USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1145 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 51 TYR OH : rot -156:sc= 0.399 USER MOD Set 1.2: A 53 HIS : no HE2:sc= -4.39! C(o=-4!,f=-5.3!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 17 GLN : amide:sc= 0.849 K(o=0.85,f=-5.4!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -153:sc= -0.3 (180deg=0.746) USER MOD Set 3.2: A 121 GLN : amide:sc= -1.77 K(o=-2.1,f=-9.4!) USER MOD Single : A 1 VAL N :NH3+ 173:sc= -0.109 (180deg=-0.185) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 160:sc= 0 USER MOD Single : A 11 SER OG : rot 134:sc= 0.709 USER MOD Single : A 18 GLN : amide:sc= -0.361 K(o=-0.36,f=-2.2) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.508 (180deg=-0.611) USER MOD Single : A 29 THR OG1 : rot 32:sc= 1.11 USER MOD Single : A 33 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.7!) USER MOD Single : A 34 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= -0.989 (180deg=-1.19!) USER MOD Single : A 39 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.14) USER MOD Single : A 40 MET CE :methyl -167:sc= -2.15 (180deg=-2.41!) USER MOD Single : A 43 MET CE :methyl 146:sc= -0.0966 (180deg=-1.26) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0387 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.21 K(o=1.2,f=-0.66) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= -0.577 (180deg=-0.586) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -31:sc= 0.618 USER MOD Single : A 78 SER OG : rot -5:sc= 1.03 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 140:sc= -1.22 USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 1.66 (180deg=-0.134) USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= -1.94! (180deg=-2.9!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -110:sc= -1.81 (180deg=-3.43!) USER MOD Single : A 113 MET CE :methyl -161:sc= -0.114 (180deg=-0.578) USER MOD Single : A 114 LYS NZ :NH3+ -160:sc= 0.589 (180deg=0.396) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.0749 USER MOD Single : A 124 THR OG1 : rot -86:sc= -0.367! USER MOD Single : A 129 LYS NZ :NH3+ 168:sc= -0.0262 (180deg=-0.261) USER MOD Single : A 132 CYS SG : rot -28:sc= -1.95! USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 139:sc= -0.0825 (180deg=-1.61) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 141 HIS : no HE2:sc= 0.866 K(o=0.87,f=-3.2!) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 145 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 117.561 4.445 -13.583 1.00 0.00 N ATOM 2 CA VAL A 1 118.290 4.278 -12.312 1.00 0.00 C ATOM 3 C VAL A 1 117.970 5.421 -11.353 1.00 0.00 C ATOM 4 O VAL A 1 118.529 6.517 -11.433 1.00 0.00 O ATOM 5 CB VAL A 1 119.819 4.151 -12.540 1.00 0.00 C ATOM 6 CG1 VAL A 1 120.357 5.308 -13.370 1.00 0.00 C ATOM 7 CG2 VAL A 1 120.558 4.046 -11.214 1.00 0.00 C ATOM 0 H1 VAL A 1 117.881 3.726 -14.264 1.00 0.00 H new ATOM 0 H2 VAL A 1 116.541 4.333 -13.415 1.00 0.00 H new ATOM 0 H3 VAL A 1 117.747 5.393 -13.968 1.00 0.00 H new ATOM 0 HA VAL A 1 117.954 3.346 -11.858 1.00 0.00 H new ATOM 0 HB VAL A 1 119.993 3.233 -13.102 1.00 0.00 H new ATOM 0 HG11 VAL A 1 121.431 5.187 -13.510 1.00 0.00 H new ATOM 0 HG12 VAL A 1 119.863 5.319 -14.342 1.00 0.00 H new ATOM 0 HG13 VAL A 1 120.162 6.248 -12.853 1.00 0.00 H new ATOM 0 HG21 VAL A 1 121.628 3.958 -11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 1 120.365 4.938 -10.618 1.00 0.00 H new ATOM 0 HG23 VAL A 1 120.210 3.166 -10.672 1.00 0.00 H new ATOM 19 N