USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 869 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 83 ASN : amide:sc= -2.32! C(o=-2.4!,f=-5.4!) USER MOD Set 1.2: A 110 SER OG : rot 180:sc= -0.105 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 63 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.83) USER MOD Set 4.1: A 51 SER OG : rot 138:sc= 1.23 USER MOD Set 4.2: A 66 ASN : amide:sc= -0.0622 X(o=1.2,f=1.2) USER MOD Set 5.1: A 48 GLN : amide:sc= 0 K(o=0.21,f=-0.54) USER MOD Set 5.2: A 93 GLN : amide:sc= 0.207 K(o=0.21,f=-0.95) USER MOD Set 6.1: A 8 SER OG : rot 81:sc= 0.00308 USER MOD Set 6.2: A 9 HIS : no HD1:sc= 0.177 K(o=0.18,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0191 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -55:sc= 0.608 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 40:sc= 0.221 USER MOD Single : A 20 THR OG1 : rot -143:sc= -2.04 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -1 USER MOD Single : A 37 SER OG : rot 48:sc= 0.0137 USER MOD Single : A 39 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.8!) USER MOD Single : A 43 CYS SG : rot 100:sc= 0.108 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.571 USER MOD Single : A 55 GLN : amide:sc= -0.857 X(o=-0.86,f=-0.73) USER MOD Single : A 58 ASN : amide:sc= -1.5 K(o=-1.5,f=-8.8!) USER MOD Single : A 69 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.2) USER MOD Single : A 72 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.42) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 34:sc= 0.0828 USER MOD Single : A 84 HIS : no HE2:sc= 0.84 K(o=0.84,f=-7.6!) USER MOD Single : A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 SER OG : rot 167:sc= 0.314 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 111 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.031) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 61:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.385 -9.069 4.679 1.00 0.00 N ATOM 2 CA GLY A 1 15.491 -7.677 5.078 1.00 0.00 C ATOM 3 C GLY A 1 16.921 -7.175 5.053 1.00 0.00 C ATOM 4 O GLY A 1 17.855 -7.927 5.330 1.00 0.00 O ATOM 0 H1 GLY A 1 14.607 -9.521 5.200 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.196 -9.124 3.658 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.276 -9.560 4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.882 -7.064 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.085 -7.558 6.082 1.00 0.00 H new ATOM 8 N SER A 2 17.092 -5.899 4.720 1.00 0.00 N ATOM 9 CA SER A 2 18.419 -5.298 4.654 1.00 0.00 C ATOM 10 C SER A 2 18.446 -3.960 5.386 1.00 0.00 C ATOM 11 O SER A 2 17.484 -3.193 5.336 1.00 0.00 O ATOM 12 CB SER A 2 18.843 -5.104 3.197 1.00 0.00 C ATOM 13 OG SER A 2 20.098 -4.451 3.114 1.00 0.00 O ATOM 0 H SER A 2 16.329 -5.262 4.492 1.00 0.00 H new ATOM 0 HA SER A 2 19.121 -5.974 5.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.900 -6.072 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.089 -4.519 2.670 1.00 0.00 H new ATOM 0 HG SER A 2 20.348 -4.340 2.173 1.00 0.00 H new ATOM 19 N SER A 3 19.554 -3.687 6.067 1.00 0.00 N ATOM 20 CA SER A 3 19.706 -2.443 6.813 1.00 0.00 C ATOM 21 C SER A 3 21.093 -1.845 6.595 1.00 0.00 C ATOM 22 O SER A 3 22.101 -2.547 6.657 1.00 0.00 O ATOM 23 CB SER A 3 19.473 -2.688 8.305 1.00 0.00 C ATOM 24 OG SER A 3 18.095 -2.606 8.626 1.00 0.00 O ATOM 0 H SER A 3 20.360 -4.310 6.118 1.00 0.00 H new ATOM 0 HA SER A 3 18.962 -1.735 6.447 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.856 -3.671 8.579 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.030 -1.955 8.889 1.00 0.00 H new ATOM 0 HG SER A 3 17.972 -2.768 9.585 1.00 0.00 H new ATOM 30 N GLY A 4 21.134 -0.541 6.339 1.00 0.00 N ATOM 31 CA GLY A 4 22.401 0.131 6.115 1.00 0.00 C ATOM 32 C GLY A 4 22.225 1.588 5.733 1.00 0.00 C ATOM 33 O GLY A 4 21.541 1.903 4.759 1.00 0.00 O ATOM 0 H GLY A 4 20.313 0.062 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.008 0.066 7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.948 -0.385 5.326 1.00 0.00 H new ATOM 37 N SER A 5 22.841 2.478 6.504 1.00 0.00 N ATOM 38 CA SER A 5 22.745 3.910 6.244 1.00 0.00 C ATOM 39 C SER A 5 24.095 4.476 5.814 1.00 0.00 C ATOM 40 O SER A 5 24.493 5.557 6.248 1.00 0.00 O ATOM 41 CB SER A 5 22.245 4.643 7.490 1.00 0.00 C ATOM 42 OG SER A 5 22.035 6.019 7.223 1.00 0.00 O ATOM 0 H SER A 5 23.412 2.233 7.313 1.00 0.00 H new ATOM 0 HA SER A 5 22.033 4.060 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.315 4.190 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.970 4.532 8.296 1.00 0.00 H new ATOM 0 HG SER A 5 22.858 6.412 6.863 1.00 0.00 H new ATOM 48 N SER A 6 24.794 3.738 4.958 1.00 0.00 N ATOM 49 CA SER A 6 26.101 4.163 4.471 1.00 0.00 C ATOM 50 C SER A 6 25.964 5.322 3.489 1.00 0.00 C ATOM 51 O SER A 6 24.980 5.417 2.756 1.00 0.00 O ATOM 52 CB SER A 6 26.824 2.994 3.800 1.00 0.00 C ATOM 53 OG SER A 6 27.503 2.198 4.756 1.00 0.00 O ATOM 0 H SER A 6 24.477 2.842 4.587 1.00 0.00 H new ATOM 0 HA SER A 6 26.687 4.501 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.105 2.381 3.257 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.536 3.375 3.068 1.00 0.00 H new ATOM 0 HG SER A 6 27.956 1.457 4.302 1.00 0.00 H new ATOM 59 N GLY A 7 26.959 6.204 3.480 1.00 0.00 N ATOM 60 CA GLY A 7 26.932 7.345 2.585 1.00 0.00 C ATOM 61 C GLY A 7 27.054 8.664 3.322 1.00 0.00 C ATOM 62 O GLY A 7 26.055 9.224 3.775 1.00 0.00 O ATOM 0 H GLY A 7 27.784 6.148 4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.746 7.258 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.002 7.335 2.016 1.00 0.00 H new ATOM 66 N SER A 8 28.281 9.160 3.446 1.00 0.00 N ATOM 67 CA SER A 8 28.530 10.418 4.140 1.00 0.00 C ATOM 68 C SER A 8 27.706 11.548 3.529 1.00 0.00 C ATOM 69 O SER A 8 27.012 12.278 4.236 1.00 0.00 O ATOM 70 CB SER A 8 30.018 10.769 4.084 1.00 0.00 C ATOM 71 OG SER A 8 30.488 10.790 2.747 1.00 0.00 O ATOM 0 H SER A 8 29.118 8.710 3.075 1.00 0.00 H new ATOM 0 HA SER A 8 28.231 10.296 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 8 30.183 11.743 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.588 10.042 4.662 1.00 0.00 H new ATOM 0 HG SER A 8 30.249 11.644 2.329 1.00 0.00 H new ATOM 77 N HIS A 9 27.790 11.685 2.209 1.00 0.00 N ATOM 78 CA HIS A 9 27.052 12.725 1.501 1.00 0.00 C ATOM 79 C HIS A 9 25.547 12.504 1.624 1.00 0.00 C ATOM 80 O HIS A 9 25.094 11.391 1.895 1.00 0.00 O ATOM 81 CB HIS A 9 27.456 12.753 0.027 1.00 0.00 C ATOM 82 CG HIS A 9 28.925 12.951 -0.188 1.00 0.00 C ATOM 83 ND1 HIS A 9 29.855 11.950 -0.002 1.00 0.00 N ATOM 84 CD2 HIS A 9 29.624 14.044 -0.575 1.00 0.00 C ATOM 85 CE1 HIS A 9 31.062 12.418 -0.265 1.00 0.00 C ATOM 86 NE2 HIS A 9 30.949 13.686 -0.616 1.00 0.00 N ATOM 0 H HIS A 9 28.361 11.090 1.609 1.00 0.00 H new ATOM 0 HA HIS A 9 27.299 13.684 1.956 1.00 0.00 H new ATOM 0 HB2 HIS A 9 27.151 11.818 -0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 9 26.913 13.553 -0.475 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.216 15.016 -0.808 1.00 0.00 H new ATOM 0 HE1 HIS A 9 31.984 11.859 -0.203 1.00 0.00 H new ATOM 0 HE2 HIS A 9 31.721 14.300 -0.876 1.00 0.00 H new ATOM 94 N ASP A 10 24.779 13.569 1.423 1.00 0.00 N ATOM 95 CA ASP A 10 23.325 13.490 1.511 1.00 0.00 C ATOM 96 C ASP A 10 22.710 13.245 0.137 1.00 0.00 C ATOM 97 O ASP A 10 21.691 13.841 -0.213 1.00 0.00 O ATOM 98 CB ASP A 10 22.760 14.777 2.115 1.00 0.00 C ATOM 99 CG ASP A 10 22.908 14.822 3.623 1.00 0.00 C ATOM 100 OD1 ASP A 10 22.078 14.202 4.320 1.00 0.00 O ATOM 101 OD2 ASP A 10 23.854 15.479 4.107 1.00 0.00 O ATOM 0 H ASP A 10 25.138 14.497 1.198 1.00 0.00 H new ATOM 0 HA ASP A 10 23.069 12.651 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.270 15.635 1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 10 21.706 14.865 1.853 1.00 0.00 H new ATOM 106 N SER A 11 23.337 12.366 -0.638 1.00 0.00 N ATOM 107 CA SER A 11 22.854 12.046 -1.976 1.00 0.00 C ATOM 108 C SER A 11 21.334 11.919 -1.989 1.00 0.00 C ATOM 109 O SER A 11 20.670 12.371 -2.922 1.00 0.00 O ATOM 110 CB SER A 11 23.490 10.746 -2.474 1.00 0.00 C ATOM 111 OG SER A 11 23.124 9.652 -1.651 1.00 0.00 O ATOM 0 H SER A 11 24.180 11.863 -0.362 1.00 0.00 H new ATOM 0 HA SER A 11 23.139 12.860 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 11 23.177 10.554 -3.500 1.00 0.00 H new ATOM 0 HB3 SER A 11 24.575 10.849 -2.486 1.00 0.00 H new ATOM 0 HG SER A 11 23.541 8.833 -1.991 1.00 0.00 H new ATOM 117 N ARG A 12 20.789 11.300 -0.947 1.00 0.00 N ATOM 118 CA ARG A 12 19.347 11.111 -0.838 1.00 0.00 C ATOM 119 C ARG A 12 18.672 12.375 -0.315 1.00 0.00 C ATOM 120 O ARG A 12 18.893 12.784 0.826 1.00 0.00 O ATOM 121 CB ARG A 12 19.034 9.933 0.086 1.00 0.00 C ATOM 122 CG ARG A 12 19.595 8.608 -0.404 1.00 0.00 C ATOM 123 CD ARG A 12 18.731 7.439 0.039 1.00 0.00 C ATOM 124 NE ARG A 12 19.281 6.157 -0.392 1.00 0.00 N ATOM 125 CZ ARG A 12 20.269 5.532 0.238 1.00 0.00 C ATOM 126 NH1 ARG A 12 20.812 6.067 1.322 1.00 0.00 N ATOM 127 NH2 ARG A 12 20.715 4.367 -0.216 1.00 0.00 N ATOM 0 H ARG A 12 21.324 10.921 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 12 18.957 10.896 -1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 12 19.435 10.143 1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 12 17.953 9.843 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.662 8.620 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.608 8.478 -0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.639 7.447 1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.726 7.557 -0.367 1.00 0.00 H new ATOM 0 HE ARG A 12 18.885 5.717 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 12 20.471 6.961 1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 12 21.571 5.584 1.804 1.00 0.00 H new ATOM 0 HH21 ARG A 12 20.299 3.951 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 12 21.474 3.888 0.268 1.00 0.00 H new ATOM 141 N LEU A 13 17.848 12.991 -1.156 1.00 0.00 N ATOM 142 CA LEU A 13 17.140 14.210 -0.779 1.00 0.00 C ATOM 143 C LEU A 13 15.685 14.156 -1.233 1.00 0.00 C ATOM 144 O LEU A 13 15.391 14.251 -2.425 1.00 0.00 O ATOM 145 CB LEU A 13 17.831 15.433 -1.385 1.00 0.00 C ATOM 146 CG LEU A 13 19.267 15.689 -0.926 1.00 0.00 C ATOM 147 CD1 LEU A 13 19.854 16.888 -1.654 1.00 0.00 C ATOM 148 CD2 LEU A 13 19.315 15.900 0.580 1.00 0.00 C ATOM 0 H LEU A 13 17.654 12.667 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 13 17.160 14.291 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 13 17.831 15.325 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.234 16.315 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 13 19.868 14.813 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 20.876 17.055 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.855 16.698 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.253 17.772 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 13 20.344 16.081 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 13 18.700 16.759 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 13 18.935 15.011 1.084 1.00 0.00 H new ATOM 160 N THR A 14 14.777 14.006 -0.274 1.00 0.00 N ATOM 161 CA THR A 14 13.352 13.942 -0.574 1.00 0.00 C ATOM 162 C THR A 14 12.574 14.982 0.223 1.00 0.00 C ATOM 163 O THR A 14 12.626 15.002 1.453 1.00 0.00 O ATOM 164 CB THR A 14 12.777 12.545 -0.272 1.00 0.00 C ATOM 165 OG1 THR A 14 13.119 12.153 1.062 1.00 0.00 O ATOM 166 CG2 THR A 14 13.307 11.517 -1.260 1.00 0.00 C ATOM 0 H THR A 14 15.003 13.927 0.717 1.00 0.00 H new ATOM 0 HA THR A 14 13.244 14.150 -1.639 1.00 0.00 H new ATOM 0 HB THR A 14 11.692 12.593 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.035 12.924 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.887 10.538 -1.027 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.020 11.803 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.394 11.472 -1.190 1.00 0.00 H new ATOM 174 N ALA A 15 11.853 15.846 -0.484 1.00 0.00 N ATOM 175 CA ALA A 15 11.062 16.887 0.159 1.00 0.00 C ATOM 176 C ALA A 15 9.605 16.826 -0.289 1.00 0.00 C ATOM 177 O ALA A 15 8.692 16.827 0.535 1.00 0.00 O ATOM 178 CB ALA A 15 11.650 18.258 -0.142 1.00 0.00 C ATOM 0 H ALA A 15 11.801 15.845 -1.503 1.00 0.00 H new ATOM 0 HA ALA A 15 11.092 16.718 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.049 19.026 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.673 18.306 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.650 18.425 -1.219 1.00 0.00 H new ATOM 184 N GLY A 16 9.396 16.772 -1.601 1.00 0.00 N ATOM 185 CA GLY A 16 8.048 16.711 -2.135 1.00 0.00 C ATOM 186 C GLY A 16 7.569 15.288 -2.342 1.00 0.00 C ATOM 187 O GLY A 16 7.026 14.955 -3.395 1.00 0.00 O ATOM 0 H GLY A 16 10.136 16.769 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.368 17.224 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.013 17.245 -3.085 1.00 0.00 H new ATOM 191 N VAL A 17 7.772 14.445 -1.335 1.00 0.00 N ATOM 192 CA VAL A 17 7.359 13.049 -1.411 1.00 0.00 C ATOM 193 C VAL A 17 6.071 12.814 -0.629 1.00 0.00 C ATOM 194 O VAL A 17 5.782 13.491 0.357 1.00 0.00 O ATOM 195 CB VAL A 17 8.453 12.109 -0.871 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.641 12.072 -1.820 1.00 0.00 C ATOM 197 CG2 VAL A 17 8.886 12.540 0.522 1.00 0.00 C ATOM 0 H VAL A 17 8.220 14.705 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 17 7.188 12.827 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 17 8.041 11.102 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.404 11.403 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.316 11.712 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.056 13.075 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.659 11.865 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.280 13.556 