LEU A 61 -0.521 -8.811 7.865 1.00 44.32 C ATOM 959 CD2 LEU A 61 -1.851 -7.912 5.984 1.00 1.00 C ATOM 0 H LEU A 61 2.106 -6.270 6.292 1.00 71.33 H new ATOM 0 HA LEU A 61 -0.500 -5.542 5.246 1.00 42.25 H new ATOM 0 HB2 LEU A 61 0.655 -6.454 7.902 1.00 13.34 H new ATOM 0 HB3 LEU A 61 -1.027 -5.995 7.727 1.00 13.34 H new ATOM 0 HG LEU A 61 0.279 -8.075 5.987 1.00 24.21 H new ATOM 0 HD11 LEU A 61 -0.762 -9.807 7.494 1.00 44.32 H new ATOM 0 HD12 LEU A 61 0.460 -8.828 8.340 1.00 44.32 H new ATOM 0 HD13 LEU A 61 -1.272 -8.504 8.593 1.00 44.32 H new ATOM 0 HD21 LEU A 61 -2.026 -8.940 5.666 1.00 1.00 H new ATOM 0 HD22 LEU A 61 -2.646 -7.602 6.662 1.00 1.00 H new ATOM 0 HD23 LEU A 61 -1.843 -7.259 5.111 1.00 1.00 H new ATOM 971 N LEU A 62 -0.933 -3.260 6.397 1.00 2.44 N ATOM 972 CA LEU A 62 -1.089 -1.860 6.840 1.00 33.33 C ATOM 973 C LEU A 62 -2.279 -1.773 7.791 1.00 52.12 C ATOM 974 O LEU A 62 -3.301 -2.430 7.556 1.00 2.03 O ATOM 975 CB LEU A 62 -1.350 -0.850 5.692 1.00 31.21 C ATOM 976 CG LEU A 62 -0.809 -1.193 4.302 1.00 50.22 C ATOM 977 CD1 LEU A 62 -1.338 -0.230 3.233 1.00 61.04 C ATOM 978 CD2 LEU A 62 0.717 -1.195 4.231 1.00 1.34 C ATOM 0 H LEU A 62 -1.769 -3.639 5.952 1.00 2.44 H new ATOM 0 HA LEU A 62 -0.142 -1.590 7.308 1.00 33.33 H new ATOM 0 HB2 LEU A 62 -2.428 -0.711 5.607 1.00 31.21 H new ATOM 0 HB3 LEU A 62 -0.927 0.110 5.988 1.00 31.21 H new ATOM 0 HG LEU A 62 -1.166 -2.204 4.107 1.00 50.22 H new ATOM 0 HD11 LEU A 62 -0.931 -0.507 2.260 1.00 61.04 H new ATOM 0 HD12 LEU A 62 -2.426 -0.285 3.200 1.00 61.04 H new ATOM 0 HD13 LEU A 62 -1.033 0.788 3.477 1.00 61.04 H new ATOM 0 HD21 LEU A 62 1.034 -1.446 3.219 1.00 1.34 H new ATOM 0 HD22 LEU A 62 1.095 -0.207 4.495 1.00 1.34 H new ATOM 0 HD23 LEU A 62 1.113 -1.933 4.928 1.00 1.34 H new ATOM 990 N ASP A 63 -2.203 -0.931 8.815 1.00 23.30 N ATOM 991 CA ASP A 63 -3.368 -0.520 9.607 1.00 5.30 C ATOM 992 C ASP A 63 -3.979 0.715 8.946 1.00 10.31 C ATOM 993 O ASP A 63 -3.586 1.159 7.864 1.00 13.40 O ATOM 994 CB ASP A 63 -2.933 -0.209 11.055 1.00 50.33 C ATOM 995 CG ASP A 63 -3.979 -0.313 12.180 1.00 23.42 C ATOM 996 OD1 ASP A 63 -5.196 -0.175 11.935 1.00 30.13 O ATOM 997 OD2 ASP A 63 -3.582 -0.520 13.353 1.00 2.23 O ATOM 0 H ASP A 63 -1.328 -0.509 9.125 1.00 23.30 H new ATOM 0 HA ASP A 63 -4.108 -1.319 9.644 1.00 5.30 H new ATOM 0 HB2 ASP A 63 -2.111 -0.880 11.305 1.00 50.33 H new ATOM 0 HB3 ASP A 63 -2.532 0.804 11.069 1.00 50.33 H new ATOM 1002 N SER A 64 -4.933 1.307 9.645 1.00 63.53 N ATOM 1003 CA SER A 64 -5.700 2.487 9.271 1.00 1.21 C ATOM 1004 C SER A 64 -4.811 3.738 9.102 1.00 50.12 C ATOM 1005 O SER A 64 -5.325 4.771 8.691 1.00 74.14 O ATOM 1006 CB SER A 64 -6.778 2.682 10.356 1.00 11.34 C ATOM 1007 OG SER A 64 -8.025 3.191 9.895 1.00 23.22 O ATOM 0 H SER A 64 -5.214 0.949 10.558 1.00 63.53 H new ATOM 0 HA SER A 64 -6.163 2.342 8.295 1.00 1.21 H new ATOM 0 HB2 SER A 64 -6.955 1.724 10.845 1.00 11.34 H new ATOM 0 HB3 SER A 64 -6.387 3.360 11.115 1.00 11.34 H new ATOM 0 HG SER A 64 -8.642 3.279 10.651 1.00 23.22 H new ATOM 1013 N GLU A 65 -3.503 3.689 9.382 1.00 42.41 N ATOM 1014 CA GLU A 65 -2.528 4.767 9.164 1.00 23.22 C ATOM 1015 C GLU A 65 -2.552 5.309 7.727 1.00 72.45 C ATOM 1016 O GLU A 65 -2.431 6.516 7.504 1.00 43.44 O ATOM 1017 CB GLU A 65 -1.115 4.288 9.545 1.00 74.11 C ATOM 1018 CG GLU A 65 -0.720 2.914 8.969 1.00 74.33 C ATOM 1019 CD GLU A 65 0.797 2.712 8.919 1.00 53.42 C ATOM 1020 OE1 GLU A 65 1.430 3.249 7.973 1.00 52.34 O ATOM 1021 OE2 GLU A 65 1.358 1.977 9.760 1.00 12.13 O ATOM 0 H GLU A 65 -3.074 2.857 9.786 1.00 42.41 H new ATOM 0 HA GLU A 65 -2.814 5.596 9.811 1.00 23.22 H new ATOM 0 HB2 GLU A 65 -0.392 5.030 9.206 1.00 74.11 H new ATOM 0 HB3 GLU A 65 -1.042 4.245 10.632 1.00 74.11 H new ATOM 0 HG2 GLU A 65 -1.168 2.127 9.576 1.00 74.33 H new ATOM 0 HG3 GLU A 65 -1.130 2.814 7.964 1.00 74.33 H new ATOM 1028 N THR A 66 -2.786 4.431 6.755 1.00 25.12 N ATOM 1029 CA THR A 66 -2.921 4.724 5.329 1.00 10.30 C ATOM 1030 C THR A 66 -4.271 5.396 4.999 1.00 11.04 C ATOM 1031 O THR A 66 -4.647 5.558 3.841 1.00 10.24 O ATOM 1032 CB THR A 66 -2.773 3.393 4.574 1.00 72.21 C ATOM 1033 OG1 THR A 66 -1.867 2.515 5.217 1.00 2.21 O ATOM 1034 CG2 THR A 66 -2.275 3.577 3.146 1.00 54.11 C ATOM 0 H THR A 66 -2.893 3.436 6.953 1.00 25.12 H new ATOM 0 HA THR A 66 -2.151 5.433 5.025 1.00 10.30 H new ATOM 0 HB THR A 66 -3.778 2.970 4.565 1.00 72.21 H new ATOM 0 HG1 THR A 66 -2.332 1.688 5.464 1.00 2.21 H new ATOM 0 HG21 THR A 66 -2.190 2.604 2.662 1.00 54.11 H new ATOM 0 HG22 THR A 66 -2.980 4.197 2.592 1.00 54.11 H new ATOM 0 HG23 THR A 66 -1.299 4.062 3.161 1.00 54.11 H new ATOM 1042 N MET A 67 -5.057 5.711 6.024 1.00 30.42 N ATOM 1043 CA MET A 67 -6.408 6.253 5.980 1.00 1.23 C ATOM 1044 C MET A 67 -6.569 7.339 7.062 1.00 65.22 C ATOM 1045 O MET A 67 -7.660 7.524 7.616 1.00 34.30 O ATOM 1046 CB MET A 67 -7.393 5.074 6.124 1.00 50.12 C ATOM 1047 CG MET A 67 -8.794 5.367 5.571 1.00 53.35 C ATOM 1048 SD MET A 67 -8.880 5.883 3.829 1.00 74.51 S ATOM 1049 CE MET A 67 -7.929 4.568 3.029 1.00 72.44 C ATOM 0 H MET A 67 -4.738 5.583 6.984 1.00 30.42 H new ATOM 0 HA MET A 67 -6.620 6.748 5.033 1.00 1.23 H new ATOM 0 HB2 MET A 67 -6.983 4.205 5.609 1.00 50.12 H new ATOM 0 HB3 MET A 67 -7.477 4.809 7.178 1.00 50.12 H new ATOM 0 HG2 MET A 67 -9.404 4.472 5.693 1.00 53.35 H new ATOM 0 HG3 MET A 67 -9.247 6.148 6.182 1.00 53.35 H new ATOM 0 HE1 MET A 67 -8.348 4.364 2.043 1.00 72.44 H new ATOM 0 HE2 MET A 67 -6.891 4.882 2.924 1.00 72.44 H new ATOM 0 HE3 MET A 67 -7.975 3.664 3.637 1.00 72.44 H new ATOM 1059 N LYS A 68 -5.475 8.032 7.415 1.00 43.04 N ATOM 1060 CA LYS A 68 -5.468 9.181 8.325 1.00 73.33 C ATOM 1061 C LYS A 68 -5.134 10.430 7.527 1.00 74.24 C ATOM 1062 O LYS A 68 -4.220 10.399 6.711 1.00 61.11 O ATOM 1063 CB LYS A 68 -4.464 8.984 9.481 1.00 45.23 C ATOM 1064 CG LYS A 68 -5.107 8.446 10.768 1.00 45.12 C ATOM 1065 CD LYS A 68 -5.617 7.016 10.626 1.00 45.11 C ATOM 1066 CE LYS A 68 -6.508 6.588 11.784 1.00 64.51 C ATOM 1067 NZ LYS A 68 -5.754 5.925 12.864 1.00 72.23 N ATOM 0 H LYS A 68 -4.546 7.799 7.064 1.00 43.04 H new ATOM 0 HA LYS A 68 -6.454 9.283 8.778 1.00 73.33 H new ATOM 0 HB2 LYS A 68 -3.683 8.295 9.159 1.00 45.23 H new ATOM 0 HB3 LYS A 68 -3.980 9.936 9.697 1.00 45.23 H new ATOM 0 HG2 LYS A 68 -4.377 8.487 11.577 1.00 45.12 H new ATOM 0 HG3 LYS A 68 -5.935 9.095 11.053 1.00 45.12 H new ATOM 0 HD2 LYS A 68 -6.173 6.925 9.693 1.00 45.11 H new ATOM 0 HD3 LYS A 68 -4.767 6.337 10.558 1.00 45.11 H new ATOM 0 HE2 LYS A 68 -7.019 7.462 12.187 1.00 64.51 H new ATOM 0 HE3 LYS A 68 -7.278 5.911 11.414 1.00 64.51 H new ATOM 0 HZ1 LYS A 68 -6.407 5.654 13.627 1.00 72.23 H new ATOM 0 HZ2 LYS A 68 -5.287 5.075 12.490 1.00 72.23 H new ATOM 0 HZ3 LYS A 68 -5.036 6.578 13.238 1.00 72.23 H new ATOM 1081 N GLU A 69 -5.832 11.531 7.785 1.00 54.44 N ATOM 1082 CA GLU A 69 -5.652 12.782 7.070 1.00 63.23 C ATOM 1083 C GLU A 69 -5.257 13.865 8.064 1.00 61.51 C ATOM 1084 O GLU A 69 -6.102 14.513 8.695 1.00 73.54 O ATOM 1085 CB GLU A 69 -6.892 13.129 6.255 1.00 11.22 C ATOM 1086 CG GLU A 69 -7.042 12.189 5.052 1.00 14.24 C ATOM 1087 CD GLU A 69 -8.451 12.074 4.476 1.00 33.20 C ATOM 1088 OE1 GLU A 69 -9.382 12.811 4.873 1.00 42.11 O ATOM 1089 OE2 GLU A 69 -8.634 11.207 3.592 1.00 65.35 O ATOM 0 H GLU A 69 -6.549 11.576 8.509 1.00 54.44 H new ATOM 0 HA GLU A 69 -4.845 12.690 6.343 1.00 63.23 H new ATOM 0 HB2 GLU A 69 -7.777 13.060 6.887 1.00 11.22 H new ATOM 0 HB3 GLU A 69 -6.827 14.160 5.909 1.00 11.22 H new ATOM 0 HG2 GLU A 69 -6.373 12.530 4.262 1.00 14.24 H new ATOM 0 HG3 GLU A 69 -6.707 11.195 5.347 1.00 14.24 H new ATOM 1096 N GLU A 70 -3.945 14.016 8.211 1.00 14.20 N ATOM 1097 CA GLU A 70 -3.292 14.947 9.126 1.00 0.40 C ATOM 1098 C GLU A 70 -2.101 15.605 8.418 1.00 2.31 C ATOM 1099 O GLU A 70 -1.549 15.061 7.461 1.00 2.41 O ATOM 1100 CB GLU A 70 -2.843 14.207 10.400 1.00 20.54 C ATOM 1101 CG GLU A 70 -2.303 15.145 11.491 1.00 35.11 C ATOM 1102 CD GLU A 70 -2.837 14.886 12.900 1.00 20.51 C ATOM 1103 OE1 GLU A 70 -2.359 13.949 13.581 1.00 63.12 O ATOM 1104 OE2 GLU A 70 -3.696 15.671 13.378 1.00 51.43 O ATOM 0 H GLU A 70 -3.276 13.467 7.670 1.00 14.20 H new ATOM 0 HA GLU A 70 -3.994 15.727 9.422 1.00 0.40 H new ATOM 0 HB2 GLU A 70 -3.686 13.643 10.800 1.00 20.54 H new ATOM 0 HB3 GLU A 70 -2.071 13.483 10.138 1.00 20.54 H new ATOM 0 HG2 GLU A 70 -1.216 15.063 11.512 1.00 35.11 H new ATOM 0 HG3 GLU A 70 -2.540 16.172 11.214 1.00 35.11 H new ATOM 1111 N ARG A 71 -1.689 16.769 8.922 1.00 52.42 N ATOM 1112 CA ARG A 71 -0.684 17.665 8.365 1.00 1.31 C ATOM 1113 C ARG A 71 0.265 18.104 9.484 1.00 15.01 C ATOM 1114 O ARG A 71 -0.002 19.069 10.202 1.00 43.21 O ATOM 1115 CB ARG A 71 -1.389 18.852 7.679 1.00 13.14 C ATOM 1116 CG ARG A 71 -0.435 19.674 6.810 1.00 12.40 C ATOM 1117 CD ARG A 71 -0.209 21.064 7.386 1.00 74.13 C ATOM 1118 NE ARG A 71 -1.017 22.117 6.739 1.00 23.40 N ATOM 1119 CZ ARG A 71 -0.832 23.427 6.956 1.00 75.11 C ATOM 1120 NH1 ARG A 71 -0.201 23.846 8.046 1.00 43.04 N ATOM 1121 NH2 ARG A 71 -1.278 24.340 6.103 1.00 44.02 N ATOM 0 H ARG A 71 -2.079 17.133 9.792 1.00 52.42 H new ATOM 0 HA ARG A 71 -0.084 17.163 7.606 1.00 1.31 H new ATOM 0 HB2 ARG A 71 -2.207 18.478 7.063 1.00 13.14 H new ATOM 0 HB3 ARG A 71 -1.831 19.497 8.439 1.00 13.14 H new ATOM 0 HG2 ARG A 71 0.520 19.155 6.726 1.00 12.40 H new ATOM 0 HG3 ARG A 71 -0.842 19.759 5.802 1.00 12.40 H new ATOM 0 HD2 ARG A 71 -0.438 21.047 8.452 1.00 74.13 H new ATOM 0 HD3 ARG A 71 0.846 21.319 7.291 1.00 74.13 H new ATOM 0 HE ARG A 71 -1.754 21.833 6.094 1.00 23.40 H new ATOM 0 HH11 ARG A 71 0.147 23.170 8.726 1.00 43.04 H new ATOM 0 HH12 ARG A 71 -0.064 24.844 8.204 1.00 43.04 H new ATOM 0 HH21 ARG A 71 -1.774 24.051 5.260 1.00 44.02 H new ATOM 0 HH22 ARG A 71 -1.125 25.331 6.290 1.00 44.02 H new ATOM 1135 N ILE A 72 1.336 17.349 9.685 1.00 15.31 N ATOM 1136 CA ILE A 72 2.373 17.598 10.674 1.00 12.03 C ATOM 1137 C ILE A 72 3.324 18.652 10.092 1.00 13.13 C ATOM 1138 O ILE A 72 3.527 18.702 8.883 1.00 3.32 O ATOM 1139 CB ILE A 72 3.089 16.263 11.000 1.00 74.45 C ATOM 1140 CG1 ILE A 72 2.102 15.115 11.355 1.00 1.42 C ATOM 1141 CG2 ILE A 72 4.064 16.465 12.167 1.00 12.30 C ATOM 1142 CD1 ILE A 72 1.697 14.221 10.174 1.00 24.43 C ATOM 0 H ILE A 72 1.513 16.507 9.137 1.00 15.31 H new ATOM 0 HA ILE A 72 1.966 17.979 11.610 1.00 12.03 H new ATOM 0 HB ILE A 72 3.624 15.967 10.097 1.00 74.45 H new ATOM 0 HG12 ILE A 72 2.555 14.491 12.125 1.00 1.42 H new ATOM 0 HG13 ILE A 72 1.201 15.551 11.787 1.00 1.42 H new ATOM 0 HG21 ILE A 72 4.564 15.523 12.391 1.00 12.30 H new ATOM 0 HG22 ILE A 72 4.807 17.214 11.895 1.00 12.30 H new ATOM 0 HG23 ILE A 72 3.515 16.802 13.046 1.00 12.30 H new ATOM 0 HD11 ILE A 72 1.008 13.451 10.520 1.00 24.43 H new ATOM 0 HD12 ILE A 72 1.210 14.826 9.410 