ALA A 2 117.019 5.166 -10.474 1.00 0.00 N ATOM 20 CA ALA A 2 116.632 6.125 -9.464 1.00 0.00 C ATOM 21 C ALA A 2 116.826 5.525 -8.079 1.00 0.00 C ATOM 22 O ALA A 2 117.350 4.415 -7.942 1.00 0.00 O ATOM 23 CB ALA A 2 115.186 6.555 -9.670 1.00 0.00 C ATOM 0 H ALA A 2 116.496 4.291 -10.442 1.00 0.00 H new ATOM 0 HA ALA A 2 117.264 7.009 -9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.908 7.277 -8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.079 7.012 -10.654 1.00 0.00 H new ATOM 0 HB3 ALA A 2 114.534 5.684 -9.602 1.00 0.00 H new ATOM 29 N TYR A 3 116.407 6.256 -7.065 1.00 0.00 N ATOM 30 CA TYR A 3 116.532 5.799 -5.694 1.00 0.00 C ATOM 31 C TYR A 3 115.149 5.634 -5.086 1.00 0.00 C ATOM 32 O TYR A 3 114.295 6.510 -5.217 1.00 0.00 O ATOM 33 CB TYR A 3 117.366 6.784 -4.878 1.00 0.00 C ATOM 34 CG TYR A 3 118.747 7.019 -5.447 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.672 5.985 -5.530 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.129 8.278 -5.893 1.00 0.00 C ATOM 37 CE1 TYR A 3 120.938 6.199 -6.043 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.391 8.499 -6.409 1.00 0.00 C ATOM 39 CZ TYR A 3 121.292 7.459 -6.481 1.00 0.00 C ATOM 40 OH TYR A 3 122.550 7.682 -6.993 1.00 0.00 O ATOM 0 H TYR A 3 115.974 7.174 -7.165 1.00 0.00 H new ATOM 0 HA TYR A 3 117.041 4.835 -5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 3 116.838 7.736 -4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.460 6.411 -3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.397 4.998 -5.188 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.428 9.097 -5.835 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.646 5.385 -6.101 1.00 0.00 H new ATOM 0 HE2 TYR A 3 120.671 9.483 -6.755 1.00 0.00 H new ATOM 0 HH TYR A 3 122.634 8.622 -7.256 1.00 0.00 H new ATOM 50 N TRP A 4 114.925 4.505 -4.439 1.00 0.00 N ATOM 51 CA TRP A 4 113.604 4.171 -3.935 1.00 0.00 C ATOM 52 C TRP A 4 113.668 3.763 -2.469 1.00 0.00 C ATOM 53 O TRP A 4 114.740 3.747 -1.863 1.00 0.00 O ATOM 54 CB TRP A 4 113.006 3.034 -4.770 1.00 0.00 C ATOM 55 CG TRP A 4 113.063 3.291 -6.245 1.00 0.00 C ATOM 56 CD1 TRP A 4 114.012 2.841 -7.120 1.00 0.00 C ATOM 57 CD2 TRP A 4 112.142 4.069 -7.015 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.735 3.294 -8.388 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.592 4.048 -8.349 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.980 4.780 -6.707 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.921 4.712 -9.370 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.315 5.438 -7.722 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.786 5.400 -9.039 1.00 0.00 C ATOM 0 H TRP A 4 115.640 3.803 -4.250 1.00 0.00 H new ATOM 0 HA TRP A 4 112.969 5.054 -4.015 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.539 2.110 -4.548 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.968 2.882 -4.474 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.855 2.221 -6.854 1.00 0.00 H new ATOM 0 HE1 TRP A 4 114.290 3.100 -9.222 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.609 4.814 -5.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 112.283 4.685 -10.