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.029 12.509 1.195 1.00 0.00 H new ATOM 207 N PRO A 18 5.278 11.829 -1.078 1.00 0.00 N ATOM 208 CA PRO A 18 4.008 11.481 -0.434 1.00 0.00 C ATOM 209 C PRO A 18 4.209 10.830 0.930 1.00 0.00 C ATOM 210 O PRO A 18 4.681 9.697 1.024 1.00 0.00 O ATOM 211 CB PRO A 18 3.375 10.488 -1.413 1.00 0.00 C ATOM 212 CG PRO A 18 4.527 9.893 -2.146 1.00 0.00 C ATOM 213 CD PRO A 18 5.560 10.981 -2.248 1.00 0.00 C ATOM 0 HA PRO A 18 3.394 12.361 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.803 9.724 -0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.687 10.988 -2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.923 9.028 -1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.224 9.548 -3.135 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.572 10.578 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.466 11.538 -3.180 1.00 0.00 H new ATOM 221 N ASP A 19 3.847 11.552 1.984 1.00 0.00 N ATOM 222 CA ASP A 19 3.986 11.044 3.344 1.00 0.00 C ATOM 223 C ASP A 19 3.405 9.639 3.461 1.00 0.00 C ATOM 224 O ASP A 19 2.871 9.093 2.494 1.00 0.00 O ATOM 225 CB ASP A 19 3.292 11.980 4.335 1.00 0.00 C ATOM 226 CG ASP A 19 3.847 11.851 5.739 1.00 0.00 C ATOM 227 OD1 ASP A 19 4.987 12.307 5.972 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.142 11.295 6.607 1.00 0.00 O ATOM 0 H ASP A 19 3.455 12.492 1.923 1.00 0.00 H new ATOM 0 HA ASP A 19 5.049 11.000 3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.404 13.010 3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.224 11.763 4.348 1.00 0.00 H new ATOM 233 N THR A 20 3.514 9.056 4.651 1.00 0.00 N ATOM 234 CA THR A 20 3.002 7.713 4.894 1.00 0.00 C ATOM 235 C THR A 20 1.481 7.678 4.792 1.00 0.00 C ATOM 236 O THR A 20 0.774 8.461 5.426 1.00 0.00 O ATOM 237 CB THR A 20 3.424 7.193 6.281 1.00 0.00 C ATOM 238 OG1 THR A 20 4.824 7.418 6.482 1.00 0.00 O ATOM 239 CG2 THR A 20 3.119 5.709 6.418 1.00 0.00 C ATOM 0 H THR A 20 3.952 9.493 5.462 1.00 0.00 H new ATOM 0 HA THR A 20 3.430 7.068 4.127 1.00 0.00 H new ATOM 0 HB THR A 20 2.856 7.735 7.037 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.208 6.665 6.978 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.426 5.364 7.406 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.049 5.544 6.292 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.664 5.154 5.654 1.00 0.00 H new ATOM 247 N PRO A 21 0.963 6.747 3.977 1.00 0.00 N ATOM 248 CA PRO A 21 -0.480 6.587 3.774 1.00 0.00 C ATOM 249 C PRO A 21 -1.181 6.034 5.011 1.00 0.00 C ATOM 250 O PRO A 21 -0.632 5.195 5.726 1.00 0.00 O ATOM 251 CB PRO A 21 -0.567 5.587 2.618 1.00 0.00 C ATOM 252 CG PRO A 21 0.706 4.817 2.687 1.00 0.00 C ATOM 253 CD PRO A 21 1.746 5.780 3.190 1.00 0.00 C ATOM 0 HA PRO A 21 -0.971 7.538 3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.432 4.932 2.725 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.670 6.097 1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.609 3.962 3.357 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.979 4.425 1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.496 5.278 3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.275 6.265 2.370 1.00 0.00 H new ATOM 261 N THR A 22 -2.398 6.509 5.257 1.00 0.00 N ATOM 262 CA THR A 22 -3.174 6.063 6.408 1.00 0.00 C ATOM 263 C THR A 22 -3.443 4.564 6.342 1.00 0.00 C ATOM 264 O THR A 22 -3.129 3.911 5.346 1.00 0.00 O ATOM 265 CB THR A 22 -4.517 6.811 6.503 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.359 8.162 6.057 1.00 0.00 O ATOM 267 CG2 THR A 22 -5.042 6.801 7.931 1.00 0.00 C ATOM 0 H THR A 22 -2.868 7.202 4.675 1.00 0.00 H new ATOM 0 HA THR A 22 -2.580 6.284 7.295 1.00 0.00 H new ATOM 0 HB THR A 22 -5.237 6.301 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.218 8.630 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.991 7.335 7.973 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.190 5.771 8.257 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.321 7.289 8.587 1.00 0.00 H new ATOM 275 N ARG A 23 -4.026 4.025 7.407 1.00 0.00 N ATOM 276 CA ARG A 23 -4.337 2.602 7.470 1.00 0.00 C ATOM 277 C ARG A 23 -5.006 2.135 6.181 1.00 0.00 C ATOM 278 O ARG A 23 -5.580 2.935 5.441 1.00 0.00 O ATOM 279 CB ARG A 23 -5.246 2.309 8.665 1.00 0.00 C ATOM 280 CG ARG A 23 -6.634 2.916 8.538 1.00 0.00 C ATOM 281 CD ARG A 23 -7.539 2.479 9.679 1.00 0.00 C ATOM 282 NE ARG A 23 -8.793 3.227 9.699 1.00 0.00 N ATOM 283 CZ ARG A 23 -9.845 2.878 10.431 1.00 0.00 C ATOM 284 NH1 ARG A 23 -9.794 1.799 11.199 1.00 0.00 N ATOM 285 NH2 ARG A 23 -10.952 3.610 10.396 1.00 0.00 N ATOM 0 H ARG A 23 -4.293 4.552 8.238 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.402 2.056 7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.340 1.230 8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.774 2.689 9.571 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.557 4.003 8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.076 2.619 7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.753 1.414 9.585 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.019 2.617 10.627 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.865 4.063 9.119 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.945 1.234 11.229 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.603 1.534 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.995 4.441 9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.759 3.341 10.959 1.00 0.00 H new ATOM 299 N LEU A 24 -4.929 0.835 5.918 1.00 0.00 N ATOM 300 CA LEU A 24 -5.527 0.260 4.718 1.00 0.00 C ATOM 301 C LEU A 24 -6.850 -0.427 5.044 1.00 0.00 C ATOM 302 O LEU A 24 -7.099 -0.804 6.189 1.00 0.00 O ATOM 303 CB LEU A 24 -4.565 -0.740 4.074 1.00 0.00 C ATOM 304 CG LEU A 24 -3.075 -0.465 4.278 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.238 -1.572 3.657 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.697 0.887 3.691 1.00 0.00 C ATOM 0 H LEU A 24 -4.458 0.159 6.520 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.723 1.070 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.788 -1.732 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.765 -0.768 3.003 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.872 -0.443 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.180 -1.359 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.489 -2.524 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.444 -1.628 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.633 1.066 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.915 0.894 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.272 1.671 4.184 1.00 0.00 H new ATOM 318 N VAL A 25 -7.693 -0.588 4.030 1.00 0.00 N ATOM 319 CA VAL A 25 -8.989 -1.232 4.207 1.00 0.00 C ATOM 320 C VAL A 25 -9.090 -2.502 3.370 1.00 0.00 C ATOM 321 O VAL A 25 -8.981 -2.461 2.144 1.00 0.00 O ATOM 322 CB VAL A 25 -10.143 -0.286 3.827 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.465 -1.040 3.801 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.209 0.888 4.792 1.00 0.00 C ATOM 0 H VAL A 25 -7.502 -0.281 3.076 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.073 -1.489 5.263 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.955 0.105 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.269 -0.355 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.411 -1.844 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.663 -1.461 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.030 1.546 4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.373 0.518 5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.271 1.442 4.756 1.00 0.00 H new ATOM 334 N PHE A 26 -9.301 -3.631 4.040 1.00 0.00 N ATOM 335 CA PHE A 26 -9.417 -4.914 3.357 1.00 0.00 C ATOM 336 C PHE A 26 -10.873 -5.363 3.286 1.00 0.00 C ATOM 337 O PHE A 26 -11.592 -5.336 4.285 1.00 0.00 O ATOM 338 CB PHE A 26 -8.579 -5.975 4.075 1.00 0.00 C ATOM 339 CG PHE A 26 -7.158 -5.554 4.318 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.809 -4.885 5.480 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.172 -5.826 3.384 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.502 -4.496 5.707 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.863 -5.440 3.606 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.528 -4.773 4.768 1.00 0.00 C ATOM 0 H PHE A 26 -9.395 -3.683 5.054 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.043 -4.791 2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.048 -6.211 5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.582 -6.890 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.567 -4.665 6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.428 -6.345 2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.243 -3.976 6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.103 -5.660 2.871 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.506 -4.469 4.942 1.00 0.00 H new ATOM 354 N SER A 27 -11.302 -5.774 2.097 1.00 0.00 N ATOM 355 CA SER A 27 -12.674 -6.225 1.893 1.00 0.00 C ATOM 356 C SER A 27 -12.768 -7.744 1.995 1.00 0.00 C ATOM 357 O SER A 27 -13.710 -8.281 2.577 1.00 0.00 O ATOM 358 CB SER A 27 -13.188 -5.761 0.529 1.00 0.00 C ATOM 359 OG SER A 27 -14.592 -5.921 0.431 1.00 0.00 O ATOM 0 H SER A 27 -10.719 -5.804 1.260 1.00 0.00 H new ATOM 0 HA SER A 27 -13.294 -5.787 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.927 -4.714 0.376 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.698 -6.331 -0.261 1.00 0.00 H new ATOM 0 HG SER A 27 -14.895 -5.616 -0.449 1.00 0.00 H new ATOM 365 N ALA A 28 -11.784 -8.431 1.425 1.00 0.00 N ATOM 366 CA ALA A 28 -11.753 -9.888 1.453 1.00 0.00 C ATOM 367 C ALA A 28 -12.945 -10.476 0.706 1.00 0.00 C ATOM 368 O ALA A 28 -13.704 -11.275 1.257 1.00 0.00 O ATOM 369 CB ALA A 28 -11.729 -10.388 2.890 1.00 0.00 C ATOM 0 H ALA A 28 -10.997 -8.002 0.938 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.844 -10.218 0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.706 -11.478 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.842 -10.004 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.622 -10.041 3.411 1.00 0.00 H new ATOM 375 N LEU A 29 -13.105 -10.077 -0.551 1.00 0.00 N ATOM 376 CA LEU A 29 -14.206 -10.565 -1.375 1.00 0.00 C ATOM 377 C LEU A 29 -14.398 -12.067 -1.194 1.00 0.00 C ATOM 378 O LEU A 29 -15.515 -12.575 -1.276 1.00 0.00 O ATOM 379 CB LEU A 29 -13.947 -10.246 -2.848 1.00 0.00 C ATOM 380 CG LEU A 29 -13.836 -8.763 -3.204 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.676 -7.921 -2.256 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.382 -8.315 -3.172 1.00 0.00 C ATOM 0 H LEU A 29 -12.486 -9.417 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.118 -10.060 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.024 -10.742 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.751 -10.682 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.217 -8.623 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.584 -6.869 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.720 -8.224 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.326 -8.066 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.321 -7.257 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.975 -8.471 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.806 -8.896 -3.893 1.00 0.00 H new ATOM 394 N GLY A 30 -13.298 -12.773 -0.945 1.00 0.00 N ATOM 395 CA GLY A 30 -13.367 -14.210 -0.755 1.00 0.00 C ATOM 396 C GLY A 30 -12.108 -14.772 -0.124 1.00 0.00 C ATOM 397 O GLY A 30 -11.275 -14.039 0.410 1.00 0.00 O ATOM 0 H GLY A 30 -12.362 -12.375 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.224 -14.449 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.534 -14.693 -1.718 1.00 0.00 H new ATOM 401 N PRO A 31 -11.958 -16.103 -0.179 1.00 0.00 N ATOM 402 CA PRO A 31 -10.795 -16.793 0.388 1.00 0.00 C ATOM 403 C PRO A 31 -9.518 -16.517 -0.398 1.00 0.00 C ATOM 404 O PRO A 31 -8.416 -16.558 0.151 1.00 0.00 O ATOM 405 CB PRO A 31 -11.176 -18.272 0.288 1.00 0.00 C ATOM 406 CG PRO A 31 -12.152 -18.337 -0.835 1.00 0.00 C ATOM 407 CD PRO A 31 -12.911 -17.039 -0.799 1.00 0.00 C ATOM 0 HA PRO A 31 -10.580 -16.462 1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.303 -18.893 0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.618 -18.631 1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.641 -18.464 -1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.825 -19.186 -0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.200 -16.715 -1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.827 -17.125 -0.215 1.00 0.00 H new ATOM 415 N THR A 32 -9.671 -16.236 -1.688 1.00 0.00 N ATOM 416 CA THR A 32 -8.530 -15.955 -2.550 1.00 0.00 C ATOM 417 C THR A 32 -8.658 -14.582 -3.201 1.00 0.00 C ATOM 418 O THR A 32 -8.063 -14.322 -4.246 1.00 0.00 O ATOM 419 CB THR A 32 -8.383 -17.020 -3.653 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.607 -17.141 -4.384 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.007 -18.368 -3.055 1.00 0.00 C ATOM 0 H THR A 32 -10.575 -16.197 -2.159 1.00 0.00 H new ATOM 0 HA THR A 32 -7.643 -15.974 -1.916 1.00 0.00 H new ATOM 0 HB THR A 32 -7.588 -16.705 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.504 -17.819 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.909 -19.105 -3.852 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.059 -18.279 -2.524 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.784 -18.687 -2.360 1.00 0.00 H new ATOM 429 N SER A 33 -9.438 -13.706 -2.575 1.00 0.00 N ATOM 430 CA SER A 33 -9.646 -12.359 -3.095 1.00 0.00 C ATOM 431 C SER A 33 -9.653 -11.335 -1.964 1.00 0.00 C ATOM 432 O SER A 33 -10.054 -11.638 -0.839 1.00 0.00 O ATOM 433 CB SER A 33 -10.962 -12.288 -3.871 1.00 0.00 C ATOM 434 OG SER A 