USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 600 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 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= -0.594 USER MOD Set 1.3: A 70 GLN : amide:sc= -0.941 K(o=-1.5,f=-0.93) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 142:sc= -0.148 (180deg=-0.744) USER MOD Single : A 20 GLN : amide:sc= -2.91! K(o=-2.9!,f=-2.1) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 153:sc= -0.99 USER MOD Single : A 25 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-3.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -171:sc= -0.531 (180deg=-0.812) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -0.117 (180deg=-0.691) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -2.7! K(o=-2.7!,f=-0.86) USER MOD Single : A 66 MET CE :methyl 157:sc= -0.589 (180deg=-2.18) USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= -0.242 (180deg=-1.12) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 43:sc= 0.215 USER MOD Single : A 80 TYR OH : rot 130:sc= -1.39! USER MOD Single : A 96 THR OG1 : rot 32:sc= 0.537 USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= -0.188 (180deg=-0.794) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -52.229 -31.569 59.977 1.00 0.00 N ATOM 11 CA VAL A 2 -51.949 -32.637 60.995 1.00 0.00 C ATOM 12 C VAL A 2 -52.778 -33.874 60.661 1.00 0.00 C ATOM 13 O VAL A 2 -53.851 -33.771 60.100 1.00 0.00 O ATOM 14 CB VAL A 2 -52.339 -32.123 62.384 1.00 0.00 C ATOM 15 CG1 VAL A 2 -53.854 -31.802 62.431 1.00 0.00 C ATOM 16 CG2 VAL A 2 -52.050 -33.202 63.443 1.00 0.00 C ATOM 0 HA VAL A 2 -50.889 -32.891 60.984 1.00 0.00 H new ATOM 0 HB VAL A 2 -51.758 -31.224 62.589 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -54.118 -31.438 63.424 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -54.087 -31.037 61.690 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -54.424 -32.705 62.212 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -52.330 -32.829 64.428 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -52.628 -34.098 63.217 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -50.987 -33.444 63.435 1.00 0.00 H new ATOM 26 N GLN A 3 -52.270 -35.026 61.012 1.00 0.00 N ATOM 27 CA GLN A 3 -53.004 -36.303 60.738 1.00 0.00 C ATOM 28 C GLN A 3 -53.229 -36.974 62.087 1.00 0.00 C ATOM 29 O GLN A 3 -52.499 -36.741 63.030 1.00 0.00 O ATOM 30 CB GLN A 3 -52.152 -37.197 59.842 1.00 0.00 C ATOM 31 CG GLN A 3 -51.901 -36.460 58.527 1.00 0.00 C ATOM 32 CD GLN A 3 -51.045 -37.342 57.617 1.00 0.00 C ATOM 33 OE1 GLN A 3 -51.421 -38.443 57.266 1.00 0.00 O ATOM 34 NE2 GLN A 3 -49.887 -36.895 57.212 1.00 0.00 N ATOM 0 H GLN A 3 -51.371 -35.141 61.481 1.00 0.00 H new ATOM 0 HA GLN A 3 -53.952 -36.120 60.232 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -51.207 -37.434 60.331 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -52.661 -38.143 59.656 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -52.848 -36.225 58.041 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -51.396 -35.513 58.717 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -49.566 -35.972 57.504 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -49.303 -37.469 56.604 1.00 0.00 H new ATOM 43 N VAL A 4 -54.239 -37.800 62.153 1.00 0.00 N ATOM 44 CA VAL A 4 -54.573 -38.526 63.423 1.00 0.00 C ATOM 45 C VAL A 4 -54.639 -40.027 63.129 1.00 0.00 C ATOM 46 O VAL A 4 -55.399 -40.464 62.288 1.00 0.00 O ATOM 47 CB VAL A 4 -55.936 -38.057 63.928 1.00 0.00 C ATOM 48 CG1 VAL A 4 -56.258 -38.709 65.280 1.00 0.00 C ATOM 49 CG2 VAL A 4 -55.933 -36.535 64.059 1.00 0.00 C ATOM 0 H VAL A 4 -54.859 -38.008 61.370 1.00 0.00 H new ATOM 0 HA VAL A 4 -53.813 -38.324 64.178 1.00 0.00 H new ATOM 0 HB VAL A 4 -56.704 -38.354 63.214 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -57.232 -38.365 65.627 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -56.275 -39.793 65.166 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -55.495 -38.433 66.008 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -56.905 -36.199 64.419 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -55.160 -36.232 64.765 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -55.732 -36.086 63.086 1.00 0.00 H new ATOM 59 N GLU A 5 -53.840 -40.787 63.826 1.00 0.00 N ATOM 60 CA GLU A 5 -53.812 -42.275 63.636 1.00 0.00 C ATOM 61 C GLU A 5 -54.176 -42.865 64.995 1.00 0.00 C ATOM 62 O GLU A 5 -53.326 -43.065 65.841 1.00 0.00 O ATOM 63 CB GLU A 5 -52.403 -42.729 63.219 1.00 0.00 C ATOM 64 CG GLU A 5 -52.052 -42.150 61.840 1.00 0.00 C ATOM 65 CD GLU A 5 -51.975 -40.624 61.918 1.00 0.00 C ATOM 66 OE1 GLU A 5 -51.148 -40.164 62.689 1.00 0.00 O ATOM 67 OE2 GLU A 5 -52.749 -40.009 61.204 1.00 0.00 O ATOM 0 H GLU A 5 -53.192 -40.438 64.533 1.00 0.00 H new ATOM 0 HA GLU A 5 -54.501 -42.599 62.856 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -51.672 -42.400 63.958 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -52.357 -43.818 63.188 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -51.099 -42.554 61.499 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -52.804 -42.448 61.109 1.00 0.00 H new ATOM 74 N THR A 6 -55.440 -43.133 65.175 1.00 0.00 N ATOM 75 CA THR A 6 -55.870 -43.703 66.480 1.00 0.00 C ATOM 76 C THR A 6 -55.379 -45.136 66.670 1.00 0.00 C ATOM 77 O THR A 6 -55.100 -45.851 65.728 1.00 0.00 O ATOM 78 CB THR A 6 -57.400 -43.657 66.541 1.00 0.00 C ATOM 79 OG1 THR A 6 -57.708 -42.275 66.430 1.00 0.00 O ATOM 80 CG2 THR A 6 -57.917 -44.046 67.932 1.00 0.00 C ATOM 0 H THR A 6 -56.180 -42.985 64.489 1.00 0.00 H new ATOM 0 HA THR A 6 -55.433 -43.111 67.284 1.00 0.00 H new ATOM 0 HB THR A 6 -57.826 -44.317 65.786 1.00 0.00 H new ATOM 0 HG1 THR A 6 -58.680 -42.153 66.459 1.00 0.00 H new ATOM 0 HG21 THR A 6 -59.006 -44.003 67.941 1.00 0.00 H new ATOM 0 HG22 THR A 6 -57.592 -45.059 68.171 1.00 0.00 H new ATOM 0 HG23 THR A 6 -57.521 -43.353 68.674 1.00 0.00 H new ATOM 88 N ILE A 7 -55.292 -45.504 67.921 1.00 0.00 N ATOM 89 CA ILE A 7 -54.831 -46.868 68.327 1.00 0.00 C ATOM 90 C ILE A 7 -55.947 -47.502 69.155 1.00 0.00 C ATOM 91 O ILE A 7 -56.420 -48.581 68.853 1.00 0.00 O ATOM 92 CB ILE A 7 -53.551 -46.735 69.175 1.00 0.00 C ATOM 93 CG1 ILE A 7 -52.483 -46.014 68.319 1.00 0.00 C ATOM 94 CG2 ILE A 7 -53.065 -48.162 69.528 1.00 0.00 C ATOM 95 CD1 ILE A 7 -51.319 -45.524 69.195 1.00 0.00 C ATOM 0 H ILE A 7 -55.529 -44.896 68.705 1.00 0.00 H new ATOM 0 HA ILE A 7 -54.610 -47.486 67.457 1.00 0.00 H new ATOM 0 HB ILE A 7 -53.732 -46.169 70.089 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -52.107 -46.692 67.553 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -52.936 -45.168 67.802 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -52.158 -48.099 70.129 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -53.840 -48.681 70.093 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -52.855 -48.712 68.611 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -50.581 -45.020 68.571 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -51.696 -44.828 69.945 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -50.854 -46.376 69.692 1.00 0.00 H new ATOM 107 N SER A 8 -56.344 -46.806 70.191 1.00 0.00 N ATOM 108 CA SER A 8 -57.434 -47.312 71.098 1.00 0.00 C ATOM 109 C SER A 8 -58.588 -46.303 71.204 1.00 0.00 C ATOM 110 O SER A 8 -58.621 -45.539 72.148 1.00 0.00 O ATOM 111 CB SER A 8 -56.859 -47.555 72.491 1.00 0.00 C ATOM 112 OG SER A 8 -57.954 -48.106 73.206 1.00 0.00 O ATOM 0 H SER A 8 -55.959 -45.899 70.454 1.00 0.00 H new ATOM 0 HA SER A 8 -57.823 -48.239 70.676 1.00 0.00 H new ATOM 0 HB2 SER A 8 -56.012 -48.240 72.462 1.00 0.00 H new ATOM 0 HB3 SER A 8 -56.506 -46.630 72.947 1.00 0.00 H new ATOM 0 HG SER A 8 -57.679 -48.300 74.126 1.00 0.00 H new ATOM 118 N PRO A 9 -59.495 -46.307 70.258 1.00 0.00 N ATOM 119 CA PRO A 9 -60.653 -45.379 70.254 1.00 0.00 C ATOM 120 C PRO A 9 -61.208 -45.082 71.655 1.00 0.00 C ATOM 121 O PRO A 9 -60.923 -45.777 72.610 1.00 0.00 O ATOM 122 CB PRO A 9 -61.634 -46.072 69.319 1.00 0.00 C ATOM 123 CG PRO A 9 -60.677 -46.639 68.243 1.00 0.00 C ATOM 124 CD PRO A 9 -59.519 -47.219 69.081 1.00 0.00 C ATOM 0 HA PRO A 9 -60.398 -44.375 69.914 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -62.198 -46.857 69.823 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -62.361 -45.378 68.898 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -61.160 -47.405 67.637 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -60.332 -45.863 67.560 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -59.705 -48.253 69.371 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -58.575 -47.205 68.536 1.00 0.00 H new ATOM 132 N GLY A 10 -62.002 -44.047 71.740 1.00 0.00 N ATOM 133 CA GLY A 10 -62.621 -43.638 73.043 1.00 0.00 C ATOM 134 C GLY A 10 -64.123 -43.864 72.879 1.00 0.00 C ATOM 135 O GLY A 10 -64.542 -44.360 71.851 1.00 0.00 O ATOM 0 H GLY A 10 -62.254 -43.455 70.949 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -62.224 -44.230 73.867 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -62.405 -42.594 73.268 1.00 0.00 H new ATOM 139 N ASP A 11 -64.915 -43.515 73.861 1.00 0.00 N ATOM 140 CA ASP A 11 -66.380 -43.728 73.725 1.00 0.00 C ATOM 141 C ASP A 11 -66.885 -43.306 72.341 1.00 0.00 C ATOM 142 O ASP A 11 -67.443 -44.092 71.600 1.00 0.00 O ATOM 143 CB ASP A 11 -67.076 -42.927 74.825 1.00 0.00 C ATOM 144 CG ASP A 11 -66.631 -41.472 74.736 1.00 0.00 C ATOM 145 OD1 ASP A 11 -65.431 -41.264 74.797 1.00 0.00 O ATOM 146 OD2 ASP A 11 -67.525 -40.653 74.613 1.00 0.00 O