1.00 24.43 H new ATOM 0 HD13 ILE A 72 2.585 13.750 9.753 1.00 24.43 H new ATOM 1154 N THR A 73 3.928 19.490 10.931 1.00 34.31 N ATOM 1155 CA THR A 73 4.790 20.590 10.527 1.00 51.40 C ATOM 1156 C THR A 73 6.040 20.523 11.418 1.00 12.11 C ATOM 1157 O THR A 73 5.941 20.610 12.644 1.00 22.34 O ATOM 1158 CB THR A 73 3.924 21.871 10.556 1.00 21.11 C ATOM 1159 OG1 THR A 73 4.437 22.959 9.815 1.00 32.43 O ATOM 1160 CG2 THR A 73 3.524 22.392 11.933 1.00 51.22 C ATOM 0 H THR A 73 3.825 19.417 11.943 1.00 34.31 H new ATOM 0 HA THR A 73 5.183 20.557 9.511 1.00 51.40 H new ATOM 0 HB THR A 73 3.028 21.487 10.069 1.00 21.11 H new ATOM 0 HG1 THR A 73 3.826 23.722 9.888 1.00 32.43 H new ATOM 0 HG21 THR A 73 2.920 23.292 11.820 1.00 51.22 H new ATOM 0 HG22 THR A 73 2.946 21.630 12.456 1.00 51.22 H new ATOM 0 HG23 THR A 73 4.420 22.626 12.508 1.00 51.22 H new ATOM 1168 N GLN A 74 7.194 20.222 10.816 1.00 62.21 N ATOM 1169 CA GLN A 74 8.460 19.974 11.484 1.00 41.43 C ATOM 1170 C GLN A 74 9.539 20.817 10.835 1.00 43.11 C ATOM 1171 O GLN A 74 9.723 20.825 9.619 1.00 52.40 O ATOM 1172 CB GLN A 74 8.859 18.495 11.404 1.00 31.23 C ATOM 1173 CG GLN A 74 7.694 17.607 11.826 1.00 23.50 C ATOM 1174 CD GLN A 74 8.069 16.142 12.053 1.00 31.50 C ATOM 1175 OE1 GLN A 74 9.116 15.829 12.625 1.00 55.05 O ATOM 1176 NE2 GLN A 74 7.219 15.214 11.637 1.00 55.11 N ATOM 0 H GLN A 74 7.267 20.143 9.802 1.00 62.21 H new ATOM 0 HA GLN A 74 8.347 20.239 12.535 1.00 41.43 H new ATOM 0 HB2 GLN A 74 9.163 18.248 10.387 1.00 31.23 H new ATOM 0 HB3 GLN A 74 9.719 18.308 12.048 1.00 31.23 H new ATOM 0 HG2 GLN A 74 7.263 18.006 12.744 1.00 23.50 H new ATOM 0 HG3 GLN A 74 6.919 17.657 11.061 1.00 23.50 H new ATOM 0 HE21 GLN A 74 6.357 15.487 11.165 1.00 55.11 H new ATOM 0 HE22 GLN A 74 7.427 14.227 11.789 1.00 55.11 H new ATOM 1185 N GLU A 75 10.292 21.490 11.683 1.00 72.10 N ATOM 1186 CA GLU A 75 11.372 22.390 11.276 1.00 75.10 C ATOM 1187 C GLU A 75 12.667 21.608 10.976 1.00 4.33 C ATOM 1188 O GLU A 75 13.652 22.175 10.501 1.00 53.22 O ATOM 1189 CB GLU A 75 11.588 23.446 12.370 1.00 71.02 C ATOM 1190 CG GLU A 75 10.366 24.356 12.597 1.00 40.00 C ATOM 1191 CD GLU A 75 10.034 25.282 11.418 1.00 73.24 C ATOM 1192 OE1 GLU A 75 9.274 24.874 10.512 1.00 54.40 O ATOM 1193 OE2 GLU A 75 10.475 26.458 11.424 1.00 71.40 O ATOM 0 H GLU A 75 10.174 21.431 12.694 1.00 72.10 H new ATOM 0 HA GLU A 75 11.090 22.894 10.352 1.00 75.10 H new ATOM 0 HB2 GLU A 75 11.835 22.943 13.305 1.00 71.02 H new ATOM 0 HB3 GLU A 75 12.446 24.063 12.103 1.00 71.02 H new ATOM 0 HG2 GLU A 75 9.498 23.731 12.808 1.00 40.00 H new ATOM 0 HG3 GLU A 75 10.543 24.966 13.483 1.00 40.00 H new ATOM 1200 N GLU A 76 12.688 20.295 11.222 1.00 51.44 N ATOM 1201 CA GLU A 76 13.829 19.404 10.994 1.00 55.23 C ATOM 1202 C GLU A 76 13.665 18.557 9.723 1.00 53.41 C ATOM 1203 O GLU A 76 14.553 17.754 9.415 1.00 73.10 O ATOM 1204 CB GLU A 76 14.103 18.569 12.259 1.00 21.01 C ATOM 1205 CG GLU A 76 14.839 19.420 13.306 1.00 21.12 C ATOM 1206 CD GLU A 76 15.054 18.688 14.632 1.00 71.33 C ATOM 1207 OE1 GLU A 76 15.580 17.552 14.649 1.00 20.11 O ATOM 1208 OE2 GLU A 76 14.772 19.289 15.695 1.00 33.12 O ATOM 0 H GLU A 76 11.878 19.804 11.601 1.00 51.44 H new ATOM 0 HA GLU A 76 14.714 20.012 10.807 1.00 55.23 H new ATOM 0 HB2 GLU A 76 13.163 18.203 12.673 1.00 21.01 H new ATOM 0 HB3 GLU A 76 14.702 17.695 12.004 1.00 21.01 H new ATOM 0 HG2 GLU A 76 15.806 19.723 12.904 1.00 21.12 H new ATOM 0 HG3 GLU A 76 14.270 20.332 13.489 1.00 21.12 H new ATOM 1215 N GLY A 77 12.603 18.770 8.935 1.00 40.11 N ATOM 1216 CA GLY A 77 12.473 18.111 7.641 1.00 33.13 C ATOM 1217 C GLY A 77 11.372 18.644 6.729 1.00 51.22 C ATOM 1218 O GLY A 77 11.493 18.464 5.516 1.00 2.11 O ATOM 0 H GLY A 77 11.829 19.390 9.174 1.00 40.11 H new ATOM 0 HA2 GLY A 77 13.425 18.193 7.116 1.00 33.13 H new ATOM 0 HA3 GLY A 77 12.294 17.049 7.812 1.00 33.13 H new ATOM 1222 N GLY A 78 10.340 19.317 7.246 1.00 0.13 N ATOM 1223 CA GLY A 78 9.300 19.922 6.425 1.00 74.13 C ATOM 1224 C GLY A 78 7.902 19.640 6.964 1.00 22.21 C ATOM 1225 O GLY A 78 7.730 19.169 8.094 1.00 60.40 O ATOM 0 H GLY A 78 10.207 19.455 8.248 1.00 0.13 H new ATOM 0 HA2 GLY A 78 9.458 20.999 6.377 1.00 74.13 H new ATOM 0 HA3 GLY A 78 9.378 19.543 5.406 1.00 74.13 H new ATOM 1229 N ILE A 79 6.882 19.939 6.159 1.00 34.04 N ATOM 1230 CA ILE A 79 5.504 19.588 6.473 1.00 42.23 C ATOM 1231 C ILE A 79 5.272 18.144 6.060 1.00 42.45 C ATOM 1232 O ILE A 79 5.172 17.878 4.874 1.00 3.11 O ATOM 1233 CB ILE A 79 4.512 20.615 5.867 1.00 41.40 C ATOM 1234 CG1 ILE A 79 4.795 22.014 6.454 1.00 12.52 C ATOM 1235 CG2 ILE A 79 3.056 20.213 6.125 1.00 54.15 C ATOM 1236 CD1 ILE A 79 3.731 23.095 6.219 1.00 61.44 C ATOM 0 H ILE A 79 6.992 20.431 5.272 1.00 34.04 H new ATOM 0 HA ILE A 79 5.316 19.645 7.545 1.00 42.23 H new ATOM 0 HB ILE A 79 4.658 20.636 4.787 1.00 41.40 H new ATOM 0 HG12 ILE A 79 4.939 21.908 7.529 1.00 12.52 H new ATOM 0 HG13 ILE A 79 5.738 22.371 6.040 1.00 12.52 H new ATOM 0 HG21 ILE A 79 2.390 20.956 5.686 1.00 54.15 H new ATOM 0 HG22 ILE A 79 2.862 19.240 5.674 1.00 54.15 H new ATOM 0 HG23 ILE A 79 2.879 20.157 7.199 1.00 54.15 H new ATOM 0 HD11 ILE A 79 4.052 24.028 6.682 1.00 61.44 H new ATOM 0 HD12 ILE A 79 3.598 23.248 5.148 1.00 61.44 H new ATOM 0 HD13 ILE A 79 2.786 22.778 6.660 1.00 61.44 H new ATOM 1248 N TYR A 80 5.265 17.201 6.999 1.00 40.11 N ATOM 1249 CA TYR A 80 4.924 15.812 6.721 1.00 22.02 C ATOM 1250 C TYR A 80 3.402 15.712 6.705 1.00 43.31 C ATOM 1251 O TYR A 80 2.763 16.055 7.696 1.00 12.04 O ATOM 1252 CB TYR A 80 5.510 14.894 7.799 1.00 64.23 C ATOM 1253 CG TYR A 80 5.730 13.485 7.300 1.00 71.32 C ATOM 1254 CD1 TYR A 80 4.635 12.625 7.089 1.00 51.33 C ATOM 1255 CD2 TYR A 80 7.034 13.033 7.039 1.00 71.21 C ATOM 1256 CE1 TYR A 80 4.846 11.314 6.634 1.00 10.31 C ATOM 1257 CE2 TYR A 80 7.257 11.720 6.600 1.00 11.21 C ATOM 1258 CZ TYR A 80 6.161 10.856 6.397 1.00 5.44 C ATOM 1259 OH TYR A 80 6.365 9.582 5.977 1.00 42.52 O ATOM 0 H TYR A 80 5.497 17.381 7.976 1.00 40.11 H new ATOM 0 HA TYR A 80 5.338 15.499 5.762 1.00 22.02 H new ATOM 0 HB2 TYR A 80 6.458 15.305 8.146 1.00 64.23 H new ATOM 0 HB3 TYR A 80 4.838 14.872 8.657 1.00 64.23 H new ATOM 0 HD1 TYR A 80 3.631 12.975 7.278 1.00 51.33 H new ATOM 0 HD2 TYR A 80 7.871 13.701 7.177 1.00 71.21 H new ATOM 0 HE1 TYR A 80 4.005 10.657 6.466 1.00 10.31 H new ATOM 0 HE2 TYR A 80 8.263 11.372 6.418 1.00 11.21 H new ATOM 0 HH TYR A 80 7.325 9.426 5.860 1.00 42.52 H new ATOM 1269 N VAL A 81 2.782 15.286 5.611 1.00 1.41 N ATOM 1270 CA VAL A 81 1.332 15.304 5.498 1.00 75.43 C ATOM 1271 C VAL A 81 0.834 14.123 4.674 1.00 70.44 C ATOM 1272 O VAL A 81 1.504 13.660 3.752 1.00 25.31 O ATOM 1273 CB VAL A 81 0.871 16.703 5.072 1.00 64.13 C ATOM 1274 CG1 VAL A 81 1.645 17.384 3.964 1.00 35.20 C ATOM 1275 CG2 VAL A 81 -0.608 16.815 4.694 1.00 43.35 C ATOM 0 H VAL A 81 3.264 14.923 4.788 1.00 1.41 H new ATOM 0 HA VAL A 81 0.851 15.141 6.463 1.00 75.43 H new ATOM 0 HB VAL A 81 1.077 17.222 6.008 1.00 64.13 H new ATOM 0 HG11 VAL A 81 1.211 18.364 3.766 1.00 35.20 H new ATOM 0 HG12 VAL A 81 2.685 17.503 4.267 1.00 35.20 H new ATOM 0 HG13 VAL A 81 1.597 16.777 3.060 1.00 35.20 H new ATOM 0 HG21 VAL A 81 -0.834 17.842 4.408 1.00 43.35 H new ATOM 0 HG22 VAL A 81 -0.821 16.150 3.857 1.00 43.35 H new ATOM 0 HG23 VAL A 81 -1.224 16.532 5.548 1.00 43.35 H new ATOM 1285 N SER A 82 -0.359 13.648 5.020 1.00 72.31 N ATOM 1286 CA SER A 82 -1.027 12.514 4.412 1.00 70.13 C ATOM 1287 C SER A 82 -2.402 13.000 3.971 1.00 33.30 C ATOM 1288 O SER A 82 -3.254 13.247 4.826 1.00 63.24 O ATOM 1289 CB SER A 82 -1.149 11.373 5.438 1.00 23.50 C ATOM 1290 OG SER A 82 0.082 11.031 6.048 1.00 41.11 O ATOM 0 H SER A 82 -0.909 14.068 5.770 1.00 72.31 H new ATOM 0 HA SER A 82 -0.469 12.128 3.559 1.00 70.13 H new ATOM 0 HB2 SER A 82 -1.860 11.664 6.211 1.00 23.50 H new ATOM 0 HB3 SER A 82 -1.558 10.492 4.944 1.00 23.50 H new ATOM 0 HG SER A 82 -0.061 10.304 6.689 1.00 41.11 H new ATOM 1296 N LYS A 83 -2.632 13.226 2.671 1.00 25.34 N ATOM 1297 CA LYS A 83 -3.970 13.517 2.154 1.00 71.13 C ATOM 1298 C LYS A 83 -4.087 13.010 0.725 1.00 14.21 C ATOM 1299 O LYS A 83 -3.111 13.003 -0.025 1.00 31.11 O ATOM 1300 CB LYS A 83 -4.298 15.020 2.126 1.00 44.33 C ATOM 1301 CG LYS A 83 -4.015 15.803 3.409 1.00 23.34 C ATOM 1302 CD LYS A 83 -4.291 17.300 3.244 1.00 32.43 C ATOM 1303 CE LYS A 83 -3.129 18.112 2.640 1.00 53.13 C ATOM 1304 NZ LYS A 83 -2.982 18.055 1.164 1.00 0.54 N ATOM 0 H LYS A 83 -1.903 13.212 1.957 1.00 25.34 H new ATOM 0 HA LYS A 83 -4.667 13.020 2.829 1.00 71.13 H new ATOM 0 HB2 LYS A 83 -3.732 15.478 1.315 1.00 44.33 H new ATOM 0 HB3 LYS A 83 -5.354 15.134 1.882 1.00 44.33 H new ATOM 0 HG2 LYS A 83 -4.631 15.408 4.217 1.00 23.34 H new ATOM 0 HG3 LYS A 83 -2.975 15.657 3.700 1.00 23.34 H new ATOM 0 HD2 LYS A 83 -5.170 17.425 2.611 1.00 32.43 H new ATOM 0 HD3 LYS A 83 -4.539 17.718 4.219 1.00 32.43 H new ATOM 0 HE2 LYS A 83 -3.253 19.155 2.931 1.00 53.13 H new ATOM 0 HE3 LYS A 83 -2.199 17.764 3.090 1.00 53.13 H new ATOM 0 HZ1 LYS A 83 -2.448 18.885 0.836 1.00 0.54 H new ATOM 0 HZ2 LYS A 83 -2.472 17.188 0.899 1.00 0.54 H new ATOM 0 HZ3 LYS A 83 -3.923 18.052 0.721 1.00 0.54 H new ATOM 1318 N PHE A 84 -5.308 12.693 0.312 1.00 65.41 N ATOM 1319 CA PHE A 84 -5.677 12.384 -1.056 1.00 3.23 C ATOM 1320 C PHE A 84 -5.178 13.446 -2.036 1.00 72.35 C ATOM 1321 O PHE A 84 -5.046 14.631 -1.711 1.00 30.32 O ATOM 1322 CB PHE A 84 -7.207 12.237 -1.145 1.00 74.41 C ATOM 1323 CG PHE A 84 -8.009 13.313 -0.419 1.00 23.12 C ATOM 1324 CD1 PHE A 84 -8.072 14.631 -0.914 1.00 72.12 C ATOM 1325 CD2 PHE A 84 -8.651 13.004 0.796 1.00 23.50 C ATOM 1326 CE1 PHE A 84 -8.734 15.632 -0.180 1.00 72.12 C ATOM 1327 CE2 PHE A 84 -9.336 13.998 1.515 1.00 14.21 C ATOM 1328 CZ PHE A 84 -9.365 15.319 1.036 1.00 30.44 C ATOM 0 H PHE A 84 -6.100 12.643 0.953 1.00 65.41 H new ATOM 0 HA PHE A 84 -5.200 11.446 -1.338 1.00 3.23 H new ATOM 0 HB2 PHE A 84 -7.495 12.240 -2.196 1.00 74.41 H new ATOM 0 HB3 PHE A 84 -7.486 11.264 -0.740 1.00 74.41 H new ATOM 0 HD1 PHE A 84 -7.611 14.873 -1.860 1.00 72.12 H new ATOM 0 HD2 PHE A 84 -8.616 11.994 1.178 1.00 23.50 H new ATOM 0 HE1 PHE A 84 -8.757 16.645 -0.553 1.00 72.12 H new ATOM 0 HE2 PHE A 84 -9.841 13.747 2.436 1.00 14.21 H new ATOM 0 HZ PHE A 84 -9.870 16.090 1.600 1.00 30.44 H new ATOM 1338 N THR A 85 -4.984 13.009 -3.278 1.00 1.33 N ATOM 1339 CA THR A 85 -4.817 13.899 -4.425 1.00 24.21 C ATOM 1340 C THR A 85 -5.778 13.574 -5.591 1.00 53.12 C ATOM 1341 O THR A 85 -5.651 14.149 -6.671 1.00 42.55 O ATOM 1342 CB THR A 85 -3.319 13.981 -4.785 1.00 53.25 C ATOM 1343 OG1 THR A 85 -3.105 15.097 -5.620 1.00 34.23 O ATOM 1344 CG2 THR A 85 -2.809 12.700 -5.443 1.00 61.11 C ATOM 0 H THR A 85 -4.938 12.019 -3.519 1.00 1.33 H new ATOM 0 HA THR A 