33 -11.977 -13.035 -3.224 1.00 0.00 O ATOM 0 H SER A 33 -9.936 -13.905 -1.707 1.00 0.00 H new ATOM 0 HA SER A 33 -8.822 -12.124 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.276 -11.249 -3.966 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.813 -12.670 -4.881 1.00 0.00 H new ATOM 0 HG SER A 33 -12.808 -12.972 -3.739 1.00 0.00 H new ATOM 440 N LEU A 34 -9.206 -10.123 -2.270 1.00 0.00 N ATOM 441 CA LEU A 34 -9.159 -9.052 -1.280 1.00 0.00 C ATOM 442 C LEU A 34 -9.196 -7.684 -1.955 1.00 0.00 C ATOM 443 O LEU A 34 -8.977 -7.571 -3.162 1.00 0.00 O ATOM 444 CB LEU A 34 -7.899 -9.176 -0.423 1.00 0.00 C ATOM 445 CG LEU A 34 -8.038 -9.997 0.860 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.720 -10.671 1.208 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.507 -9.115 2.008 1.00 0.00 C ATOM 0 H LEU A 34 -8.871 -9.856 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.036 -9.145 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.112 -9.621 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.566 -8.173 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.786 -10.772 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.838 -11.250 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.424 -11.334 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.951 -9.912 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.601 -9.715 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.782 -8.318 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.475 -8.679 1.760 1.00 0.00 H new ATOM 459 N ARG A 35 -9.472 -6.649 -1.169 1.00 0.00 N ATOM 460 CA ARG A 35 -9.535 -5.289 -1.690 1.00 0.00 C ATOM 461 C ARG A 35 -8.898 -4.303 -0.716 1.00 0.00 C ATOM 462 O ARG A 35 -9.485 -3.960 0.310 1.00 0.00 O ATOM 463 CB ARG A 35 -10.988 -4.891 -1.959 1.00 0.00 C ATOM 464 CG ARG A 35 -11.137 -3.509 -2.575 1.00 0.00 C ATOM 465 CD ARG A 35 -12.598 -3.103 -2.685 1.00 0.00 C ATOM 466 NE ARG A 35 -12.760 -1.820 -3.363 1.00 0.00 N ATOM 467 CZ ARG A 35 -13.895 -1.425 -3.928 1.00 0.00 C ATOM 468 NH1 ARG A 35 -14.963 -2.210 -3.897 1.00 0.00 N ATOM 469 NH2 ARG A 35 -13.964 -0.242 -4.527 1.00 0.00 N ATOM 0 H ARG A 35 -9.656 -6.726 -0.169 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.977 -5.259 -2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.440 -5.627 -2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.544 -4.924 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.600 -2.779 -1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.680 -3.499 -3.565 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.148 -3.872 -3.228 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.034 -3.044 -1.688 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.957 -1.192 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.914 -3.120 -3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.834 -1.904 -4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.145 0.365 -4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.836 0.060 -4.961 1.00 0.00 H new ATOM 483 N VAL A 36 -7.692 -3.850 -1.045 1.00 0.00 N ATOM 484 CA VAL A 36 -6.974 -2.903 -0.200 1.00 0.00 C ATOM 485 C VAL A 36 -7.232 -1.467 -0.642 1.00 0.00 C ATOM 486 O VAL A 36 -7.061 -1.127 -1.813 1.00 0.00 O ATOM 487 CB VAL A 36 -5.458 -3.170 -0.220 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.698 -1.980 0.346 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.131 -4.439 0.554 1.00 0.00 C ATOM 0 H VAL A 36 -7.192 -4.124 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.346 -3.040 0.815 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.145 -3.311 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.628 -2.187 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.909 -1.095 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.012 -1.804 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.055 -4.613 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.458 -4.329 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.646 -5.285 0.099 1.00 0.00 H new ATOM 499 N SER A 37 -7.645 -0.628 0.302 1.00 0.00 N ATOM 500 CA SER A 37 -7.930 0.772 0.009 1.00 0.00 C ATOM 501 C SER A 37 -7.213 1.690 0.995 1.00 0.00 C ATOM 502 O SER A 37 -7.295 1.501 2.208 1.00 0.00 O ATOM 503 CB SER A 37 -9.437 1.029 0.060 1.00 0.00 C ATOM 504 OG SER A 37 -9.714 2.405 0.256 1.00 0.00 O ATOM 0 H SER A 37 -7.790 -0.893 1.276 1.00 0.00 H new ATOM 0 HA SER A 37 -7.565 0.989 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.898 0.691 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.881 0.447 0.867 1.00 0.00 H new ATOM 0 HG SER A 37 -9.172 2.939 -0.362 1.00 0.00 H new ATOM 510 N TRP A 38 -6.511 2.684 0.463 1.00 0.00 N ATOM 511 CA TRP A 38 -5.778 3.632 1.295 1.00 0.00 C ATOM 512 C TRP A 38 -6.305 5.049 1.098 1.00 0.00 C ATOM 513 O TRP A 38 -7.291 5.261 0.392 1.00 0.00 O ATOM 514 CB TRP A 38 -4.285 3.580 0.969 1.00 0.00 C ATOM 515 CG TRP A 38 -3.990 3.723 -0.493 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.602 4.859 -1.144 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.062 2.694 -1.486 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.428 4.599 -2.482 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.703 3.278 -2.717 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.392 1.337 -1.455 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.668 2.550 -3.904 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.356 0.615 -2.634 1.00 0.00 C ATOM 523 CH2 TRP A 38 -3.996 1.222 -3.844 1.00 0.00 C ATOM 0 H TRP A 38 -6.434 2.855 -0.540 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.925 3.351 2.338 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.774 4.373 1.515 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.876 2.634 1.324 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.454 5.821 -0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.141 5.279 -3.186 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.670 0.860 -0.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.392 3.016 -4.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.610 -0.435 -2.622 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.977 0.631 -4.748 1.00 0.00 H new ATOM 534 N GLN A 39 -5.642 6.015 1.725 1.00 0.00 N ATOM 535 CA GLN A 39 -6.046 7.412 1.618 1.00 0.00 C ATOM 536 C GLN A 39 -4.937 8.252 0.991 1.00 0.00 C ATOM 537 O GLN A 39 -3.785 8.194 1.419 1.00 0.00 O ATOM 538 CB GLN A 39 -6.406 7.968 2.997 1.00 0.00 C ATOM 539 CG GLN A 39 -7.250 9.231 2.941 1.00 0.00 C ATOM 540 CD GLN A 39 -8.724 8.940 2.741 1.00 0.00 C ATOM 541 OE1 GLN A 39 -9.104 8.200 1.833 1.00 0.00 O ATOM 542 NE2 GLN A 39 -9.564 9.522 3.589 1.00 0.00 N ATOM 0 H GLN A 39 -4.823 5.856 2.312 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.924 7.462 0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.945 7.205 3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.488 8.178 3.546 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.117 9.794 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.895 9.865 2.128 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.205 10.128 4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.568 9.363 3.502 1.00 0.00 H new ATOM 551 N GLU A 40 -5.295 9.031 -0.025 1.00 0.00 N ATOM 552 CA GLU A 40 -4.329 9.882 -0.710 1.00 0.00 C ATOM 553 C GLU A 40 -3.539 10.722 0.288 1.00 0.00 C ATOM 554 O GLU A 40 -4.048 11.679 0.873 1.00 0.00 O ATOM 555 CB GLU A 40 -5.041 10.795 -1.711 1.00 0.00 C ATOM 556 CG GLU A 40 -4.091 11.592 -2.590 1.00 0.00 C ATOM 557 CD GLU A 40 -4.771 12.154 -3.824 1.00 0.00 C ATOM 558 OE1 GLU A 40 -4.957 11.394 -4.797 1.00 0.00 O ATOM 559 OE2 GLU A 40 -5.116 13.354 -3.815 1.00 0.00 O ATOM 0 H GLU A 40 -6.245 9.090 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.633 9.238 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.688 10.190 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.684 11.486 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.665 12.411 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.262 10.953 -2.895 1.00 0.00 H new ATOM 566 N PRO A 41 -2.264 10.358 0.489 1.00 0.00 N ATOM 567 CA PRO A 41 -1.375 11.064 1.417 1.00 0.00 C ATOM 568 C PRO A 41 -1.001 12.455 0.916 1.00 0.00 C ATOM 569 O PRO A 41 -1.234 12.789 -0.246 1.00 0.00 O ATOM 570 CB PRO A 41 -0.137 10.166 1.476 1.00 0.00 C ATOM 571 CG PRO A 41 -0.144 9.426 0.182 1.00 0.00 C ATOM 572 CD PRO A 41 -1.591 9.228 -0.174 1.00 0.00 C ATOM 0 HA PRO A 41 -1.845 11.228 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.774 10.754 1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.184 9.482 2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.375 9.990 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.369 8.469 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.745 9.246 -1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.966 8.270 0.186 1.00 0.00 H new ATOM 580 N ARG A 42 -0.420 13.260 1.798 1.00 0.00 N ATOM 581 CA ARG A 42 -0.014 14.615 1.445 1.00 0.00 C ATOM 582 C ARG A 42 1.235 14.598 0.568 1.00 0.00 C ATOM 583 O ARG A 42 2.145 13.796 0.783 1.00 0.00 O ATOM 584 CB ARG A 42 0.248 15.438 2.708 1.00 0.00 C ATOM 585 CG ARG A 42 1.347 14.867 3.589 1.00 0.00 C ATOM 586 CD ARG A 42 2.065 15.962 4.363 1.00 0.00 C ATOM 587 NE ARG A 42 3.007 15.416 5.336 1.00 0.00 N ATOM 588 CZ ARG A 42 4.046 16.093 5.813 1.00 0.00 C ATOM 589 NH1 ARG A 42 4.275 17.335 5.409 1.00 0.00 N ATOM 590 NH2 ARG A 42 4.859 15.528 6.697 1.00 0.00 N ATOM 0 H ARG A 42 -0.219 12.998 2.763 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.826 15.075 0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.516 16.455 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.673 15.503 3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.919 14.148 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.064 14.325 2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.598 16.609 3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.332 16.583 4.877 1.00 0.00 H new ATOM 0 HE ARG A 42 2.859 14.463 5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.653 17.773 4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.073 17.852 5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.687 14.573 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.656 16.049 7.062 1.00 0.00 H new ATOM 604 N CYS A 43 1.271 15.485 -0.419 1.00 0.00 N ATOM 605 CA CYS A 43 2.407 15.571 -1.330 1.00 0.00 C ATOM 606 C CYS A 43 2.372 16.874 -2.122 1.00 0.00 C ATOM 607 O CYS A 43 1.404 17.155 -2.829 1.00 0.00 O ATOM 608 CB CYS A 43 2.412 14.378 -2.286 1.00 0.00 C ATOM 609 SG CYS A 43 0.954 14.279 -3.351 1.00 0.00 S ATOM 0 H CYS A 43 0.526 16.156 -0.609 1.00 0.00 H new ATOM 0 HA CYS A 43 3.320 15.554 -0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.303 14.431 -2.912 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.486 13.460 -1.704 1.00 0.00 H new ATOM 0 HG CYS A 43 1.241 14.759 -4.525 1.00 0.00 H new ATOM 615 N GLU A 44 3.432 17.665 -1.998 1.00 0.00 N ATOM 616 CA GLU A 44 3.520 18.939 -2.702 1.00 0.00 C ATOM 617 C GLU A 44 3.486 18.730 -4.213 1.00 0.00 C ATOM 618 O GLU A 44 3.105 19.627 -4.966 1.00 0.00 O ATOM 619 CB GLU A 44 4.801 19.678 -2.307 1.00 0.00 C ATOM 620 CG GLU A 44 4.863 20.044 -0.834 1.00 0.00 C ATOM 621 CD GLU A 44 4.031 21.268 -0.502 1.00 0.00 C ATOM 622 OE1 GLU A 44 3.887 22.143 -1.381 1.00 0.00 O ATOM 623 OE2 GLU A 44 3.525 21.351 0.637 1.00 0.00 O ATOM 0 H GLU A 44 4.242 17.447 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 44 2.658 19.542 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.661 19.055 -2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.884 20.587 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.515 19.200 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.900 20.227 -0.552 1.00 0.00 H new ATOM 630 N ARG A 45 3.887 17.540 -4.649 1.00 0.00 N ATOM 631 CA ARG A 45 3.905 17.213 -6.069 1.00 0.00 C ATOM 632 C ARG A 45 2.784 16.237 -6.416 1.00 0.00 C ATOM 633 O ARG A 45 2.337 15.446 -5.585 1.00 0.00 O ATOM 634 CB ARG A 45 5.257 16.614 -6.460 1.00 0.00 C ATOM 635 CG ARG A 45 6.444 17.472 -6.054 1.00 0.00 C ATOM 636 CD ARG A 45 6.646 18.633 -7.014 1.00 0.00 C ATOM 637 NE ARG A 45 7.739 19.506 -6.595 1.00 0.00 N ATOM 638 CZ ARG A 45 7.600 20.482 -5.705 1.00 0.00 C ATOM 639 NH1 ARG A 45 6.421 20.708 -5.143 1.00 0.00 N ATOM 640 NH2 ARG A 45 8.642 21.234 -5.375 1.00 0.00 N ATOM 0 H ARG A 45 4.204 16.787 -4.039 1.00 0.00 H new ATOM 0 HA ARG A 45 3.748 18.134 -6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.356 15.631 -6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.280 16.464 -7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.289 17.855 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.345 16.859 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.853 18.246 -8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.725 19.212 -7.081 1.00 0.00 H new ATOM 0 HE ARG A 45 8.660 19.358 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.618 20.132 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.317 21.458 -4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.551 21.063 -5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.534 21.983 -4.691 1.00 0.00 H new ATOM 654 N PRO A 46 2.318 16.293 -7.673 1.00 0.00 N ATOM 655 CA PRO A 46 1.245 15.421 -8.158 1.00 0.00 C ATOM 656 C PRO A 46 1.689 13.968 -8.283 1.00 0.00 C ATOM 657 O PRO A 46 2.725 13.674 -8.881 1.00 0.00 O ATOM 658 CB PRO A 46 0.914 15.999 -9.536 1.00 0.00 C ATOM 659 CG PRO A 46 2.164 16.683 -9.970 1.00 0.00 C ATOM 660 CD PRO A 46 2.805 17.211 -8.716 1.00 0.00 C ATOM 0 HA PRO A 46 0.397 15.400 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.629 15.214 -10.236 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.079 16.697 -9.482 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.829 