ATOM 0 H ASP A 11 -64.611 -43.097 74.740 1.00 0.00 H new ATOM 0 HA ASP A 11 -66.606 -44.789 73.828 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -68.158 -42.997 74.715 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -66.828 -43.337 75.804 1.00 0.00 H new ATOM 151 N GLY A 12 -66.667 -42.054 72.037 1.00 0.00 N ATOM 152 CA GLY A 12 -67.093 -41.474 70.726 1.00 0.00 C ATOM 153 C GLY A 12 -68.256 -40.529 70.993 1.00 0.00 C ATOM 154 O GLY A 12 -69.083 -40.280 70.138 1.00 0.00 O ATOM 0 H GLY A 12 -66.200 -41.392 72.657 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -66.266 -40.940 70.258 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -67.393 -42.264 70.038 1.00 0.00 H new ATOM 158 N ARG A 13 -68.282 -40.022 72.199 1.00 0.00 N ATOM 159 CA ARG A 13 -69.360 -39.077 72.631 1.00 0.00 C ATOM 160 C ARG A 13 -68.778 -37.849 73.332 1.00 0.00 C ATOM 161 O ARG A 13 -69.295 -36.763 73.160 1.00 0.00 O ATOM 162 CB ARG A 13 -70.316 -39.800 73.594 1.00 0.00 C ATOM 163 CG ARG A 13 -70.896 -41.071 72.946 1.00 0.00 C ATOM 164 CD ARG A 13 -71.955 -40.722 71.886 1.00 0.00 C ATOM 165 NE ARG A 13 -73.022 -39.906 72.552 1.00 0.00 N ATOM 166 CZ ARG A 13 -73.336 -38.704 72.137 1.00 0.00 C ATOM 167 NH1 ARG A 13 -72.481 -38.022 71.424 1.00 0.00 N ATOM 168 NH2 ARG A 13 -74.507 -38.222 72.452 1.00 0.00 N ATOM 0 H ARG A 13 -67.588 -40.227 72.918 1.00 0.00 H new ATOM 0 HA ARG A 13 -69.895 -38.744 71.742 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -69.785 -40.064 74.509 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -71.127 -39.130 73.878 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -70.093 -41.646 72.486 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -71.341 -41.703 73.714 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -71.504 -40.164 71.066 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -72.380 -41.630 71.458 1.00 0.00 H new ATOM 0 HE ARG A 13 -73.518 -40.299 73.352 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -71.573 -38.426 71.193 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -72.721 -37.086 71.098 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -75.155 -38.779 73.010 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -74.775 -37.288 72.141 1.00 0.00 H new ATOM 182 N THR A 14 -67.727 -38.012 74.105 1.00 0.00 N ATOM 183 CA THR A 14 -67.127 -36.830 74.821 1.00 0.00 C ATOM 184 C THR A 14 -65.751 -36.453 74.283 1.00 0.00 C ATOM 185 O THR A 14 -64.867 -37.278 74.162 1.00 0.00 O ATOM 186 CB THR A 14 -66.977 -37.163 76.287 1.00 0.00 C ATOM 187 OG1 THR A 14 -68.276 -37.559 76.704 1.00 0.00 O ATOM 188 CG2 THR A 14 -66.676 -35.908 77.115 1.00 0.00 C ATOM 0 H THR A 14 -67.260 -38.903 74.272 1.00 0.00 H new ATOM 0 HA THR A 14 -67.799 -35.986 74.663 1.00 0.00 H new ATOM 0 HB THR A 14 -66.185 -37.900 76.420 1.00 0.00 H new ATOM 0 HG1 THR A 14 -68.257 -37.794 77.655 1.00 0.00 H new ATOM 0 HG21 THR A 14 -66.574 -36.181 78.165 1.00 0.00 H new ATOM 0 HG22 THR A 14 -65.748 -35.456 76.766 1.00 0.00 H new ATOM 0 HG23 THR A 14 -67.492 -35.194 77.003 1.00 0.00 H new ATOM 196 N PHE A 15 -65.612 -35.189 73.972 1.00 0.00 N ATOM 197 CA PHE A 15 -64.330 -34.630 73.437 1.00 0.00 C ATOM 198 C PHE A 15 -64.007 -33.389 74.280 1.00 0.00 C ATOM 199 O PHE A 15 -64.842 -32.986 75.066 1.00 0.00 O ATOM 200 CB PHE A 15 -64.538 -34.231 71.991 1.00 0.00 C ATOM 201 CG PHE A 15 -64.886 -35.465 71.166 1.00 0.00 C ATOM 202 CD1 PHE A 15 -66.136 -36.038 71.271 1.00 0.00 C ATOM 203 CD2 PHE A 15 -63.955 -36.003 70.303 1.00 0.00 C ATOM 204 CE1 PHE A 15 -66.458 -37.145 70.512 1.00 0.00 C ATOM 205 CE2 PHE A 15 -64.272 -37.109 69.542 1.00 0.00 C ATOM 206 CZ PHE A 15 -65.525 -37.680 69.645 1.00 0.00 C ATOM 0 H PHE A 15 -66.357 -34.499 74.070 1.00 0.00 H new ATOM 0 HA PHE A 15 -63.518 -35.355 73.487 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -65.338 -33.494 71.918 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -63.636 -33.762 71.599 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -66.865 -35.619 71.949 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -62.975 -35.557 70.223 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -67.438 -37.592 70.596 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -63.541 -37.528 68.866 1.00 0.00 H new ATOM 0 HZ PHE A 15 -65.776 -38.544 69.048 1.00 0.00 H new ATOM 216 N PRO A 16 -62.848 -32.793 74.137 1.00 0.00 N ATOM 217 CA PRO A 16 -62.622 -31.439 74.705 1.00 0.00 C ATOM 218 C PRO A 16 -63.689 -30.435 74.254 1.00 0.00 C ATOM 219 O PRO A 16 -64.176 -30.508 73.143 1.00 0.00 O ATOM 220 CB PRO A 16 -61.223 -31.085 74.241 1.00 0.00 C ATOM 221 CG PRO A 16 -60.541 -32.476 74.180 1.00 0.00 C ATOM 222 CD PRO A 16 -61.616 -33.310 73.464 1.00 0.00 C ATOM 0 HA PRO A 16 -62.705 -31.414 75.792 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -61.228 -30.590 73.270 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -60.720 -30.414 74.937 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -59.604 -32.450 73.624 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -60.312 -32.865 75.172 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -61.627 -33.138 72.388 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -61.479 -34.381 73.614 1.00 0.00 H new ATOM 230 N LYS A 17 -64.034 -29.513 75.119 1.00 0.00 N ATOM 231 CA LYS A 17 -65.052 -28.479 74.807 1.00 0.00 C ATOM 232 C LYS A 17 -64.476 -27.066 74.973 1.00 0.00 C ATOM 233 O LYS A 17 -63.413 -26.855 75.526 1.00 0.00 O ATOM 234 CB LYS A 17 -66.191 -28.696 75.747 1.00 0.00 C ATOM 235 CG LYS A 17 -66.798 -30.079 75.467 1.00 0.00 C ATOM 236 CD LYS A 17 -67.918 -30.414 76.475 1.00 0.00 C ATOM 237 CE LYS A 17 -69.128 -29.482 76.296 1.00 0.00 C ATOM 238 NZ LYS A 17 -69.598 -29.518 74.882 1.00 0.00 N ATOM 0 H LYS A 17 -63.636 -29.438 76.055 1.00 0.00 H new ATOM 0 HA LYS A 17 -65.378 -28.565 73.770 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -65.847 -28.636 76.779 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -66.944 -27.919 75.616 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -67.198 -30.104 74.453 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -66.018 -30.839 75.521 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -68.231 -31.450 76.343 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -67.534 -30.324 77.491 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -69.934 -29.788 76.963 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -68.856 -28.463 76.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -70.637 -29.477 74.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -69.209 -28.703 74.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -69.277 -30.399 74.432 1.00 0.00 H new ATOM 252 N ARG A 18 -65.242 -26.128 74.486 1.00 0.00 N ATOM 253 CA ARG A 18 -64.886 -24.696 74.531 1.00 0.00 C ATOM 254 C ARG A 18 -65.204 -24.080 75.885 1.00 0.00 C ATOM 255 O ARG A 18 -66.304 -23.635 76.144 1.00 0.00 O ATOM 256 CB ARG A 18 -65.659 -23.957 73.440 1.00 0.00 C ATOM 257 CG ARG A 18 -65.259 -24.527 72.079 1.00 0.00 C ATOM 258 CD ARG A 18 -66.037 -23.779 70.995 1.00 0.00 C ATOM 259 NE ARG A 18 -65.690 -22.323 71.102 1.00 0.00 N ATOM 260 CZ ARG A 18 -66.603 -21.419 71.351 1.00 0.00 C ATOM 261 NH1 ARG A 18 -67.803 -21.586 70.865 1.00 0.00 N ATOM 262 NH2 ARG A 18 -66.284 -20.381 72.075 1.00 0.00 N ATOM 0 H ARG A 18 -66.140 -26.315 74.040 1.00 0.00 H new ATOM 0 HA ARG A 18 -63.812 -24.605 74.368 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -66.732 -24.070 73.596 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -65.441 -22.890 73.481 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -64.186 -24.415 71.921 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -65.478 -25.594 72.035 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -65.779 -24.161 70.007 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -67.109 -23.926 71.124 1.00 0.00 H new ATOM 0 HE ARG A 18 -64.721 -22.031 70.978 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -68.015 -22.410 70.302 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -68.528 -20.893 71.048 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -65.335 -20.284 72.437 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -66.983 -19.667 72.279 1.00 0.00 H new ATOM 276 N GLY A 19 -64.202 -24.077 76.722 1.00 0.00 N ATOM 277 CA GLY A 19 -64.329 -23.514 78.099 1.00 0.00 C ATOM 278 C GLY A 19 -63.847 -24.559 79.099 1.00 0.00 C ATOM 279 O GLY A 19 -63.914 -24.351 80.295 1.00 0.00 O ATOM 0 H GLY A 19 -63.278 -24.450 76.504 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -63.739 -22.602 78.191 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -65.365 -23.245 78.303 1.00 0.00 H new ATOM 283 N GLN A 20 -63.365 -25.672 78.598 1.00 0.00 N ATOM 284 CA GLN A 20 -62.862 -26.759 79.510 1.00 0.00 C ATOM 285 C GLN A 20 -61.372 -26.991 79.257 1.00 0.00 C ATOM 286 O GLN A 20 -60.797 -26.425 78.349 1.00 0.00 O ATOM 287 CB GLN A 20 -63.638 -28.045 79.230 1.00 0.00 C ATOM 288 CG GLN A 20 -65.115 -27.802 79.551 1.00 0.00 C ATOM 289 CD GLN A 20 -65.895 -29.100 79.327 1.00 0.00 C ATOM 290 OE1 GLN A 20 -67.093 -29.161 79.519 1.00 0.00 O ATOM 291 NE2 GLN A 20 -65.252 -30.162 78.922 1.00 0.00 N ATOM 0 H GLN A 20 -63.297 -25.878 77.601 1.00 0.00 H new ATOM 0 HA GLN A 20 -63.006 -26.464 80.549 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -63.521 -28.338 78.187 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -63.248 -28.862 79.837 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -65.226 -27.470 80.583 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -65.513 -27.010 78.917 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -64.246 -30.118 78.759 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -65.756 -31.036 78.769 1.00 0.00 H new ATOM 300 N THR A 21 -60.774 -27.825 80.066 1.00 0.00 N ATOM 301 CA THR A 21 -59.315 -28.131 79.913 1.00 0.00 C ATOM 302 C THR A 21 -59.245 -29.566 79.417 1.00 0.00 C ATOM 303 O THR A 21 -60.216 -30.293 79.497 1.00 0.00 O ATOM 304 CB THR A 21 -58.618 -28.045 81.259 1.00 0.00 C ATOM 305 OG1 THR A 21 -58.991 -26.781 81.787 1.00 0.00 O ATOM 306 CG2 THR A 21 -57.104 -27.953 81.105 1.00 0.00 C ATOM 0 H THR A 21 -61.235 -28.313 80.834 1.00 0.00 H new ATOM 0 HA THR A 21 -58.834 -27.429 79.232 1.00 0.00 H new ATOM 0 HB THR A 21 -58.882 -28.916 81.859 1.00 0.00 H new ATOM 0 HG1 THR A 21 -58.574 -26.657 82.665 1.00 0.00 H new ATOM 0 HG21 THR A 21 -56.641 -27.893 82.090 1.00 0.00 H new ATOM 0 HG22 THR A 21 -56.737 -28.838 80.585 1.00 0.00 H new ATOM 0 HG23 THR A 21 -56.850 -27.062 80.530 1.00 0.00 H new ATOM 314 N CYS A 22 -58.087 -29.915 78.930 1.00 0.00 N ATOM 315 CA CYS A 22 -57.824 -31.282 78.392 1.00 0.00 C ATOM 316 C CYS A 22 -56.742 -31.872 79.285 1.00 0.00 C ATOM 317 O CYS A 22 -55.722 -31.250 79.489 1.00 0.00 O ATOM 318 CB CYS A 22 -57.302 -31.175 76.956 1.00 0.00 C ATOM 319 SG CYS A 22 -58.227 -30.153 75.788 1.00 0.00 S ATOM 0 H CYS A 22 -57.284 -29.288 78.881 1.00 0.00 H new ATOM 0 HA CYS A 22 -58.724 -31.897 78.382 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -56.282 -30.792 77.000 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -57.246 -32.183 76.545 1.00 0.00 H new ATOM 0 HG CYS A 22 -57.422 -29.705 74.871 1.00 0.00 H new ATOM 325 N VAL A 23 -56.965 -33.047 79.798 1.00 0.00 N ATOM 326 CA VAL A 23 -55.944 -33.695 80.680 1.00 0.00 C ATOM 327 C VAL A 23 -55.435 -34.804 79.773 1.00 0.00 C ATOM 328 O VAL A 23 -56.159 -35.741 79.487 1.00 0.00 O ATOM 329 CB VAL A 23 -56.607 -34.291 81.910 1.00 0.00 C ATOM 330 CG1 VAL A 23 -55.498 -34.794 82.819 1.00 0.00 C ATOM 331 CG2 VAL A 23 -57.367 -33.178 82.632 1.00 0.00 C ATOM 0 H VAL A 23 -57.813 -33.593 79.647 1.00 0.00 H new ATOM 0 HA VAL A 23 -55.174 -33.018 81.050 1.00 0.00 H new ATOM 0 HB VAL A 23 -57.291 -35.097 81.644 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -55.934 -35.231 83.717 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -54.913 -35.550 82.295 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -54.851 -33.962 83.098 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -57.851 -33.585 83.520 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -56.670 -32.393 82.926 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -58.122 -32.761 81.965 1.00 0.00 H new ATOM 341 N VAL A 24 -54.200 -34.654 79.359 1.00 0.00 N ATOM 342 CA VAL A 24 -53.527 -35.631 78.441 1.00 0.00 C ATOM 343 C VAL A 24 -52.190 -36.171 78.970 1.00 0.00 C ATOM 344 O VAL A 24 -51.519 -35.545 79.766 1.00 0.00 O ATOM 345 CB VAL A 24 -53.297 -34.911 77.067 1.00 0.00 C ATOM 346 CG1 VAL A 24 -54.608 -34.246 76.632 1.00 0.00 C ATOM 347 CG2 VAL A 24 -52.255 -33.734 77.104 1.00 0.00 C ATOM 0 H VAL A 24 -53.610 -33.867 79.629 1.00 0.00 H new ATOM 0 HA VAL A 24 -54.178 -36.500 78.349 1.00 0.00 H new ATOM 0 HB VAL A 24 -52.930 -35.692 76.401 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -54.461 -33.742 75.677 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -55.383 -35.005 76.526 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.914 -33.518 77.384 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -52.163 -33.298 76.109 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -52.593 -32.971 77.805 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -51.286 -34.116 77.424 1.00 0.00 H new ATOM 357 N HIS A 25 -51.856 -37.341 78.487 1.00 0.00 N ATOM 358 CA HIS A 25 -50.583 -38.037 78.867 1.00 0.00 C ATOM 359 C HIS A 25 -49.953 -38.428 77.542 1.00 0.00 C ATOM 360 O HIS A 25 -50.444 -39.321 76.878 1.00 0.00 O ATOM 361 CB HIS A 25 -50.837 -39.316 79.655 1.00 0.00 C ATOM 362 CG HIS A 25 -49.487 -39.973 79.951 1.00 0.00 C ATOM 363 ND1 HIS A 25 -48.637 -40.362 79.058 1.00 0.00 N ATOM 364 CD2 HIS A 25 -48.886 -40.290 81.156 1.00 0.00 C ATOM 365 CE1 HIS A 25 -47.600 -40.875 79.639 1.00 0.00 C ATOM 366 NE2 HIS A 25 -47.712 -40.851 80.944 1.00 0.00 N ATOM 0 H HIS A 25 -52.430 -37.861 77.823 1.00 0.00 H new ATOM 0 HA HIS A 25 -49.968 -37.389 79.491 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -51.362 -39.092 80.584 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -51.472 -39.994 79.085 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -49.316 -40.105 82.129 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -46.746 -41.274 79.112 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -47.044 -41.189 81.637 1.00 0.00 H new ATOM 374 N TYR A 26 -48.890 -37.764 77.159 1.00 0.00 N ATOM 375 CA TYR A 26 -48.217 -38.097 75.857 1.00 0.00 C ATOM 376 C TYR A 26 -46.705 -38.291 75.958 1.00 0.00 C ATOM 377 O TYR A 26 -46.082 -38.104 76.985 1.00 0.00 O ATOM 378 CB TYR A 26 -48.466 -36.981 74.865 1.00 0.00 C ATOM 379 CG TYR A 26 -47.778 -35.712 75.366 1.00 0.00 C ATOM 380 CD1 TYR A 26 -48.405 -34.939 76.305 1.00 0.00 C ATOM 381 CD2 TYR A 26 -46.534 -35.335 74.898 1.00 0.00 C ATOM 382 CE1 TYR A 26 -47.804 -33.801 76.773 1.00 0.00 C ATOM 383 CE2 TYR A 26 -45.929 -34.188 75.370 1.00 0.00 C ATOM 384 CZ TYR A 26 -46.563 -33.410 76.315 1.00 0.00 C ATOM 385 OH TYR A 26 -45.967 -32.262 76.794 1.00 0.00 O ATOM 0 H TYR A 26 -48.457 -37.007 77.688 1.00 0.00 H new ATOM 0 HA TYR A 26 -48.648 -39.047 75.541 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -48.081 -37.256 73.883 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -49.536 -36.810 74.751 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -49.377 -35.227 76.678 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -46.032 -35.941 74.159 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -48.310 -33.199 77.513 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -44.957 -33.899 74.998 1.00 0.00 H new ATOM 0 HH TYR A 26 -45.096 -32.141 76.362 1.00 0.00 H new ATOM 395 N THR A 27 -46.190 -38.673 74.824 1.00 0.00 N ATOM 396 CA THR A 27 -44.739 -38.916 74.649 1.00 0.00 C ATOM 397 C THR A 27 -44.466 -38.287 73.281 1.00 0.00 C ATOM 398 O THR A 27 -45.078 -38.677 72.305 1.00 0.00 O ATOM 399 CB THR A 27 -44.482 -40.404 74.623 1.00 0.00 C ATOM 400 OG1 THR A 27 -44.955 -40.862 75.881 1.00 0.00 O ATOM 401 CG2 THR A 27 -42.979 -40.677 74.656 1.00 0.00 C ATOM 0 H THR A 27 -46.741 -38.832 73.981 1.00 0.00 H new ATOM 0 HA THR A 27 -44.110 -38.507 75.440 1.00 0.00 H new ATOM 0 HB THR A 27 -44.938 -40.863 73.746 1.00 0.00 H new ATOM 0 HG1 THR A 27 -44.825 -41.831 75.946 1.00 0.00 H new ATOM 0 HG21 THR A 27 -42.804 -41.753 74.637 1.00 0.00 H new ATOM 0 HG22 THR A 27 -42.507 -40.217 73.788 1.00 0.00 H new ATOM 0 HG23 THR A 27 -42.553 -40.256 75.567 1.00 0.00 H new ATOM 409 N GLY A 28 -43.574 -37.333 73.211 1.00 0.00 N ATOM 410 CA GLY A 28 -43.270 -36.680 71.892 1.00 0.00 C ATOM 411 C GLY A 28 -41.868 -37.048 71.428 1.00 0.00 C ATOM 412 O GLY A 28 -40.928 -37.078 72.196 1.00 0.00 O ATOM 0 H GLY A 28 -43.042 -36.975 74.004 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -44.001 -36.994 71.147 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -43.356 -35.598 71.987 1.00 0.00 H new ATOM 416 N MET A 29 -41.777 -37.321 70.154 1.00 0.00 N ATOM 417 CA MET A 29 -40.480 -37.703 69.532 1.00 0.00 C ATOM 418 C MET A 29 -40.470 -37.005 68.171 1.00 0.00 C ATOM 419 O MET A 29 -41.412 -36.315 67.836 1.00 0.00 O ATOM 420 CB MET A 29 -40.448 -39.240 69.401 1.00 0.00 C ATOM 421 CG MET A 29 -38.996 -39.741 69.406 1.00 0.00 C ATOM 422 SD MET A 29 -38.046 -39.468 70.922 1.00 0.00 S ATOM 423 CE MET A 29 -38.527 -40.994 71.768 1.00 0.00 C ATOM 0 H MET A 29 -42.565 -37.294 69.507 1.00 0.00 H new ATOM 0 HA MET A 29 -39.604 -37.409 70.110 1.00 0.00 H new ATOM 0 HB2 MET A 29 -41.000 -39.694 70.224 1.00 0.00 H new ATOM 0 HB3 MET A 29 -40.943 -39.544 68.479 1.00 0.00 H new ATOM 0 HG2 MET A 29 -39.005 -40.811 69.198 1.00 0.00 H new ATOM 0 HG3 MET A 29 -38.468 -39.261 68.582 1.00 0.00 H new ATOM 0 HE1 MET A 29 -38.046 -41.036 72.745 1.00 0.00 H new ATOM 0 HE2 MET A 29 -39.609 -41.014 71.895 1.00 0.00 H new ATOM 0 HE3 MET A 29 -38.216 -41.853 71.174 1.00 0.00 H new ATOM 694 N PHE A 46 -49.913 -33.526 81.590 1.00 0.00 N ATOM 695 CA PHE A 46 -50.030 -32.162 80.997 1.00 0.00 C ATOM 696 C PHE A 46 -51.502 -31.726 80.910 1.00 0.00 C ATOM 697 O PHE A 46 -52.361 -32.508 80.552 1.00 0.00 O ATOM 698 CB PHE A 46 -49.404 -32.252 79.658 1.00 0.00 C ATOM 699 CG PHE A 46 -49.301 -30.886 79.007 1.00 0.00 C ATOM 700 CD1 PHE A 46 -48.358 -30.003 79.473 1.00 0.00 C ATOM 701 CD2 PHE A 46 -50.132 -30.523 77.980 1.00 0.00 C ATOM 702 CE1 PHE A 46 -48.239 -28.748 78.916 1.00 0.00 C ATOM 703 CE2 PHE A 46 -50.020 -29.270 77.418 1.00 0.00 C ATOM 704 CZ PHE A 46 -49.075 -28.380 77.884 1.00 0.00 C ATOM 0 HA PHE A 46 -49.534 -31.410 81.610 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -48.410 -32.691 79.747 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -49.990 -32.917 79.024 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -47.705 -30.294 80.282 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -50.873 -31.217 77.612 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -47.495 -28.057 79.286 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -50.675 -28.983 76.609 1.00 0.00 H new ATOM 0 HZ PHE A 46 -48.990 -27.398 77.442 1.00 0.00 H new ATOM 714 N LYS A 47 -51.765 -30.483 81.240 1.00 0.00 N ATOM 715 CA LYS A 47 -53.170 -29.934 81.200 1.00 0.00 C ATOM 716 C LYS A 47 -53.287 -28.598 80.448 1.00 0.00 C ATOM 717 O LYS A 47 -52.690 -27.623 80.859 1.00 0.00 O ATOM 718 CB LYS A 47 -53.664 -29.706 82.617 1.00 0.00 C ATOM 719 CG LYS A 47 -53.693 -31.027 83.377 1.00 0.00 C ATOM 720 CD LYS A 47 -54.155 -30.737 84.808 1.00 0.00 C ATOM 721 CE LYS A 47 -54.197 -32.047 85.596 1.00 0.00 C ATOM 722 NZ LYS A 47 -54.625 -31.777 86.998 1.00 0.00 N ATOM 0 H LYS A 47 -51.058 -29.812 81.541 1.00 0.00 H new ATOM 0 HA LYS A 47 -53.768 -30.674 80.668 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -53.013 -28.997 83.128 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -54.661 -29.266 82.597 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -54.370 -31.731 82.893 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -52.705 -31.487 83.381 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -53.475 -30.032 85.287 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -55.141 -30.273 84.798 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -54.888 -32.745 85.123 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -53.214 -32.518 85.