85 -5.127 14.909 -4.157 1.00 24.21 H new ATOM 0 HB THR A 85 -2.751 14.098 -3.862 1.00 53.25 H new ATOM 0 HG1 THR A 85 -3.879 15.219 -6.208 1.00 34.23 H new ATOM 0 HG21 THR A 85 -1.750 12.808 -5.677 1.00 61.11 H new ATOM 0 HG22 THR A 85 -2.946 11.861 -4.761 1.00 61.11 H new ATOM 0 HG23 THR A 85 -3.367 12.516 -6.361 1.00 61.11 H new ATOM 1352 N LEU A 86 -6.750 12.665 -5.409 1.00 50.23 N ATOM 1353 CA LEU A 86 -7.762 12.363 -6.423 1.00 71.05 C ATOM 1354 C LEU A 86 -9.076 12.020 -5.720 1.00 1.51 C ATOM 1355 O LEU A 86 -9.079 11.379 -4.667 1.00 25.11 O ATOM 1356 CB LEU A 86 -7.239 11.236 -7.336 1.00 2.23 C ATOM 1357 CG LEU A 86 -8.136 10.748 -8.493 1.00 45.12 C ATOM 1358 CD1 LEU A 86 -9.080 9.632 -8.037 1.00 70.42 C ATOM 1359 CD2 LEU A 86 -8.797 11.872 -9.298 1.00 73.44 C ATOM 0 H LEU A 86 -6.852 12.121 -4.552 1.00 50.23 H new ATOM 0 HA LEU A 86 -7.958 13.222 -7.065 1.00 71.05 H new ATOM 0 HB2 LEU A 86 -6.295 11.570 -7.767 1.00 2.23 H new ATOM 0 HB3 LEU A 86 -7.015 10.376 -6.705 1.00 2.23 H new ATOM 0 HG LEU A 86 -7.476 10.294 -9.232 1.00 45.12 H new ATOM 0 HD11 LEU A 86 -9.697 9.312 -8.876 1.00 70.42 H new ATOM 0 HD12 LEU A 86 -8.495 8.787 -7.673 1.00 70.42 H new ATOM 0 HD13 LEU A 86 -9.720 10.002 -7.236 1.00 70.42 H new ATOM 0 HD21 LEU A 86 -9.409 11.441 -10.090 1.00 73.44 H new ATOM 0 HD22 LEU A 86 -9.426 12.470 -8.639 1.00 73.44 H new ATOM 0 HD23 LEU A 86 -8.027 12.506 -9.738 1.00 73.44 H new ATOM 1371 N ASN A 87 -10.183 12.461 -6.318 1.00 31.22 N ATOM 1372 CA ASN A 87 -11.540 12.450 -5.778 1.00 73.05 C ATOM 1373 C ASN A 87 -12.523 12.027 -6.872 1.00 70.11 C ATOM 1374 O ASN A 87 -13.267 12.838 -7.425 1.00 43.31 O ATOM 1375 CB ASN A 87 -11.872 13.839 -5.218 1.00 30.23 C ATOM 1376 CG ASN A 87 -13.319 13.937 -4.751 1.00 14.44 C ATOM 1377 OD1 ASN A 87 -13.844 13.054 -4.084 1.00 61.13 O ATOM 1378 ND2 ASN A 87 -14.026 14.997 -5.115 1.00 65.21 N ATOM 0 H ASN A 87 -10.152 12.862 -7.255 1.00 31.22 H new ATOM 0 HA ASN A 87 -11.620 11.730 -4.964 1.00 73.05 H new ATOM 0 HB2 ASN A 87 -11.206 14.062 -4.384 1.00 30.23 H new ATOM 0 HB3 ASN A 87 -11.687 14.592 -5.984 1.00 30.23 H new ATOM 0 HD21 ASN A 87 -15.005 15.076 -4.840 1.00 65.21 H new ATOM 0 HD22 ASN A 87 -13.591 15.734 -5.670 1.00 65.21 H new ATOM 1385 N GLU A 88 -12.501 10.747 -7.220 1.00 24.30 N ATOM 1386 CA GLU A 88 -13.400 10.098 -8.169 1.00 53.35 C ATOM 1387 C GLU A 88 -14.451 9.291 -7.402 1.00 44.24 C ATOM 1388 O GLU A 88 -14.267 9.008 -6.220 1.00 70.04 O ATOM 1389 CB GLU A 88 -12.563 9.158 -9.043 1.00 71.02 C ATOM 1390 CG GLU A 88 -11.763 9.899 -10.117 1.00 70.14 C ATOM 1391 CD GLU A 88 -12.604 10.414 -11.286 1.00 72.21 C ATOM 1392 OE1 GLU A 88 -13.434 9.657 -11.847 1.00 53.14 O ATOM 1393 OE2 GLU A 88 -12.421 11.589 -11.681 1.00 30.32 O ATOM 0 H GLU A 88 -11.819 10.098 -6.827 1.00 24.30 H new ATOM 0 HA GLU A 88 -13.907 10.839 -8.787 1.00 53.35 H new ATOM 0 HB2 GLU A 88 -11.877 8.595 -8.410 1.00 71.02 H new ATOM 0 HB3 GLU A 88 -13.221 8.433 -9.522 1.00 71.02 H new ATOM 0 HG2 GLU A 88 -11.250 10.742 -9.654 1.00 70.14 H new ATOM 0 HG3 GLU A 88 -10.993 9.232 -10.505 1.00 70.14 H new ATOM 1400 N PRO A 89 -15.536 8.858 -8.053 1.00 70.13 N ATOM 1401 CA PRO A 89 -16.456 7.877 -7.499 1.00 54.34 C ATOM 1402 C PRO A 89 -15.794 6.510 -7.317 1.00 34.03 C ATOM 1403 O PRO A 89 -15.900 5.900 -6.249 1.00 10.41 O ATOM 1404 CB PRO A 89 -17.616 7.814 -8.496 1.00 30.23 C ATOM 1405 CG PRO A 89 -17.059 8.354 -9.808 1.00 43.42 C ATOM 1406 CD PRO A 89 -15.970 9.311 -9.358 1.00 53.51 C ATOM 0 HA PRO A 89 -16.792 8.161 -6.502 1.00 54.34 H new ATOM 0 HB2 PRO A 89 -17.976 6.792 -8.614 1.00 30.23 H new ATOM 0 HB3 PRO A 89 -18.460 8.412 -8.153 1.00 30.23 H new ATOM 0 HG2 PRO A 89 -16.660 7.556 -10.434 1.00 43.42 H new ATOM 0 HG3 PRO A 89 -17.826 8.863 -10.391 1.00 43.42 H new ATOM 0 HD2 PRO A 89 -15.139 9.313 -10.064 1.00 53.51 H new ATOM 0 HD3 PRO A 89 -16.348 10.332 -9.308 1.00 53.51 H new ATOM 1414 N LYS A 90 -15.152 6.002 -8.374 1.00 31.00 N ATOM 1415 CA LYS A 90 -14.751 4.598 -8.484 1.00 30.23 C ATOM 1416 C LYS A 90 -13.273 4.341 -8.160 1.00 3.50 C ATOM 1417 O LYS A 90 -12.820 3.199 -8.207 1.00 33.12 O ATOM 1418 CB LYS A 90 -15.081 4.105 -9.904 1.00 22.21 C ATOM 1419 CG LYS A 90 -15.524 2.638 -9.911 1.00 41.35 C ATOM 1420 CD LYS A 90 -17.034 2.443 -10.078 1.00 62.31 C ATOM 1421 CE LYS A 90 -17.762 2.358 -8.729 1.00 34.03 C ATOM 1422 NZ LYS A 90 -19.221 2.234 -8.918 1.00 50.51 N ATOM 0 H LYS A 90 -14.894 6.562 -9.186 1.00 31.00 H new ATOM 0 HA LYS A 90 -15.311 4.042 -7.733 1.00 30.23 H new ATOM 0 HB2 LYS A 90 -15.871 4.725 -10.329 1.00 22.21 H new ATOM 0 HB3 LYS A 90 -14.205 4.223 -10.542 1.00 22.21 H new ATOM 0 HG2 LYS A 90 -15.010 2.118 -10.719 1.00 41.35 H new ATOM 0 HG3 LYS A 90 -15.209 2.170 -8.979 1.00 41.35 H new ATOM 0 HD2 LYS A 90 -17.443 3.270 -10.658 1.00 62.31 H new ATOM 0 HD3 LYS A 90 -17.220 1.532 -10.647 1.00 62.31 H new ATOM 0 HE2 LYS A 90 -17.391 1.502 -8.166 1.00 34.03 H new ATOM 0 HE3 LYS A 90 -17.543 3.247 -8.138 1.00 34.03 H new ATOM 0 HZ1 LYS A 90 -19.688 2.178 -7.990 1.00 50.51 H new ATOM 0 HZ2 LYS A 90 -19.576 3.064 -9.435 1.00 50.51 H new ATOM 0 HZ3 LYS A 90 -19.429 1.372 -9.462 1.00 50.51 H new ATOM 1436 N HIS A 91 -12.516 5.388 -7.846 1.00 4.32 N ATOM 1437 CA HIS A 91 -11.067 5.386 -7.739 1.00 74.31 C ATOM 1438 C HIS A 91 -10.717 6.315 -6.582 1.00 21.04 C ATOM 1439 O HIS A 91 -11.450 7.269 -6.299 1.00 54.42 O ATOM 1440 CB HIS A 91 -10.519 5.854 -9.096 1.00 31.42 C ATOM 1441 CG HIS A 91 -9.025 5.919 -9.251 1.00 10.41 C ATOM 1442 ND1 HIS A 91 -8.376 6.586 -10.264 1.00 24.32 N ATOM 1443 CD2 HIS A 91 -8.079 5.243 -8.530 1.00 44.22 C ATOM 1444 CE1 HIS A 91 -7.069 6.310 -10.160 1.00 5.50 C ATOM 1445 NE2 HIS A 91 -6.847 5.501 -9.117 1.00 24.33 N ATOM 0 H HIS A 91 -12.920 6.304 -7.650 1.00 4.32 H new ATOM 0 HA HIS A 91 -10.629 4.410 -7.528 1.00 74.31 H new ATOM 0 HB2 HIS A 91 -10.909 5.188 -9.865 1.00 31.42 H new ATOM 0 HB3 HIS A 91 -10.923 6.846 -9.299 1.00 31.42 H new ATOM 0 HD1 HIS A 91 -8.811 7.183 -10.967 1.00 24.32 H new ATOM 0 HD2 HIS A 91 -8.257 4.623 -7.664 1.00 44.22 H new ATOM 0 HE1 HIS A 91 -6.304 6.686 -10.823 1.00 5.50 H new ATOM 1453 N LYS A 92 -9.630 6.031 -5.868 1.00 3.42 N ATOM 1454 CA LYS A 92 -9.094 6.933 -4.860 1.00 43.25 C ATOM 1455 C LYS A 92 -7.612 6.684 -4.690 1.00 44.31 C ATOM 1456 O LYS A 92 -7.154 5.537 -4.708 1.00 31.30 O ATOM 1457 CB LYS A 92 -9.849 6.800 -3.533 1.00 73.04 C ATOM 1458 CG LYS A 92 -9.960 5.383 -2.951 1.00 71.02 C ATOM 1459 CD LYS A 92 -11.131 5.284 -1.966 1.00 73.15 C ATOM 1460 CE LYS A 92 -12.469 5.106 -2.695 1.00 14.34 C ATOM 1461 NZ LYS A 92 -13.613 5.476 -1.838 1.00 45.01 N ATOM 0 H LYS A 92 -9.098 5.167 -5.975 1.00 3.42 H new ATOM 0 HA LYS A 92 -9.234 7.960 -5.197 1.00 43.25 H new ATOM 0 HB2 LYS A 92 -9.358 7.435 -2.795 1.00 73.04 H new ATOM 0 HB3 LYS A 92 -10.856 7.192 -3.672 1.00 73.04 H new ATOM 0 HG2 LYS A 92 -10.098 4.664 -3.759 1.00 71.02 H new ATOM 0 HG3 LYS A 92 -9.031 5.120 -2.445 1.00 71.02 H new ATOM 0 HD2 LYS A 92 -10.969 4.444 -1.291 1.00 73.15 H new ATOM 0 HD3 LYS A 92 -11.168 6.184 -1.352 1.00 73.15 H new ATOM 0 HE2 LYS A 92 -12.476 5.719 -3.596 1.00 14.34 H new ATOM 0 HE3 LYS A 92 -12.574 4.069 -3.014 1.00 14.34 H new ATOM 0 HZ1 LYS A 92 -14.499 5.342 -2.365 1.00 45.01 H new ATOM 0 HZ2 LYS A 92 -13.621 4.874 -0.990 1.00 45.01 H new ATOM 0 HZ3 LYS A 92 -13.526 6.473 -1.554 1.00 45.01 H new ATOM 1475 N ILE A 93 -6.867 7.767 -4.515 1.00 54.33 N ATOM 1476 CA ILE A 93 -5.422 7.762 -4.402 1.00 22.12 C ATOM 1477 C ILE A 93 -5.105 8.431 -3.070 1.00 73.04 C ATOM 1478 O ILE A 93 -5.737 9.422 -2.688 1.00 1.14 O ATOM 1479 CB ILE A 93 -4.808 8.455 -5.634 1.00 50.54 C ATOM 1480 CG1 ILE A 93 -4.965 7.558 -6.884 1.00 25.42 C ATOM 1481 CG2 ILE A 93 -3.316 8.749 -5.448 1.00 72.12 C ATOM 1482 CD1 ILE A 93 -5.212 8.335 -8.172 1.00 41.32 C ATOM 0 H ILE A 93 -7.269 8.702 -4.446 1.00 54.33 H new ATOM 0 HA ILE A 93 -4.985 6.763 -4.398 1.00 22.12 H new ATOM 0 HB ILE A 93 -5.341 9.397 -5.761 1.00 50.54 H new ATOM 0 HG12 ILE A 93 -4.065 6.954 -7.002 1.00 25.42 H new ATOM 0 HG13 ILE A 93 -5.793 6.868 -6.723 1.00 25.42 H new ATOM 0 HG21 ILE A 93 -2.927 9.237 -6.342 1.00 72.12 H new ATOM 0 HG22 ILE A 93 -3.179 9.404 -4.588 1.00 72.12 H new ATOM 0 HG23 ILE A 93 -2.779 7.815 -5.282 1.00 72.12 H new ATOM 0 HD11 ILE A 93 -5.311 7.638 -9.004 1.00 41.32 H new ATOM 0 HD12 ILE A 93 -6.128 8.918 -8.075 1.00 41.32 H new ATOM 0 HD13 ILE A 93 -4.373 9.006 -8.359 1.00 41.32 H new ATOM 1494 N PHE A 94 -4.126 7.873 -2.370 1.00 30.40 N ATOM 1495 CA PHE A 94 -3.603 8.360 -1.112 1.00 62.34 C ATOM 1496 C PHE A 94 -2.106 8.526 -1.374 1.00 73.42 C ATOM 1497 O PHE A 94 -1.440 7.615 -1.879 1.00 1.21 O ATOM 1498 CB PHE A 94 -3.969 7.375 0.015 1.00 62.12 C ATOM 1499 CG PHE A 94 -3.744 7.891 1.428 1.00 12.54 C ATOM 1500 CD1 PHE A 94 -2.433 7.959 1.929 1.00 42.11 C ATOM 1501 CD2 PHE A 94 -4.827 8.255 2.263 1.00 65.13 C ATOM 1502 CE1 PHE A 94 -2.197 8.351 3.257 1.00 70.15 C ATOM 1503 CE2 PHE A 94 -4.583 8.695 3.581 1.00 12.12 C ATOM 1504 CZ PHE A 94 -3.272 8.710 4.079 1.00 13.34 C ATOM 0 H PHE A 94 -3.655 7.025 -2.686 1.00 30.40 H new ATOM 0 HA PHE A 94 -4.019 9.309 -0.773 1.00 62.34 H new ATOM 0 HB2 PHE A 94 -5.019 7.101 -0.091 1.00 62.12 H new ATOM 0 HB3 PHE A 94 -3.386 6.463 -0.118 1.00 62.12 H new ATOM 0 HD1 PHE A 94 -1.601 7.708 1.288 1.00 42.11 H new ATOM 0 HD2 PHE A 94 -5.839 8.196 1.892 1.00 65.13 H new ATOM 0 HE1 PHE A 94 -1.189 8.375 3.643 1.00 70.15 H new ATOM 0 HE2 PHE A 94 -5.403 9.019 4.204 1.00 12.12 H new ATOM 0 HZ PHE A 94 -3.091 9.000 5.103 1.00 13.34 H new ATOM 1514 N GLU A 95 -1.608 9.735 -1.167 1.00 24.04 N ATOM 1515 CA GLU A 95 -0.198 10.110 -1.239 1.00 72.12 C ATOM 1516 C GLU A 95 0.097 10.689 0.157 1.00 41.45 C ATOM 1517 O GLU A 95 -0.729 11.421 0.716 1.00 63.41 O ATOM 1518 CB GLU A 95 -0.039 11.034 -2.467 1.00 43.34 C ATOM 1519 CG GLU A 95 -0.428 12.512 -2.314 1.00 64.24 C ATOM 1520 CD GLU A 95 0.566 13.369 -1.521 1.00 64.43 C ATOM 1521 OE1 GLU A 95 1.682 12.898 -1.190 1.00 50.25 O ATOM 1522 OE2 GLU A 95 0.251 14.565 -1.313 1.00 51.31 O ATOM 0 H GLU A 95 -2.207 10.527 -0.931 1.00 24.04 H new ATOM 0 HA GLU A 95 0.537 9.324 -1.415 1.00 72.12 H new ATOM 0 HB2 GLU A 95 1.004 10.994 -2.782 1.00 43.34 H new ATOM 0 HB3 GLU A 95 -0.633 10.615 -3.279 1.00 43.34 H new ATOM 0 HG2 GLU A 95 -0.545 12.945 -3.307 1.00 64.24 H new ATOM 0 HG3 GLU A 95 -1.401 12.567 -1.826 1.00 64.24 H new ATOM 1529 N ALA A 96 1.199 10.270 0.774 1.00 31.31 N ATOM 1530 CA ALA A 96 1.753 10.900 1.960 1.00 21.31 C ATOM 1531 C ALA A 96 3.266 11.083 1.823 1.00 32.03 C ATOM 1532 O ALA A 96 3.961 10.277 1.186 1.00 61.04 O ATOM 1533 CB ALA A 96 1.404 10.062 3.187 1.00 24.23 C ATOM 0 H ALA A 96 1.740 9.467 0.454 1.00 31.31 H new ATOM 0 HA ALA A 96 1.318 11.892 2.077 1.00 21.31 H new ATOM 0 HB1 ALA A 96 1.818 10.532 4.079 