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.416 5.992 -7.496 1.00 0.00 H new ATOM 0 HH2 TRP A 4 110.242 5.925 -9.810 1.00 0.00 H new ATOM 74 N LEU A 5 112.518 3.432 -1.907 1.00 0.00 N ATOM 75 CA LEU A 5 112.437 2.965 -0.534 1.00 0.00 C ATOM 76 C LEU A 5 111.229 2.052 -0.387 1.00 0.00 C ATOM 77 O LEU A 5 110.141 2.374 -0.869 1.00 0.00 O ATOM 78 CB LEU A 5 112.349 4.163 0.426 1.00 0.00 C ATOM 79 CG LEU A 5 112.466 3.842 1.922 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.990 5.052 2.676 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.119 3.422 2.496 1.00 0.00 C ATOM 0 H LEU A 5 111.619 3.479 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 5 113.334 2.400 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 5 113.136 4.870 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.398 4.668 0.257 1.00 0.00 H new ATOM 0 HG LEU A 5 113.165 3.013 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 5 113.069 4.814 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.973 5.323 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 5 112.304 5.889 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.229 3.200 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.400 4.231 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 5 110.762 2.534 1.975 1.00 0.00 H new ATOM 93 N VAL A 6 111.428 0.909 0.257 1.00 0.00 N ATOM 94 CA VAL A 6 110.351 -0.049 0.470 1.00 0.00 C ATOM 95 C VAL A 6 110.161 -0.321 1.958 1.00 0.00 C ATOM 96 O VAL A 6 111.127 -0.345 2.724 1.00 0.00 O ATOM 97 CB VAL A 6 110.611 -1.383 -0.269 1.00 0.00 C ATOM 98 CG1 VAL A 6 110.571 -1.180 -1.777 1.00 0.00 C ATOM 99 CG2 VAL A 6 111.944 -1.990 0.151 1.00 0.00 C ATOM 0 H VAL A 6 112.328 0.622 0.642 1.00 0.00 H new ATOM 0 HA VAL A 6 109.443 0.395 0.062 1.00 0.00 H new ATOM 0 HB VAL A 6 109.819 -2.079 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 6 110.756 -2.131 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 6 109.591 -0.802 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.337 -0.462 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.102 -2.927 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 6 112.751 -1.296 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 6 111.935 -2.182 1.224 1.00 0.00 H new ATOM 109 N LYS A 7 108.914 -0.503 2.371 1.00 0.00 N ATOM 110 CA LYS A 7 108.608 -0.771 3.767 1.00 0.00 C ATOM 111 C LYS A 7 108.156 -2.212 3.949 1.00 0.00 C ATOM 112 O LYS A 7 107.127 -2.626 3.412 1.00 0.00 O ATOM 113 CB LYS A 7 107.528 0.186 4.279 1.00 0.00 C ATOM 114 CG LYS A 7 107.944 1.645 4.241 1.00 0.00 C ATOM 115 CD LYS A 7 106.854 2.553 4.783 1.00 0.00 C ATOM 116 CE LYS A 7 107.287 4.009 4.747 1.00 0.00 C ATOM 117 NZ LYS A 7 107.617 4.452 3.367 1.00 0.00 N ATOM 0 H LYS A 7 108.099 -0.470 1.758 1.00 0.00 H new ATOM 0 HA LYS A 7 109.517 -0.613 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.627 0.058 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.271 -0.084 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 7 108.854 1.779 4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 7 108.179 1.930 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.945 2.426 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.614 2.267 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.491 4.635 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 7 108.156 4.146 5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 108.308 5.228 3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 108.022 3.656 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 106.753 4.782 2.892 1.00 0.00 H new ATOM 131 N SER A 8 108.936 -2.970 4.698 1.00 0.00 N ATOM 132 CA SER A 8 108.616 -4.359 4.975 1.00 0.00 C ATOM 133 C SER A 8 108.637 -4.606 6.473 1.00 0.00 C ATOM 134 O SER A 8 109.411 -3.985 7.196 1.00 0.00 O ATOM 135 CB SER A 8 109.620 -5.281 4.279 1.00 0.00 C ATOM 136 OG SER A 8 109.311 -6.645 4.502 1.00 0.00 O ATOM 0 H