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -54.652 -32.670 87.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -53.950 -31.126 87.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -55.572 -31.346 86.995 1.00 0.00 H new ATOM 736 N PHE A 48 -54.036 -28.544 79.369 1.00 0.00 N ATOM 737 CA PHE A 48 -54.173 -27.242 78.617 1.00 0.00 C ATOM 738 C PHE A 48 -55.619 -26.960 78.202 1.00 0.00 C ATOM 739 O PHE A 48 -56.482 -27.803 78.323 1.00 0.00 O ATOM 740 CB PHE A 48 -53.277 -27.279 77.366 1.00 0.00 C ATOM 741 CG PHE A 48 -53.833 -28.193 76.257 1.00 0.00 C ATOM 742 CD1 PHE A 48 -53.807 -29.576 76.362 1.00 0.00 C ATOM 743 CD2 PHE A 48 -54.368 -27.620 75.114 1.00 0.00 C ATOM 744 CE1 PHE A 48 -54.308 -30.358 75.336 1.00 0.00 C ATOM 745 CE2 PHE A 48 -54.866 -28.405 74.096 1.00 0.00 C ATOM 746 CZ PHE A 48 -54.835 -29.774 74.208 1.00 0.00 C ATOM 0 H PHE A 48 -54.554 -29.331 78.977 1.00 0.00 H new ATOM 0 HA PHE A 48 -53.862 -26.440 79.286 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -53.166 -26.268 76.975 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -52.282 -27.623 77.648 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -53.396 -30.043 77.245 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -54.395 -26.544 75.020 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -54.285 -31.434 75.422 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -55.280 -27.944 73.211 1.00 0.00 H new ATOM 0 HZ PHE A 48 -55.224 -30.391 73.411 1.00 0.00 H new ATOM 756 N MET A 49 -55.856 -25.767 77.712 1.00 0.00 N ATOM 757 CA MET A 49 -57.237 -25.367 77.274 1.00 0.00 C ATOM 758 C MET A 49 -57.340 -25.014 75.790 1.00 0.00 C ATOM 759 O MET A 49 -56.377 -24.625 75.158 1.00 0.00 O ATOM 760 CB MET A 49 -57.646 -24.200 78.115 1.00 0.00 C ATOM 761 CG MET A 49 -59.020 -23.642 77.706 1.00 0.00 C ATOM 762 SD MET A 49 -59.739 -22.376 78.781 1.00 0.00 S ATOM 763 CE MET A 49 -60.597 -23.499 79.912 1.00 0.00 C ATOM 0 H MET A 49 -55.146 -25.044 77.594 1.00 0.00 H new ATOM 0 HA MET A 49 -57.900 -26.222 77.408 1.00 0.00 H new ATOM 0 HB2 MET A 49 -57.675 -24.501 79.162 1.00 0.00 H new ATOM 0 HB3 MET A 49 -56.896 -23.413 78.031 1.00 0.00 H new ATOM 0 HG2 MET A 49 -58.933 -23.226 76.702 1.00 0.00 H new ATOM 0 HG3 MET A 49 -59.721 -24.475 77.646 1.00 0.00 H new ATOM 0 HE1 MET A 49 -61.246 -22.924 80.573 1.00 0.00 H new ATOM 0 HE2 MET A 49 -61.198 -24.205 79.338 1.00 0.00 H new ATOM 0 HE3 MET A 49 -59.865 -24.045 80.507 1.00 0.00 H new ATOM 773 N LEU A 50 -58.537 -25.167 75.278 1.00 0.00 N ATOM 774 CA LEU A 50 -58.857 -24.880 73.857 1.00 0.00 C ATOM 775 C LEU A 50 -59.323 -23.433 73.657 1.00 0.00 C ATOM 776 O LEU A 50 -60.301 -23.006 74.239 1.00 0.00 O ATOM 777 CB LEU A 50 -59.945 -25.857 73.451 1.00 0.00 C ATOM 778 CG LEU A 50 -60.513 -25.565 72.058 1.00 0.00 C ATOM 779 CD1 LEU A 50 -59.417 -25.579 71.011 1.00 0.00 C ATOM 780 CD2 LEU A 50 -61.519 -26.655 71.711 1.00 0.00 C ATOM 0 H LEU A 50 -59.337 -25.495 75.819 1.00 0.00 H new ATOM 0 HA LEU A 50 -57.967 -24.998 73.239 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -59.543 -26.870 73.470 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -60.752 -25.820 74.183 1.00 0.00 H new ATOM 0 HG LEU A 50 -60.979 -24.580 72.068 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -59.847 -25.369 70.032 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -58.674 -24.819 71.252 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -58.941 -26.559 70.996 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -61.935 -26.465 70.722 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -61.021 -27.624 71.715 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -62.322 -26.657 72.448 1.00 0.00 H new ATOM 792 N GLY A 51 -58.611 -22.710 72.836 1.00 0.00 N ATOM 793 CA GLY A 51 -58.969 -21.282 72.554 1.00 0.00 C ATOM 794 C GLY A 51 -58.133 -20.305 73.385 1.00 0.00 C ATOM 795 O GLY A 51 -58.616 -19.263 73.779 1.00 0.00 O ATOM 0 H GLY A 51 -57.786 -23.048 72.341 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -58.822 -21.074 71.494 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -60.027 -21.125 72.766 1.00 0.00 H new ATOM 799 N LYS A 52 -56.898 -20.650 73.638 1.00 0.00 N ATOM 800 CA LYS A 52 -55.997 -19.761 74.443 1.00 0.00 C ATOM 801 C LYS A 52 -54.675 -19.573 73.695 1.00 0.00 C ATOM 802 O LYS A 52 -54.235 -18.458 73.508 1.00 0.00 O ATOM 803 CB LYS A 52 -55.763 -20.420 75.802 1.00 0.00 C ATOM 804 CG LYS A 52 -54.948 -19.451 76.679 1.00 0.00 C ATOM 805 CD LYS A 52 -54.654 -20.050 78.073 1.00 0.00 C ATOM 806 CE LYS A 52 -55.933 -20.189 78.919 1.00 0.00 C ATOM 807 NZ LYS A 52 -56.649 -18.883 78.987 1.00 0.00 N ATOM 0 H LYS A 52 -56.467 -21.518 73.320 1.00 0.00 H new ATOM 0 HA LYS A 52 -56.450 -18.781 74.591 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -56.715 -20.654 76.279 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -55.228 -21.362 75.680 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -54.009 -19.212 76.180 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -55.496 -18.516 76.793 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -54.187 -21.028 77.957 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -53.939 -19.416 78.597 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -56.585 -20.947 78.485 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -55.678 -20.525 79.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -57.295 -18.883 79.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -55.958 -18.113 79.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -57.194 -18.740 78.113 1.00 0.00 H new ATOM 821 N GLN A 53 -54.115 -20.694 73.309 1.00 0.00 N ATOM 822 CA GLN A 53 -52.816 -20.785 72.560 1.00 0.00 C ATOM 823 C GLN A 53 -51.695 -21.158 73.524 1.00 0.00 C ATOM 824 O GLN A 53 -50.803 -20.379 73.800 1.00 0.00 O ATOM 825 CB GLN A 53 -52.438 -19.446 71.892 1.00 0.00 C ATOM 826 CG GLN A 53 -51.279 -19.710 70.929 1.00 0.00 C ATOM 827 CD GLN A 53 -50.890 -18.396 70.248 1.00 0.00 C ATOM 828 OE1 GLN A 53 -51.687 -17.773 69.574 1.00 0.00 O ATOM 829 NE2 GLN A 53 -49.677 -17.943 70.398 1.00 0.00 N ATOM 0 H GLN A 53 -54.532 -21.606 73.495 1.00 0.00 H new ATOM 0 HA GLN A 53 -52.944 -21.542 71.787 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -53.292 -19.033 71.356 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -52.149 -18.713 72.645 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -50.426 -20.121 71.469 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -51.570 -20.449 70.183 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -49.005 -18.462 70.963 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -49.400 -17.069 69.951 1.00 0.00 H new ATOM 838 N GLU A 54 -51.781 -22.367 74.010 1.00 0.00 N ATOM 839 CA GLU A 54 -50.773 -22.916 74.972 1.00 0.00 C ATOM 840 C GLU A 54 -49.980 -23.991 74.235 1.00 0.00 C ATOM 841 O GLU A 54 -48.794 -24.153 74.445 1.00 0.00 O ATOM 842 CB GLU A 54 -51.486 -23.545 76.170 1.00 0.00 C ATOM 843 CG GLU A 54 -52.307 -22.484 76.904 1.00 0.00 C ATOM 844 CD GLU A 54 -51.375 -21.491 77.606 1.00 0.00 C ATOM 845 OE1 GLU A 54 -50.185 -21.765 77.613 1.00 0.00 O ATOM 846 OE2 GLU A 54 -51.911 -20.513 78.101 1.00 0.00 O ATOM 0 H GLU A 54 -52.530 -23.018 73.774 1.00 0.00 H new ATOM 0 HA GLU A 54 -50.118 -22.124 75.334 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -52.137 -24.352 75.834 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -50.756 -23.986 76.849 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -52.948 -21.956 76.198 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -52.961 -22.960 77.635 1.00 0.00 H new ATOM 853 N VAL A 55 -50.666 -24.709 73.381 1.00 0.00 N ATOM 854 CA VAL A 55 -50.013 -25.805 72.587 1.00 0.00 C ATOM 855 C VAL A 55 -50.061 -25.496 71.092 1.00 0.00 C ATOM 856 O VAL A 55 -50.870 -24.714 70.634 1.00 0.00 O ATOM 857 CB VAL A 55 -50.752 -27.123 72.844 1.00 0.00 C ATOM 858 CG1 VAL A 55 -50.752 -27.440 74.327 1.00 0.00 C ATOM 859 CG2 VAL A 55 -52.218 -27.026 72.394 1.00 0.00 C ATOM 0 H VAL A 55 -51.661 -24.584 73.196 1.00 0.00 H new ATOM 0 HA VAL A 55 -48.971 -25.884 72.898 1.00 0.00 H new ATOM 0 HB VAL A 55 -50.238 -27.901 72.280 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -51.280 -28.378 74.498 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -49.725 -27.532 74.679 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -51.252 -26.638 74.870 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -52.721 -27.974 72.587 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -52.717 -26.231 72.948 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -52.257 -26.805 71.327 1.00 0.00 H new ATOM 869 N ILE A 56 -49.181 -26.131 70.369 1.00 0.00 N ATOM 870 CA ILE A 56 -49.140 -25.914 68.897 1.00 0.00 C ATOM 871 C ILE A 56 -50.526 -26.243 68.356 1.00 0.00 C ATOM 872 O ILE A 56 -51.406 -26.608 69.111 1.00 0.00 O ATOM 873 CB ILE A 56 -48.063 -26.831 68.288 1.00 0.00 C ATOM 874 CG1 ILE A 56 -48.326 -28.268 68.819 1.00 0.00 C ATOM 875 CG2 ILE A 56 -46.679 -26.279 68.713 1.00 0.00 C ATOM 876 CD1 ILE A 56 -47.292 -29.255 68.298 1.00 0.00 C ATOM 0 H ILE A 56 -48.491 -26.788 70.733 1.00 0.00 H new ATOM 0 HA ILE A 56 -48.885 -24.886 68.641 1.00 0.00 H new ATOM 0 HB ILE A 56 -48.090 -26.860 67.199 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -48.308 -28.263 69.909 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -49.323 -28.591 68.518 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -45.893 -26.908 68.296 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -46.564 -25.261 68.342 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -46.606 -26.279 69.801 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -47.508 -30.249 68.690 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -47.328 -29.279 67.209 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -46.298 -28.945 68.621 1.00 0.00 H new ATOM 888 N ARG A 57 -50.717 -26.119 67.071 1.00 0.00 N ATOM 889 CA ARG A 57 -52.042 -26.421 66.491 1.00 0.00 C ATOM 890 C ARG A 57 -52.260 -27.924 66.453 1.00 0.00 C ATOM 891 O ARG A 57 -53.190 -28.402 67.072 1.00 0.00 O ATOM 892 CB ARG A 57 -52.102 -25.832 65.081 1.00 0.00 C ATOM 893 CG ARG A 57 -53.544 -25.921 64.578 1.00 0.00 C ATOM 894 CD ARG A 57 -53.633 -25.197 63.232 1.00 0.00 C ATOM 895 NE ARG A 57 -55.072 -25.189 62.808 1.00 0.00 N ATOM 896 CZ ARG A 57 -55.453 -25.707 61.668 1.00 0.00 C ATOM 897 NH1 ARG A 57 -55.166 -25.074 60.563 1.00 0.00 N ATOM 898 NH2 ARG A 57 -56.106 -26.837 61.675 1.00 0.00 N ATOM 0 H ARG A 57 -50.007 -25.821 66.402 1.00 0.00 H new ATOM 0 HA ARG A 57 -52.829 -25.980 67.102 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -51.767 -24.795 65.089 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -51.434 -26.377 64.414 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -53.844 -26.963 64.468 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -54.225 -25.468 65.298 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -53.256 -24.178 63.321 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -53.018 -25.701 62.486 1.00 0.00 H new ATOM 0 HE ARG A 57 -55.770 -24.770 63.423 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -54.654 -24.193 60.598 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -55.454 -25.461 59.664 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -56.312 -27.302 62.559 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -56.411 -27.255 60.796 1.00 0.00 H new ATOM 912 N GLY A 58 -51.408 -28.609 65.727 1.00 0.00 N ATOM 913 CA GLY A 58 -51.476 -30.102 65.590 1.00 0.00 C ATOM 914 C GLY A 58 -52.154 -30.765 66.779 1.00 0.00 C ATOM 915 O GLY A 58 -52.911 -31.705 66.649 1.00 0.00 O ATOM 0 H GLY A 58 -50.643 -28.181 65.206 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -52.018 -30.356 64.679 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -50.467 -30.500 65.482 1.00 0.00 H new ATOM 919 N TRP A 59 -51.839 -30.223 67.924 1.00 0.00 N ATOM 920 CA TRP A 59 -52.426 -30.756 69.179 1.00 0.00 C ATOM 921 C TRP A 59 -53.875 -30.294 69.164 1.00 0.00 C ATOM 922 O TRP A 59 -54.784 -31.066 68.939 1.00 0.00 O ATOM 923 CB TRP A 59 -51.696 -30.146 70.399 1.00 0.00 C ATOM 924 CG TRP A 59 -50.765 -31.133 71.093 1.00 0.00 C ATOM 925 CD1 TRP A 59 -49.822 -31.844 70.450 1.00 0.00 C ATOM 926 CD2 TRP A 59 -50.700 -31.400 72.414 1.00 0.00 C ATOM 927 NE1 TRP A 59 -49.221 -32.505 71.418 1.00 0.00 N ATOM 928 CE2 TRP A 59 -49.677 -32.306 72.647 1.00 0.00 C ATOM 929 CE3 TRP A 59 -51.454 -30.941 73.482 1.00 0.00 C ATOM 930 CZ2 TRP A 59 -49.425 -32.726 73.942 1.00 0.00 C ATOM 931 CZ3 TRP A 59 -51.187 -31.370 74.740 1.00 0.00 C ATOM 932 CH2 TRP A 59 -50.176 -32.258 74.969 1.00 0.00 C ATOM 0 H TRP A 59 -51.201 -29.436 68.041 1.00 0.00 H new ATOM 0 HA TRP A 59 -52.338 -31.840 69.247 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -51.120 -29.279 70.074 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -52.435 -29.788 71.115 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -49.608 -31.868 69.392 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -48.444 -33.138 71.231 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -52.257 -30.239 73.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -48.628 -33.429 74.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -51.779 -31.006 75.567 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -49.973 -32.590 75.976 1.00 0.00 H new ATOM 943 N GLU A 60 -54.006 -29.010 69.415 1.00 0.00 N ATOM 944 CA GLU A 60 -55.325 -28.304 69.459 1.00 0.00 C ATOM 945 C GLU A 60 -56.348 -29.018 68.583 1.00 0.00 C ATOM 946 O GLU A 60 -57.409 -29.415 69.016 1.00 0.00 O ATOM 947 CB GLU A 60 -55.052 -26.874 69.005 1.00 0.00 C ATOM 948 CG GLU A 60 -56.285 -25.989 69.198 1.00 0.00 C ATOM 949 CD GLU A 60 -57.308 -26.226 68.079 1.00 0.00 C ATOM 950 OE1 GLU A 60 -56.955 -26.922 67.142 1.00 0.00 O ATOM 951 OE2 GLU A 60 -58.391 -25.686 68.226 1.00 0.00 O ATOM 0 H GLU A 60 -53.211 -28.398 69.599 1.00 0.00 H new ATOM 0 HA GLU A 60 -55.757 -28.301 70.460 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -54.214 -26.464 69.569 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -54.760 -26.872 67.955 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -56.742 -26.200 70.165 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -55.987 -24.940 69.208 1.00 0.00 H new ATOM 958 N GLU A 61 -55.950 -29.159 67.349 1.00 0.00 N ATOM 959 CA GLU A 61 -56.792 -29.830 66.347 1.00 0.00 C ATOM 960 C GLU A 61 -56.731 -31.325 66.669 1.00 0.00 C ATOM 961 O GLU A 61 -57.745 -31.969 66.853 1.00 0.00 O ATOM 962 CB GLU A 61 -56.226 -29.554 64.948 1.00 0.00 C ATOM 963 CG GLU A 61 -57.113 -30.214 63.882 1.00 0.00 C ATOM 964 CD GLU A 61 -58.470 -29.503 63.812 1.00 0.00 C ATOM 965 OE1 GLU A 61 -58.590 -28.484 64.472 1.00 0.00 O ATOM 966 OE2 GLU A 61 -59.308 -30.024 63.096 1.00 0.00 O ATOM 0 H GLU A 61 -55.053 -28.826 66.995 1.00 0.00 H new ATOM 0 HA GLU A 61 -57.822 -29.473 66.368 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -56.173 -28.479 64.774 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -55.209 -29.939 64.876 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -56.621 -30.171 62.911 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -57.258 -31.268 64.120 1.00 0.00 H new ATOM 973 N GLY A 62 -55.533 -31.845 66.730 1.00 0.00 N ATOM 974 CA GLY A 62 -55.375 -33.286 67.036 1.00 0.00 C ATOM 975 C GLY A 62 -56.138 -33.662 68.304 1.00 0.00 C ATOM 976 O GLY A 62 -57.185 -34.271 68.249 1.00 0.00 O ATOM 0 H GLY A 62 -54.664 -31.332 66.581 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -55.738 -33.881 66.198 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -54.318 -33.522 67.160 1.00 0.00 H new ATOM 980 N VAL A 63 -55.594 -33.293 69.432 1.00 0.00 N ATOM 981 CA VAL A 63 -56.266 -33.612 70.721 1.00 0.00 C ATOM 982 C VAL A 63 -57.782 -33.412 70.645 1.00 0.00 C ATOM 983 O VAL A 63 -58.531 -34.274 71.052 1.00 0.00 O ATOM 984 CB VAL A 63 -55.683 -32.726 71.816 1.00 0.00 C ATOM 985 CG1 VAL A 63 -56.293 -33.198 73.146 1.00 0.00 C ATOM 986 CG2 VAL A 63 -54.135 -32.853 71.850 1.00 0.00 C ATOM 0 H VAL A 63 -54.714 -32.785 69.515 1.00 0.00 H new ATOM 0 HA VAL A 63 -56.089 -34.664 70.945 1.00 0.00 H new ATOM 0 HB VAL A 63 -55.918 -31.677 71.634 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -55.902 -32.589 73.962 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -57.378 -33.097 73.105 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -56.032 -34.243 73.316 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -53.735 -32.214 72.637 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -53.859 -33.889 72.048 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -53.723 -32.545 70.889 1.00 0.00 H new ATOM 996 N ALA A 64 -58.228 -32.289 70.149 1.00 0.00 N ATOM 997 CA ALA A 64 -59.707 -32.084 70.061 1.00 0.00 C ATOM 998 C ALA A 64 -60.393 -33.311 69.467 1.00 0.00 C ATOM 999 O ALA A 64 -61.253 -33.952 70.038 1.00 0.00 O ATOM 1000 CB ALA A 64 -60.014 -30.901 69.161 1.00 0.00 C ATOM 0 H ALA A 64 -57.651 -31.520 69.808 1.00 0.00 H new ATOM 0 HA ALA A 64 -60.076 -31.907 71.071 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -61.093 -30.759 69.102 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -59.551 -30.003 69.570 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -59.618 -31.091 68.163 1.00 0.00 H new ATOM 1006 N GLN A 65 -59.917 -33.543 68.284 1.00 0.00 N ATOM 1007 CA GLN A 65 -60.347 -34.644 67.405 1.00 0.00 C ATOM 1008 C GLN A 65 -60.280 -35.969 68.163 1.00 0.00 C ATOM 1009 O GLN A 65 -60.730 -36.985 67.672 1.00 0.00 O ATOM 1010 CB GLN A 65 -59.415 -34.532 66.184 1.00 0.00 C ATOM 1011 CG GLN A 65 -59.928 -35.242 64.938 1.00 0.00 C ATOM 1012 CD GLN A 65 -59.000 -34.845 63.766 1.00 0.00 C ATOM 1013 OE1 GLN A 65 -59.122 -35.354 62.670 1.00 0.00 O ATOM 1014 NE2 GLN A 65 -58.064 -33.941 63.954 1.00 0.00 N ATOM 0 H GLN A 65 -59.190 -32.963 67.866 1.00 0.00 H new ATOM 0 HA GLN A 65 -61.384 -34.592 67.074 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -59.265 -33.478 65.952 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -58.440 -34.943 66.447 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -59.924 -36.322 65.082 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -60.958 -34.953 64.728 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -57.951 -33.506 64.870 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -57.450 -33.674 63.184 1.00 0.00 H new ATOM 1023 N MET A 66 -59.720 -35.945 69.353 1.00 0.00 N ATOM 1024 CA MET A 66 -59.635 -37.230 70.152 1.00 0.00 C ATOM 1025 C MET A 66 -60.737 -37.204 71.224 1.00 0.00 C ATOM 1026 O MET A 66 -61.173 -36.145 71.629 1.00 0.00 O ATOM 1027 CB MET A 66 -58.278 -37.339 70.854 1.00 0.00 C ATOM 1028 CG MET A 66 -57.160 -37.343 69.816 1.00 0.00 C ATOM 1029 SD MET A 66 -55.468 -37.403 70.457 1.00 0.00 S ATOM 1030 CE MET A 66 -55.518 -39.108 71.062 1.00 0.00 C ATOM 0 H MET A 66 -59.326 -35.119 69.802 1.00 0.00 H new ATOM 0 HA MET A 66 -59.756 -38.079 69.480 1.00 0.00 H new ATOM 0 HB2 MET A 66 -58.146 -36.504 71.542 1.00 0.00 H new ATOM 0 HB3 MET A 66 -58.238 -38.251 71.449 1.00 0.00 H new ATOM 0 HG2 MET A 66 -57.307 -38.200 69.159 1.00 0.00 H new ATOM 0 HG3 MET A 66 -57.261 -36.449 69.201 1.00 0.00 H new ATOM 0 HE1 MET A 66 -54.503 -39.502 71.125 1.00 0.00 H new ATOM 0 HE2 MET A 66 -55.978 -39.130 72.050 1.00 0.00 H new ATOM 0 HE3 MET A 66 -56.103 -39.721 70.376 1.00 0.00 H new ATOM 1040 N SER A 67 -61.167 -38.360 71.678 1.00 0.00 N ATOM 1041 CA SER A 67 -62.253 -38.426 72.726 1.00 0.00 C ATOM 1042 C SER A 67 -61.775 -39.011 74.051 1.00 0.00 C ATOM 1043 O SER A 67 -60.882 -39.832 74.120 1.00 0.00 O ATOM 1044 CB SER A 67 -63.397 -39.300 72.228 1.00 0.00 C ATOM 1045 OG SER A 67 -62.789 -40.573 72.073 1.00 0.00 O ATOM 0 H SER A 67 -60.815 -39.266 71.370 1.00 0.00 H new ATOM 0 HA SER A 67 -62.570 -37.397 72.897 1.00 0.00 H new ATOM 0 HB2 SER A 67 -64.220 -39.331 72.942 1.00 0.00 H new ATOM 0 HB3 SER A 67 -63.805 -38.931 71.287 1.00 0.00 H new ATOM 0 HG SER A 67 -63.455 -41.217 71.752 1.00 0.00 H new ATOM 1051 N VAL A 68 -62.425 -38.532 75.073 1.00 0.00 N ATOM 1052 CA VAL A 68 -62.122 -38.964 76.457 1.00 0.00 C ATOM 1053 C VAL A 68 -61.932 -40.471 76.589 1.00 0.00 C ATOM 1054 O VAL A 68 -62.891 -41.205 76.722 1.00 0.00 O ATOM 1055 CB VAL A 68 -63.268 -38.486 77.354 1.00 0.00 C ATOM 1056 CG1 VAL A 68 -63.075 -38.934 78.802 1.00 0.00 C ATOM 1057 CG2 VAL A 68 -63.313 -36.959 77.320 1.00 0.00 C ATOM 0 H VAL A 68 -63.172 -37.841 75.001 1.00 0.00 H new ATOM 0 HA VAL A 68 -61.172 -38.523 76.758 1.00 0.00 H new ATOM 0 HB VAL A 68 -64.196 -38.919 76.981 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -63.908 -38.576 79.408 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -63.037 -40.023 78.844 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -62.142 -38.523 79.189 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -64.125 -36.605 77.955 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -62.367 -36.559 77.684 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -63.479 -36.623 76.297 1.00 0.00 H new ATOM 1067 N GLY A 69 -60.705 -40.918 76.552 1.00 0.00 N ATOM 1068 CA GLY A 69 -60.428 -42.386 76.676 1.00 0.00 C ATOM 1069 C GLY A 69 -59.871 -42.891 75.355 1.00 0.00 C ATOM 1070 O GLY A 69 -59.768 -44.080 75.129 1.00 0.00 O ATOM 0 H GLY A 69 -59.878 -40.331 76.441 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -59.716 -42.569 77.481 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -61.342 -42.923 76.930 1.00 0.00 H new ATOM 1074 N GLN A 70 -59.521 -41.964 74.501 1.00 0.00 N ATOM 1075 CA GLN A 70 -58.954 -42.345 73.162 1.00 0.00 C ATOM 1076 C GLN A 70 -57.440 -42.138 73.153 1.00 0.00 C ATOM 1077 O GLN A 70 -56.926 -41.212 73.746 1.00 0.00 O ATOM 1078 CB GLN A 70 -59.592 -41.467 72.066 1.00 0.00 C ATOM 1079 CG GLN A 70 -58.905 -41.746 70.712 1.00 0.00 C ATOM 1080 CD GLN A 70 -59.674 -41.053 69.585 1.00 0.00 C ATOM 1081 OE1 GLN A 70 -60.867 -41.221 69.434 1.00 0.00 O ATOM 1082 NE2 GLN A 70 -59.023 -40.267 68.769 1.00 0.00 N ATOM 0 H GLN A 70 -59.601 -40.961 74.668 1.00 0.00 H new ATOM 0 HA GLN A 70 -59.173 -43.395 72.971 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -60.659 -41.677 71.994 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -59.491 -40.413 72.326 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -57.876 -41.387 70.736 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -58.864 -42.820 70.529 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -58.021 -40.122 68.891 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -59.517 -39.798 68.010 1.00 0.00 H new ATOM 1091 N ARG A 71 -56.760 -43.025 72.466 1.00 0.00 N ATOM 1092 CA ARG A 71 -55.265 -42.949 72.360 1.00 0.00 C ATOM 1093 C ARG A 71 -54.903 -42.949 70.894 1.00 0.00 C ATOM 1094 O ARG A 71 -55.487 -43.652 70.090 1.00 0.00 O ATOM 1095 CB ARG A 71 -54.615 -44.150 73.008 1.00 0.00 C ATOM 1096 CG ARG A 71 -53.085 -44.059 72.912 1.00 0.00 C ATOM 1097 CD ARG A 71 -52.499 -45.296 73.597 1.00 0.00 C ATOM 1098 NE ARG A 71 -51.018 -45.301 73.360 1.00 0.00 N ATOM 1099 CZ ARG A 71 -50.165 -45.238 74.351 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -50.057 -46.259 75.157 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -49.453 -44.154 74.501 1.00 0.00 N ATOM 0 H ARG A 71 -57.182 -43.809 71.968 1.00 0.00 H new ATOM 0 HA ARG A 71 -54.917 -42.047 72.863 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -54.915 -44.212 74.054 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -54.961 -45.063 72.523 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -52.770 -44.014 71.870 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -52.725 -43.149 73.393 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -52.714 -45.277 74.666 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -52.952 -46.203 73.197 1.00 0.00 H new ATOM 0 HE ARG A 71 -50.667 -45.355 72.404 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -50.632 -47.088 75.009 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -49.398 -46.227 75.934 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -49.567 -43.375 73.852 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -48.783 -44.086 75.267 1.00 0.00 H new ATOM 1115 N ALA A 72 -53.918 -42.141 70.611 1.00 0.00 N ATOM 1116 CA ALA A 72 -53.430 -42.009 69.196 1.00 0.00 C ATOM 1117 C ALA A 72 -51.952 -41.699 69.026 1.00 0.00 C ATOM 1118 O ALA A 72 -51.201 -41.513 69.960 1.00 0.00 O ATOM 1119 CB ALA A 72 -54.205 -40.902 68.496 1.00 0.00 C ATOM 0 H ALA A 72 -53.426 -41.564 71.294 1.00 0.00 H new ATOM 0 HA ALA A 72 -53.592 -42.996 68.763 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -53.853 -40.804 67.469 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -55.267 -41.147 68.493 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -54.051 -39.961 69.023 1.00 0.00 H new ATOM 1125 N LYS A 73 -51.639 -41.665 67.757 1.00 0.00 N ATOM 1126 CA LYS A 73 -50.279 -41.379 67.220 1.00 0.00 C ATOM 1127 C LYS A 73 -50.571 -40.245 66.232 1.00 0.00 C ATOM 1128 O LYS A 73 -51.131 -40.469 65.179 1.00 0.00 O ATOM 1129 CB LYS A 73 -49.747 -42.642 66.509 1.00 0.00 C ATOM 1130 CG LYS A 73 -48.484 -42.348 65.651 1.00 0.00 C ATOM 1131 CD LYS A 73 -47.220 -42.045 66.488 1.00 0.00 C ATOM 1132 CE LYS A 73 -46.642 -43.340 67.090 1.00 0.00 C ATOM 1133 NZ LYS A 73 -46.379 -44.333 66.011 1.00 0.00 N ATOM 0 H LYS A 73 -52.326 -41.837 67.023 1.00 0.00 H new ATOM 0 HA LYS A 73 -49.525 -41.111 67.960 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -49.509 -43.402 67.253 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -50.529 -43.054 65.871 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -48.286 -43.205 65.007 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -48.689 -41.499 64.998 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -46.470 -41.563 65.861 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -47.466 -41.345 67.287 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -45.719 -43.121 67.626 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -47.341 -43.756 67.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -45.686 -45.033 66.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -47.265 -44.816 65.