1.00 24.23 H new ATOM 0 HB2 ALA A 96 0.321 9.992 3.284 1.00 24.23 H new ATOM 0 HB3 ALA A 96 1.823 9.062 3.076 1.00 24.23 H new ATOM 1539 N GLY A 97 3.797 12.125 2.455 1.00 71.34 N ATOM 1540 CA GLY A 97 5.199 12.494 2.371 1.00 2.32 C ATOM 1541 C GLY A 97 5.394 13.939 2.807 1.00 30.00 C ATOM 1542 O GLY A 97 4.495 14.555 3.388 1.00 74.35 O ATOM 0 H GLY A 97 3.250 12.747 3.051 1.00 71.34 H new ATOM 0 HA2 GLY A 97 5.794 11.834 3.002 1.00 2.32 H new ATOM 0 HA3 GLY A 97 5.555 12.365 1.349 1.00 2.32 H new ATOM 1546 N TYR A 98 6.589 14.473 2.570 1.00 10.14 N ATOM 1547 CA TYR A 98 6.877 15.869 2.838 1.00 22.30 C ATOM 1548 C TYR A 98 6.262 16.752 1.754 1.00 71.34 C ATOM 1549 O TYR A 98 6.488 16.532 0.565 1.00 10.34 O ATOM 1550 CB TYR A 98 8.389 16.084 2.950 1.00 62.13 C ATOM 1551 CG TYR A 98 8.930 15.842 4.344 1.00 43.24 C ATOM 1552 CD1 TYR A 98 8.394 16.584 5.410 1.00 73.34 C ATOM 1553 CD2 TYR A 98 9.965 14.918 4.586 1.00 34.20 C ATOM 1554 CE1 TYR A 98 8.856 16.399 6.718 1.00 72.14 C ATOM 1555 CE2 TYR A 98 10.457 14.744 5.895 1.00 41.32 C ATOM 1556 CZ TYR A 98 9.912 15.496 6.965 1.00 43.25 C ATOM 1557 OH TYR A 98 10.392 15.372 8.229 1.00 32.22 O ATOM 0 H TYR A 98 7.377 13.950 2.189 1.00 10.14 H new ATOM 0 HA TYR A 98 6.429 16.152 3.791 1.00 22.30 H new ATOM 0 HB2 TYR A 98 8.896 15.418 2.251 1.00 62.13 H new ATOM 0 HB3 TYR A 98 8.627 17.104 2.648 1.00 62.13 H new ATOM 0 HD1 TYR A 98 7.615 17.307 5.217 1.00 73.34 H new ATOM 0 HD2 TYR A 98 10.380 14.344 3.771 1.00 34.20 H new ATOM 0 HE1 TYR A 98 8.407 16.945 7.534 1.00 72.14 H new ATOM 0 HE2 TYR A 98 11.251 14.036 6.083 1.00 41.32 H new ATOM 0 HH TYR A 98 11.116 14.712 8.241 1.00 32.22 H new ATOM 1567 N GLU A 99 5.547 17.803 2.159 1.00 60.03 N ATOM 1568 CA GLU A 99 4.750 18.663 1.280 1.00 53.31 C ATOM 1569 C GLU A 99 5.617 19.474 0.309 1.00 15.43 C ATOM 1570 O GLU A 99 5.111 20.070 -0.642 1.00 35.24 O ATOM 1571 CB GLU A 99 3.914 19.604 2.166 1.00 13.10 C ATOM 1572 CG GLU A 99 2.441 19.726 1.768 1.00 43.43 C ATOM 1573 CD GLU A 99 2.124 20.740 0.683 1.00 55.45 C ATOM 1574 OE1 GLU A 99 2.295 21.955 0.952 1.00 60.02 O ATOM 1575 OE2 GLU A 99 1.439 20.347 -0.291 1.00 75.32 O ATOM 0 H GLU A 99 5.505 18.089 3.137 1.00 60.03 H new ATOM 0 HA GLU A 99 4.107 18.034 0.664 1.00 53.31 H new ATOM 0 HB2 GLU A 99 3.969 19.253 3.196 1.00 13.10 H new ATOM 0 HB3 GLU A 99 4.365 20.596 2.143 1.00 13.10 H new ATOM 0 HG2 GLU A 99 2.093 18.748 1.436 1.00 43.43 H new ATOM 0 HG3 GLU A 99 1.866 19.984 2.657 1.00 43.43 H new ATOM 1582 N GLU A 100 6.928 19.510 0.547 1.00 42.51 N ATOM 1583 CA GLU A 100 7.908 20.123 -0.330 1.00 44.21 C ATOM 1584 C GLU A 100 9.137 19.225 -0.495 1.00 75.22 C ATOM 1585 O GLU A 100 10.259 19.716 -0.637 1.00 54.10 O ATOM 1586 CB GLU A 100 8.183 21.584 0.078 1.00 1.35 C ATOM 1587 CG GLU A 100 8.674 21.827 1.516 1.00 53.53 C ATOM 1588 CD GLU A 100 8.634 23.319 1.889 1.00 51.33 C ATOM 1589 OE1 GLU A 100 7.627 24.017 1.598 1.00 60.31 O ATOM 1590 OE2 GLU A 100 9.564 23.812 2.564 1.00 54.31 O ATOM 0 H GLU A 100 7.343 19.099 1.383 1.00 42.51 H new ATOM 0 HA GLU A 100 7.503 20.204 -1.339 1.00 44.21 H new ATOM 0 HB2 GLU A 100 8.926 21.993 -0.607 1.00 1.35 H new ATOM 0 HB3 GLU A 100 7.266 22.155 -0.068 1.00 1.35 H new ATOM 0 HG2 GLU A 100 8.054 21.262 2.212 1.00 53.53 H new ATOM 0 HG3 GLU A 100 9.693 21.453 1.620 1.00 53.53 H new ATOM 1597 N SER A 101 8.951 17.900 -0.508 1.00 44.24 N ATOM 1598 CA SER A 101 9.975 16.925 -0.872 1.00 23.41 C ATOM 1599 C SER A 101 9.338 15.653 -1.455 1.00 51.22 C ATOM 1600 O SER A 101 8.173 15.684 -1.861 1.00 63.25 O ATOM 1601 CB SER A 101 10.907 16.705 0.333 1.00 51.43 C ATOM 1602 OG SER A 101 11.877 17.738 0.287 1.00 14.45 O ATOM 0 H SER A 101 8.060 17.470 -0.259 1.00 44.24 H new ATOM 0 HA SER A 101 10.605 17.299 -1.679 1.00 23.41 H new ATOM 0 HB2 SER A 101 10.347 16.740 1.268 1.00 51.43 H new ATOM 0 HB3 SER A 101 11.382 15.725 0.282 1.00 51.43 H new ATOM 0 HG SER A 101 11.468 18.555 -0.068 1.00 14.45 H new ATOM 1608 N GLU A 102 10.149 14.604 -1.615 1.00 62.02 N ATOM 1609 CA GLU A 102 9.774 13.298 -2.147 1.00 45.45 C ATOM 1610 C GLU A 102 8.728 12.622 -1.266 1.00 32.44 C ATOM 1611 O GLU A 102 8.654 12.848 -0.051 1.00 10.22 O ATOM 1612 CB GLU A 102 11.024 12.416 -2.272 1.00 45.42 C ATOM 1613 CG GLU A 102 11.499 12.219 -3.718 1.00 10.44 C ATOM 1614 CD GLU A 102 10.699 11.164 -4.494 1.00 14.34 C ATOM 1615 OE1 GLU A 102 9.452 11.127 -4.392 1.00 22.43 O ATOM 1616 OE2 GLU A 102 11.337 10.392 -5.250 1.00 44.24 O ATOM 0 H GLU A 102 11.136 14.649 -1.363 1.00 62.02 H new ATOM 0 HA GLU A 102 9.332 13.439 -3.133 1.00 45.45 H new ATOM 0 HB2 GLU A 102 11.832 12.862 -1.691 1.00 45.42 H new ATOM 0 HB3 GLU A 102 10.815 11.441 -1.832 1.00 45.42 H new ATOM 0 HG2 GLU A 102 11.434 13.171 -4.245 1.00 10.44 H new ATOM 0 HG3 GLU A 102 12.550 11.931 -3.709 1.00 10.44 H new ATOM 1623 N VAL A 103 7.969 11.718 -1.880 1.00 51.21 N ATOM 1624 CA VAL A 103 6.952 10.933 -1.199 1.00 23.22 C ATOM 1625 C VAL A 103 7.564 9.718 -0.503 1.00 65.05 C ATOM 1626 O VAL A 103 8.721 9.358 -0.734 1.00 73.35 O ATOM 1627 CB VAL A 103 5.865 10.512 -2.197 1.00 4.43 C ATOM 1628 CG1 VAL A 103 5.066 11.722 -2.693 1.00 10.41 C ATOM 1629 CG2 VAL A 103 6.406 9.703 -3.375 1.00 50.31 C ATOM 0 H VAL A 103 8.046 11.510 -2.876 1.00 51.21 H new ATOM 0 HA VAL A 103 6.495 11.551 -0.426 1.00 23.22 H new ATOM 0 HB VAL A 103 5.195 9.851 -1.647 1.00 4.43 H new ATOM 0 HG11 VAL A 103 4.304 11.390 -3.398 1.00 10.41 H new ATOM 0 HG12 VAL A 103 4.587 12.214 -1.846 1.00 10.41 H new ATOM 0 HG13 VAL A 103 5.738 12.424 -3.188 1.00 10.41 H new ATOM 0 HG21 VAL A 103 5.585 9.438 -4.042 1.00 50.31 H new ATOM 0 HG22 VAL A 103 7.138 10.299 -3.920 1.00 50.31 H new ATOM 0 HG23 VAL A 103 6.881 8.794 -3.005 1.00 50.31 H new ATOM 1639 N ASP A 104 6.757 9.063 0.330 1.00 42.32 N ATOM 1640 CA ASP A 104 7.171 7.929 1.163 1.00 24.03 C ATOM 1641 C ASP A 104 6.117 6.819 1.179 1.00 63.02 C ATOM 1642 O ASP A 104 6.441 5.664 1.453 1.00 63.12 O ATOM 1643 CB ASP A 104 7.401 8.462 2.574 1.00 10.20 C ATOM 1644 CG ASP A 104 8.010 7.408 3.495 1.00 63.11 C ATOM 1645 OD1 ASP A 104 9.149 6.962 3.249 1.00 12.52 O ATOM 1646 OD2 ASP A 104 7.418 7.153 4.567 1.00 34.01 O ATOM 0 H ASP A 104 5.774 9.310 0.449 1.00 42.32 H new ATOM 0 HA ASP A 104 8.081 7.488 0.756 1.00 24.03 H new ATOM 0 HB2 ASP A 104 8.060 9.329 2.530 1.00 10.20 H new ATOM 0 HB3 ASP A 104 6.453 8.803 2.991 1.00 10.20 H new ATOM 1651 N LEU A 105 4.871 7.149 0.811 1.00 11.12 N ATOM 1652 CA LEU A 105 3.752 6.208 0.707 1.00 2.50 C ATOM 1653 C LEU A 105 2.883 6.695 -0.440 1.00 44.35 C ATOM 1654 O LEU A 105 2.459 7.847 -0.455 1.00 5.13 O ATOM 1655 CB LEU A 105 2.960 6.094 2.036 1.00 4.50 C ATOM 1656 CG LEU A 105 1.637 5.277 1.983 1.00 62.31 C ATOM 1657 CD1 LEU A 105 0.477 6.076 1.375 1.00 72.43 C ATOM 1658 CD2 LEU A 105 1.854 3.862 1.446 1.00 64.03 C ATOM 0 H LEU A 105 4.609 8.105 0.571 1.00 11.12 H new ATOM 0 HA LEU A 105 4.114 5.199 0.511 1.00 2.50 H new ATOM 0 HB2 LEU A 105 3.611 5.642 2.784 1.00 4.50 H new ATOM 0 HB3 LEU A 105 2.727 7.101 2.382 1.00 4.50 H new ATOM 0 HG LEU A 105 1.299 5.105 3.005 1.00 62.31 H new ATOM 0 HD11 LEU A 105 -0.422 5.460 1.362 1.00 72.43 H new ATOM 0 HD12 LEU A 105 0.296 6.968 1.974 1.00 72.43 H new ATOM 0 HD13 LEU A 105 0.731 6.369 0.356 1.00 72.43 H new ATOM 0 HD21 LEU A 105 0.903 3.330 1.427 1.00 64.03 H new ATOM 0 HD22 LEU A 105 2.260 3.914 0.436 1.00 64.03 H new ATOM 0 HD23 LEU A 105 2.554 3.331 2.091 1.00 64.03 H new ATOM 1670 N ARG A 106 2.604 5.811 -1.392 1.00 53.15 N ATOM 1671 CA ARG A 106 1.634 5.983 -2.470 1.00 3.21 C ATOM 1672 C ARG A 106 0.788 4.718 -2.481 1.00 43.42 C ATOM 1673 O ARG A 106 1.335 3.612 -2.380 1.00 3.43 O ATOM 1674 CB ARG A 106 2.308 6.172 -3.844 1.00 25.33 C ATOM 1675 CG ARG A 106 3.386 7.265 -3.906 1.00 13.22 C ATOM 1676 CD ARG A 106 2.783 8.665 -3.801 1.00 4.23 C ATOM 1677 NE ARG A 106 2.150 9.077 -5.059 1.00 51.23 N ATOM 1678 CZ ARG A 106 2.678 9.842 -6.019 1.00 51.33 C ATOM 1679 NH1 ARG A 106 3.891 10.369 -5.893 1.00 21.23 N ATOM 1680 NH2 ARG A 106 1.967 10.083 -7.115 1.00 73.32 N ATOM 0 H ARG A 106 3.073 4.906 -1.435 1.00 53.15 H new ATOM 0 HA ARG A 106 1.041 6.881 -2.296 1.00 3.21 H new ATOM 0 HB2 ARG A 106 2.758 5.225 -4.142 1.00 25.33 H new ATOM 0 HB3 ARG A 106 1.537 6.404 -4.579 1.00 25.33 H new ATOM 0 HG2 ARG A 106 4.101 7.116 -3.097 1.00 13.22 H new ATOM 0 HG3 ARG A 106 3.939 7.177 -4.841 1.00 13.22 H new ATOM 0 HD2 ARG A 106 2.046 8.685 -2.999 1.00 4.23 H new ATOM 0 HD3 ARG A 106 3.563 9.379 -3.535 1.00 4.23 H new ATOM 0 HE ARG A 106 1.200 8.742 -5.219 1.00 51.23 H new ATOM 0 HH11 ARG A 106 4.439 10.193 -5.051 1.00 21.23 H new ATOM 0 HH12 ARG A 106 4.275 10.950 -6.638 1.00 21.23 H new ATOM 0 HH21 ARG A 106 1.033 9.686 -7.214 1.00 73.32 H new ATOM 0 HH22 ARG A 106 2.355 10.665 -7.857 1.00 73.32 H new ATOM 1694 N VAL A 107 -0.531 4.865 -2.570 1.00 1.11 N ATOM 1695 CA VAL A 107 -1.469 3.756 -2.654 1.00 53.12 C ATOM 1696 C VAL A 107 -2.603 4.176 -3.576 1.00 44.41 C ATOM 1697 O VAL A 107 -3.095 5.311 -3.509 1.00 2.33 O ATOM 1698 CB VAL A 107 -2.008 3.345 -1.263 1.00 43.44 C ATOM 1699 CG1 VAL A 107 -2.714 1.987 -1.365 1.00 70.01 C ATOM 1700 CG2 VAL A 107 -0.886 3.162 -0.249 1.00 11.12 C ATOM 0 H VAL A 107 -0.984 5.779 -2.586 1.00 1.11 H new ATOM 0 HA VAL A 107 -0.959 2.879 -3.052 1.00 53.12 H new ATOM 0 HB VAL A 107 -2.680 4.141 -0.941 1.00 43.44 H new ATOM 0 HG11 VAL A 107 -3.093 1.699 -0.384 1.00 70.01 H new ATOM 0 HG12 VAL A 107 -3.544 2.060 -2.068 1.00 70.01 H new ATOM 0 HG13 VAL A 107 -2.007 1.235 -1.716 1.00 70.01 H new ATOM 0 HG21 VAL A 107 -1.309 2.874 0.713 1.00 11.12 H new ATOM 0 HG22 VAL A 107 -0.207 2.383 -0.595 1.00 11.12 H new ATOM 0 HG23 VAL A 107 -0.339 4.098 -0.139 1.00 11.12 H new ATOM 1710 N GLU A 108 -3.064 3.244 -4.403 1.00 45.14 N ATOM 1711 CA GLU A 108 -4.123 3.453 -5.371 1.00 42.31 C ATOM 1712 C GLU A 108 -5.151 2.341 -5.177 1.00 71.04 C ATOM 1713 O GLU A 108 -4.787 1.160 -5.160 1.00 42.35 O ATOM 1714 CB GLU A 108 -3.512 3.468 -6.777 1.00 62.33 C ATOM 1715 CG GLU A 108 -4.499 3.950 -7.836 1.00 65.01 C ATOM 1716 CD GLU A 108 -3.840 4.204 -9.202 1.00 3.20 C ATOM 1717 OE1 GLU A 108 -3.223 5.274 -9.409 1.00 73.01 O ATOM 1718 OE2 GLU A 108 -3.953 3.352 -10.113 1.00 30.31 O ATOM 0 H GLU A 108 -2.696 2.293 -4.415 1.00 45.14 H new ATOM 0 HA GLU A 108 -4.628 4.409 -5.235 1.00 42.31 H new ATOM 0 HB2 GLU A 108 -2.634 4.114 -6.782 1.00 62.33 H new ATOM 0 HB3 GLU A 108 -3.171 2.465 -7.032 1.00 62.33 H new ATOM 0 HG2 GLU A 108 -5.289 3.208 -7.953 1.00 65.01 H new ATOM 0 HG3 GLU A 108 -4.973 4.869 -7.491 1.00 65.01 H new ATOM 1725 N PHE A 109 -6.424 2.695 -4.986 1.00 2.11 N ATOM 1726 CA PHE A 109 -7.509 1.752 -4.776 1.00 63.33 C ATOM 1727 C PHE A 109 -8.515 1.987 -5.897 1.00 34.43 C ATOM 1728 O PHE A 109 -9.124 3.059 -5.969 1.00 30.13 O ATOM 1729 CB PHE A 109 -8.160 