15.990 -10.486 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.944 17.492 -10.666 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.893 17.200 -8.785 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.509 18.241 -8.516 1.00 0.00 H new ATOM 668 N LEU A 47 0.901 13.062 -7.716 1.00 0.00 N ATOM 669 CA LEU A 47 1.213 11.638 -7.765 1.00 0.00 C ATOM 670 C LEU A 47 0.928 11.064 -9.149 1.00 0.00 C ATOM 671 O LEU A 47 0.039 11.538 -9.856 1.00 0.00 O ATOM 672 CB LEU A 47 0.403 10.881 -6.710 1.00 0.00 C ATOM 673 CG LEU A 47 0.394 11.489 -5.307 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.865 11.083 -4.558 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.636 11.068 -4.535 1.00 0.00 C ATOM 0 H LEU A 47 0.041 13.288 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 47 2.276 11.518 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.627 10.805 -7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.793 9.865 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 47 0.401 12.575 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.854 11.525 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.741 11.436 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.903 9.997 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.613 11.510 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.660 9.982 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.526 11.410 -5.063 1.00 0.00 H new ATOM 687 N GLN A 48 1.687 10.041 -9.528 1.00 0.00 N ATOM 688 CA GLN A 48 1.515 9.403 -10.828 1.00 0.00 C ATOM 689 C GLN A 48 0.749 8.091 -10.692 1.00 0.00 C ATOM 690 O GLN A 48 0.111 7.632 -11.638 1.00 0.00 O ATOM 691 CB GLN A 48 2.875 9.149 -11.480 1.00 0.00 C ATOM 692 CG GLN A 48 3.633 10.421 -11.822 1.00 0.00 C ATOM 693 CD GLN A 48 4.988 10.145 -12.443 1.00 0.00 C ATOM 694 OE1 GLN A 48 5.459 9.007 -12.452 1.00 0.00 O ATOM 695 NE2 GLN A 48 5.623 11.186 -12.966 1.00 0.00 N ATOM 0 H GLN A 48 2.427 9.636 -8.954 1.00 0.00 H new ATOM 0 HA GLN A 48 0.938 10.076 -11.462 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.483 8.543 -10.808 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.729 8.567 -12.390 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.037 11.020 -12.511 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.766 11.014 -10.917 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.195 12.112 -12.937 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.539 11.061 -13.398 1.00 0.00 H new ATOM 704 N GLY A 49 0.819 7.490 -9.508 1.00 0.00 N ATOM 705 CA GLY A 49 0.129 6.236 -9.270 1.00 0.00 C ATOM 706 C GLY A 49 0.331 5.721 -7.859 1.00 0.00 C ATOM 707 O GLY A 49 0.532 6.502 -6.929 1.00 0.00 O ATOM 0 H GLY A 49 1.342 7.850 -8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.937 6.371 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.484 5.489 -9.980 1.00 0.00 H new ATOM 711 N TYR A 50 0.275 4.404 -7.698 1.00 0.00 N ATOM 712 CA TYR A 50 0.449 3.786 -6.388 1.00 0.00 C ATOM 713 C TYR A 50 1.061 2.395 -6.520 1.00 0.00 C ATOM 714 O TYR A 50 1.153 1.846 -7.618 1.00 0.00 O ATOM 715 CB TYR A 50 -0.893 3.699 -5.660 1.00 0.00 C ATOM 716 CG TYR A 50 -1.346 5.013 -5.065 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.720 5.542 -3.943 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.400 5.725 -5.624 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.131 6.742 -3.395 1.00 0.00 C ATOM 720 CE2 TYR A 50 -2.816 6.927 -5.085 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.179 7.431 -3.970 1.00 0.00 C ATOM 722 OH TYR A 50 -2.591 8.627 -3.429 1.00 0.00 O ATOM 0 H TYR A 50 0.111 3.743 -8.458 1.00 0.00 H new ATOM 0 HA TYR A 50 1.129 4.409 -5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.652 3.344 -6.357 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.818 2.957 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.102 5.006 -3.492 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.903 5.332 -6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.635 7.138 -2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.635 7.469 -5.534 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.338 8.983 -3.953 1.00 0.00 H new ATOM 732 N SER A 51 1.476 1.829 -5.391 1.00 0.00 N ATOM 733 CA SER A 51 2.082 0.503 -5.378 1.00 0.00 C ATOM 734 C SER A 51 1.662 -0.274 -4.134 1.00 0.00 C ATOM 735 O SER A 51 1.837 0.192 -3.008 1.00 0.00 O ATOM 736 CB SER A 51 3.607 0.615 -5.433 1.00 0.00 C ATOM 737 OG SER A 51 4.070 0.619 -6.772 1.00 0.00 O ATOM 0 H SER A 51 1.403 2.268 -4.473 1.00 0.00 H new ATOM 0 HA SER A 51 1.733 -0.038 -6.258 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.926 1.529 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.056 -0.218 -4.892 1.00 0.00 H new ATOM 0 HG SER A 51 4.780 1.287 -6.871 1.00 0.00 H new ATOM 743 N VAL A 52 1.107 -1.463 -4.346 1.00 0.00 N ATOM 744 CA VAL A 52 0.663 -2.307 -3.244 1.00 0.00 C ATOM 745 C VAL A 52 1.396 -3.644 -3.244 1.00 0.00 C ATOM 746 O VAL A 52 1.058 -4.548 -4.008 1.00 0.00 O ATOM 747 CB VAL A 52 -0.854 -2.566 -3.311 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.318 -3.342 -2.087 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.613 -1.255 -3.441 1.00 0.00 C ATOM 0 H VAL A 52 0.954 -1.863 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 52 0.893 -1.771 -2.323 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.063 -3.169 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.392 -3.516 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.798 -4.299 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.097 -2.768 -1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.683 -1.457 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.400 -0.624 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.301 -0.743 -4.351 1.00 0.00 H new ATOM 759 N GLU A 53 2.402 -3.761 -2.383 1.00 0.00 N ATOM 760 CA GLU A 53 3.183 -4.988 -2.285 1.00 0.00 C ATOM 761 C GLU A 53 2.679 -5.865 -1.142 1.00 0.00 C ATOM 762 O GLU A 53 2.554 -5.410 -0.005 1.00 0.00 O ATOM 763 CB GLU A 53 4.664 -4.661 -2.077 1.00 0.00 C ATOM 764 CG GLU A 53 5.440 -4.501 -3.373 1.00 0.00 C ATOM 765 CD GLU A 53 6.819 -3.907 -3.158 1.00 0.00 C ATOM 766 OE1 GLU A 53 6.930 -2.933 -2.384 1.00 0.00 O ATOM 767 OE2 GLU A 53 7.785 -4.417 -3.762 1.00 0.00 O ATOM 0 H GLU A 53 2.695 -3.022 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 53 3.067 -5.537 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.746 -3.741 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.122 -5.453 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.539 -5.473 -3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.876 -3.863 -4.054 1.00 0.00 H new ATOM 774 N TYR A 54 2.392 -7.124 -1.453 1.00 0.00 N ATOM 775 CA TYR A 54 1.898 -8.064 -0.453 1.00 0.00 C ATOM 776 C TYR A 54 2.630 -9.399 -0.553 1.00 0.00 C ATOM 777 O TYR A 54 3.021 -9.824 -1.639 1.00 0.00 O ATOM 778 CB TYR A 54 0.394 -8.280 -0.625 1.00 0.00 C ATOM 779 CG TYR A 54 0.037 -9.134 -1.821 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.128 -10.519 -1.763 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.389 -8.555 -3.010 1.00 0.00 C ATOM 782 CE1 TYR A 54 -0.196 -11.303 -2.854 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.716 -9.331 -4.106 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.618 -10.704 -4.022 1.00 0.00 C ATOM 785 OH TYR A 54 -0.941 -11.480 -5.111 1.00 0.00 O ATOM 0 H TYR A 54 2.493 -7.517 -2.389 1.00 0.00 H new ATOM 0 HA TYR A 54 2.087 -7.639 0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.003 -8.748 0.276 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.095 -7.311 -0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.458 -10.991 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.466 -7.480 -3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.119 -12.378 -2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.046 -8.865 -5.023 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.220 -10.903 -5.852 1.00 0.00 H new ATOM 795 N GLN A 55 2.810 -10.054 0.589 1.00 0.00 N ATOM 796 CA GLN A 55 3.495 -11.341 0.632 1.00 0.00 C ATOM 797 C GLN A 55 3.230 -12.055 1.953 1.00 0.00 C ATOM 798 O GLN A 55 2.928 -11.421 2.964 1.00 0.00 O ATOM 799 CB GLN A 55 5.000 -11.148 0.435 1.00 0.00 C ATOM 800 CG GLN A 55 5.733 -10.749 1.705 1.00 0.00 C ATOM 801 CD GLN A 55 7.179 -10.371 1.450 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.666 -9.359 1.955 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.874 -11.184 0.664 1.00 0.00 N ATOM 0 H GLN A 55 2.491 -9.715 1.497 1.00 0.00 H new ATOM 0 HA GLN A 55 3.106 -11.959 -0.178 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.430 -12.074 0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.164 -10.384 -0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.218 -9.908 2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.697 -11.575 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.430 -12.012 0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.852 -10.981 0.457 1.00 0.00 H new ATOM 812 N LEU A 56 3.345 -13.379 1.937 1.00 0.00 N ATOM 813 CA LEU A 56 3.117 -14.181 3.134 1.00 0.00 C ATOM 814 C LEU A 56 3.741 -13.520 4.359 1.00 0.00 C ATOM 815 O LEU A 56 4.957 -13.334 4.425 1.00 0.00 O ATOM 816 CB LEU A 56 3.694 -15.585 2.949 1.00 0.00 C ATOM 817 CG LEU A 56 2.852 -16.552 2.117 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.661 -17.787 1.751 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.589 -16.944 2.871 1.00 0.00 C ATOM 0 H LEU A 56 3.595 -13.919 1.109 1.00 0.00 H new ATOM 0 HA LEU A 56 2.041 -14.255 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.675 -15.494 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.849 -16.025 3.934 1.00 0.00 H new ATOM 0 HG LEU A 56 2.560 -16.048 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.045 -18.463 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.535 -17.491 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.984 -18.293 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.002 -17.633 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.861 -17.428 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.999 -16.052 3.081 1.00 0.00 H new ATOM 831 N LEU A 57 2.903 -13.169 5.327 1.00 0.00 N ATOM 832 CA LEU A 57 3.372 -12.530 6.552 1.00 0.00 C ATOM 833 C LEU A 57 4.750 -13.054 6.945 1.00 0.00 C ATOM 834 O LEU A 57 5.709 -12.290 7.047 1.00 0.00 O ATOM 835 CB LEU A 57 2.378 -12.772 7.690 1.00 0.00 C ATOM 836 CG LEU A 57 2.339 -11.705 8.785 1.00 0.00 C ATOM 837 CD1 LEU A 57 1.360 -12.100 9.879 1.00 0.00 C ATOM 838 CD2 LEU A 57 3.729 -11.484 9.364 1.00 0.00 C ATOM 0 H LEU A 57 1.894 -13.316 5.288 1.00 0.00 H new ATOM 0 HA LEU A 57 3.449 -11.458 6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.380 -12.861 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.612 -13.731 8.153 1.00 0.00 H new ATOM 0 HG LEU A 57 1.999 -10.769 8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.345 -11.329 10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.362 -12.207 9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.670 -13.048 10.320 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.682 -10.722 10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.097 -12.416 9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.404 -11.155 8.574 1.00 0.00 H new ATOM 850 N ASN A 58 4.840 -14.362 7.164 1.00 0.00 N ATOM 851 CA ASN A 58 6.101 -14.988 7.544 1.00 0.00 C ATOM 852 C ASN A 58 7.204 -14.638 6.549 1.00 0.00 C ATOM 853 O ASN A 58 8.304 -14.248 6.938 1.00 0.00 O ATOM 854 CB ASN A 58 5.936 -16.507 7.626 1.00 0.00 C ATOM 855 CG ASN A 58 5.005 -17.046 6.557 1.00 0.00 C ATOM 856 OD1 ASN A 58 5.275 -16.919 5.363 1.00 0.00 O ATOM 857 ND2 ASN A 58 3.903 -17.651 6.983 1.00 0.00 N ATOM 0 H ASN A 58 4.055 -15.009 7.085 1.00 0.00 H new ATOM 0 HA ASN A 58 6.386 -14.607 8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.912 -16.982 7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.550 -16.775 8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.239 -18.034 6.310 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.720 -17.733 7.983 1.00 0.00 H new ATOM 864 N GLY A 59 6.900 -14.781 5.263 1.00 0.00 N ATOM 865 CA GLY A 59 7.875 -14.476 4.232 1.00 0.00 C ATOM 866 C GLY A 59 7.877 -15.499 3.114 1.00 0.00 C ATOM 867 O GLY A 59 8.516 -16.545 3.221 1.00 0.00 O ATOM 0 H GLY A 59 5.996 -15.103 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.664 -13.490 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.868 -14.429 4.678 1.00 0.00 H new ATOM 871 N GLY A 60 7.157 -15.199 2.037 1.00 0.00 N ATOM 872 CA GLY A 60 7.090 -16.112 0.911 1.00 0.00 C ATOM 873 C GLY A 60 7.143 -15.393 -0.422 1.00 0.00 C ATOM 874 O GLY A 60 8.090 -14.659 -0.701 1.00 0.00 O ATOM 0 H GLY A 60 6.619 -14.340 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.917 -16.820 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.169 -16.692 0.971 1.00 0.00 H new ATOM 878 N GLU A 61 6.124 -15.605 -1.249 1.00 0.00 N ATOM 879 CA GLU A 61 6.061 -14.973 -2.561 1.00 0.00 C ATOM 880 C GLU A 61 5.585 -13.528 -2.447 1.00 0.00 C ATOM 881 O GLU A 61 4.561 -13.247 -1.822 1.00 0.00 O ATOM 882 CB GLU A 61 5.127 -15.758 -3.486 1.00 0.00 C ATOM 883 CG GLU A 61 5.257 -15.374 -4.950 1.00 0.00 C ATOM 884 CD GLU A 61 4.773 -16.466 -5.884 1.00 0.00 C ATOM 885 OE1 GLU A 61 3.777 -17.139 -5.546 1.00 0.00 O ATOM 886 OE2 GLU A 61 5.390 -16.646 -6.955 1.00 0.00 O ATOM 0 H GLU A 61 5.331 -16.209 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 61 7.065 -14.974 -2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.334 -16.823 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.097 -15.600 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.687 -14.464 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.300 -15.148 -5.171 1.00 0.00 H new ATOM 893 N LEU A 62 6.335 -12.615 -3.054 1.00 0.00 N ATOM 894 CA LEU A 62 5.991 -11.197 -3.020 1.00 0.00 C ATOM 895 C LEU A 62 5.387 -10.752 -4.348 1.00 0.00 C ATOM 896 O LEU A 62 5.960 -10.986 -5.412 1.00 0.00 O ATOM 897 CB LEU A 62 7.231 -10.359 -2.705 1.00 0.00 C ATOM 898 CG LEU A 62 7.047 -8.842 -2.757 1.00 0.00 C ATOM 899 CD1 LEU A 62 6.903 -8.371 -4.196 1.00 0.00 C ATOM 900 CD2 LEU A 62 5.838 -8.423 -1.934 1.00 0.00 C ATOM 0 H LEU A 62 7.185 -12.831 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 62 5.249 -11.047 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.583 -10.628 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.018 -10.634 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 62 7.933 -8.373 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.773 -7.289 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.798 -8.638 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.034 -8.848 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.722 -7.340 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.943 -8.902 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.981 -8.727 -0.897 1.00 0.00 H new ATOM 912 N HIS A 63 4.226 -10.108 -4.277 1.00 0.00 N ATOM 913 CA HIS A 63 3.545 -9.627 -5.474 1.00 0.00 C ATOM 914 C HIS A 63 3.417 -8.107 -5.453 1.00 0.00 C ATOM 915 O HIS A 63 2.798 -7.539 -4.552 1.00 0.00 O ATOM 916 CB HIS A 63 2.160 -10.265 -5.589 1.00 0.00 C ATOM 917 CG HIS A 63 2.197 -11.757 -5.714 1.00 0.00 C ATOM 918 ND1 HIS A 63 2.366 -12.407 -6.919 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.086 -12.727 -4.777 1.00 0.00 C ATOM 920 CE1 HIS A 63 2.356 -13.713 -6.717 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.189 -13.933 -5.425 1.00 0.00 N ATOM 0 H HIS A 63 3.738 -9.907 -3.404 1.00 0.00 H new ATOM 0 HA HIS A 63 4.142 -9.912 -6.341 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.571 -9.997 -4.712 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.648 -9.848 -6.456 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.943 -12.580 -3.717 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.466 -14.471 -7.478 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.144 -14.850 -4.981 1.00 0.00 H new ATOM 929 N ARG A 64 4.007 -7.454 -6.449 1.00 0.00 N ATOM 930 CA ARG A 64 3.961 -6.000 -6.543 1.00 0.00 C ATOM 931 C ARG A 64 2.841 -5.551 -7.476 1.00 0.00 C ATOM 932 O ARG A 64 2.804 -5.931 -8.647 1.00 0.00 O ATOM 933 CB ARG A 64 5.302 -5.457 -7.040 1.00 0.00 C ATOM 934 CG ARG A 64 5.402 -3.941 -6.988 1.00 0.00 C ATOM 935 CD ARG A 64 6.664 -3.443 -7.675 1.00 0.00 C ATOM 936 NE ARG A 64 6.681 -3.776 -9.097 1.00 0.00 N ATOM 937 CZ ARG A 64 7.170 -4.914 -9.579 1.00 0.00 C ATOM 938 NH1 ARG A 64 7.679 -5.821 -8.757 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.150 -5.145 -10.886 1.00 0.00 N ATOM 0 H ARG A 64 4.523 -7.909 -7.202 1.00 0.00 H new ATOM 0 HA ARG A 64 3.763 -5.603 -5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.104 -5.886 -6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.461 -5.788 -8.066 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.528 -3.501 -7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.397 -3.610 -5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.740 -2.362 -7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.537 -3.880 -7.190 1.00 0.00 H new ATOM 0 HE ARG A 64 6.297 -3.099 -9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.696 -5.646 -7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.054 -6.694 -9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.759 -4.449 -11.521 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.525 -6.019 -11.255 1.00 0.00 H new ATOM 953 N LEU A 65 1.928 -4.741 -6.950 1.00 0.00 N ATOM 954 CA LEU A 65 0.806 -4.240 -7.736 1.00 0.00 C ATOM 955 C LEU A 65 0.953 -2.746 -8.004 1.00 0.00 C ATOM 956 O LEU A 65 0.994 -1.940 -7.076 1.00 0.00 O ATOM 957 CB LEU A 65 -0.512 -4.512 -7.009 1.00 0.00 C ATOM 958 CG LEU A 65 -0.749 -5.956 -6.566 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.944 -6.038 -5.628 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.955 -6.858 -7.775 1.00 0.00 C ATOM 0 H LEU A 65 1.943 -4.417 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 65 0.802 -4.763 -8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.557 -3.871 -6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.332 -4.214 -7.662 1.00 0.00 H new ATOM 0 HG LEU A 65 0.134 -6.300 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.097 -7.073 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.758 -5.424 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.835 -5.675 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.122 -7.882 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.821 -6.515 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.070 -6.824 -8.410 1.00 0.00 H new ATOM 972 N ASN A 66 1.030 -2.384 -9.281 1.00 0.00 N ATOM 973 CA ASN A 66 1.171 -0.986 -9.672 1.00 0.00 C ATOM 974 C ASN A 66 -0.176 -0.397 -10.078 1.00 0.00 C ATOM 975 O ASN A 66 -0.991 -1.066 -10.714 1.00 0.00 O ATOM 976 CB ASN A 66 2.167 -0.856 -10.826 1.00 0.00 C ATOM 977 CG ASN A 66 3.555 -1.335 -10.449 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.091 -0.961 -9.406 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.145 -2.167 -11.300 1.00 0.00 N ATOM 0 H ASN A 66 0.997 -3.039 -10.062 1.00 0.00 H new ATOM 0 HA ASN A 66 1.546 -0.430 -8.813 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.807 -1.430 -11.679 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.219 0.186 -11.142 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.080 -2.522 -11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.663 -2.451 -12.153 1.00 0.00 H new ATOM 986 N ILE A 67 -0.402 0.859 -9.708 1.00 0.00 N ATOM 987 CA ILE A 67 -1.649 1.539 -10.035 1.00 0.00 C ATOM 988 C ILE A 67 -1.416 2.658 -11.045 1.00 0.00 C ATOM 989 O ILE A 67 -0.844 3.702 -10.731 1.00 0.00 O ATOM 990 CB ILE A 67 -2.316 2.128 -8.778 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.265 1.120 -7.628 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.754 2.525 -9.078 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.182 -0.067 -7.823 1.00 0.00 C ATOM 0 H ILE A 67 0.262 1.426 -9.182 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.311 0.791 -10.471 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.768 3.021 -8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.241 0.763 -7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.532 1.626 -6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.212 2.940 -8.180 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.767 3.273 -9.870 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.314 1.647 -9.399 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.093 -0.739 -6.970 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.212 0.279 -7.907 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.902 -0.597 -8.733 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.871 2.438 -12.287 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.726 3.418 -13.368 1.00 0.00 C ATOM 1007 C PRO A 68 -2.605 4.646 -13.159 1.00 0.00 C ATOM 1008 O PRO A 68 -2.647 5.542 -14.001 1.00 0.00 O ATOM 1009 CB PRO A 68 -2.176 2.644 -14.610 1.00 0.00 C ATOM 1010 CG PRO A 68 -3.091 1.591 -14.090 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.562 1.217 -12.732 1.00 0.00 C ATOM 0 HA PRO A 68 -0.709 3.805 -13.434 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.686 3.296 -15.319 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.326 2.206 -15.133 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.114 1.962 -14.022 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.109 0.727 -14.754 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.366 0.939 -12.050 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.882 0.367 -12.786 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.305 4.682 -12.029 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.183 5.802 -11.709 1.00 0.00 C ATOM 1021 C ASN A 69 -3.890 6.341 -10.312 1.00 0.00 C ATOM 1022 O ASN A 69 -4.124 5.677 -9.302 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.648 5.372 -11.806 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.593 6.554 -11.894 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.251 7.596 -12.453 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.790 6.398 -11.340 1.00 0.00 N ATOM 0 H ASN A 69 -3.281 3.949 -11.320 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.996 6.596 -12.432 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.780 4.738 -12.683 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.905 4.769 -10.935 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.468 7.160 -11.368 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.031 5.517 -10.887 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.366 7.574 -10.252 1.00 0.00 N ATOM 1034 CA PRO A 70 -3.031 8.230 -8.985 1.00 0.00 C ATOM 1035 C PRO A 70 -4.271 8.612 -8.184 1.00 0.00 C ATOM 1036 O PRO A 70 -4.169 9.094 -7.056 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.271 9.484 -9.424 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.766 9.763 -10.802 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.060 8.423 -11.416 1.00 0.00 C ATOM 0 HA PRO A 70 -2.458 7.576 -8.327 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.469 10.321 -8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.194 9.317 -9.416 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.661 10.385 -10.777 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.018 10.303 -11.383 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.900 8.474 -12.108 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.207 8.042 -11.978 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.441 8.394 -8.775 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.701 8.713 -8.115 1.00 0.00 C ATOM 1049 C ALA A 71 -7.331 7.467 -7.502 1.00 0.00 C ATOM 1050 O ALA A 71 -8.134 7.559 -6.574 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.662 9.363 -9.099 1.00 0.00 C ATOM 0 H ALA A 71 -5.543 7.998 -9.709 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.492 9.416 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.599 9.596 -8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.221 10.281 -9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.856 8.678 -9.924 1.00 0.00 H new ATOM 1057 N GLN A 72 -6.962 6.303 -8.028 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.493 5.039 -7.533 1.00 0.00 C ATOM 1059 C GLN A 72 -6.793 4.622 -6.244 1.00 0.00 C ATOM 1060 O GLN A 72 -5.689 4.078 -6.272 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.334 3.945 -8.590 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.594 2.544 -8.061 1.00 0.00 C ATOM 1063 CD GLN A 72 -7.063 1.464 -8.982 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -7.074 1.614 -10.204 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.594 0.367 -8.400 1.00 0.00 N ATOM 0 H GLN A 72 -6.298 6.210 -8.796 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.553 5.178 -7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.019 4.146 -9.414 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.324 3.989 -8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.131 2.439 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.666 2.405 -7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.604 0.285 -7.383 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.223 -0.394 -8.969 1.00 0.00 H new ATOM 1074 N THR A 73 -7.442 4.881 -5.113 1.00 0.00 N ATOM 1075 CA THR A 73 -6.881 4.535 -3.813 1.00 0.00 C ATOM 1076 C THR A 73 -7.437 3.207 -3.311 1.00 0.00 C ATOM 1077 O THR A 73 -7.626 3.017 -2.109 1.00 0.00 O ATOM 1078 CB THR A 73 -7.169 5.628 -2.767 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.583 5.794 -2.609 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.541 6.950 -3.179 1.00 0.00 C ATOM 0 H THR A 73 -8.357 5.329 -5.071 1.00 0.00 H new ATOM 0 HA THR A 73 -5.803 4.447 -3.947 1.00 0.00 H new ATOM 0 HB THR A 73 -6.732 5.317 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.758 6.489 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.758 7.707 -2.425 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.462 6.827 -3.270 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.953 7.265 -4.138 1.00 0.00 H new ATOM 1088 N SER A 74 -7.695 2.290 -4.238 1.00 0.00 N ATOM 1089 CA SER A 74 -8.232 0.980 -3.889 1.00 0.00 C ATOM 1090 C SER A 74 -7.908 -0.046 -4.970 1.00 0.00 C ATOM 1091 O SER A 74 -8.196 0.165 -6.149 1.00 0.00 O ATOM 1092 CB SER A 74 -9.746 1.064 -3.687 1.00 0.00 C ATOM 1093 OG SER A 74 -10.373 1.707 -4.783 1.00 0.00 O ATOM 0 H SER A 74 -7.541 2.430 -5.236 1.00 0.00 H new ATOM 0 HA SER A 74 -7.765 0.660 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.156 0.061 -3.567 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.964 1.609 -2.769 1.00 0.00 H new ATOM 0 HG SER A 74 -9.896 1.483 -5.610 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.307 -1.158 -4.561 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.944 -2.219 -5.493 1.00 0.00 C ATOM 1101 C VAL A 75 -7.414 -3.579 -4.989 1.00 0.00 C ATOM 1102 O VAL A 75 -7.393 -3.849 -3.788 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.422 -2.267 -5.723 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.697 -2.605 -4.430 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.080 -3.271 -6.814 1.00 0.00 C ATOM 0 H VAL A 75 -7.061 -1.348 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.440 -1.994 -6.437 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.090 -1.282 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.623 -2.634 -4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.917 -1.845 -3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.031 -3.578 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.001 -3.292 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.425 -4.262 -6.518 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.569 -2.979 -7.743 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.839 -4.433 -5.915 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.313 -5.766 -5.565 1.00 0.00 C ATOM 1117 C VAL A 76 -7.212 -6.805 -5.741 1.00 0.00 C ATOM 1118 O VAL A 76 -6.686 -6.989 -6.839 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.528 -6.172 -6.421 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -9.856 -7.644 -6.219 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.729 -5.299 -6.090 1.00 0.00 C ATOM 0 H VAL A 76 -7.865 -4.225 -6.913 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.611 -5.731 -4.517 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.277 -6.021 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.717 -7.912 -6.832 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.999 -8.251 -6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.087 -7.824 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.578 -5.600 -6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.984 -5.415 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.487 -4.256 -6.292 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.866 -7.483 -4.651 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.827 -8.505 -4.684 1.00 0.00 C ATOM 1133 C VAL A 77 -6.432 -9.901 -4.778 1.00 0.00 C ATOM 1134 O VAL A 77 -7.345 -10.244 -4.027 1.00 0.00 O ATOM 1135 CB VAL A 77 -4.927 -8.431 -3.436 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.870 -9.525 -3.474 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.281 -7.058 -3.326 1.00 0.00 C ATOM 0 H VAL A 77 -7.290 -7.343 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.223 -8.313 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.546 -8.588 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.244 -9.457 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.356 -10.500 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.252 -9.403 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.649 -7.023 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.674 -6.869 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.057 -6.296 -3.249 1.00 0.00 H new ATOM 1147 N GLU A 78 -5.917 -10.702 -5.706 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.408 -12.062 -5.898 1.00 0.00 C ATOM 1149 C GLU A 78 -5.249 -13.047 -6.021 1.00 0.00 C ATOM 1150 O GLU A 78 -4.083 -12.665 -5.919 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.291 -12.137 -7.146 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.527 -11.258 -7.071 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.532 -11.570 -8.163 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -9.171 -11.454 -9.353 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.680 -11.930 -7.827 1.00 0.00 O ATOM 0 H GLU A 78 -5.161 -10.433 -6.336 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.001 -12.334 -5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.701 -11.847 -8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.600 -13.171 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.001 -11.387 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.229 -10.212 -7.144 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.579 -14.315 -6.239 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.567 -15.355 -6.376 1.00 0.00 C ATOM 1164 C ASP A 79 -3.782 -15.525 -5.079 1.00 0.00 C ATOM 1165 O ASP A 79 -2.550 -15.551 -5.084 1.00 0.00 O ATOM 1166 CB ASP A 79 -3.612 -15.020 -7.524 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.085 -15.578 -8.851 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -4.858 -16.560 -8.842 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -3.683 -15.034 -9.901 1.00 0.00 O ATOM 0 H ASP A 79 -6.540 -14.647 -6.325 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.075 -16.294 -6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.510 -13.938 -7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.623 -15.418 -7.298 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.502 -15.638 -3.968 1.00 0.00 N ATOM 1175 CA LEU A 80 -3.874 -15.804 -2.662 1.00 0.00 C ATOM 1176 C LEU A 80 -4.112 -17.208 -2.118 1.00 0.00 C ATOM 1177 O LEU A 80 -4.715 -18.050 -2.785 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.415 -14.765 -1.679 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.335 -13.306 -2.132 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.467 -12.495 -1.520 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -2.987 -12.706 -1.763 1.00 0.00 C ATOM 0 H LEU A 80 -5.522 -15.618 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.800 -15.658 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.458 -15.002 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.869 -14.864 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.438 -13.276 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.394 -11.460 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.424 -12.911 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.395 -12.532 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.948 -11.668 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.854 -12.748 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.192 -13.271 -2.249 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.637 -17.455 -0.902 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.800 -18.757 -0.266 1.00 0.00 C ATOM 1195 C LEU A 81 -4.722 -18.660 0.945 1.00 0.00 C ATOM 1196 O LEU A 81 -4.665 -17.709 1.725 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.440 -19.314 0.158 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.518 -19.768 -0.975 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.085 -19.892 -0.480 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -1.999 -21.090 -1.556 1.00 0.00 C ATOM 0 H LEU A 81 -3.136 -16.770 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.253 -19.433 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.922 -18.550 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.608 -20.160 0.824 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.545 -19.016 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.556 -20.216 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.258 -18.925 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.041 -20.624 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.332 -21.398 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.002 -21.851 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.009 -20.969 -1.948 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.591 -19.668 1.110 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.540 -19.721 2.226 1.00 0.00 C ATOM 1214 C PRO A 82 -5.850 -19.968 3.563 1.00 0.00 C ATOM 1215 O PRO A 82 -4.851 -20.682 3.633 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.446 -20.901 1.866 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.610 -21.766 0.988 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.714 -20.835 0.220 1.00 0.00 C ATOM 0 HA PRO A 82 -7.074 -18.779 2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.770 -21.438 2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.346 -20.566 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.025 -22.472 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.232 -22.354 0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.744 -21.288 0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.148 -20.563 -0.742 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.390 -19.373 4.622 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.825 -19.529 5.957 1.00 0.00 C ATOM 1228 C ASN A 83 -4.333 -19.212 5.957 1.00 0.00 C ATOM 1229 O ASN A 83 -3.526 -19.968 6.499 1.00 0.00 O ATOM 1230 CB ASN A 83 -6.056 -20.953 6.468 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.503 -21.206 6.841 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -7.797 -21.718 7.921 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.416 -20.846 5.946 1.00 0.00 N ATOM 0 H ASN A 83 -7.218 -18.779 4.581 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.327 -18.826 6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.752 -21.665 5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.423 -21.131 7.337 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.407 -20.991 6.141 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.127 -20.425 5.063 1.00 0.00 H new ATOM 1240 N HIS A 84 -3.972 -18.088 5.345 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.576 -17.670 5.275 1.00 0.00 C ATOM 1242 C HIS A 84 -2.452 -16.160 5.456 1.00 0.00 C ATOM 1243 O HIS A 84 -3.147 -15.387 4.798 1.00 0.00 O ATOM 1244 CB HIS A 84 -1.963 -18.087 3.938 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.498 -19.510 3.911 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.356 -20.581 3.776 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.254 -20.037 4.000 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.661 -21.704 3.785 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.382 -21.402 3.919 1.00 0.00 N ATOM 0 H HIS A 84 -4.626 -17.451 4.891 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.034 -18.161 6.083 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.699 -17.939 3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.120 -17.433 3.715 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.370 -20.516 3.684 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.668 -19.486 4.114 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.069 -22.700 3.698 1.00 0.00 H new ATOM 1257 N SER A 85 -1.562 -15.748 6.354 1.00 0.00 N ATOM 1258 CA SER A 85 -1.350 -14.331 6.625 1.00 0.00 C ATOM 1259 C SER A 85 -0.599 -13.665 5.476 1.00 0.00 C ATOM 1260 O SER A 85 0.152 -14.317 4.750 1.00 0.00 O ATOM 1261 CB SER A 85 -0.573 -14.151 7.930 1.00 0.00 C ATOM 1262 OG SER A 85 -1.278 -14.709 9.025 1.00 0.00 O ATOM 0 H SER A 85 -0.977 -16.375 6.906 1.00 0.00 H new ATOM 0 HA SER A 85 -2.325 -13.855 6.723 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.404 -14.625 7.843 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.398 -13.090 8.109 1.00 0.00 H new ATOM 0 HG SER A 85 -0.759 -14.582 9.847 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.806 -12.362 5.319 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.151 -11.607 4.258 1.00 0.00 C ATOM 1270 C TYR A 86 0.090 -10.163 4.686 1.00 0.00 C ATOM 1271 O TYR A 86 -0.840 -9.452 5.069 1.00 0.00 O ATOM 1272 CB TYR A 86 -0.998 -11.638 2.984 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.822 -12.900 2.171 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.261 -13.054 1.315 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.740 -13.940 2.260 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.425 -14.206 0.570 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.584 -15.096 1.519 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.500 -15.224 0.676 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.340 -16.373 -0.064 1.00 0.00 O ATOM 0 H TYR A 86 -1.422 -11.807 5.913 1.00 0.00 H new ATOM 0 HA TYR A 86 0.814 -12.073 4.057 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.049 -11.533 3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.740 -10.778 2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.988 -12.259 1.230 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.590 -13.843 2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.272 -14.309 -0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.307 -15.895 1.600 1.00 0.00 H new ATOM 0 HH TYR A 86 0.615 -16.535 -0.214 1.00 0.00 H new ATOM 1289 N VAL A 87 1.347 -9.734 4.619 1.00 0.00 N ATOM 1290 CA VAL A 87 1.712 -8.375 4.998 1.00 0.00 C ATOM 1291 C VAL A 87 1.599 -7.424 3.812 1.00 0.00 C ATOM 1292 O VAL A 87 2.443 -7.428 2.916 1.00 0.00 O ATOM 1293 CB VAL A 87 3.147 -8.314 5.555 1.00 0.00 C ATOM 1294 CG1 VAL A 87 4.147 -8.773 4.505 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.473 -6.908 6.034 1.00 0.00 C ATOM 0 H VAL A 87 2.129 -10.309 4.306 1.00 0.00 H new ATOM 0 HA VAL A 87 1.014 -8.066 5.776 1.00 0.00 H new ATOM 0 HB VAL A 87 3.216 -8.989 6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.155 -8.723 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.924 -9.800 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.079 -8.126 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.490 -6.883 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.387 -6.211 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.776 -6.621 6.821 1.00 0.00 H new ATOM 1305 N PHE A 88 0.549 -6.609 3.812 1.00 0.00 N ATOM 1306 CA PHE A 88 0.323 -5.652 2.735 1.00 0.00 C ATOM 1307 C PHE A 88 1.005 -4.321 3.039 1.00 0.00 C ATOM 1308 O PHE A 88 0.850 -3.767 4.127 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.176 -5.434 2.524 1.00 0.00 C ATOM 1310 CG PHE A 88 -1.847 -6.556 1.786 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.144 -7.747 2.430 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.183 -6.421 0.448 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.761 -8.782 1.752 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.800 -7.452 -0.234 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.090 -8.634 0.419 1.00 0.00 C ATOM 0 H PHE A 88 -0.159 -6.592 4.546 1.00 0.00 H new ATOM 0 HA PHE A 88 0.755 -6.061 1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.657 -5.309 3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.326 -4.506 1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.891 -7.868 