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -46.002 -43.844 65.174 1.00 0.00 H new ATOM 1147 N LEU A 74 -50.191 -39.045 66.573 1.00 0.00 N ATOM 1148 CA LEU A 74 -50.456 -37.887 65.652 1.00 0.00 C ATOM 1149 C LEU A 74 -49.158 -37.500 64.936 1.00 0.00 C ATOM 1150 O LEU A 74 -48.071 -37.711 65.435 1.00 0.00 O ATOM 1151 CB LEU A 74 -50.965 -36.686 66.480 1.00 0.00 C ATOM 1152 CG LEU A 74 -51.937 -37.141 67.577 1.00 0.00 C ATOM 1153 CD1 LEU A 74 -52.335 -35.920 68.405 1.00 0.00 C ATOM 1154 CD2 LEU A 74 -53.192 -37.729 66.960 1.00 0.00 C ATOM 0 H LEU A 74 -49.711 -38.810 67.442 1.00 0.00 H new ATOM 0 HA LEU A 74 -51.208 -38.168 64.914 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -50.119 -36.168 66.932 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -51.462 -35.972 65.823 1.00 0.00 H new ATOM 0 HG LEU A 74 -51.452 -37.896 68.195 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -53.027 -36.223 69.191 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -51.445 -35.480 68.855 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -52.818 -35.185 67.761 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -53.872 -38.047 67.751 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -53.681 -36.976 66.342 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -52.926 -38.587 66.343 1.00 0.00 H new ATOM 1166 N THR A 75 -49.319 -36.938 63.767 1.00 0.00 N ATOM 1167 CA THR A 75 -48.153 -36.495 62.937 1.00 0.00 C ATOM 1168 C THR A 75 -48.411 -35.020 62.659 1.00 0.00 C ATOM 1169 O THR A 75 -49.398 -34.669 62.042 1.00 0.00 O ATOM 1170 CB THR A 75 -48.121 -37.284 61.632 1.00 0.00 C ATOM 1171 OG1 THR A 75 -48.025 -38.639 62.044 1.00 0.00 O ATOM 1172 CG2 THR A 75 -46.810 -37.026 60.886 1.00 0.00 C ATOM 0 H THR A 75 -50.229 -36.762 63.341 1.00 0.00 H new ATOM 0 HA THR A 75 -47.197 -36.655 63.436 1.00 0.00 H new ATOM 0 HB THR A 75 -48.978 -37.029 61.008 1.00 0.00 H new ATOM 0 HG1 THR A 75 -48.001 -39.220 61.255 1.00 0.00 H new ATOM 0 HG21 THR A 75 -46.802 -37.596 59.957 1.00 0.00 H new ATOM 0 HG22 THR A 75 -46.723 -35.963 60.661 1.00 0.00 H new ATOM 0 HG23 THR A 75 -45.970 -37.335 61.508 1.00 0.00 H new ATOM 1180 N ILE A 76 -47.525 -34.175 63.117 1.00 0.00 N ATOM 1181 CA ILE A 76 -47.681 -32.698 62.908 1.00 0.00 C ATOM 1182 C ILE A 76 -46.600 -32.218 61.958 1.00 0.00 C ATOM 1183 O ILE A 76 -45.472 -32.664 62.023 1.00 0.00 O ATOM 1184 CB ILE A 76 -47.520 -31.980 64.248 1.00 0.00 C ATOM 1185 CG1 ILE A 76 -48.418 -32.700 65.285 1.00 0.00 C ATOM 1186 CG2 ILE A 76 -47.930 -30.510 64.035 1.00 0.00 C ATOM 1187 CD1 ILE A 76 -48.278 -32.121 66.692 1.00 0.00 C ATOM 0 H ILE A 76 -46.688 -34.445 63.634 1.00 0.00 H new ATOM 0 HA ILE A 76 -48.666 -32.486 62.492 1.00 0.00 H new ATOM 0 HB ILE A 76 -46.496 -32.001 64.620 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -49.459 -32.628 64.969 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -48.163 -33.760 65.306 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -47.828 -29.964 64.973 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -47.286 -30.058 63.280 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -48.967 -30.466 63.701 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -48.930 -32.665 67.376 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -47.244 -32.217 67.024 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -48.560 -31.068 66.682 1.00 0.00 H new ATOM 1199 N SER A 77 -46.992 -31.301 61.113 1.00 0.00 N ATOM 1200 CA SER A 77 -46.066 -30.699 60.088 1.00 0.00 C ATOM 1201 C SER A 77 -45.723 -29.250 60.496 1.00 0.00 C ATOM 1202 O SER A 77 -46.481 -28.648 61.230 1.00 0.00 O ATOM 1203 CB SER A 77 -46.811 -30.751 58.744 1.00 0.00 C ATOM 1204 OG SER A 77 -48.038 -30.100 59.039 1.00 0.00 O ATOM 0 H SER A 77 -47.941 -30.929 61.085 1.00 0.00 H new ATOM 0 HA SER A 77 -45.124 -31.242 60.012 1.00 0.00 H new ATOM 0 HB2 SER A 77 -46.260 -30.238 57.956 1.00 0.00 H new ATOM 0 HB3 SER A 77 -46.968 -31.776 58.408 1.00 0.00 H new ATOM 0 HG SER A 77 -47.863 -29.302 59.580 1.00 0.00 H new ATOM 1210 N PRO A 78 -44.616 -28.704 60.040 1.00 0.00 N ATOM 1211 CA PRO A 78 -44.186 -27.340 60.445 1.00 0.00 C ATOM 1212 C PRO A 78 -45.347 -26.357 60.632 1.00 0.00 C ATOM 1213 O PRO A 78 -45.485 -25.737 61.667 1.00 0.00 O ATOM 1214 CB PRO A 78 -43.169 -26.925 59.337 1.00 0.00 C ATOM 1215 CG PRO A 78 -43.322 -28.020 58.250 1.00 0.00 C ATOM 1216 CD PRO A 78 -43.645 -29.274 59.065 1.00 0.00 C ATOM 0 HA PRO A 78 -43.731 -27.328 61.436 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -43.395 -25.935 58.940 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -42.151 -26.888 59.725 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -44.119 -27.781 57.546 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -42.408 -28.141 57.668 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -44.081 -30.066 58.456 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -42.764 -29.694 59.551 1.00 0.00 H new ATOM 1224 N ASP A 79 -46.154 -26.239 59.615 1.00 0.00 N ATOM 1225 CA ASP A 79 -47.312 -25.320 59.667 1.00 0.00 C ATOM 1226 C ASP A 79 -48.100 -25.422 60.973 1.00 0.00 C ATOM 1227 O ASP A 79 -48.510 -24.425 61.534 1.00 0.00 O ATOM 1228 CB ASP A 79 -48.192 -25.643 58.454 1.00 0.00 C ATOM 1229 CG ASP A 79 -48.297 -27.165 58.299 1.00 0.00 C ATOM 1230 OD1 ASP A 79 -48.594 -27.809 59.292 1.00 0.00 O ATOM 1231 OD2 ASP A 79 -48.072 -27.600 57.181 1.00 0.00 O ATOM 0 H ASP A 79 -46.054 -26.751 58.739 1.00 0.00 H new ATOM 0 HA ASP A 79 -46.960 -24.289 59.635 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -49.184 -25.209 58.583 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -47.766 -25.202 57.553 1.00 0.00 H new ATOM 1236 N TYR A 80 -48.298 -26.633 61.432 1.00 0.00 N ATOM 1237 CA TYR A 80 -49.059 -26.882 62.692 1.00 0.00 C ATOM 1238 C TYR A 80 -48.132 -27.190 63.884 1.00 0.00 C ATOM 1239 O TYR A 80 -48.599 -27.718 64.873 1.00 0.00 O ATOM 1240 CB TYR A 80 -49.992 -28.082 62.452 1.00 0.00 C ATOM 1241 CG TYR A 80 -51.251 -27.787 61.601 1.00 0.00 C ATOM 1242 CD1 TYR A 80 -51.235 -26.970 60.483 1.00 0.00 C ATOM 1243 CD2 TYR A 80 -52.451 -28.380 61.958 1.00 0.00 C ATOM 1244 CE1 TYR A 80 -52.386 -26.756 59.751 1.00 0.00 C ATOM 1245 CE2 TYR A 80 -53.598 -28.168 61.226 1.00 0.00 C ATOM 1246 CZ TYR A 80 -53.575 -27.353 60.115 1.00 0.00 C ATOM 1247 OH TYR A 80 -54.720 -27.140 59.377 1.00 0.00 O ATOM 0 H TYR A 80 -47.955 -27.478 60.974 1.00 0.00 H new ATOM 0 HA TYR A 80 -49.619 -25.981 62.943 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -49.421 -28.872 61.963 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -50.311 -28.471 63.419 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -50.313 -26.496 60.181 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -52.488 -29.021 62.827 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -52.355 -26.114 58.883 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -54.521 -28.643 61.524 1.00 0.00 H new ATOM 0 HH TYR A 80 -55.138 -28.001 59.166 1.00 0.00 H new ATOM 1457 N THR A 96 -40.443 -31.977 61.705 1.00 0.00 N ATOM 1458 CA THR A 96 -41.810 -32.562 61.924 1.00 0.00 C ATOM 1459 C THR A 96 -41.929 -33.143 63.348 1.00 0.00 C ATOM 1460 O THR A 96 -40.961 -33.705 63.820 1.00 0.00 O ATOM 1461 CB THR A 96 -41.977 -33.645 60.863 1.00 0.00 C ATOM 1462 OG1 THR A 96 -41.746 -32.945 59.650 1.00 0.00 O ATOM 1463 CG2 THR A 96 -43.416 -34.121 60.700 1.00 0.00 C ATOM 0 HA THR A 96 -42.592 -31.808 61.836 1.00 0.00 H new ATOM 0 HB THR A 96 -41.339 -34.492 61.116 1.00 0.00 H new ATOM 0 HG1 THR A 96 -41.099 -32.225 59.806 1.00 0.00 H new ATOM 0 HG21 THR A 96 -43.460 -34.891 59.929 1.00 0.00 H new ATOM 0 HG22 THR A 96 -43.772 -34.533 61.644 1.00 0.00 H new ATOM 0 HG23 THR A 96 -44.047 -33.281 60.410 1.00 0.00 H new ATOM 1471 N LEU A 97 -43.053 -33.029 64.025 1.00 0.00 N ATOM 1472 CA LEU A 97 -43.164 -33.592 65.397 1.00 0.00 C ATOM 1473 C LEU A 97 -44.062 -34.844 65.301 1.00 0.00 C ATOM 1474 O LEU A 97 -44.848 -34.975 64.384 1.00 0.00 O ATOM 1475 CB LEU A 97 -43.854 -32.580 66.335 1.00 0.00 C ATOM 1476 CG LEU A 97 -43.444 -31.089 66.243 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -44.215 -30.372 67.350 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -41.973 -30.774 66.508 1.00 0.00 C ATOM 0 H LEU A 97 -43.894 -32.568 63.678 1.00 0.00 H new ATOM 0 HA LEU A 97 -42.173 -33.824 65.788 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -44.927 -32.640 66.156 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -43.683 -32.908 67.360 1.00 0.00 H new ATOM 0 HG LEU A 97 -43.651 -30.782 65.218 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -43.967 -29.311 67.337 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -45.286 -30.497 67.187 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -43.943 -30.796 68.316 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -41.808 -29.701 66.415 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -41.708 -31.096 67.515 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -41.352 -31.301 65.783 1.00 0.00 H new ATOM 1490 N VAL A 98 -43.925 -35.732 66.247 1.00 0.00 N ATOM 1491 CA VAL A 98 -44.752 -36.974 66.261 1.00 0.00 C ATOM 1492 C VAL A 98 -45.148 -37.228 67.714 1.00 0.00 C ATOM 1493 O VAL A 98 -44.298 -37.477 68.546 1.00 0.00 O ATOM 1494 CB VAL A 98 -43.940 -38.143 65.747 1.00 0.00 C ATOM 1495 CG1 VAL A 98 -44.840 -39.400 65.751 1.00 0.00 C ATOM 1496 CG2 VAL A 98 -43.506 -37.851 64.310 1.00 0.00 C ATOM 0 H VAL A 98 -43.267 -35.649 67.022 1.00 0.00 H new ATOM 0 HA VAL A 98 -45.630 -36.862 65.625 1.00 0.00 H new ATOM 0 HB VAL A 98 -43.063 -38.301 66.375 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -44.273 -40.255 65.383 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -45.181 -39.600 66.767 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -45.702 -39.232 65.106 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -42.920 -38.688 63.930 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -44.388 -37.712 63.685 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -42.900 -36.945 64.290 1.00 0.00 H new ATOM 1506 N PHE A 99 -46.419 -37.167 68.012 1.00 0.00 N ATOM 1507 CA PHE A 99 -46.870 -37.411 69.422 1.00 0.00 C ATOM 1508 C PHE A 99 -47.631 -38.744 69.514 1.00 0.00 C ATOM 1509 O PHE A 99 -48.129 -39.278 68.543 1.00 0.00 O ATOM 1510 CB PHE A 99 -47.823 -36.304 69.895 1.00 0.00 C ATOM 1511 CG PHE A 99 -47.086 -35.004 70.230 1.00 0.00 C ATOM 1512 CD1 PHE A 99 -46.601 -34.213 69.224 1.00 0.00 C ATOM 1513 CD2 PHE A 99 -46.923 -34.607 71.545 1.00 0.00 C ATOM 1514 CE1 PHE A 99 -45.961 -33.029 69.521 1.00 0.00 C ATOM 1515 CE2 PHE A 99 -46.286 -33.425 71.862 1.00 0.00 C ATOM 1516 CZ PHE A 99 -45.801 -32.629 70.834 1.00 0.00 C ATOM 0 H PHE A 99 -47.164 -36.960 67.347 1.00 0.00 H new ATOM 0 HA PHE A 99 -45.978 -37.429 70.048 