1.990 -3.407 1.00 5.44 C ATOM 1730 CG PHE A 109 -7.259 1.862 -2.189 1.00 70.12 C ATOM 1731 CD1 PHE A 109 -6.522 0.688 -1.981 1.00 53.22 C ATOM 1732 CD2 PHE A 109 -7.169 2.901 -1.247 1.00 14.34 C ATOM 1733 CE1 PHE A 109 -5.713 0.546 -0.837 1.00 44.35 C ATOM 1734 CE2 PHE A 109 -6.361 2.769 -0.106 1.00 71.22 C ATOM 1735 CZ PHE A 109 -5.644 1.585 0.105 1.00 22.24 C ATOM 0 H PHE A 109 -6.729 3.668 -4.974 1.00 2.11 H new ATOM 0 HA PHE A 109 -7.147 0.724 -4.789 1.00 63.33 H new ATOM 0 HB2 PHE A 109 -8.593 2.990 -3.406 1.00 5.44 H new ATOM 0 HB3 PHE A 109 -8.984 1.286 -3.296 1.00 5.44 H new ATOM 0 HD1 PHE A 109 -6.575 -0.113 -2.703 1.00 53.22 H new ATOM 0 HD2 PHE A 109 -7.728 3.812 -1.402 1.00 14.34 H new ATOM 0 HE1 PHE A 109 -5.146 -0.361 -0.684 1.00 44.35 H new ATOM 0 HE2 PHE A 109 -6.293 3.578 0.606 1.00 71.22 H new ATOM 0 HZ PHE A 109 -5.038 1.471 0.992 1.00 22.24 H new ATOM 1745 N GLU A 110 -8.698 0.991 -6.759 1.00 10.51 N ATOM 1746 CA GLU A 110 -9.666 1.040 -7.846 1.00 53.41 C ATOM 1747 C GLU A 110 -10.644 -0.110 -7.690 1.00 2.54 C ATOM 1748 O GLU A 110 -10.262 -1.231 -7.335 1.00 61.13 O ATOM 1749 CB GLU A 110 -8.982 0.930 -9.218 1.00 31.32 C ATOM 1750 CG GLU A 110 -8.484 2.284 -9.733 1.00 24.43 C ATOM 1751 CD GLU A 110 -8.203 2.238 -11.238 1.00 34.40 C ATOM 1752 OE1 GLU A 110 -7.075 1.879 -11.649 1.00 22.00 O ATOM 1753 OE2 GLU A 110 -9.163 2.423 -12.023 1.00 44.13 O ATOM 0 H GLU A 110 -8.172 0.118 -6.720 1.00 10.51 H new ATOM 0 HA GLU A 110 -10.183 1.998 -7.798 1.00 53.41 H new ATOM 0 HB2 GLU A 110 -8.141 0.240 -9.147 1.00 31.32 H new ATOM 0 HB3 GLU A 110 -9.683 0.506 -9.937 1.00 31.32 H new ATOM 0 HG2 GLU A 110 -9.229 3.052 -9.523 1.00 24.43 H new ATOM 0 HG3 GLU A 110 -7.576 2.567 -9.200 1.00 24.43 H new ATOM 1760 N LEU A 111 -11.899 0.165 -8.022 1.00 54.35 N ATOM 1761 CA LEU A 111 -12.849 -0.878 -8.363 1.00 45.24 C ATOM 1762 C LEU A 111 -12.427 -1.440 -9.713 1.00 65.12 C ATOM 1763 O LEU A 111 -12.016 -0.697 -10.612 1.00 41.54 O ATOM 1764 CB LEU A 111 -14.256 -0.284 -8.412 1.00 72.41 C ATOM 1765 CG LEU A 111 -15.474 -1.235 -8.361 1.00 44.33 C ATOM 1766 CD1 LEU A 111 -16.152 -1.324 -9.715 1.00 73.33 C ATOM 1767 CD2 LEU A 111 -15.255 -2.616 -7.765 1.00 42.14 C ATOM 0 H LEU A 111 -12.281 1.110 -8.061 1.00 54.35 H new ATOM 0 HA LEU A 111 -12.861 -1.677 -7.622 1.00 45.24 H new ATOM 0 HB2 LEU A 111 -14.348 0.413 -7.579 1.00 72.41 H new ATOM 0 HB3 LEU A 111 -14.334 0.302 -9.328 1.00 72.41 H new ATOM 0 HG LEU A 111 -16.133 -0.757 -7.636 1.00 44.33 H new ATOM 0 HD11 LEU A 111 -17.005 -1.999 -9.651 1.00 73.33 H new ATOM 0 HD12 LEU A 111 -16.495 -0.334 -10.016 1.00 73.33 H new ATOM 0 HD13 LEU A 111 -15.444 -1.703 -10.452 1.00 73.33 H new ATOM 0 HD21 LEU A 111 -16.190 -3.176 -7.792 1.00 42.14 H new ATOM 0 HD22 LEU A 111 -14.498 -3.146 -8.343 1.00 42.14 H new ATOM 0 HD23 LEU A 111 -14.921 -2.518 -6.732 1.00 42.14 H new ATOM 1779 N GLN A 112 -12.501 -2.756 -9.847 1.00 65.31 N ATOM 1780 CA GLN A 112 -12.370 -3.415 -11.128 1.00 42.51 C ATOM 1781 C GLN A 112 -13.770 -3.746 -11.621 1.00 65.14 C ATOM 1782 O GLN A 112 -14.626 -4.116 -10.823 1.00 1.13 O ATOM 1783 CB GLN A 112 -11.543 -4.682 -10.962 1.00 45.31 C ATOM 1784 CG GLN A 112 -10.126 -4.373 -10.455 1.00 13.22 C ATOM 1785 CD GLN A 112 -9.319 -3.490 -11.403 1.00 2.52 C ATOM 1786 OE1 GLN A 112 -9.231 -3.750 -12.598 1.00 5.13 O ATOM 1787 NE2 GLN A 112 -8.638 -2.490 -10.873 1.00 23.22 N ATOM 0 H GLN A 112 -12.654 -3.394 -9.066 1.00 65.31 H new ATOM 0 HA GLN A 112 -11.866 -2.774 -11.851 1.00 42.51 H new ATOM 0 HB2 GLN A 112 -12.042 -5.353 -10.263 1.00 45.31 H new ATOM 0 HB3 GLN A 112 -11.482 -5.205 -11.917 1.00 45.31 H new ATOM 0 HG2 GLN A 112 -10.195 -3.882 -9.484 1.00 13.22 H new ATOM 0 HG3 GLN A 112 -9.591 -5.310 -10.301 1.00 13.22 H new ATOM 0 HE21 GLN A 112 -8.722 -2.287 -9.877 1.00 23.22 H new ATOM 0 HE22 GLN A 112 -8.028 -1.921 -11.460 1.00 23.22 H new ATOM 1796 N ALA A 113 -13.973 -3.706 -12.933 1.00 62.23 N ATOM 1797 CA ALA A 113 -15.206 -4.068 -13.626 1.00 12.21 C ATOM 1798 C ALA A 113 -15.746 -5.444 -13.216 1.00 34.22 C ATOM 1799 O ALA A 113 -16.951 -5.690 -13.266 1.00 31.13 O ATOM 1800 CB ALA A 113 -14.881 -4.063 -15.116 1.00 41.45 C ATOM 0 H ALA A 113 -13.243 -3.404 -13.578 1.00 62.23 H new ATOM 0 HA ALA A 113 -15.987 -3.353 -13.366 1.00 12.21 H new ATOM 0 HB1 ALA A 113 -15.773 -4.328 -15.684 1.00 41.45 H new ATOM 0 HB2 ALA A 113 -14.545 -3.069 -15.412 1.00 41.45 H new ATOM 0 HB3 ALA A 113 -14.093 -4.788 -15.319 1.00 41.45 H new ATOM 1806 N ASP A 114 -14.850 -6.327 -12.769 1.00 21.21 N ATOM 1807 CA ASP A 114 -15.117 -7.635 -12.180 1.00 31.02 C ATOM 1808 C ASP A 114 -16.057 -7.526 -10.964 1.00 34.11 C ATOM 1809 O ASP A 114 -16.770 -8.481 -10.662 1.00 30.41 O ATOM 1810 CB ASP A 114 -13.736 -8.219 -11.827 1.00 71.44 C ATOM 1811 CG ASP A 114 -13.708 -9.636 -11.241 1.00 54.13 C ATOM 1812 OD1 ASP A 114 -14.583 -10.482 -11.501 1.00 43.42 O ATOM 1813 OD2 ASP A 114 -12.752 -9.936 -10.503 1.00 30.32 O ATOM 0 H ASP A 114 -13.850 -6.130 -12.814 1.00 21.21 H new ATOM 0 HA ASP A 114 -15.644 -8.295 -12.870 1.00 31.02 H new ATOM 0 HB2 ASP A 114 -13.125 -8.214 -12.730 1.00 71.44 H new ATOM 0 HB3 ASP A 114 -13.257 -7.548 -11.114 1.00 71.44 H new ATOM 1818 N GLY A 115 -16.168 -6.362 -10.309 1.00 54.53 N ATOM 1819 CA GLY A 115 -17.124 -6.055 -9.256 1.00 13.34 C ATOM 1820 C GLY A 115 -16.458 -5.915 -7.891 1.00 44.54 C ATOM 1821 O GLY A 115 -17.101 -5.443 -6.958 1.00 42.11 O ATOM 0 H GLY A 115 -15.557 -5.572 -10.517 1.00 54.53 H new ATOM 0 HA2 GLY A 115 -17.645 -5.129 -9.500 1.00 13.34 H new ATOM 0 HA3 GLY A 115 -17.877 -6.842 -9.211 1.00 13.34 H new ATOM 1825 N LYS A 116 -15.176 -6.274 -7.763 1.00 64.12 N ATOM 1826 CA LYS A 116 -14.429 -6.203 -6.505 1.00 22.30 C ATOM 1827 C LYS A 116 -13.376 -5.110 -6.604 1.00 21.31 C ATOM 1828 O LYS A 116 -12.882 -4.797 -7.690 1.00 53.45 O ATOM 1829 CB LYS A 116 -13.824 -7.581 -6.179 1.00 10.30 C ATOM 1830 CG LYS A 116 -14.714 -8.394 -5.232 1.00 62.23 C ATOM 1831 CD LYS A 116 -14.570 -9.899 -5.484 1.00 13.51 C ATOM 1832 CE LYS A 116 -15.315 -10.707 -4.417 1.00 34.44 C ATOM 1833 NZ LYS A 116 -15.521 -12.104 -4.846 1.00 30.22 N ATOM 0 H LYS A 116 -14.621 -6.627 -8.543 1.00 64.12 H new ATOM 0 HA LYS A 116 -15.094 -5.943 -5.681 1.00 22.30 H new ATOM 0 HB2 LYS A 116 -13.675 -8.139 -7.104 1.00 10.30 H new ATOM 0 HB3 LYS A 116 -12.842 -7.447 -5.726 1.00 10.30 H new ATOM 0 HG2 LYS A 116 -14.449 -8.170 -4.199 1.00 62.23 H new ATOM 0 HG3 LYS A 116 -15.755 -8.099 -5.365 1.00 62.23 H new ATOM 0 HD2 LYS A 116 -14.961 -10.145 -6.471 1.00 13.51 H new ATOM 0 HD3 LYS A 116 -13.515 -10.173 -5.482 1.00 13.51 H new ATOM 0 HE2 LYS A 116 -14.750 -10.691 -3.485 1.00 34.44 H new ATOM 0 HE3 LYS A 116 -16.279 -10.241 -4.213 1.00 34.44 H new ATOM 0 HZ1 LYS A 116 -16.028 -12.624 -4.102 1.00 30.22 H new ATOM 0 HZ2 LYS A 116 -16.081 -12.119 -5.722 1.00 30.22 H new ATOM 0 HZ3 LYS A 116 -14.599 -12.554 -5.017 1.00 30.22 H new ATOM 1847 N TRP A 117 -13.051 -4.500 -5.466 1.00 43.11 N ATOM 1848 CA TRP A 117 -12.012 -3.482 -5.398 1.00 12.51 C ATOM 1849 C TRP A 117 -10.672 -4.165 -5.215 1.00 33.44 C ATOM 1850 O TRP A 117 -10.610 -5.244 -4.624 1.00 61.11 O ATOM 1851 CB TRP A 117 -12.283 -2.509 -4.248 1.00 32.00 C ATOM 1852 CG TRP A 117 -13.508 -1.671 -4.416 1.00 2.54 C ATOM 1853 CD1 TRP A 117 -14.778 -2.118 -4.314 1.00 52.31 C ATOM 1854 CD2 TRP A 117 -13.608 -0.249 -4.731 1.00 50.31 C ATOM 1855 NE1 TRP A 117 -15.658 -1.092 -4.595 1.00 62.33 N ATOM 1856 CE2 TRP A 117 -14.988 0.076 -4.882 1.00 45.22 C ATOM 1857 CE3 TRP A 117 -12.679 0.799 -4.916 1.00 13.40 C ATOM 1858 CZ2 TRP A 117 -15.416 1.353 -5.266 1.00 62.43 C ATOM 1859 CZ3 TRP A 117 -13.103 2.105 -5.230 1.00 34.12 C ATOM 1860 CH2 TRP A 117 -14.471 2.384 -5.408 1.00 52.35 C ATOM 0 H TRP A 117 -13.499 -4.698 -4.571 1.00 43.11 H new ATOM 0 HA TRP A 117 -12.005 -2.906 -6.323 1.00 12.51 H new ATOM 0 HB2 TRP A 117 -12.372 -3.078 -3.322 1.00 32.00 H new ATOM 0 HB3 TRP A 117 -11.421 -1.851 -4.136 1.00 32.00 H new ATOM 0 HD1 TRP A 117 -15.063 -3.126 -4.052 1.00 52.31 H new ATOM 0 HE1 TRP A 117 -16.674 -1.187 -4.591 1.00 62.33 H new ATOM 0 HE3 TRP A 117 -11.623 0.595 -4.815 1.00 13.40 H new ATOM 0 HZ2 TRP A 117 -16.463 1.544 -5.451 1.00 62.43 H new ATOM 0 HZ3 TRP A 117 -12.375 2.896 -5.335 1.00 34.12 H new ATOM 0 HH2 TRP A 117 -14.793 3.385 -5.653 1.00 52.35 H new ATOM 1871 N TYR A 118 -9.608 -3.519 -5.680 1.00 25.10 N ATOM 1872 CA TYR A 118 -8.258 -4.049 -5.652 1.00 12.14 C ATOM 1873 C TYR A 118 -7.290 -2.887 -5.379 1.00 2.50 C ATOM 1874 O TYR A 118 -7.578 -1.749 -5.762 1.00 44.25 O ATOM 1875 CB TYR A 118 -8.011 -4.785 -6.981 1.00 23.24 C ATOM 1876 CG TYR A 118 -8.688 -6.153 -7.002 1.00 54.42 C ATOM 1877 CD1 TYR A 118 -8.066 -7.213 -6.335 1.00 31.11 C ATOM 1878 CD2 TYR A 118 -9.972 -6.359 -7.541 1.00 52.15 C ATOM 1879 CE1 TYR A 118 -8.721 -8.425 -6.098 1.00 23.03 C ATOM 1880 CE2 TYR A 118 -10.625 -7.596 -7.368 1.00 2.22 C ATOM 1881 CZ TYR A 118 -10.018 -8.614 -6.601 1.00 73.42 C ATOM 1882 OH TYR A 118 -10.619 -9.810 -6.371 1.00 12.33 O ATOM 0 H TYR A 118 -9.667 -2.590 -6.096 1.00 25.10 H new ATOM 0 HA TYR A 118 -8.099 -4.776 -4.855 1.00 12.14 H new ATOM 0 HB2 TYR A 118 -8.386 -4.181 -7.807 1.00 23.24 H new ATOM 0 HB3 TYR A 118 -6.939 -4.907 -7.136 1.00 23.24 H new ATOM 0 HD1 TYR A 118 -7.049 -7.092 -5.993 1.00 31.11 H new ATOM 0 HD2 TYR A 118 -10.459 -5.566 -8.089 1.00 52.15 H new ATOM 0 HE1 TYR A 118 -8.235 -9.207 -5.534 1.00 23.03 H new ATOM 0 HE2 TYR A 118 -11.590 -7.765 -7.822 1.00 2.22 H new ATOM 0 HH TYR A 118 -11.513 -9.809 -6.771 1.00 12.33 H new ATOM 1892 N VAL A 119 -6.179 -3.110 -4.655 1.00 24.24 N ATOM 1893 CA VAL A 119 -5.097 -2.111 -4.628 1.00 12.12 C ATOM 1894 C VAL A 119 -4.225 -2.382 -5.840 1.00 31.34 C ATOM 1895 O VAL A 119 -4.001 -3.542 -6.190 1.00 12.53 O ATOM 1896 CB VAL A 119 -4.393 -1.999 -3.255 1.00 10.32 C ATOM 1897 CG1 VAL A 119 -4.097 -3.322 -2.611 1.00 25.43 C ATOM 1898 CG2 VAL A 119 -3.033 -1.286 -3.232 1.00 71.03 C ATOM 0 H VAL A 119 -6.009 -3.946 -4.097 1.00 24.24 H new ATOM 0 HA VAL A 119 -5.479 -1.094 -4.719 1.00 12.12 H new ATOM 0 HB VAL A 119 -5.144 -1.413 -2.725 1.00 10.32 H new ATOM 0 HG11 VAL A 119 -3.604 -3.158 -1.653 1.00 25.43 H new ATOM 0 HG12 VAL A 119 -5.028 -3.865 -2.451 1.00 25.43 H new ATOM 0 HG13 VAL A 119 -3.444 -3.905 -3.260 1.00 25.43 H new ATOM 0 HG21 VAL A 119 -2.646 -1.274 -2.213 1.00 71.03 H new ATOM 0 HG22 VAL A 119 -2.334 -1.815 -3.880 1.00 71.03 H new ATOM 0 HG23 VAL A 119 -3.153 -0.262 -3.587 1.00 71.03 H new ATOM 1908 N VAL A 120 -3.838 -1.319 -6.530 1.00 23.42 N ATOM 1909 CA VAL A 120 -3.209 -1.374 -7.846 1.00 4.10 C ATOM 1910 C VAL A 120 -1.856 -0.650 -7.815 1.00 3.33 C ATOM 1911 O VAL A 120 -1.179 -0.561 -8.834 1.00 73.13 O ATOM 1912 CB VAL A 120 -4.194 -0.856 -8.923 1.00 5.14 C ATOM 1913 CG1 VAL A 120 -5.560 -1.563 -8.884 