SER A 8 109.802 -2.644 5.128 1.00 0.00 H new ATOM 0 HA SER A 8 107.618 -4.574 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 8 109.621 -5.077 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 8 110.625 -5.070 4.645 1.00 0.00 H new ATOM 0 HG SER A 8 109.743 -7.195 3.816 1.00 0.00 H new ATOM 142 N GLU A 9 107.780 -5.493 6.944 1.00 0.00 N ATOM 143 CA GLU A 9 107.771 -5.851 8.351 1.00 0.00 C ATOM 144 C GLU A 9 108.607 -7.095 8.605 1.00 0.00 C ATOM 145 O GLU A 9 108.521 -8.076 7.862 1.00 0.00 O ATOM 146 CB GLU A 9 106.350 -6.085 8.857 1.00 0.00 C ATOM 147 CG GLU A 9 105.565 -4.809 9.071 1.00 0.00 C ATOM 148 CD GLU A 9 104.359 -5.024 9.958 1.00 0.00 C ATOM 149 OE1 GLU A 9 104.495 -5.718 10.990 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.278 -4.494 9.631 1.00 0.00 O ATOM 0 H GLU A 9 107.084 -5.977 6.377 1.00 0.00 H new ATOM 0 HA GLU A 9 108.205 -5.012 8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 9 105.818 -6.714 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.394 -6.636 9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 9 106.214 -4.056 9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 9 105.240 -4.418 8.107 1.00 0.00 H new ATOM 157 N PRO A 10 109.411 -7.074 9.682 1.00 0.00 N ATOM 158 CA PRO A 10 110.197 -8.234 10.110 1.00 0.00 C ATOM 159 C PRO A 10 109.292 -9.358 10.593 1.00 0.00 C ATOM 160 O PRO A 10 109.737 -10.482 10.824 1.00 0.00 O ATOM 161 CB PRO A 10 111.055 -7.704 11.268 1.00 0.00 C ATOM 162 CG PRO A 10 110.943 -6.218 11.201 1.00 0.00 C ATOM 163 CD PRO A 10 109.615 -5.922 10.569 1.00 0.00 C ATOM 0 HA PRO A 10 110.794 -8.649 9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 10 110.697 -8.081 12.226 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.092 -8.024 11.166 1.00 0.00 H new ATOM 0 HG2 PRO A 10 111.006 -5.778 12.196 1.00 0.00 H new ATOM 0 HG3 PRO A 10 111.756 -5.793 10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 10 108.823 -5.840 11.313 1.00 0.00 H new ATOM 0 HD3 PRO A 10 109.631 -4.983 10.015 1.00 0.00 H new ATOM 171 N SER A 11 108.017 -9.025 10.744 1.00 0.00 N ATOM 172 CA SER A 11 106.991 -9.984 11.107 1.00 0.00 C ATOM 173 C SER A 11 106.794 -10.998 9.980 1.00 0.00 C ATOM 174 O SER A 11 106.333 -12.115 10.206 1.00 0.00 O ATOM 175 CB SER A 11 105.682 -9.235 11.374 1.00 0.00 C ATOM 176 OG SER A 11 105.924 -8.018 12.069 1.00 0.00 O ATOM 0 H SER A 11 107.667 -8.075 10.617 1.00 0.00 H new ATOM 0 HA SER A 11 107.296 -10.522 12.005 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.180 -9.025 10.430 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.011 -9.865 11.959 1.00 0.00 H new ATOM 0 HG SER A 11 105.413 -7.294 11.649 1.00 0.00 H new ATOM 182 N VAL A 12 107.151 -10.592 8.765 1.00 0.00 N ATOM 183 CA VAL A 12 106.993 -11.440 7.593 1.00 0.00 C ATOM 184 C VAL A 12 108.342 -11.710 6.927 1.00 0.00 C ATOM 185 O VAL A 12 108.701 -12.860 6.672 1.00 0.00 O ATOM 186 CB VAL A 12 106.037 -10.798 6.559 1.00 0.00 C ATOM 187 CG1 VAL A 12 105.826 -11.719 5.366 1.00 0.00 C ATOM 188 CG2 VAL A 12 104.701 -10.444 7.202 1.00 0.00 C ATOM 0 H VAL A 12 107.554 -9.676 8.568 1.00 0.00 H new ATOM 0 HA VAL A 12 106.565 -12.382 7.935 1.00 0.00 H new ATOM 0 HB VAL A 12 106.501 -9.879 6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.150 -11.244 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 12 106.783 -11.914 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.393 -12.660 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.046 -9.994 6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 