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -48.563 -36.109 69.119 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -48.367 -36.648 70.775 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -46.720 -34.517 68.195 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -47.302 -35.234 72.339 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -45.582 -32.409 68.722 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -46.167 -33.124 72.892 1.00 0.00 H new ATOM 0 HZ PHE A 99 -45.300 -31.699 71.060 1.00 0.00 H new ATOM 1526 N ASP A 100 -47.677 -39.222 70.725 1.00 0.00 N ATOM 1527 CA ASP A 100 -48.373 -40.497 71.070 1.00 0.00 C ATOM 1528 C ASP A 100 -49.245 -39.980 72.202 1.00 0.00 C ATOM 1529 O ASP A 100 -48.821 -40.034 73.336 1.00 0.00 O ATOM 1530 CB ASP A 100 -47.378 -41.524 71.586 1.00 0.00 C ATOM 1531 CG ASP A 100 -46.307 -41.746 70.521 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -46.713 -42.133 69.439 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -45.155 -41.516 70.850 1.00 0.00 O ATOM 0 H ASP A 100 -47.242 -38.762 71.525 1.00 0.00 H new ATOM 0 HA ASP A 100 -48.897 -40.994 70.253 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -46.923 -41.176 72.513 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -47.886 -42.462 71.812 1.00 0.00 H new ATOM 1538 N VAL A 101 -50.434 -39.497 71.926 1.00 0.00 N ATOM 1539 CA VAL A 101 -51.294 -38.960 73.049 1.00 0.00 C ATOM 1540 C VAL A 101 -52.431 -39.848 73.525 1.00 0.00 C ATOM 1541 O VAL A 101 -53.014 -40.613 72.782 1.00 0.00 O ATOM 1542 CB VAL A 101 -51.918 -37.625 72.614 1.00 0.00 C ATOM 1543 CG1 VAL A 101 -52.568 -36.890 73.798 1.00 0.00 C ATOM 1544 CG2 VAL A 101 -50.877 -36.758 71.934 1.00 0.00 C ATOM 0 H VAL A 101 -50.846 -39.448 70.994 1.00 0.00 H new ATOM 0 HA VAL A 101 -50.603 -38.877 73.888 1.00 0.00 H new ATOM 0 HB VAL A 101 -52.712 -37.839 71.898 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -52.998 -35.951 73.451 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -53.354 -37.513 74.226 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -51.813 -36.685 74.557 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -51.331 -35.815 71.630 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -50.059 -36.560 72.627 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -50.491 -37.274 71.055 1.00 0.00 H new ATOM 1554 N GLU A 102 -52.695 -39.692 74.797 1.00 0.00 N ATOM 1555 CA GLU A 102 -53.780 -40.447 75.488 1.00 0.00 C ATOM 1556 C GLU A 102 -54.666 -39.418 76.217 1.00 0.00 C ATOM 1557 O GLU A 102 -54.331 -39.006 77.310 1.00 0.00 O ATOM 1558 CB GLU A 102 -53.150 -41.414 76.487 1.00 0.00 C ATOM 1559 CG GLU A 102 -54.251 -42.310 77.048 1.00 0.00 C ATOM 1560 CD GLU A 102 -53.643 -43.258 78.084 1.00 0.00 C ATOM 1561 OE1 GLU A 102 -53.107 -42.735 79.046 1.00 0.00 O ATOM 1562 OE2 GLU A 102 -53.753 -44.451 77.851 1.00 0.00 O ATOM 0 H GLU A 102 -52.185 -39.050 75.404 1.00 0.00 H new ATOM 0 HA GLU A 102 -54.381 -41.021 74.782 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -52.382 -42.016 76.000 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -52.662 -40.864 77.291 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -55.033 -41.704 77.506 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -54.718 -42.880 76.245 1.00 0.00 H new ATOM 1569 N LEU A 103 -55.762 -39.006 75.630 1.00 0.00 N ATOM 1570 CA LEU A 103 -56.618 -38.004 76.350 1.00 0.00 C ATOM 1571 C LEU A 103 -57.217 -38.733 77.550 1.00 0.00 C ATOM 1572 O LEU A 103 -57.899 -39.729 77.392 1.00 0.00 O ATOM 1573 CB LEU A 103 -57.725 -37.488 75.374 1.00 0.00 C ATOM 1574 CG LEU A 103 -58.785 -36.563 76.063 1.00 0.00 C ATOM 1575 CD1 LEU A 103 -58.148 -35.299 76.683 1.00 0.00 C ATOM 1576 CD2 LEU A 103 -59.812 -36.087 75.003 1.00 0.00 C ATOM 0 H LEU A 103 -56.096 -39.306 74.714 1.00 0.00 H new ATOM 0 HA LEU A 103 -56.053 -37.136 76.688 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -57.252 -36.941 74.558 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -58.235 -38.343 74.931 1.00 0.00 H new ATOM 0 HG LEU A 103 -59.253 -37.149 76.854 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -58.924 -34.691 77.148 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -57.417 -35.592 77.436 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -57.653 -34.721 75.903 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -60.552 -35.443 75.477 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -59.296 -35.531 74.220 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -60.311 -36.952 74.566 1.00 0.00 H new ATOM 1588 N LEU A 104 -56.960 -38.220 78.734 1.00 0.00 N ATOM 1589 CA LEU A 104 -57.499 -38.880 79.967 1.00 0.00 C ATOM 1590 C LEU A 104 -58.878 -38.368 80.358 1.00 0.00 C ATOM 1591 O LEU A 104 -59.828 -39.118 80.454 1.00 0.00 O ATOM 1592 CB LEU A 104 -56.547 -38.639 81.174 1.00 0.00 C ATOM 1593 CG LEU A 104 -55.089 -38.616 80.736 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -54.233 -38.527 81.994 1.00 0.00 C ATOM 1595 CD2 LEU A 104 -54.717 -39.915 80.028 1.00 0.00 C ATOM 0 H LEU A 104 -56.405 -37.380 78.897 1.00 0.00 H new ATOM 0 HA LEU A 104 -57.573 -39.941 79.728 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -56.799 -37.694 81.655 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -56.693 -39.423 81.917 1.00 0.00 H new ATOM 0 HG LEU A 104 -54.931 -37.775 80.061 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -53.179 -38.508 81.716 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -54.481 -37.616 82.539 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -54.426 -39.393 82.627 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -53.671 -39.877 79.724 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -54.867 -40.755 80.706 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -55.347 -40.043 79.147 1.00 0.00 H new ATOM 1607 N LYS A 105 -58.947 -37.084 80.575 1.00 0.00 N ATOM 1608 CA LYS A 105 -60.234 -36.474 80.970 1.00 0.00 C ATOM 1609 C LYS A 105 -60.164 -34.958 80.788 1.00 0.00 C ATOM 1610 O LYS A 105 -59.144 -34.426 80.403 1.00 0.00 O ATOM 1611 CB LYS A 105 -60.486 -36.902 82.439 1.00 0.00 C ATOM 1612 CG LYS A 105 -61.895 -36.496 82.934 1.00 0.00 C ATOM 1613 CD LYS A 105 -62.196 -37.084 84.334 1.00 0.00 C ATOM 1614 CE LYS A 105 -62.438 -38.607 84.288 1.00 0.00 C ATOM 1615 NZ LYS A 105 -63.483 -38.929 83.275 1.00 0.00 N ATOM 0 H LYS A 105 -58.164 -36.435 80.494 1.00 0.00 H new ATOM 0 HA LYS A 105 -61.066 -36.809 80.351 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -60.370 -37.982 82.526 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -59.732 -36.448 83.082 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -61.970 -35.409 82.971 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -62.645 -36.843 82.224 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -61.362 -36.871 85.003 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -63.074 -36.591 84.752 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -61.510 -39.123 84.042 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -62.750 -38.963 85.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -63.881 -39.869 83.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -64.239 -38.216 83.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -63.059 -38.927 82.326 1.00 0.00 H new ATOM 1629 N LEU A 106 -61.248 -34.282 81.063 1.00 0.00 N ATOM 1630 CA LEU A 106 -61.295 -32.789 80.920 1.00 0.00 C ATOM 1631 C LEU A 106 -61.499 -32.201 82.321 1.00 0.00 C ATOM 1632 O LEU A 106 -61.786 -32.933 83.248 1.00 0.00 O ATOM 1633 CB LEU A 106 -62.486 -32.404 80.033 1.00 0.00 C ATOM 1634 CG LEU A 106 -62.587 -33.321 78.807 1.00 0.00 C ATOM 1635 CD1 LEU A 106 -63.856 -32.944 78.049 1.00 0.00 C ATOM 1636 CD2 LEU A 106 -61.372 -33.144 77.897 1.00 0.00 C ATOM 0 H LEU A 106 -62.119 -34.704 81.386 1.00 0.00 H new ATOM 0 HA LEU A 106 -60.377 -32.412 80.469 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -63.408 -32.464 80.612 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -62.381 -31.369 79.708 1.00 0.00 H new ATOM 0 HG LEU A 106 -62.618 -34.363 79.125 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -63.957 -33.580 77.169 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -64.721 -33.082 78.697 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -63.798 -31.901 77.738 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -61.464 -33.804 77.034 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -61.319 -32.109 77.559 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -60.465 -33.393 78.448 1.00 0.00 H new ATOM 1648 N GLU A 107 -61.349 -30.905 82.463 1.00 0.00 N ATOM 1649 CA GLU A 107 -61.548 -30.272 83.824 1.00 0.00 C ATOM 1650 C GLU A 107 -62.791 -29.374 83.736 1.00 0.00 C ATOM 1651 O GLU A 107 -63.296 -29.271 82.630 1.00 0.00 O ATOM 1652 CB GLU A 107 -60.314 -29.415 84.195 1.00 0.00 C ATOM 1653 CG GLU A 107 -60.321 -29.104 85.702 1.00 0.00 C ATOM 1654 CD GLU A 107 -59.052 -28.321 86.043 1.00 0.00 C ATOM 1655 OE1 GLU A 107 -58.906 -27.255 85.468 1.00 0.00 O ATOM 1656 OE2 GLU A 107 -58.304 -28.835 86.859 1.00 0.00 O ATOM 1657 OXT GLU A 107 -63.166 -28.846 84.770 1.00 0.00 O ATOM 0 H GLU A 107 -61.101 -30.260 81.713 1.00 0.00 H new ATOM 0 HA GLU A 107 -61.675 -31.040 84.587 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -59.400 -29.946 83.929 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -60.321 -28.487 83.624 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -61.206 -28.524 85.965 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -60.362 -30.028 86.279 1.00 0.00 H new