1.00 3.20 C ATOM 1914 CG2 VAL A 120 -4.478 0.638 -8.787 1.00 41.25 C ATOM 0 H VAL A 120 -3.955 -0.367 -6.182 1.00 23.42 H new ATOM 0 HA VAL A 120 -2.983 -2.404 -8.122 1.00 4.10 H new ATOM 0 HB VAL A 120 -3.686 -1.070 -9.863 1.00 5.14 H new ATOM 0 HG11 VAL A 120 -6.204 -1.154 -9.663 1.00 3.20 H new ATOM 0 HG12 VAL A 120 -5.422 -2.631 -9.051 1.00 3.20 H new ATOM 0 HG13 VAL A 120 -6.024 -1.405 -7.910 1.00 3.20 H new ATOM 0 HG21 VAL A 120 -5.174 0.948 -9.566 1.00 41.25 H new ATOM 0 HG22 VAL A 120 -4.916 0.838 -7.809 1.00 41.25 H new ATOM 0 HG23 VAL A 120 -3.547 1.196 -8.888 1.00 41.25 H new ATOM 1924 N ASP A 121 -1.444 -0.192 -6.628 1.00 62.41 N ATOM 1925 CA ASP A 121 -0.212 0.555 -6.369 1.00 50.51 C ATOM 1926 C ASP A 121 0.183 0.339 -4.921 1.00 62.41 C ATOM 1927 O ASP A 121 -0.649 0.576 -4.042 1.00 54.44 O ATOM 1928 CB ASP A 121 -0.401 2.076 -6.550 1.00 52.12 C ATOM 1929 CG ASP A 121 0.898 2.762 -6.954 1.00 2.11 C ATOM 1930 OD1 ASP A 121 1.582 2.248 -7.860 1.00 23.20 O ATOM 1931 OD2 ASP A 121 1.175 3.872 -6.436 1.00 30.20 O ATOM 0 H ASP A 121 -1.990 -0.341 -5.780 1.00 62.41 H new ATOM 0 HA ASP A 121 0.539 0.200 -7.074 1.00 50.51 H new ATOM 0 HB2 ASP A 121 -1.161 2.260 -7.309 1.00 52.12 H new ATOM 0 HB3 ASP A 121 -0.768 2.510 -5.620 1.00 52.12 H new ATOM 1936 N CYS A 122 1.418 -0.092 -4.673 1.00 72.45 N ATOM 1937 CA CYS A 122 2.014 -0.045 -3.348 1.00 11.54 C ATOM 1938 C CYS A 122 3.446 0.473 -3.422 1.00 21.04 C ATOM 1939 O CYS A 122 4.351 -0.268 -3.811 1.00 51.51 O ATOM 1940 CB CYS A 122 1.969 -1.412 -2.665 1.00 71.35 C ATOM 1941 SG CYS A 122 0.406 -1.585 -1.773 1.00 31.33 S ATOM 0 H CYS A 122 2.031 -0.483 -5.388 1.00 72.45 H new ATOM 0 HA CYS A 122 1.426 0.646 -2.744 1.00 11.54 H new ATOM 0 HB2 CYS A 122 2.067 -2.205 -3.406 1.00 71.35 H new ATOM 0 HB3 CYS A 122 2.807 -1.514 -1.976 1.00 71.35 H new ATOM 0 HG CYS A 122 0.112 -2.846 -1.653 1.00 31.33 H new ATOM 1947 N TYR A 123 3.627 1.734 -3.039 1.00 51.34 N ATOM 1948 CA TYR A 123 4.898 2.382 -2.754 1.00 23.31 C ATOM 1949 C TYR A 123 4.997 2.535 -1.238 1.00 54.15 C ATOM 1950 O TYR A 123 4.058 3.055 -0.632 1.00 31.10 O ATOM 1951 CB TYR A 123 4.848 3.772 -3.385 1.00 63.43 C ATOM 1952 CG TYR A 123 6.122 4.576 -3.416 1.00 12.33 C ATOM 1953 CD1 TYR A 123 7.072 4.333 -4.421 1.00 41.33 C ATOM 1954 CD2 TYR A 123 6.317 5.629 -2.502 1.00 71.02 C ATOM 1955 CE1 TYR A 123 8.211 5.145 -4.529 1.00 21.22 C ATOM 1956 CE2 TYR A 123 7.453 6.443 -2.605 1.00 2.54 C ATOM 1957 CZ TYR A 123 8.402 6.212 -3.624 1.00 71.45 C ATOM 1958 OH TYR A 123 9.500 7.005 -3.739 1.00 34.24 O ATOM 0 H TYR A 123 2.838 2.368 -2.912 1.00 51.34 H new ATOM 0 HA TYR A 123 5.744 1.814 -3.140 1.00 23.31 H new ATOM 0 HB2 TYR A 123 4.497 3.662 -4.411 1.00 63.43 H new ATOM 0 HB3 TYR A 123 4.097 4.355 -2.852 1.00 63.43 H new ATOM 0 HD1 TYR A 123 6.925 3.518 -5.114 1.00 41.33 H new ATOM 0 HD2 TYR A 123 5.592 5.809 -1.722 1.00 71.02 H new ATOM 0 HE1 TYR A 123 8.940 4.954 -5.303 1.00 21.22 H new ATOM 0 HE2 TYR A 123 7.603 7.250 -1.903 1.00 2.54 H new ATOM 0 HH TYR A 123 9.481 7.693 -3.041 1.00 34.24 H new ATOM 1968 N THR A 124 6.076 2.095 -0.613 1.00 34.44 N ATOM 1969 CA THR A 124 6.403 2.346 0.786 1.00 34.21 C ATOM 1970 C THR A 124 7.925 2.431 0.875 1.00 30.11 C ATOM 1971 O THR A 124 8.630 1.766 0.097 1.00 22.43 O ATOM 1972 CB THR A 124 5.803 1.241 1.686 1.00 42.42 C ATOM 1973 OG1 THR A 124 6.352 1.279 2.992 1.00 64.34 O ATOM 1974 CG2 THR A 124 6.037 -0.175 1.131 1.00 4.32 C ATOM 0 H THR A 124 6.781 1.528 -1.085 1.00 34.44 H new ATOM 0 HA THR A 124 5.971 3.280 1.144 1.00 34.21 H new ATOM 0 HB THR A 124 4.733 1.447 1.710 1.00 42.42 H new ATOM 0 HG1 THR A 124 5.951 0.569 3.536 1.00 64.34 H new ATOM 0 HG21 THR A 124 5.594 -0.908 1.805 1.00 4.32 H new ATOM 0 HG22 THR A 124 5.576 -0.261 0.147 1.00 4.32 H new ATOM 0 HG23 THR A 124 7.108 -0.360 1.047 1.00 4.32 H new ATOM 1982 N GLY A 125 8.438 3.226 1.823 1.00 41.21 N ATOM 1983 CA GLY A 125 9.863 3.333 2.127 1.00 71.21 C ATOM 1984 C GLY A 125 10.567 1.970 2.190 1.00 72.05 C ATOM 1985 O GLY A 125 11.657 1.821 1.640 1.00 22.42 O ATOM 0 H GLY A 125 7.857 3.824 2.411 1.00 41.21 H new ATOM 0 HA2 GLY A 125 10.345 3.950 1.369 1.00 71.21 H new ATOM 0 HA3 GLY A 125 9.988 3.845 3.081 1.00 71.21 H new ATOM 1989 N TRP A 126 9.873 0.946 2.698 1.00 32.00 N ATOM 1990 CA TRP A 126 10.332 -0.439 2.835 1.00 11.14 C ATOM 1991 C TRP A 126 11.054 -0.953 1.586 1.00 11.12 C ATOM 1992 O TRP A 126 12.059 -1.655 1.693 1.00 24.00 O ATOM 1993 CB TRP A 126 9.105 -1.342 3.087 1.00 11.43 C ATOM 1994 CG TRP A 126 8.892 -1.831 4.479 1.00 74.22 C ATOM 1995 CD1 TRP A 126 7.719 -1.845 5.151 1.00 30.43 C ATOM 1996 CD2 TRP A 126 9.873 -2.436 5.363 1.00 64.21 C ATOM 1997 NE1 TRP A 126 7.909 -2.455 6.376 1.00 31.43 N ATOM 1998 CE2 TRP A 126 9.216 -2.863 6.547 1.00 12.10 C ATOM 1999 CE3 TRP A 126 11.258 -2.656 5.270 1.00 5.41 C ATOM 2000 CZ2 TRP A 126 9.898 -3.540 7.564 1.00 72.01 C ATOM 2001 CZ3 TRP A 126 11.964 -3.272 6.308 1.00 50.11 C ATOM 2002 CH2 TRP A 126 11.282 -3.726 7.447 1.00 30.21 C ATOM 0 H TRP A 126 8.922 1.069 3.044 1.00 32.00 H new ATOM 0 HA TRP A 126 11.039 -0.466 3.664 1.00 11.14 H new ATOM 0 HB2 TRP A 126 8.214 -0.794 2.782 1.00 11.43 H new ATOM 0 HB3 TRP A 126 9.185 -2.210 2.433 1.00 11.43 H new ATOM 0 HD1 TRP A 126 6.784 -1.444 4.789 1.00 30.43 H new ATOM 0 HE1 TRP A 126 7.173 -2.588 7.069 1.00 31.43 H new ATOM 0 HE3 TRP A 126 11.786 -2.344 4.381 1.00 5.41 H new ATOM 0 HZ2 TRP A 126 9.366 -3.914 8.426 1.00 72.01 H new ATOM 0 HZ3 TRP A 126 13.034 -3.398 6.233 1.00 50.11 H new ATOM 0 HH2 TRP A 126 11.826 -4.221 8.237 1.00 30.21 H new ATOM 2013 N TYR A 127 10.526 -0.635 0.398 1.00 52.24 N ATOM 2014 CA TYR A 127 11.048 -1.106 -0.874 1.00 73.31 C ATOM 2015 C TYR A 127 11.214 0.064 -1.858 1.00 13.42 C ATOM 2016 O TYR A 127 11.246 -0.159 -3.075 1.00 24.12 O ATOM 2017 CB TYR A 127 10.152 -2.233 -1.415 1.00 71.02 C ATOM 2018 CG TYR A 127 10.080 -3.509 -0.586 1.00 21.43 C ATOM 2019 CD1 TYR A 127 11.091 -4.492 -0.672 1.00 70.04 C ATOM 2020 CD2 TYR A 127 8.970 -3.732 0.249 1.00 34.20 C ATOM 2021 CE1 TYR A 127 10.989 -5.685 0.073 1.00 32.21 C ATOM 2022 CE2 TYR A 127 8.878 -4.903 1.020 1.00 22.04 C ATOM 2023 CZ TYR A 127 9.895 -5.876 0.940 1.00 33.44 C ATOM 2024 OH TYR A 127 9.834 -7.009 1.688 1.00 32.43 O ATOM 0 H TYR A 127 9.709 -0.032 0.301 1.00 52.24 H new ATOM 0 HA TYR A 127 12.044 -1.527 -0.735 1.00 73.31 H new ATOM 0 HB2 TYR A 127 9.141 -1.841 -1.524 1.00 71.02 H new ATOM 0 HB3 TYR A 127 10.501 -2.496 -2.414 1.00 71.02 H new ATOM 0 HD1 TYR A 127 11.946 -4.329 -1.311 1.00 70.04 H new ATOM 0 HD2 TYR A 127 8.181 -2.996 0.298 1.00 34.20 H new ATOM 0 HE1 TYR A 127 11.746 -6.449 -0.021 1.00 32.21 H new ATOM 0 HE2 TYR A 127 8.031 -5.057 1.672 1.00 22.04 H new ATOM 0 HH TYR A 127 10.284 -6.859 2.546 1.00 32.43 H new ATOM 2034 N GLY A 128 11.337 1.298 -1.363 1.00 13.30 N ATOM 2035 CA GLY A 128 11.422 2.515 -2.158 1.00 34.23 C ATOM 2036 C GLY A 128 12.668 3.285 -1.772 1.00 62.01 C ATOM 2037 O GLY A 128 12.602 4.107 -0.861 1.00 54.31 O ATOM 0 H GLY A 128 11.381 1.478 -0.360 1.00 13.30 H new ATOM 0 HA2 GLY A 128 11.449 2.268 -3.219 1.00 34.23 H new ATOM 0 HA3 GLY A 128 10.537 3.130 -1.996 1.00 34.23 H new ATOM 2041 N TYR A 129 13.766 3.058 -2.496 1.00 24.34 N ATOM 2042 CA TYR A 129 15.079 3.638 -2.250 1.00 70.33 C ATOM 2043 C TYR A 129 15.430 3.565 -0.752 1.00 65.34 C ATOM 2044 O TYR A 129 15.496 4.590 -0.069 1.00 61.35 O ATOM 2045 CB TYR A 129 15.131 5.093 -2.722 1.00 65.34 C ATOM 2046 CG TYR A 129 15.226 5.447 -4.192 1.00 41.24 C ATOM 2047 CD1 TYR A 129 14.451 4.823 -5.193 1.00 72.35 C ATOM 2048 CD2 TYR A 129 16.011 6.567 -4.516 1.00 43.13 C ATOM 2049 CE1 TYR A 129 14.422 5.362 -6.497 1.00 4.30 C ATOM 2050 CE2 TYR A 129 15.982 7.104 -5.806 1.00 1.33 C ATOM 2051 CZ TYR A 129 15.146 6.544 -6.795 1.00 62.23 C ATOM 2052 OH TYR A 129 15.005 7.192 -7.988 1.00 25.04 O ATOM 0 H TYR A 129 13.759 2.437 -3.305 1.00 24.34 H new ATOM 0 HA TYR A 129 15.810 3.061 -2.816 1.00 70.33 H new ATOM 0 HB2 TYR A 129 14.237 5.583 -2.336 1.00 65.34 H new ATOM 0 HB3 TYR A 129 15.986 5.555 -2.229 1.00 65.34 H new ATOM 0 HD1 TYR A 129 13.881 3.935 -4.962 1.00 72.35 H new ATOM 0 HD2 TYR A 129 16.641 7.016 -3.763 1.00 43.13 H new ATOM 0 HE1 TYR A 129 13.847 4.873 -7.270 1.00 4.30 H new ATOM 0 HE2 TYR A 129 16.604 7.953 -6.047 1.00 1.33 H new ATOM 0 HH TYR A 129 15.331 6.618 -8.712 1.00 25.04 H new ATOM 2062 N ASP A 130 15.676 2.363 -0.246 1.00 24.41 N ATOM 2063 CA ASP A 130 16.226 2.181 1.095 1.00 42.24 C ATOM 2064 C ASP A 130 17.498 1.360 0.975 1.00 3.31 C ATOM 2065 O ASP A 130 18.555 1.752 1.474 1.00 5.13 O ATOM 2066 CB ASP A 130 15.196 1.510 2.013 1.00 42.24 C ATOM 2067 CG ASP A 130 15.748 1.184 3.408 1.00 21.04 C ATOM 2068 OD1 ASP A 130 16.860 1.618 3.788 1.00 53.33 O ATOM 2069 OD2 ASP A 130 15.060 0.437 4.141 1.00 10.13 O ATOM 0 H ASP A 130 15.502 1.492 -0.748 1.00 24.41 H new ATOM 0 HA ASP A 130 16.464 3.145 1.545 1.00 42.24 H new ATOM 0 HB2 ASP A 130 14.330 2.164 2.116 1.00 42.24 H new ATOM 0 HB3 ASP A 130 14.846 0.590 1.544 1.00 42.24 H new ATOM 2074 N LEU A 131 17.443 0.237 0.260 1.00 32.30 N ATOM 2075 CA LEU A 131 18.489 -0.765 0.339 1.00 5.34 C ATOM 2076 C LEU A 131 18.892 -1.210 -1.056 1.00 63.33 C ATOM 2077 O LEU A 131 18.077 -1.179 -1.984 1.00 11.34 O ATOM 2078 CB LEU A 131 18.017 -1.937 1.211 1.00 50.14 C ATOM 2079 CG LEU A 131 18.164 -1.654 2.721 1.00 34.11 C ATOM 2080 CD1 LEU A 131 17.440 -2.737 3.522 1.00 1.54 C ATOM 2081 CD2 LEU A 131 19.624 -1.553 3.187 1.00 10.50 C ATOM 0 H LEU A 131 16.683 0.004 -0.379 1.00 32.30 H new ATOM 0 HA LEU A 131 19.376 -0.340 0.810 1.00 5.34 H new ATOM 0 HB2 LEU A 131 16.973 -2.154 0.986 1.00 50.14 H new ATOM 0 HB3 LEU A 131 18.590 -2.828 0.955 1.00 50.14 H new ATOM 0 HG LEU A 131 17.713 -0.678 2.900 1.00 34.11 H new ATOM 0 HD11 LEU A 131 17.546 -2.534 4.588 1.00 1.54 H new ATOM 0 HD12 LEU A 131 16.383 -2.740 3.257 1.00 1.54 H new ATOM 0 HD13 LEU A 131 17.874 -3.710 3.293 1.00 1.54 H new ATOM 0 HD21 LEU A 131 19.651 -1.353 4.258 1.00 10.50 H new ATOM 0 HD22 LEU A 131 20.138 -2.492 2.980 1.00 10.50 H new ATOM 0 HD23 LEU A 131 20.121 -0.742 2.654 1.00 10.50 H new ATOM 2093 N PRO A 132 20.162 -1.591 -1.244 1.00 2.20 N ATOM 2094 CA PRO A 132 20.644 -2.077 -2.519 1.00 30.40 C ATOM 2095 C PRO A 132 20.100 -3.479 -2.797 1.00 12.11 C ATOM 2096 O PRO A 132 19.514 -4.139 -1.931 1.00 43.24 O ATOM 2097 CB PRO A 132 22.166 -2.084 -2.370 1.00 73.05 C ATOM 2098 CG PRO A 132 22.375 -2.349 -0.890 1.00 33.43 C ATOM 2099 CD PRO A 132 21.231 -1.576 -0.257 1.00 2.30 C ATOM 0 HA PRO A 132 20.321 -1.460 -3.358 1.00 30.40 H new ATOM 0 HB2 PRO A 132 22.626 -2.857 -2.985 1.00 73.05 H new ATOM 0 HB3 PRO A 132 22.604 -1.133 -2.673 1.00 73.05 H new ATOM 0 HG2 PRO A 132 22.325 -3.413 -0.656 1.00 33.43 H new ATOM 0 HG3 PRO A 132 23.346 -1.992 -0.546 1.00 33.43 