12 104.236 -11.348 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 12 104.865 -9.736 8.015 1.00 0.00 H new ATOM 198 N TRP A 13 109.091 -10.648 6.652 1.00 0.00 N ATOM 199 CA TRP A 13 110.363 -10.774 5.957 1.00 0.00 C ATOM 200 C TRP A 13 111.431 -9.921 6.638 1.00 0.00 C ATOM 201 O TRP A 13 111.210 -8.742 6.925 1.00 0.00 O ATOM 202 CB TRP A 13 110.195 -10.364 4.490 1.00 0.00 C ATOM 203 CG TRP A 13 111.348 -10.755 3.614 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.204 -9.917 2.962 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.767 -12.088 3.294 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.128 -10.646 2.253 1.00 0.00 N ATOM 207 CE2 TRP A 13 112.883 -11.979 2.444 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.309 -13.361 3.644 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.547 -13.095 1.941 1.00 0.00 C ATOM 210 CZ3 TRP A 13 111.968 -14.466 3.144 1.00 0.00 C ATOM 211 CH2 TRP A 13 113.077 -14.326 2.301 1.00 0.00 C ATOM 0 H TRP A 13 108.838 -9.692 6.900 1.00 0.00 H new ATOM 0 HA TRP A 13 110.687 -11.814 5.995 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.284 -10.817 4.098 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.062 -9.283 4.438 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.162 -8.838 2.998 1.00 0.00 H new ATOM 0 HE1 TRP A 13 113.875 -10.257 1.678 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.455 -13.478 4.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.402 -12.991 1.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.622 -15.455 3.407 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.572 -15.210 1.927 1.00 0.00 H new ATOM 222 N SER A 14 112.584 -10.512 6.902 1.00 0.00 N ATOM 223 CA SER A 14 113.646 -9.816 7.611 1.00 0.00 C ATOM 224 C SER A 14 114.817 -9.489 6.685 1.00 0.00 C ATOM 225 O SER A 14 114.831 -9.889 5.517 1.00 0.00 O ATOM 226 CB SER A 14 114.118 -10.654 8.798 1.00 0.00 C ATOM 227 OG SER A 14 114.541 -11.941 8.380 1.00 0.00 O ATOM 0 H SER A 14 112.809 -11.471 6.637 1.00 0.00 H new ATOM 0 HA SER A 14 113.245 -8.871 7.979 1.00 0.00 H new ATOM 0 HB2 SER A 14 114.939 -10.145 9.303 1.00 0.00 H new ATOM 0 HB3 SER A 14 113.309 -10.751 9.522 1.00 0.00 H new ATOM 0 HG SER A 14 114.839 -12.456 9.158 1.00 0.00 H new ATOM 233 N TRP A 15 115.794 -8.762 7.215 1.00 0.00 N ATOM 234 CA TRP A 15 116.961 -8.352 6.445 1.00 0.00 C ATOM 235 C TRP A 15 117.906 -9.532 6.245 1.00 0.00 C ATOM 236 O TRP A 15 118.465 -9.713 5.164 1.00 0.00 O ATOM 237 CB TRP A 15 117.665 -7.197 7.167 1.00 0.00 C ATOM 238 CG TRP A 15 118.934 -6.726 6.520 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.158 -6.631 7.117 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.113 -6.281 5.167 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.083 -6.148 6.227 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.470 -5.930 5.021 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.262 -6.146 4.064 1.00 0.00 C ATOM 244 CZ2 TRP A 15 120.991 -5.454 3.823 1.00 0.00 C ATOM 245 CZ3 TRP A 15 118.785 -5.673 2.874 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.137 -5.333 2.763 1.00 0.00 C ATOM 0 H TRP A 15 115.800 -8.442 8.184 1.00 0.00 H new ATOM 0 HA TRP A 15 116.646 -8.009 5.460 1.00 0.00 H new ATOM 0 HB2 TRP A 15 116.975 -6.356 7.234 1.00 0.00 H new ATOM 0 HB3 TRP A 15 117.889 -7.508 8.187 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.368 -6.898 8.142 1.00 0.00 H new ATOM 0 HE1 TRP A 15 122.068 -5.978 6.430 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.217 -6.406 4.