3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.960 -5.499 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.986 -9.706 2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.055 -7.334 -1.277 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.573 -9.441 -0.112 1.00 0.00 H new ATOM 1325 N ARG A 89 1.761 -3.816 2.069 1.00 0.00 N ATOM 1326 CA ARG A 89 2.468 -2.551 2.233 1.00 0.00 C ATOM 1327 C ARG A 89 2.185 -1.615 1.062 1.00 0.00 C ATOM 1328 O ARG A 89 2.768 -1.754 -0.013 1.00 0.00 O ATOM 1329 CB ARG A 89 3.973 -2.796 2.352 1.00 0.00 C ATOM 1330 CG ARG A 89 4.350 -3.732 3.488 1.00 0.00 C ATOM 1331 CD ARG A 89 5.839 -3.671 3.790 1.00 0.00 C ATOM 1332 NE ARG A 89 6.250 -4.710 4.730 1.00 0.00 N ATOM 1333 CZ ARG A 89 6.352 -5.994 4.408 1.00 0.00 C ATOM 1334 NH1 ARG A 89 6.075 -6.396 3.175 1.00 0.00 N ATOM 1335 NH2 ARG A 89 6.733 -6.880 5.320 1.00 0.00 N ATOM 0 H ARG A 89 1.900 -4.263 1.163 1.00 0.00 H new ATOM 0 HA ARG A 89 2.110 -2.079 3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.340 -3.211 1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.478 -1.841 2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.785 -3.467 4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.072 -4.753 3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.402 -3.778 2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.086 -2.692 4.201 1.00 0.00 H new ATOM 0 HE ARG A 89 6.471 -4.434 5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.783 -5.718 2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.154 -7.383 2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.948 -6.575 6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.811 -7.866 5.072 1.00 0.00 H new ATOM 1349 N VAL A 90 1.285 -0.660 1.278 1.00 0.00 N ATOM 1350 CA VAL A 90 0.925 0.300 0.241 1.00 0.00 C ATOM 1351 C VAL A 90 1.849 1.512 0.270 1.00 0.00 C ATOM 1352 O VAL A 90 2.400 1.861 1.314 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.532 0.774 0.398 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.858 1.847 -0.630 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.490 -0.401 0.276 1.00 0.00 C ATOM 0 H VAL A 90 0.792 -0.531 2.162 1.00 0.00 H new ATOM 0 HA VAL A 90 1.032 -0.211 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.650 1.208 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.891 2.170 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.192 2.699 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.724 1.442 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.515 -0.048 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.373 -0.866 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.270 -1.132 1.054 1.00 0.00 H new ATOM 1365 N ARG A 91 2.012 2.152 -0.883 1.00 0.00 N ATOM 1366 CA ARG A 91 2.870 3.326 -0.990 1.00 0.00 C ATOM 1367 C ARG A 91 2.485 4.172 -2.201 1.00 0.00 C ATOM 1368 O ARG A 91 1.827 3.691 -3.123 1.00 0.00 O ATOM 1369 CB ARG A 91 4.337 2.904 -1.095 1.00 0.00 C ATOM 1370 CG ARG A 91 4.575 1.765 -2.073 1.00 0.00 C ATOM 1371 CD ARG A 91 6.047 1.392 -2.145 1.00 0.00 C ATOM 1372 NE ARG A 91 6.400 0.362 -1.171 1.00 0.00 N ATOM 1373 CZ ARG A 91 7.579 -0.249 -1.142 1.00 0.00 C ATOM 1374 NH1 ARG A 91 8.514 0.065 -2.027 1.00 0.00 N ATOM 1375 NH2 ARG A 91 7.824 -1.176 -0.225 1.00 0.00 N ATOM 0 H ARG A 91 1.561 1.878 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 91 2.735 3.927 -0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.933 3.764 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.692 2.605 -0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.992 0.895 -1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.223 2.054 -3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.282 1.038 -3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.655 2.280 -1.970 1.00 0.00 H new ATOM 0 HE ARG A 91 5.703 0.098 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.329 0.778 -2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.418 -0.406 -2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.107 -1.420 0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.730 -1.645 -0.203 1.00 0.00 H new ATOM 1389 N ALA A 92 2.900 5.434 -2.190 1.00 0.00 N ATOM 1390 CA ALA A 92 2.600 6.346 -3.287 1.00 0.00 C ATOM 1391 C ALA A 92 3.878 6.832 -3.962 1.00 0.00 C ATOM 1392 O ALA A 92 4.927 6.929 -3.326 1.00 0.00 O ATOM 1393 CB ALA A 92 1.785 7.528 -2.783 1.00 0.00 C ATOM 0 H ALA A 92 3.445 5.848 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 92 2.013 5.803 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.568 8.201 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.850 7.169 -2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.352 8.063 -2.021 1.00 0.00 H new ATOM 1399 N GLN A 93 3.782 7.135 -5.252 1.00 0.00 N ATOM 1400 CA GLN A 93 4.932 7.609 -6.013 1.00 0.00 C ATOM 1401 C GLN A 93 4.664 8.991 -6.599 1.00 0.00 C ATOM 1402 O GLN A 93 3.606 9.236 -7.179 1.00 0.00 O ATOM 1403 CB GLN A 93 5.271 6.624 -7.133 1.00 0.00 C ATOM 1404 CG GLN A 93 6.316 7.146 -8.107 1.00 0.00 C ATOM 1405 CD GLN A 93 6.214 6.498 -9.474 1.00 0.00 C ATOM 1406 OE1 GLN A 93 5.597 7.046 -10.388 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.820 5.326 -9.620 1.00 0.00 N ATOM 0 H GLN A 93 2.920 7.061 -5.792 1.00 0.00 H new ATOM 0 HA GLN A 93 5.781 7.681 -5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.630 5.694 -6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.361 6.385 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.203 8.225 -8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.310 6.967 -7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.320 4.909 -8.835 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.786 4.842 -10.517 1.00 0.00 H new ATOM 1416 N SER A 94 5.630 9.892 -6.445 1.00 0.00 N ATOM 1417 CA SER A 94 5.497 11.251 -6.955 1.00 0.00 C ATOM 1418 C SER A 94 6.742 11.663 -7.735 1.00 0.00 C ATOM 1419 O SER A 94 7.771 10.990 -7.681 1.00 0.00 O ATOM 1420 CB SER A 94 5.255 12.229 -5.804 1.00 0.00 C ATOM 1421 OG SER A 94 6.480 12.704 -5.273 1.00 0.00 O ATOM 0 H SER A 94 6.513 9.704 -5.971 1.00 0.00 H new ATOM 0 HA SER A 94 4.642 11.277 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.657 13.070 -6.156 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.681 11.737 -5.019 1.00 0.00 H new ATOM 0 HG SER A 94 6.308 13.477 -4.695 1.00 0.00 H new ATOM 1427 N GLN A 95 6.639 12.773 -8.458 1.00 0.00 N ATOM 1428 CA GLN A 95 7.756 13.275 -9.250 1.00 0.00 C ATOM 1429 C GLN A 95 9.073 13.105 -8.500 1.00 0.00 C ATOM 1430 O GLN A 95 10.106 12.809 -9.101 1.00 0.00 O ATOM 1431 CB GLN A 95 7.540 14.749 -9.598 1.00 0.00 C ATOM 1432 CG GLN A 95 8.756 15.409 -10.228 1.00 0.00 C ATOM 1433 CD GLN A 95 8.492 16.844 -10.642 1.00 0.00 C ATOM 1434 OE1 GLN A 95 7.422 17.166 -11.159 1.00 0.00 O ATOM 1435 NE2 GLN A 95 9.468 17.715 -10.416 1.00 0.00 N ATOM 0 H GLN A 95 5.794 13.342 -8.512 1.00 0.00 H new ATOM 0 HA GLN A 95 7.806 12.695 -10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.696 14.832 -10.283 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.270 15.292 -8.692 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.585 15.386 -9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.065 14.834 -11.101 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.339 17.405 -9.985 1.00 0.00 H new ATOM 0 HE22 GLN A 95 9.347 18.695 -10.673 1.00 0.00 H new ATOM 1444 N GLU A 96 9.030 13.296 -7.186 1.00 0.00 N ATOM 1445 CA GLU A 96 10.221 13.165 -6.355 1.00 0.00 C ATOM 1446 C GLU A 96 10.650 11.705 -6.245 1.00 0.00 C ATOM 1447 O GLU A 96 11.709 11.318 -6.738 1.00 0.00 O ATOM 1448 CB GLU A 96 9.964 13.739 -4.960 1.00 0.00 C ATOM 1449 CG GLU A 96 10.223 15.233 -4.860 1.00 0.00 C ATOM 1450 CD GLU A 96 11.701 15.567 -4.818 1.00 0.00 C ATOM 1451 OE1 GLU A 96 12.393 15.324 -5.829 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.167 16.071 -3.774 1.00 0.00 O ATOM 0 H GLU A 96 8.183 13.542 -6.673 1.00 0.00 H new ATOM 0 HA GLU A 96 11.026 13.728 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.930 13.538 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.597 13.220 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.765 15.735 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.741 15.622 -3.963 1.00 0.00 H new ATOM 1459 N GLY A 97 9.818 10.898 -5.593 1.00 0.00 N ATOM 1460 CA GLY A 97 10.128 9.489 -5.429 1.00 0.00 C ATOM 1461 C GLY A 97 9.204 8.804 -4.441 1.00 0.00 C ATOM 1462 O GLY A 97 8.351 9.447 -3.830 1.00 0.00 O ATOM 0 H GLY A 97 8.936 11.194 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.057 8.989 -6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.159 9.384 -5.091 1.00 0.00 H new ATOM 1466 N TRP A 98 9.373 7.496 -4.286 1.00 0.00 N ATOM 1467 CA TRP A 98 8.546 6.723 -3.367 1.00 0.00 C ATOM 1468 C TRP A 98 8.787 7.153 -1.924 1.00 0.00 C ATOM 1469 O TRP A 98 9.909 7.085 -1.425 1.00 0.00 O ATOM 1470 CB TRP A 98 8.836 5.229 -3.521 1.00 0.00 C ATOM 1471 CG TRP A 98 8.419 4.677 -4.851 1.00 0.00 C ATOM 1472 CD1 TRP A 98 9.219 4.471 -5.939 1.00 0.00 C ATOM 1473 CD2 TRP A 98 7.103 4.264 -5.233 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.478 3.955 -6.975 1.00 0.00 N ATOM 1475 CE2 TRP A 98 7.178 3.817 -6.567 1.00 0.00 C ATOM 1476 CE3 TRP A 98 5.869 4.226 -4.579 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 6.066 3.340 -7.256 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.766 3.752 -5.263 1.00 0.00 C ATOM 1479 CH2 TRP A 98 4.870 3.314 -6.590 1.00 0.00 C ATOM 0 H TRP A 98 10.075 6.949 -4.784 1.00 0.00 H new ATOM 0 HA TRP A 98 7.501 6.911 -3.613 1.00 0.00 H new ATOM 0 HB2 TRP A 98 9.903 5.057 -3.383 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.320 4.683 -2.731 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.277 4.682 -5.979 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.838 3.714 -7.898 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.779 4.561 -3.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.144 3.003 -8.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.807 3.719 -4.766 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.989 2.949 -7.097 1.00 0.00 H new ATOM 1490 N GLY A 99 7.725 7.597 -1.258 1.00 0.00 N ATOM 1491 CA GLY A 99 7.843 8.032 0.122 1.00 0.00 C ATOM 1492 C GLY A 99 7.820 6.873 1.099 1.00 0.00 C ATOM 1493 O GLY A 99 8.670 5.985 1.038 1.00 0.00 O ATOM 0 H GLY A 99 6.785 7.663 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.772 8.589 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.027 8.716 0.355 1.00 0.00 H new ATOM 1497 N ARG A 100 6.846 6.883 2.003 1.00 0.00 N ATOM 1498 CA ARG A 100 6.718 5.826 2.999 1.00 0.00 C ATOM 1499 C ARG A 100 5.571 4.884 2.648 1.00 0.00 C ATOM 1500 O ARG A 100 4.906 5.054 1.627 1.00 0.00 O ATOM 1501 CB ARG A 100 6.491 6.429 4.387 1.00 0.00 C ATOM 1502 CG ARG A 100 7.777 6.793 5.111 1.00 0.00 C ATOM 1503 CD ARG A 100 7.577 7.981 6.039 1.00 0.00 C ATOM 1504 NE ARG A 100 8.846 8.585 6.435 1.00 0.00 N ATOM 1505 CZ ARG A 100 8.960 9.834 6.874 1.00 0.00 C ATOM 1506 NH1 ARG A 100 7.887 10.606 6.973 1.00 0.00 N ATOM 1507 NH2 ARG A 100 10.150 10.312 7.216 1.00 0.00 N ATOM 0 H ARG A 100 6.134 7.611 2.066 1.00 0.00 H new ATOM 0 HA ARG A 100 7.646 5.254 3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.874 7.322 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.930 5.719 4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.127 5.936 5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.553 7.026 4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.959 8.729 5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.035 7.659 6.928 1.00 0.00 H new ATOM 0 HE ARG A 100 9.691 8.017 6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.971 10.242 6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.978 11.564 7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.978 9.721 7.142 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.237 11.271 7.553 1.00 0.00 H new ATOM 1521 N GLU A 101 5.345 3.890 3.502 1.00 0.00 N ATOM 1522 CA GLU A 101 4.279 2.921 3.281 1.00 0.00 C ATOM 1523 C GLU A 101 3.561 2.593 4.587 1.00 0.00 C ATOM 1524 O GLU A 101 4.015 2.969 5.668 1.00 0.00 O ATOM 1525 CB GLU A 101 4.844 1.641 2.662 1.00 0.00 C ATOM 1526 CG GLU A 101 5.998 1.043 3.448 1.00 0.00 C ATOM 1527 CD GLU A 101 5.777 1.103 4.946 1.00 0.00 C ATOM 1528 OE1 GLU A 101 4.942 0.326 5.455 1.00 0.00 O ATOM 1529 OE2 GLU A 101 6.440 1.927 5.611 1.00 0.00 O ATOM 0 H GLU A 101 5.886 3.735 4.353 1.00 0.00 H new ATOM 0 HA GLU A 101 3.559 3.363 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.046 0.902 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.179 1.855 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.138 0.005 3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.916 1.574 3.199 1.00 0.00 H new ATOM 1536 N ARG A 102 2.438 1.891 4.478 1.00 0.00 N ATOM 1537 CA ARG A 102 1.656 1.515 5.650 1.00 0.00 C ATOM 1538 C ARG A 102 1.414 0.008 5.680 1.00 0.00 C ATOM 1539 O ARG A 102 0.725 -0.537 4.818 1.00 0.00 O ATOM 1540 CB ARG A 102 0.318 2.257 5.656 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.589 1.867 6.813 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.151 2.527 8.111 1.00 0.00 C ATOM 1543 NE ARG A 102 -0.475 3.951 8.137 1.00 0.00 N ATOM 1544 CZ ARG A 102 0.120 4.825 8.941 1.00 0.00 C ATOM 1545 NH1 ARG A 102 1.066 4.423 9.779 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -0.230 6.105 8.907 1.00 0.00 N ATOM 0 H ARG A 102 2.049 1.571 3.591 1.00 0.00 H new ATOM 0 HA ARG A 102 2.222 1.793 6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.507 3.330 5.699 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.200 2.062 4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.615 2.155 6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.581 0.784 6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.635 