H new ATOM 0 HD2 PRO A 132 20.911 -2.041 0.676 1.00 2.30 H new ATOM 0 HD3 PRO A 132 21.531 -0.556 -0.018 1.00 2.30 H new ATOM 2107 N ILE A 133 20.375 -3.969 -4.004 1.00 53.54 N ATOM 2108 CA ILE A 133 19.934 -5.265 -4.503 1.00 61.45 C ATOM 2109 C ILE A 133 20.322 -6.414 -3.563 1.00 3.40 C ATOM 2110 O ILE A 133 19.621 -7.428 -3.495 1.00 33.13 O ATOM 2111 CB ILE A 133 20.463 -5.400 -5.945 1.00 61.35 C ATOM 2112 CG1 ILE A 133 19.620 -6.387 -6.760 1.00 74.03 C ATOM 2113 CG2 ILE A 133 21.947 -5.790 -5.998 1.00 32.12 C ATOM 2114 CD1 ILE A 133 19.832 -6.243 -8.275 1.00 5.43 C ATOM 0 H ILE A 133 20.932 -3.453 -4.685 1.00 53.54 H new ATOM 0 HA ILE A 133 18.846 -5.329 -4.527 1.00 61.45 H new ATOM 0 HB ILE A 133 20.373 -4.411 -6.395 1.00 61.35 H new ATOM 0 HG12 ILE A 133 19.868 -7.405 -6.458 1.00 74.03 H new ATOM 0 HG13 ILE A 133 18.566 -6.234 -6.529 1.00 74.03 H new ATOM 0 HG21 ILE A 133 22.265 -5.871 -7.037 1.00 32.12 H new ATOM 0 HG22 ILE A 133 22.542 -5.028 -5.495 1.00 32.12 H new ATOM 0 HG23 ILE A 133 22.089 -6.749 -5.500 1.00 32.12 H new ATOM 0 HD11 ILE A 133 19.209 -6.967 -8.800 1.00 5.43 H new ATOM 0 HD12 ILE A 133 19.558 -5.235 -8.587 1.00 5.43 H new ATOM 0 HD13 ILE A 133 20.880 -6.424 -8.515 1.00 5.43 H new ATOM 2126 N GLY A 134 21.415 -6.242 -2.815 1.00 43.44 N ATOM 2127 CA GLY A 134 21.960 -7.283 -1.974 1.00 44.24 C ATOM 2128 C GLY A 134 21.254 -7.381 -0.628 1.00 42.12 C ATOM 2129 O GLY A 134 20.985 -8.503 -0.191 1.00 64.05 O ATOM 0 H GLY A 134 21.941 -5.369 -2.783 1.00 43.44 H new ATOM 0 HA2 GLY A 134 21.883 -8.240 -2.491 1.00 44.24 H new ATOM 0 HA3 GLY A 134 23.021 -7.094 -1.810 1.00 44.24 H new ATOM 2133 N GLU A 135 20.957 -6.255 0.032 1.00 53.41 N ATOM 2134 CA GLU A 135 20.277 -6.265 1.333 1.00 50.15 C ATOM 2135 C GLU A 135 18.766 -6.423 1.207 1.00 71.31 C ATOM 2136 O GLU A 135 18.108 -6.687 2.213 1.00 5.44 O ATOM 2137 CB GLU A 135 20.618 -5.036 2.190 1.00 44.54 C ATOM 2138 CG GLU A 135 21.634 -5.289 3.313 1.00 23.10 C ATOM 2139 CD GLU A 135 21.215 -6.329 4.361 1.00 70.12 C ATOM 2140 OE1 GLU A 135 21.153 -7.537 4.029 1.00 14.21 O ATOM 2141 OE2 GLU A 135 21.104 -5.968 5.553 1.00 25.03 O ATOM 0 H GLU A 135 21.178 -5.322 -0.315 1.00 53.41 H new ATOM 0 HA GLU A 135 20.660 -7.146 1.848 1.00 50.15 H new ATOM 0 HB2 GLU A 135 21.007 -4.254 1.538 1.00 44.54 H new ATOM 0 HB3 GLU A 135 19.698 -4.654 2.632 1.00 44.54 H new ATOM 0 HG2 GLU A 135 22.574 -5.610 2.864 1.00 23.10 H new ATOM 0 HG3 GLU A 135 21.830 -4.345 3.821 1.00 23.10 H new ATOM 2148 N LEU A 136 18.221 -6.378 -0.014 1.00 25.42 N ATOM 2149 CA LEU A 136 16.818 -6.679 -0.294 1.00 61.41 C ATOM 2150 C LEU A 136 16.391 -7.984 0.409 1.00 70.15 C ATOM 2151 O LEU A 136 15.292 -8.088 0.949 1.00 1.44 O ATOM 2152 CB LEU A 136 16.636 -6.775 -1.822 1.00 50.43 C ATOM 2153 CG LEU A 136 15.271 -6.316 -2.376 1.00 30.43 C ATOM 2154 CD1 LEU A 136 15.060 -6.898 -3.783 1.00 12.22 C ATOM 2155 CD2 LEU A 136 14.056 -6.701 -1.537 1.00 41.51 C ATOM 0 H LEU A 136 18.754 -6.127 -0.847 1.00 25.42 H new ATOM 0 HA LEU A 136 16.180 -5.885 0.094 1.00 61.41 H new ATOM 0 HB2 LEU A 136 17.416 -6.181 -2.298 1.00 50.43 H new ATOM 0 HB3 LEU A 136 16.797 -7.811 -2.122 1.00 50.43 H new ATOM 0 HG LEU A 136 15.328 -5.228 -2.368 1.00 30.43 H new ATOM 0 HD11 LEU A 136 14.095 -6.572 -4.171 1.00 12.22 H new ATOM 0 HD12 LEU A 136 15.853 -6.549 -4.444 1.00 12.22 H new ATOM 0 HD13 LEU A 136 15.082 -7.987 -3.733 1.00 12.22 H new ATOM 0 HD21 LEU A 136 13.150 -6.330 -2.017 1.00 41.51 H new ATOM 0 HD22 LEU A 136 14.002 -7.786 -1.451 1.00 41.51 H new ATOM 0 HD23 LEU A 136 14.146 -6.262 -0.543 1.00 41.51 H new ATOM 2167 N LYS A 137 17.295 -8.972 0.480 1.00 62.34 N ATOM 2168 CA LYS A 137 17.103 -10.197 1.255 1.00 73.15 C ATOM 2169 C LYS A 137 16.650 -9.903 2.686 1.00 14.12 C ATOM 2170 O LYS A 137 15.613 -10.440 3.086 1.00 25.31 O ATOM 2171 CB LYS A 137 18.399 -11.028 1.274 1.00 34.43 C ATOM 2172 CG LYS A 137 18.661 -11.776 -0.042 1.00 30.13 C ATOM 2173 CD LYS A 137 19.628 -12.959 0.125 1.00 22.02 C ATOM 2174 CE LYS A 137 21.023 -12.546 0.605 1.00 33.10 C ATOM 2175 NZ LYS A 137 22.053 -12.569 -0.447 1.00 44.33 N ATOM 0 H LYS A 137 18.190 -8.938 -0.007 1.00 62.34 H new ATOM 0 HA LYS A 137 16.313 -10.769 0.768 1.00 73.15 H new ATOM 0 HB2 LYS A 137 19.242 -10.369 1.483 1.00 34.43 H new ATOM 0 HB3 LYS A 137 18.348 -11.749 2.090 1.00 34.43 H new ATOM 0 HG2 LYS A 137 17.715 -12.140 -0.442 1.00 30.13 H new ATOM 0 HG3 LYS A 137 19.069 -11.080 -0.775 1.00 30.13 H new ATOM 0 HD2 LYS A 137 19.203 -13.668 0.836 1.00 22.02 H new ATOM 0 HD3 LYS A 137 19.720 -13.480 -0.828 1.00 22.02 H new ATOM 0 HE2 LYS A 137 20.969 -11.541 1.023 1.00 33.10 H new ATOM 0 HE3 LYS A 137 21.329 -13.211 1.413 1.00 33.10 H new ATOM 0 HZ1 LYS A 137 22.967 -12.278 -0.045 1.00 44.33 H new ATOM 0 HZ2 LYS A 137 22.135 -13.532 -0.832 1.00 44.33 H new ATOM 0 HZ3 LYS A 137 21.786 -11.913 -1.209 1.00 44.33 H new ATOM 2189 N GLN A 138 17.403 -9.113 3.454 1.00 23.40 N ATOM 2190 CA GLN A 138 17.086 -8.803 4.841 1.00 3.23 C ATOM 2191 C GLN A 138 15.687 -8.195 4.914 1.00 62.34 C ATOM 2192 O GLN A 138 14.861 -8.729 5.644 1.00 41.53 O ATOM 2193 CB GLN A 138 18.172 -7.888 5.431 1.00 34.30 C ATOM 2194 CG GLN A 138 17.964 -7.535 6.913 1.00 32.12 C ATOM 2195 CD GLN A 138 18.123 -8.727 7.864 1.00 61.04 C ATOM 2196 OE1 GLN A 138 19.025 -9.556 7.723 1.00 11.23 O ATOM 2197 NE2 GLN A 138 17.250 -8.867 8.841 1.00 62.23 N ATOM 0 H GLN A 138 18.259 -8.668 3.122 1.00 23.40 H new ATOM 0 HA GLN A 138 17.077 -9.709 5.446 1.00 3.23 H new ATOM 0 HB2 GLN A 138 19.141 -8.374 5.318 1.00 34.30 H new ATOM 0 HB3 GLN A 138 18.208 -6.966 4.851 1.00 34.30 H new ATOM 0 HG2 GLN A 138 18.677 -6.760 7.195 1.00 32.12 H new ATOM 0 HG3 GLN A 138 16.967 -7.113 7.039 1.00 32.12 H new ATOM 0 HE21 GLN A 138 16.503 -8.183 8.960 1.00 62.23 H new ATOM 0 HE22 GLN A 138 17.321 -9.660 9.479 1.00 62.23 H new ATOM 2206 N THR A 139 15.379 -7.185 4.096 1.00 1.24 N ATOM 2207 CA THR A 139 14.082 -6.509 4.071 1.00 43.23 C ATOM 2208 C THR A 139 12.917 -7.503 4.034 1.00 22.22 C ATOM 2209 O THR A 139 11.931 -7.365 4.755 1.00 70.44 O ATOM 2210 CB THR A 139 14.045 -5.593 2.836 1.00 63.31 C ATOM 2211 OG1 THR A 139 15.270 -4.902 2.678 1.00 5.21 O ATOM 2212 CG2 THR A 139 12.928 -4.562 2.905 1.00 64.34 C ATOM 0 H THR A 139 16.041 -6.807 3.418 1.00 1.24 H new ATOM 0 HA THR A 139 13.967 -5.927 4.985 1.00 43.23 H new ATOM 0 HB THR A 139 13.866 -6.251 1.986 1.00 63.31 H new ATOM 0 HG1 THR A 139 15.222 -4.328 1.885 1.00 5.21 H new ATOM 0 HG21 THR A 139 12.949 -3.943 2.008 1.00 64.34 H new ATOM 0 HG22 THR A 139 11.967 -5.071 2.972 1.00 64.34 H new ATOM 0 HG23 THR A 139 13.068 -3.933 3.784 1.00 64.34 H new ATOM 2220 N ILE A 140 13.032 -8.539 3.206 1.00 42.55 N ATOM 2221 CA ILE A 140 11.954 -9.487 2.997 1.00 23.24 C ATOM 2222 C ILE A 140 11.799 -10.359 4.256 1.00 11.44 C ATOM 2223 O ILE A 140 10.683 -10.773 4.570 1.00 71.21 O ATOM 2224 CB ILE A 140 12.202 -10.278 1.689 1.00 73.34 C ATOM 2225 CG1 ILE A 140 12.256 -9.363 0.442 1.00 64.11 C ATOM 2226 CG2 ILE A 140 11.052 -11.257 1.447 1.00 42.25 C ATOM 2227 CD1 ILE A 140 12.723 -10.081 -0.833 1.00 23.00 C ATOM 0 H ILE A 140 13.874 -8.739 2.666 1.00 42.55 H new ATOM 0 HA ILE A 140 10.998 -8.982 2.857 1.00 23.24 H new ATOM 0 HB ILE A 140 13.160 -10.782 1.819 1.00 73.34 H new ATOM 0 HG12 ILE A 140 11.266 -8.942 0.269 1.00 64.11 H new ATOM 0 HG13 ILE A 140 12.927 -8.528 0.644 1.00 64.11 H new ATOM 0 HG21 ILE A 140 11.233 -11.810 0.525 1.00 42.25 H new ATOM 0 HG22 ILE A 140 10.986 -11.955 2.282 1.00 42.25 H new ATOM 0 HG23 ILE A 140 10.116 -10.705 1.361 1.00 42.25 H new ATOM 0 HD11 ILE A 140 12.735 -9.376 -1.664 1.00 23.00 H new ATOM 0 HD12 ILE A 140 13.726 -10.479 -0.680 1.00 23.00 H new ATOM 0 HD13 ILE A 140 12.039 -10.899 -1.061 1.00 23.00 H new ATOM 2239 N GLN A 141 12.878 -10.659 4.987 1.00 24.00 N ATOM 2240 CA GLN A 141 12.824 -11.364 6.270 1.00 53.45 C ATOM 2241 C GLN A 141 12.067 -10.527 7.279 1.00 31.31 C ATOM 2242 O GLN A 141 11.138 -11.031 7.908 1.00 14.42 O ATOM 2243 CB GLN A 141 14.219 -11.739 6.799 1.00 52.25 C ATOM 2244 CG GLN A 141 15.041 -12.576 5.813 1.00 23.41 C ATOM 2245 CD GLN A 141 14.661 -14.056 5.754 1.00 31.00 C ATOM 2246 OE1 GLN A 141 13.494 -14.432 5.613 1.00 5.32 O ATOM 2247 NE2 GLN A 141 15.637 -14.944 5.739 1.00 53.51 N ATOM 0 H GLN A 141 13.826 -10.415 4.699 1.00 24.00 H new ATOM 0 HA GLN A 141 12.296 -12.304 6.110 1.00 53.45 H new ATOM 0 HB2 GLN A 141 14.767 -10.827 7.034 1.00 52.25 H new ATOM 0 HB3 GLN A 141 14.109 -12.294 7.731 1.00 52.25 H new ATOM 0 HG2 GLN A 141 14.933 -12.148 4.817 1.00 23.41 H new ATOM 0 HG3 GLN A 141 16.094 -12.496 6.081 1.00 23.41 H new ATOM 0 HE21 GLN A 141 16.604 -14.641 5.855 1.00 53.51 H new ATOM 0 HE22 GLN A 141 15.424 -15.933 5.611 1.00 53.51 H new ATOM 2256 N ASN A 142 12.448 -9.260 7.372 1.00 63.32 N ATOM 2257 CA ASN A 142 11.928 -8.329 8.368 1.00 4.53 C ATOM 2258 C ASN A 142 10.423 -8.169 8.216 1.00 2.41 C ATOM 2259 O ASN A 142 9.676 -8.236 9.188 1.00 2.30 O ATOM 2260 CB ASN A 142 12.541 -6.935 8.216 1.00 64.43 C ATOM 2261 CG ASN A 142 14.040 -6.836 8.407 1.00 24.11 C ATOM 2262 OD1 ASN A 142 14.783 -7.805 8.368 1.00 41.51 O ATOM 2263 ND2 ASN A 142 14.520 -5.619 8.523 1.00 62.21 N ATOM 0 H ASN A 142 13.138 -8.842 6.748 1.00 63.32 H new ATOM 0 HA ASN A 142 12.185 -8.746 9.342 1.00 4.53 H new ATOM 0 HB2 ASN A 142 12.298 -6.561 7.222 1.00 64.43 H new ATOM 0 HB3 ASN A 142 12.060 -6.270 8.933 1.00 64.43 H new ATOM 0 HD21 ASN A 142 15.528 -5.472 8.582 1.00 62.21 H new ATOM 0 HD22 ASN A 142 13.885 -4.821 8.554 1.00 62.21 H new ATOM 2270 N VAL A 143 9.984 -7.970 6.973 1.00 14.10 N ATOM 2271 CA VAL A 143 8.589 -7.674 6.643 1.00 31.14 C ATOM 2272 C VAL A 143 7.673 -8.799 7.129 1.00 63.32 C ATOM 2273 O VAL A 143 6.588 -8.529 7.644 1.00 71.43 O ATOM 2274 CB VAL A 143 8.466 -7.335 5.140 1.00 61.45 C ATOM 2275 CG1 VAL A 143 7.032 -7.372 4.590 1.00 51.12 C ATOM 2276 CG2 VAL A 143 8.986 -5.909 4.911 1.00 70.31 C ATOM 0 H VAL A 143 10.594 -8.010 6.157 1.00 14.10 H new ATOM 0 HA VAL A 143 8.249 -6.785 7.174 1.00 31.14 H new ATOM 0 HB VAL A 143 9.041 -8.101 4.620 1.00 61.45 H new ATOM 0 HG11 VAL A 143 7.043 -7.121 3.529 1.00 51.12 H new ATOM 0 HG12 VAL A 143 6.617 -8.371 4.723 1.00 51.12 H new ATOM 0 HG13 VAL A 143 6.417 -6.650 5.127 1.00 51.12 H new ATOM 0 HG21 VAL A 143 8.905 -5.657 3.854 1.00 70.31 H new ATOM 0 HG22 VAL A 143 8.393 -5.207 5.498 1.00 70.31 H new ATOM 0 HG23 VAL A 143 10.030 -5.849 5.219 1.00 70.31 H new ATOM 2286 N LYS A 144 8.113 -10.061 7.063 1.00 53.12 N ATOM 2287 CA LYS A 144 7.323 -11.156 7.618 1.00 25.30 C ATOM 2288 C LYS A 144 7.061 -10.992 9.115 1.00 34.22 C ATOM 2289 O LYS A 144 6.036 -11.491 9.584 1.00 63.13 O ATOM 2290 CB LYS A 144 8.060 -12.485 7.440 1.00 64.45 C ATOM 2291 CG LYS A 144 7.919 -13.096 6.048 1.00 30.14 C ATOM 2292 CD LYS A 144 8.957 -14.221 