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.034 -5.189 3.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.138 -5.564 2.016 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.514 -4.967 1.820 1.00 0.00 H new ATOM 257 N ASP A 16 118.050 -10.345 7.288 1.00 0.00 N ATOM 258 CA ASP A 16 118.900 -11.537 7.242 1.00 0.00 C ATOM 259 C ASP A 16 118.552 -12.424 6.052 1.00 0.00 C ATOM 260 O ASP A 16 119.432 -12.877 5.321 1.00 0.00 O ATOM 261 CB ASP A 16 118.751 -12.338 8.539 1.00 0.00 C ATOM 262 CG ASP A 16 119.356 -13.727 8.441 1.00 0.00 C ATOM 263 OD1 ASP A 16 120.583 -13.863 8.611 1.00 0.00 O ATOM 264 OD2 ASP A 16 118.602 -14.693 8.196 1.00 0.00 O ATOM 0 H ASP A 16 117.585 -10.200 8.184 1.00 0.00 H new ATOM 0 HA ASP A 16 119.932 -11.205 7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 16 119.229 -11.794 9.354 1.00 0.00 H new ATOM 0 HB3 ASP A 16 117.694 -12.423 8.789 1.00 0.00 H new ATOM 269 N GLN A 17 117.261 -12.644 5.860 1.00 0.00 N ATOM 270 CA GLN A 17 116.769 -13.507 4.797 1.00 0.00 C ATOM 271 C GLN A 17 117.081 -12.930 3.417 1.00 0.00 C ATOM 272 O GLN A 17 117.313 -13.668 2.460 1.00 0.00 O ATOM 273 CB GLN A 17 115.268 -13.711 4.970 1.00 0.00 C ATOM 274 CG GLN A 17 114.923 -14.539 6.198 1.00 0.00 C ATOM 275 CD GLN A 17 113.489 -14.360 6.651 1.00 0.00 C ATOM 276 OE1 GLN A 17 112.904 -13.287 6.492 1.00 0.00 O ATOM 277 NE2 GLN A 17 112.924 -15.400 7.241 1.00 0.00 N ATOM 0 H GLN A 17 116.526 -12.231 6.435 1.00 0.00 H new ATOM 0 HA GLN A 17 117.277 -14.469 4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 17 114.780 -12.739 5.044 1.00 0.00 H new ATOM 0 HB3 GLN A 17 114.868 -14.202 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 17 115.100 -15.592 5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 17 115.592 -14.265 7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 17 113.446 -16.269 7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 17 111.966 -15.333 7.586 1.00 0.00 H new ATOM 286 N GLN A 18 117.102 -11.608 3.317 1.00 0.00 N ATOM 287 CA GLN A 18 117.416 -10.955 2.056 1.00 0.00 C ATOM 288 C GLN A 18 118.918 -10.995 1.803 1.00 0.00 C ATOM 289 O GLN A 18 119.356 -11.133 0.664 1.00 0.00 O ATOM 290 CB GLN A 18 116.912 -9.508 2.057 1.00 0.00 C ATOM 291 CG GLN A 18 115.966 -9.188 0.911 1.00 0.00 C ATOM 292 CD GLN A 18 116.633 -9.212 -0.449 1.00 0.00 C ATOM 293 OE1 GLN A 18 117.156 -8.204 -0.909 1.00 0.00 O ATOM 294 NE2 GLN A 18 116.610 -10.363 -1.106 1.00 0.00 N ATOM 0 H GLN A 18 116.907 -10.971 4.089 1.00 0.00 H new ATOM 0 HA GLN A 18 116.911 -11.492 1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 18 116.404 -9.310 3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 18 117.768 -8.835 2.008 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.145 -9.905 0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 18 115.529 -8.203 1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 18 116.164 -11.180 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 18 117.038 -10.432 -2.029 1.00 0.00 H new ATOM 303 N VAL A 19 119.703 -10.884 2.872 1.00 0.00 N ATOM 304 CA VAL A 19 121.155 -11.015 2.774 1.00 0.00 C ATOM 305 C VAL A 19 121.519 -12.433 2.355 1.00 0.00 C ATOM 306 O VAL A 19 122.415 -12.644 1.534 1.00 0.00 O ATOM 307 CB VAL A 19 121.853 -10.680 4.112 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.362 -10.852 4.000 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.519 -9.265 4.551 1.00 0.00 C ATOM 0 H VAL A 19 119.359 -10.704 3.815 1.00 0.00 H new ATOM 0 HA VAL A 19 121.501 -10.303 2.025 1.00 0.00 H