2.030 8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.924 2.397 8.239 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.197 4.293 7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.338 3.440 9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.521 5.096 10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.956 6.418 8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.227 6.775 9.525 1.00 0.00 H new ATOM 1560 N GLU A 103 1.986 -0.657 6.679 1.00 0.00 N ATOM 1561 CA GLU A 103 1.833 -2.101 6.820 1.00 0.00 C ATOM 1562 C GLU A 103 0.381 -2.468 7.115 1.00 0.00 C ATOM 1563 O GLU A 103 -0.296 -1.794 7.891 1.00 0.00 O ATOM 1564 CB GLU A 103 2.740 -2.625 7.935 1.00 0.00 C ATOM 1565 CG GLU A 103 3.120 -4.087 7.774 1.00 0.00 C ATOM 1566 CD GLU A 103 3.751 -4.668 9.024 1.00 0.00 C ATOM 1567 OE1 GLU A 103 3.284 -4.333 10.133 1.00 0.00 O ATOM 1568 OE2 GLU A 103 4.710 -5.457 8.894 1.00 0.00 O ATOM 0 H GLU A 103 2.558 -0.220 7.401 1.00 0.00 H new ATOM 0 HA GLU A 103 2.122 -2.566 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.648 -2.023 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.237 -2.492 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.231 -4.663 7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.815 -4.188 6.940 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.091 -3.542 6.489 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.458 -3.980 6.696 1.00 0.00 C ATOM 1577 C GLY A 104 -1.611 -5.483 6.569 1.00 0.00 C ATOM 1578 O GLY A 104 -2.043 -5.985 5.531 1.00 0.00 O ATOM 0 H GLY A 104 0.450 -4.116 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.791 -3.666 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.107 -3.489 5.971 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.255 -6.204 7.628 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.355 -7.659 7.630 1.00 0.00 C ATOM 1584 C VAL A 105 -2.811 -8.110 7.629 1.00 0.00 C ATOM 1585 O VAL A 105 -3.666 -7.485 8.257 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.641 -8.268 8.851 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -0.694 -9.787 8.798 1.00 0.00 C ATOM 1588 CG2 VAL A 105 0.798 -7.779 8.926 1.00 0.00 C ATOM 0 H VAL A 105 -0.895 -5.805 8.495 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.868 -8.011 6.720 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.159 -7.941 9.753 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.184 -10.199 9.669 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.733 -10.115 8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.202 -10.137 7.890 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.287 -8.219 9.795 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.330 -8.074 8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.809 -6.693 9.015 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.086 -9.200 6.920 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.439 -9.736 6.838 1.00 0.00 C ATOM 1600 C ILE A 106 -4.439 -11.253 6.986 1.00 0.00 C ATOM 1601 O ILE A 106 -3.493 -11.929 6.579 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.114 -9.361 5.505 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.582 -9.793 5.513 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.374 -10.001 4.339 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.473 -8.891 6.337 1.00 0.00 C ATOM 0 H ILE A 106 -2.390 -9.729 6.394 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.004 -9.293 7.658 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.074 -8.278 5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.951 -9.816 4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.651 -10.810 5.900 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.862 -9.727 3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.342 -9.650 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.387 -11.085 4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.499 -9.258 6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.129 -8.887 7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.434 -7.878 5.937 1.00 0.00 H new ATOM 1617 N THR A 107 -5.508 -11.786 7.571 1.00 0.00 N ATOM 1618 CA THR A 107 -5.632 -13.224 7.773 1.00 0.00 C ATOM 1619 C THR A 107 -6.869 -13.773 7.072 1.00 0.00 C ATOM 1620 O THR A 107 -7.995 -13.380 7.382 1.00 0.00 O ATOM 1621 CB THR A 107 -5.705 -13.577 9.270 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.476 -13.226 9.917 1.00 0.00 O ATOM 1623 CG2 THR A 107 -5.980 -15.061 9.464 1.00 0.00 C ATOM 0 H THR A 107 -6.300 -11.242 7.913 1.00 0.00 H new ATOM 0 HA THR A 107 -4.741 -13.681 7.343 1.00 0.00 H new ATOM 0 HB THR A 107 -6.524 -13.011 9.714 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.531 -13.452 10.869 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.027 -15.286 10.529 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.930 -15.319 8.996 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.180 -15.642 9.005 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.654 -14.682 6.127 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.754 -15.286 5.384 1.00 0.00 C ATOM 1633 C ILE A 108 -8.569 -16.220 6.272 1.00 0.00 C ATOM 1634 O ILE A 108 -8.102 -17.292 6.654 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.243 -16.072 4.163 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.371 -15.176 3.280 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.412 -16.633 3.367 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.125 -14.020 2.662 1.00 0.00 C ATOM 0 H ILE A 108 -5.729 -15.016 5.858 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.389 -14.470 5.040 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.635 -16.905 4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.546 -14.785 3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.932 -15.779 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.034 -17.186 2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.996 -17.301 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.044 -15.814 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.445 -13.428 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.933 -14.404 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.541 -13.394 3.451 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.791 -15.805 6.593 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.672 -16.606 7.435 1.00 0.00 C ATOM 1652 C GLU A 109 -11.794 -17.230 6.609 1.00 0.00 C ATOM 1653 O GLU A 109 -12.707 -16.537 6.161 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.264 -15.748 8.555 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.316 -15.535 9.723 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.704 -14.344 10.578 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -11.030 -13.284 10.005 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -10.680 -14.472 11.820 1.00 0.00 O ATOM 0 H GLU A 109 -10.193 -14.920 6.283 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.080 -17.408 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.548 -14.778 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.176 -16.220 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.300 -16.432 10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.304 -15.391 9.344 1.00 0.00 H new ATOM 1665 N SER A 110 -11.717 -18.542 6.413 1.00 0.00 N ATOM 1666 CA SER A 110 -12.724 -19.259 5.638 1.00 0.00 C ATOM 1667 C SER A 110 -13.299 -20.423 6.439 1.00 0.00 C ATOM 1668 O SER A 110 -14.512 -20.628 6.471 1.00 0.00 O ATOM 1669 CB SER A 110 -12.119 -19.774 4.331 1.00 0.00 C ATOM 1670 OG SER A 110 -11.170 -20.798 4.576 1.00 0.00 O ATOM 0 H SER A 110 -10.969 -19.130 6.780 1.00 0.00 H new ATOM 0 HA SER A 110 -13.533 -18.565 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.911 -20.155 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.642 -18.951 3.799 1.00 0.00 H new ATOM 0 HG SER A 110 -10.799 -21.111 3.725 1.00 0.00 H new ATOM 1676 N GLN A 111 -12.418 -21.181 7.085 1.00 0.00 N ATOM 1677 CA GLN A 111 -12.838 -22.325 7.886 1.00 0.00 C ATOM 1678 C GLN A 111 -12.943 -21.948 9.360 1.00 0.00 C ATOM 1679 O GLN A 111 -12.569 -22.725 10.238 1.00 0.00 O ATOM 1680 CB GLN A 111 -11.855 -23.484 7.712 1.00 0.00 C ATOM 1681 CG GLN A 111 -10.436 -23.147 8.142 1.00 0.00 C ATOM 1682 CD GLN A 111 -9.461 -24.277 7.874 1.00 0.00 C ATOM 1683 OE1 GLN A 111 -8.872 -24.361 6.796 1.00 0.00 O ATOM 1684 NE2 GLN A 111 -9.286 -25.154 8.855 1.00 0.00 N ATOM 0 H GLN A 111 -11.410 -21.024 7.069 1.00 0.00 H new ATOM 0 HA GLN A 111 -13.823 -22.638 7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -12.208 -24.339 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.846 -23.788 6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -10.103 -22.253 7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -10.429 -22.911 9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.795 -25.046 9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.643 -25.936 8.731 1.00 0.00 H new ATOM 1693 N VAL A 112 -13.455 -20.750 9.624 1.00 0.00 N ATOM 1694 CA VAL A 112 -13.610 -20.270 10.992 1.00 0.00 C ATOM 1695 C VAL A 112 -15.070 -20.321 11.430 1.00 0.00 C ATOM 1696 O VAL A 112 -15.972 -20.008 10.654 1.00 0.00 O ATOM 1697 CB VAL A 112 -13.090 -18.828 11.143 1.00 0.00 C ATOM 1698 CG1 VAL A 112 -13.317 -18.324 12.561 1.00 0.00 C ATOM 1699 CG2 VAL A 112 -11.618 -18.751 10.771 1.00 0.00 C ATOM 0 H VAL A 112 -13.769 -20.094 8.909 1.00 0.00 H new ATOM 0 HA VAL A 112 -13.020 -20.930 11.628 1.00 0.00 H new ATOM 0 HB VAL A 112 -13.648 -18.186 10.461 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -12.943 -17.304 12.649 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.383 -18.341 12.787 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -12.787 -18.966 13.265 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.267 -17.725 10.884 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.042 -19.405 11.426 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.487 -19.068 9.736 1.00 0.00 H new ATOM 1709 N SER A 113 -15.294 -20.717 12.679 1.00 0.00 N ATOM 1710 CA SER A 113 -16.644 -20.813 13.220 1.00 0.00 C ATOM 1711 C SER A 113 -16.719 -20.183 14.608 1.00 0.00 C ATOM 1712 O SER A 113 -16.102 -20.667 15.555 1.00 0.00 O ATOM 1713 CB SER A 113 -17.088 -22.275 13.286 1.00 0.00 C ATOM 1714 OG SER A 113 -18.375 -22.392 13.867 1.00 0.00 O ATOM 0 H SER A 113 -14.557 -20.977 13.335 1.00 0.00 H new ATOM 0 HA SER A 113 -17.314 -20.268 12.556 1.00 0.00 H new ATOM 0 HB2 SER A 113 -17.099 -22.701 12.283 1.00 0.00 H new ATOM 0 HB3 SER A 113 -16.369 -22.851 13.869 1.00 0.00 H new ATOM 0 HG SER A 113 -18.636 -23.336 13.896 1.00 0.00 H new ATOM 1720 N GLY A 114 -17.482 -19.100 14.719 1.00 0.00 N ATOM 1721 CA GLY A 114 -17.624 -18.421 15.994 1.00 0.00 C ATOM 1722 C GLY A 114 -18.197 -17.025 15.846 1.00 0.00 C ATOM 1723 O GLY A 114 -17.934 -16.323 14.870 1.00 0.00 O ATOM 0 H GLY A 114 -18.004 -18.681 13.949 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -18.271 -19.009 16.645 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -16.651 -18.361 16.481 1.00 0.00 H new ATOM 1727 N PRO A 115 -19.001 -16.604 16.833 1.00 0.00 N ATOM 1728 CA PRO A 115 -19.630 -15.280 16.832 1.00 0.00 C ATOM 1729 C PRO A 115 -18.620 -14.158 17.044 1.00 0.00 C ATOM 1730 O PRO A 115 -18.987 -12.985 17.120 1.00 0.00 O ATOM 1731 CB PRO A 115 -20.607 -15.350 18.008 1.00 0.00 C ATOM 1732 CG PRO A 115 -20.032 -16.380 18.917 1.00 0.00 C ATOM 1733 CD PRO A 115 -19.359 -17.388 18.028 1.00 0.00 C ATOM 0 HA PRO A 115 -20.106 -15.056 15.878 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -20.695 -14.385 18.508 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -21.607 -15.629 17.676 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -19.319 -15.934 19.611 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -20.811 -16.849 19.518 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -18.479 -17.819 18.504 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -20.025 -18.215 17.782 1.00 0.00 H new ATOM 1741 N SER A 116 -17.346 -14.525 17.139 1.00 0.00 N ATOM 1742 CA SER A 116 -16.283 -13.549 17.347 1.00 0.00 C ATOM 1743 C SER A 116 -16.598 -12.241 16.628 1.00 0.00 C ATOM 1744 O SER A 116 -17.098 -12.243 15.503 1.00 0.00 O ATOM 1745 CB SER A 116 -14.947 -14.106 16.852 1.00 0.00 C ATOM 1746 OG SER A 116 -15.029 -14.495 15.491 1.00 0.00 O ATOM 0 H SER A 116 -17.025 -15.491 17.075 1.00 0.00 H new ATOM 0 HA SER A 116 -16.212 -13.348 18.416 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.169 -13.353 16.972 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.658 -14.962 17.461 1.00 0.00 H new ATOM 0 HG SER A 116 -14.162 -14.846 15.198 1.00 0.00 H new ATOM 1752 N SER A 117 -16.304 -11.125 17.287 1.00 0.00 N ATOM 1753 CA SER A 117 -16.559 -9.808 16.714 1.00 0.00 C ATOM 1754 C SER A 117 -15.412 -8.850 17.021 1.00 0.00 C ATOM 1755 O SER A 117 -14.579 -9.119 17.885 1.00 0.00 O ATOM 1756 CB SER A 117 -17.872 -9.240 17.255 1.00 0.00 C ATOM 1757 OG SER A 117 -18.987 -9.824 16.604 1.00 0.00 O ATOM 0 H SER A 117 -15.889 -11.106 18.219 1.00 0.00 H new ATOM 0 HA SER A 117 -16.637 -9.918 15.632 1.00 0.00 H new ATOM 0 HB2 SER A 117 -17.936 -9.423 18.328 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.890 -8.159 17.114 1.00 0.00 H new ATOM 0 HG SER A 117 -18.987 -10.792 16.760 1.00 0.00 H new ATOM 1763 N GLY A 118 -15.377 -7.730 16.305 1.00 0.00 N ATOM 1764 CA GLY A 118 -14.329 -6.749 16.515 1.00 0.00 C ATOM 1765 C GLY A 118 -14.878 -5.354 16.741 1.00 0.00 C ATOM 1766 O GLY A 118 -15.919 -4.993 16.192 1.00 0.00 O ATOM 0 H GLY A 118 -16.055 -7.485 15.584 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.727 -7.043 17.375 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -13.666 -6.739 15.650 1.00 0.00 H new TER 1770 GLY A 118