5.958 1.00 42.54 C ATOM 2293 CE LYS A 144 10.281 -13.621 5.490 1.00 64.44 C ATOM 2294 NZ LYS A 144 10.282 -13.491 4.026 1.00 43.33 N ATOM 0 H LYS A 144 8.997 -10.342 6.638 1.00 53.12 H new ATOM 0 HA LYS A 144 6.375 -11.144 7.080 1.00 25.30 H new ATOM 0 HB2 LYS A 144 9.118 -12.332 7.652 1.00 64.45 H new ATOM 0 HB3 LYS A 144 7.687 -13.196 8.177 1.00 64.45 H new ATOM 0 HG2 LYS A 144 6.912 -13.484 5.895 1.00 30.14 H new ATOM 0 HG3 LYS A 144 8.092 -12.346 5.276 1.00 30.14 H new ATOM 0 HD2 LYS A 144 9.081 -14.701 6.929 1.00 42.54 H new ATOM 0 HD3 LYS A 144 8.623 -14.990 5.262 1.00 42.54 H new ATOM 0 HE2 LYS A 144 10.431 -12.644 5.951 1.00 64.44 H new ATOM 0 HE3 LYS A 144 11.110 -14.254 5.808 1.00 64.44 H new ATOM 0 HZ1 LYS A 144 11.208 -13.782 3.652 1.00 43.33 H new ATOM 0 HZ2 LYS A 144 9.540 -14.098 3.623 1.00 43.33 H new ATOM 0 HZ3 LYS A 144 10.099 -12.501 3.765 1.00 43.33 H new ATOM 2308 N GLU A 145 7.985 -10.435 9.890 1.00 71.44 N ATOM 2309 CA GLU A 145 7.872 -10.340 11.339 1.00 4.22 C ATOM 2310 C GLU A 145 6.848 -9.282 11.693 1.00 11.32 C ATOM 2311 O GLU A 145 5.966 -9.557 12.505 1.00 72.52 O ATOM 2312 CB GLU A 145 9.228 -10.018 11.975 1.00 43.35 C ATOM 2313 CG GLU A 145 10.250 -11.068 11.538 1.00 44.55 C ATOM 2314 CD GLU A 145 11.636 -10.847 12.130 1.00 23.30 C ATOM 2315 OE1 GLU A 145 11.767 -10.346 13.264 1.00 25.40 O ATOM 2316 OE2 GLU A 145 12.605 -11.140 11.381 1.00 30.20 O ATOM 0 H GLU A 145 8.846 -10.031 9.523 1.00 71.44 H new ATOM 0 HA GLU A 145 7.545 -11.302 11.734 1.00 4.22 H new ATOM 0 HB2 GLU A 145 9.558 -9.024 11.673 1.00 43.35 H new ATOM 0 HB3 GLU A 145 9.141 -10.008 13.061 1.00 43.35 H new ATOM 0 HG2 GLU A 145 9.892 -12.056 11.829 1.00 44.55 H new ATOM 0 HG3 GLU A 145 10.323 -11.063 10.450 1.00 44.55 H new ATOM 2323 N GLU A 146 6.926 -8.122 11.037 1.00 41.42 N ATOM 2324 CA GLU A 146 5.940 -7.055 11.154 1.00 23.22 C ATOM 2325 C GLU A 146 4.560 -7.617 10.809 1.00 11.12 C ATOM 2326 O GLU A 146 3.630 -7.544 11.607 1.00 33.13 O ATOM 2327 CB GLU A 146 6.329 -5.872 10.254 1.00 1.43 C ATOM 2328 CG GLU A 146 7.665 -5.227 10.637 1.00 41.43 C ATOM 2329 CD GLU A 146 7.711 -3.722 10.339 1.00 11.30 C ATOM 2330 OE1 GLU A 146 7.102 -3.245 9.351 1.00 22.21 O ATOM 2331 OE2 GLU A 146 8.361 -2.976 11.107 1.00 11.04 O ATOM 0 H GLU A 146 7.690 -7.898 10.400 1.00 41.42 H new ATOM 0 HA GLU A 146 5.909 -6.677 12.176 1.00 23.22 H new ATOM 0 HB2 GLU A 146 6.383 -6.214 9.220 1.00 1.43 H new ATOM 0 HB3 GLU A 146 5.544 -5.117 10.300 1.00 1.43 H new ATOM 0 HG2 GLU A 146 7.848 -5.387 11.699 1.00 41.43 H new ATOM 0 HG3 GLU A 146 8.470 -5.724 10.096 1.00 41.43 H new ATOM 2338 N ASN A 147 4.445 -8.304 9.670 1.00 14.43 N ATOM 2339 CA ASN A 147 3.181 -8.875 9.209 1.00 25.33 C ATOM 2340 C ASN A 147 2.656 -9.991 10.103 1.00 73.52 C ATOM 2341 O ASN A 147 1.500 -10.400 9.959 1.00 50.11 O ATOM 2342 CB ASN A 147 3.338 -9.484 7.812 1.00 43.31 C ATOM 2343 CG ASN A 147 3.697 -8.447 6.774 1.00 34.00 C ATOM 2344 OD1 ASN A 147 3.517 -7.259 6.968 1.00 70.33 O ATOM 2345 ND2 ASN A 147 4.189 -8.888 5.632 1.00 10.21 N ATOM 0 H ASN A 147 5.229 -8.479 9.041 1.00 14.43 H new ATOM 0 HA ASN A 147 2.479 -8.041 9.220 1.00 25.33 H new ATOM 0 HB2 ASN A 147 4.110 -10.253 7.837 1.00 43.31 H new ATOM 0 HB3 ASN A 147 2.408 -9.976 7.525 1.00 43.31 H new ATOM 0 HD21 ASN A 147 4.427 -8.229 4.891 1.00 10.21 H new ATOM 0 HD22 ASN A 147 4.332 -9.888 5.491 1.00 10.21 H new ATOM 2352 N ALA A 148 3.505 -10.564 10.953 1.00 42.34 N ATOM 2353 CA ALA A 148 3.092 -11.578 11.896 1.00 11.03 C ATOM 2354 C ALA A 148 2.600 -10.914 13.177 1.00 23.41 C ATOM 2355 O ALA A 148 1.537 -11.284 13.658 1.00 24.23 O ATOM 2356 CB ALA A 148 4.236 -12.561 12.154 1.00 13.01 C ATOM 0 H ALA A 148 4.497 -10.332 11.000 1.00 42.34 H new ATOM 0 HA ALA A 148 2.265 -12.154 11.481 1.00 11.03 H new ATOM 0 HB1 ALA A 148 3.911 -13.319 12.866 1.00 13.01 H new ATOM 0 HB2 ALA A 148 4.521 -13.041 11.218 1.00 13.01 H new ATOM 0 HB3 ALA A 148 5.092 -12.024 12.562 1.00 13.01 H new ATOM 2362 N ALA A 149 3.318 -9.910 13.688 1.00 62.15 N ATOM 2363 CA ALA A 149 2.851 -9.131 14.824 1.00 24.23 C ATOM 2364 C ALA A 149 1.497 -8.504 14.492 1.00 54.32 C ATOM 2365 O ALA A 149 0.572 -8.580 15.297 1.00 22.33 O ATOM 2366 CB ALA A 149 3.888 -8.072 15.196 1.00 52.22 C ATOM 0 H ALA A 149 4.227 -9.622 13.327 1.00 62.15 H new ATOM 0 HA ALA A 149 2.720 -9.781 15.689 1.00 24.23 H new ATOM 0 HB1 ALA A 149 3.529 -7.494 16.048 1.00 52.22 H new ATOM 0 HB2 ALA A 149 4.827 -8.559 15.458 1.00 52.22 H new ATOM 0 HB3 ALA A 149 4.049 -7.406 14.348 1.00 52.22 H new ATOM 2372 N PHE A 150 1.352 -7.970 13.273 1.00 11.32 N ATOM 2373 CA PHE A 150 0.114 -7.392 12.778 1.00 45.11 C ATOM 2374 C PHE A 150 -1.061 -8.343 12.990 1.00 62.45 C ATOM 2375 O PHE A 150 -2.071 -7.953 13.570 1.00 52.04 O ATOM 2376 CB PHE A 150 0.242 -6.991 11.298 1.00 51.33 C ATOM 2377 CG PHE A 150 -0.964 -6.209 10.809 1.00 72.25 C ATOM 2378 CD1 PHE A 150 -2.177 -6.859 10.510 1.00 62.32 C ATOM 2379 CD2 PHE A 150 -0.913 -4.807 10.764 1.00 4.20 C ATOM 2380 CE1 PHE A 150 -3.330 -6.110 10.227 1.00 2.01 C ATOM 2381 CE2 PHE A 150 -2.068 -4.059 10.492 1.00 1.41 C ATOM 2382 CZ PHE A 150 -3.289 -4.707 10.257 1.00 52.35 C ATOM 0 H PHE A 150 2.113 -7.931 12.595 1.00 11.32 H new ATOM 0 HA PHE A 150 -0.083 -6.487 13.352 1.00 45.11 H new ATOM 0 HB2 PHE A 150 1.141 -6.390 11.163 1.00 51.33 H new ATOM 0 HB3 PHE A 150 0.363 -7.887 10.690 1.00 51.33 H new ATOM 0 HD1 PHE A 150 -2.220 -7.938 10.498 1.00 62.32 H new ATOM 0 HD2 PHE A 150 0.024 -4.300 10.940 1.00 4.20 H new ATOM 0 HE1 PHE A 150 -4.253 -6.616 9.985 1.00 2.01 H new ATOM 0 HE2 PHE A 150 -2.017 -2.981 10.463 1.00 1.41 H new ATOM 0 HZ PHE A 150 -4.190 -4.132 10.100 1.00 52.35 H new ATOM 2392 N LYS A 151 -0.966 -9.579 12.488 1.00 10.44 N ATOM 2393 CA LYS A 151 -2.058 -10.539 12.568 1.00 42.11 C ATOM 2394 C LYS A 151 -2.379 -10.945 14.012 1.00 12.30 C ATOM 2395 O LYS A 151 -3.409 -11.569 14.238 1.00 30.44 O ATOM 2396 CB LYS A 151 -1.730 -11.747 11.673 1.00 14.02 C ATOM 2397 CG LYS A 151 -1.085 -12.879 12.492 1.00 52.14 C ATOM 2398 CD LYS A 151 -0.169 -13.868 11.786 1.00 50.33 C ATOM 2399 CE LYS A 151 -0.681 -14.168 10.392 1.00 33.23 C ATOM 2400 NZ LYS A 151 -1.978 -14.878 10.433 1.00 64.33 N ATOM 0 H LYS A 151 -0.133 -9.935 12.019 1.00 10.44 H new ATOM 0 HA LYS A 151 -2.969 -10.067 12.200 1.00 42.11 H new ATOM 0 HB2 LYS A 151 -2.641 -12.110 11.198 1.00 14.02 H new ATOM 0 HB3 LYS A 151 -1.054 -11.440 10.874 1.00 14.02 H new ATOM 0 HG2 LYS A 151 -0.514 -12.418 13.298 1.00 52.14 H new ATOM 0 HG3 LYS A 151 -1.889 -13.449 12.957 1.00 52.14 H new ATOM 0 HD2 LYS A 151 0.840 -13.460 11.729 1.00 50.33 H new ATOM 0 HD3 LYS A 151 -0.107 -14.791 12.363 1.00 50.33 H new ATOM 0 HE2 LYS A 151 -0.792 -13.237 9.836 1.00 33.23 H new ATOM 0 HE3 LYS A 151 0.050 -14.774 9.857 1.00 33.23 H new ATOM 0 HZ1 LYS A 151 -2.259 -15.143 9.468 1.00 64.33 H new ATOM 0 HZ2 LYS A 151 -1.886 -15.735 11.015 1.00 64.33 H new ATOM 0 HZ3 LYS A 151 -2.702 -14.255 10.846 1.00 64.33 H new ATOM 2414 N GLU A 152 -1.469 -10.735 14.952 1.00 65.43 N ATOM 2415 CA GLU A 152 -1.685 -11.090 16.334 1.00 41.12 C ATOM 2416 C GLU A 152 -2.463 -9.946 16.985 1.00 23.54 C ATOM 2417 O GLU A 152 -3.495 -10.156 17.614 1.00 13.30 O ATOM 2418 CB GLU A 152 -0.345 -11.401 17.000 1.00 64.34 C ATOM 2419 CG GLU A 152 -0.502 -12.699 17.796 1.00 23.30 C ATOM 2420 CD GLU A 152 -0.264 -13.998 17.024 1.00 44.23 C ATOM 2421 OE1 GLU A 152 -0.617 -14.118 15.829 1.00 5.02 O ATOM 2422 OE2 GLU A 152 0.223 -14.958 17.667 1.00 2.32 O ATOM 0 H GLU A 152 -0.559 -10.312 14.770 1.00 65.43 H new ATOM 0 HA GLU A 152 -2.279 -11.997 16.444 1.00 41.12 H new ATOM 0 HB2 GLU A 152 0.438 -11.507 16.249 1.00 64.34 H new ATOM 0 HB3 GLU A 152 -0.048 -10.584 17.658 1.00 64.34 H new ATOM 0 HG2 GLU A 152 0.189 -12.670 18.639 1.00 23.30 H new ATOM 0 HG3 GLU A 152 -1.510 -12.727 18.211 1.00 23.30 H new ATOM 2429 N ILE A 153 -1.983 -8.718 16.795 1.00 73.11 N ATOM 2430 CA ILE A 153 -2.480 -7.523 17.458 1.00 14.01 C ATOM 2431 C ILE A 153 -3.832 -7.092 16.865 1.00 52.41 C ATOM 2432 O ILE A 153 -4.718 -6.685 17.624 1.00 14.22 O ATOM 2433 CB ILE A 153 -1.411 -6.416 17.368 1.00 65.43 C ATOM 2434 CG1 ILE A 153 -0.061 -6.850 18.005 1.00 54.33 C ATOM 2435 CG2 ILE A 153 -1.881 -5.126 18.070 1.00 32.51 C ATOM 2436 CD1 ILE A 153 1.130 -6.002 17.539 1.00 30.40 C ATOM 0 H ILE A 153 -1.213 -8.526 16.154 1.00 73.11 H new ATOM 0 HA ILE A 153 -2.663 -7.730 18.512 1.00 14.01 H new ATOM 0 HB ILE A 153 -1.261 -6.231 16.304 1.00 65.43 H new ATOM 0 HG12 ILE A 153 -0.142 -6.785 19.090 1.00 54.33 H new ATOM 0 HG13 ILE A 153 0.129 -7.895 17.761 1.00 54.33 H new ATOM 0 HG21 ILE A 153 -1.105 -4.364 17.989 1.00 32.51 H new ATOM 0 HG22 ILE A 153 -2.794 -4.766 17.596 1.00 32.51 H new ATOM 0 HG23 ILE A 153 -2.076 -5.335 19.122 1.00 32.51 H new ATOM 0 HD11 ILE A 153 2.041 -6.358 18.021 1.00 30.40 H new ATOM 0 HD12 ILE A 153 1.235 -6.086 16.457 1.00 30.40 H new ATOM 0 HD13 ILE A 153 0.961 -4.959 17.807 1.00 30.40 H new ATOM 2448 N HIS A 154 -3.991 -7.120 15.539 1.00 71.13 N ATOM 2449 CA HIS A 154 -5.158 -6.591 14.825 1.00 73.55 C ATOM 2450 C HIS A 154 -5.336 -7.292 13.458 1.00 72.32 C ATOM 2451 O HIS A 154 -5.110 -6.676 12.421 1.00 63.55 O ATOM 2452 CB HIS A 154 -5.047 -5.056 14.695 1.00 51.43 C ATOM 2453 CG HIS A 154 -3.652 -4.505 14.494 1.00 71.41 C ATOM 2454 ND1 HIS A 154 -3.108 -3.464 15.188 1.00 65.41 N flip ATOM 2455 CD2 HIS A 154 -2.680 -4.986 13.650 1.00 22.54 C flip ATOM 2456 CE1 HIS A 154 -1.772 -3.326 14.801 1.00 25.54 C flip ATOM 2457 NE2 HIS A 154 -1.564 -4.267 13.863 1.00 50.21 N flip ATOM 0 H HIS A 154 -3.292 -7.522 14.914 1.00 71.13 H new ATOM 0 HA HIS A 154 -6.058 -6.806 15.401 1.00 73.55 H new ATOM 0 HB2 HIS A 154 -5.666 -4.737 13.857 1.00 51.43 H new ATOM 0 HB3 HIS A 154 -5.469 -4.604 15.593 1.00 51.43 H new ATOM 0 HD2 HIS A 154 -2.792 -5.795 12.943 1.00 22.54 H new ATOM 0 HE1 HIS A 154 -1.055 -2.611 15.177 1.00 25.54 H new ATOM 0 HE2 HIS A 154 -0.679 -4.415 13.378 1.00 50.21 H new ATOM 2465 N PRO A 155 -5.713 -8.580 13.428 1.00 54.15 N ATOM 2466 CA PRO A 155 -5.935 -9.349 12.197 1.00 31.41 C ATOM 2467 C PRO A 155 -7.213 -9.027 11.430 1.00 44.05 C ATOM 2468 O PRO A 155 -8.059 -8.238 11.907 1.00 65.31 O ATOM 2469 CB PRO A 155 -5.967 -10.814 12.632 1.00 41.21 C ATOM 2470 CG PRO A 155 -6.376 -10.748 14.099 1.00 23.51 C ATOM 2471 CD PRO A 155 -5.822 -9.426 14.599 1.00 64.23 C ATOM 0 HA PRO A 155 -5.137 -9.097 11.498 1.00 31.41 H new ATOM 0 HB2 PRO A 155 -6.680 -11.391 12.043 1.00 41.21 H new ATOM 0 HB3 PRO A 155 -4.994 -11.289 12.509 1.00 41.21 H new ATOM 0 HG2 PRO A 155 -7.460 -10.790 14.209 1.00 23.51 H new ATOM 0 HG3 PRO A 155 -5.966 -11.587 14.662 1.00 23.51 H new ATOM 0 HD2 PRO A 155 -6.482 -8.981 15.344 1.00 64.23 H new ATOM 0 HD3 PRO A 155 -4.851 -9.563 15.075 1.00 64.23 H new TER 2479 PRO A 155