new ATOM 0 HB VAL A 19 121.483 -11.377 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 19 123.828 -10.610 4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.592 -11.884 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.748 -10.185 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 19 122.020 -9.049 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 19 121.856 -8.559 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.441 -9.170 4.682 1.00 0.00 H new ATOM 319 N ALA A 20 120.796 -13.396 2.912 1.00 0.00 N ATOM 320 CA ALA A 20 120.970 -14.798 2.563 1.00 0.00 C ATOM 321 C ALA A 20 120.629 -15.037 1.094 1.00 0.00 C ATOM 322 O ALA A 20 121.127 -15.975 0.472 1.00 0.00 O ATOM 323 CB ALA A 20 120.109 -15.671 3.462 1.00 0.00 C ATOM 0 H ALA A 20 120.076 -13.228 3.615 1.00 0.00 H new ATOM 0 HA ALA A 20 122.016 -15.066 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 20 120.247 -16.718 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 20 120.401 -15.522 4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 20 119.061 -15.399 3.337 1.00 0.00 H new ATOM 329 N LYS A 21 119.784 -14.176 0.544 1.00 0.00 N ATOM 330 CA LYS A 21 119.436 -14.240 -0.868 1.00 0.00 C ATOM 331 C LYS A 21 120.142 -13.138 -1.648 1.00 0.00 C ATOM 332 O LYS A 21 119.681 -12.733 -2.710 1.00 0.00 O ATOM 333 CB LYS A 21 117.922 -14.115 -1.067 1.00 0.00 C ATOM 334 CG LYS A 21 117.126 -15.259 -0.470 1.00 0.00 C ATOM 335 CD LYS A 21 115.876 -15.540 -1.287 1.00 0.00 C ATOM 336 CE LYS A 21 115.158 -16.794 -0.813 1.00 0.00 C ATOM 337 NZ LYS A 21 114.443 -16.584 0.469 1.00 0.00 N ATOM 0 H LYS A 21 119.326 -13.423 1.057 1.00 0.00 H new ATOM 0 HA LYS A 21 119.762 -15.210 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.583 -13.179 -0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.710 -14.056 -2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.746 -16.155 -0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 21 116.847 -15.016 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 21 115.200 -14.688 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 21 116.146 -15.651 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 21 114.447 -17.112 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 21 115.881 -17.601 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 114.114 -17.499 0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 115.087 -16.146 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 113.626 -15.960 0.313 1.00 0.00 H new ATOM 351 N GLY A 22 121.271 -12.675 -1.127 1.00 0.00 N ATOM 352 CA GLY A 22 121.992 -11.577 -1.748 1.00 0.00 C ATOM 353 C GLY A 22 122.457 -11.879 -3.163 1.00 0.00 C ATOM 354 O GLY A 22 122.573 -10.972 -3.986 1.00 0.00 O ATOM 0 H GLY A 22 121.704 -13.042 -0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 22 121.351 -10.696 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.858 -11.329 -1.135 1.00 0.00 H new ATOM 358 N ALA A 23 122.724 -13.146 -3.450 1.00 0.00 N ATOM 359 CA ALA A 23 123.204 -13.536 -4.772 1.00 0.00 C ATOM 360 C ALA A 23 122.066 -14.025 -5.664 1.00 0.00 C ATOM 361 O ALA A 23 122.254 -14.240 -6.862 1.00 0.00 O ATOM 362 CB ALA A 23 124.273 -14.612 -4.647 1.00 0.00 C ATOM 0 H ALA A 23 122.618 -13.918 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 23 123.636 -12.652 -5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.623 -14.894 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 23 125.109 -14.228 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.853 -15.486 -4.148 1.00 0.00 H new ATOM 368 N ALA A 24 120.886 -14.192 -5.084 1.00 0.00 N ATOM 369 CA ALA A 24 119.750 -14.741 -5.816 1.00 0.00 C ATOM 370 C ALA A 24 118.671 -13.689 -6.041 1.00 0.00 C ATOM 371 O ALA A 24 118.174 -13.523 -7.156 1.00 0.00 O ATOM 372 CB ALA A 24 119.175 -15.938 -5.073 1.00 0.00 C ATOM 0 H ALA A 24 120.689 -13.956 -4.111 1.00 0.00 H new ATOM 0 HA ALA A 24 120.106 -15.066 -6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 24 118.328 -16.339 -5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 24 119.941 -16.707 -4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 24 118.844 -15.627 -4.082 1.00 0.00 H new ATOM 378 N GLY A 25 118.324 -12.976 -4.980 1.00 0.00 N ATOM 379 CA GLY A 25 117.268 -11.994 -5.054 1.00 0.00 C ATOM 380 C GLY A 25 115.915 -12.584 -4.711 1.00 0.00 C ATOM 381 O GLY A 25 115.746 -13.806 -4.700 1.00 0.00 O ATOM 0 H GLY A 25 118.761 -13.063 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.489 -11.173 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 25 117.235 -11.573 -6.059 1.00 0.00 H new ATOM 385 N GLU A 26 114.961 -11.721 -4.409 1.00 0.00 N ATOM 386 CA GLU A 26 113.591 -12.146 -4.181 1.00 0.00 C ATOM 387 C GLU A 26 112.636 -11.061 -4.668 1.00 0.00 C ATOM 388 O GLU A 26 112.904 -9.866 -4.513 1.00 0.00 O ATOM 389 CB GLU A 26 113.349 -12.482 -2.702 1.00 0.00 C ATOM 390 CG GLU A 26 111.971 -13.073 -2.439 1.00 0.00 C ATOM 391 CD GLU A 26 111.896 -13.872 -1.153 1.00 0.00 C ATOM 392 OE1 GLU A 26 112.601 -14.900 -1.043 1.00 0.00 O ATOM 393 OE2 GLU A 26 111.118 -13.490 -0.255 1.00 0.00 O ATOM 0 H GLU A 26 115.111 -10.716 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 26 113.405 -13.059 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 26 114.110 -13.187 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 26 113.469 -11.577 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 26 111.239 -12.266 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 26 111.694 -13.716 -3.274 1.00 0.00 H new ATOM 400 N ALA A 27 111.526 -11.485 -5.260 1.00 0.00 N ATOM 401 CA ALA A 27 110.595 -10.563 -5.887 1.00 0.00 C ATOM 402 C ALA A 27 109.634 -9.954 -4.876 1.00 0.00 C ATOM 403 O ALA A 27 109.045 -10.655 -4.052 1.00 0.00 O ATOM 404 CB ALA A 27 109.816 -11.276 -6.985 1.00 0.00 C ATOM 0 H ALA A 27 111.251 -12.465 -5.318 1.00 0.00 H new ATOM 0 HA ALA A 27 111.176 -9.749 -6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 27 109.120 -10.577 -7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.509 -11.652 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 27 109.260 -12.109 -6.555 1.00 0.00 H new ATOM 410 N TRP A 28 109.480 -8.643 -4.960 1.00 0.00 N ATOM 411 CA TRP A 28 108.565 -7.910 -4.100 1.00 0.00 C ATOM 412 C TRP A 28 107.151 -8.015 -4.664 1.00 0.00 C ATOM 413 O TRP A 28 106.586 -7.038 -5.152 1.00 0.00 O ATOM 414 CB TRP A 28 109.003 -6.445 -4.018 1.00 0.00 C ATOM 415 CG TRP A 28 108.703 -5.793 -2.705 1.00 0.00 C ATOM 416 CD1 TRP A 28 107.653 -4.971 -2.408 1.00 0.00 C ATOM 417 CD2 TRP A 28 109.478 -5.904 -1.507 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.731 -4.564 -1.098 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.841 -5.126 -0.523 1.00 0.00 C ATOM 420 CE3 TRP A 28 110.651 -6.591 -1.169 1.00 0.00 C ATOM 421 CZ2 TRP A 28 109.338 -5.014 0.771 1.00 0.00 C ATOM 422 CZ3 TRP A 28 111.141 -6.478 0.116 1.00 0.00 C ATOM 423 CH2 TRP A 28 110.485 -5.696 1.072 1.00 0.00 C ATOM 0 H TRP A 28 109.985 -8.057 -5.625 1.00 0.00 H new ATOM 0 HA TRP A 28 108.578 -8.335 -3.096 1.00 0.00 H new ATOM 0 HB2 TRP A 28 110.075 -6.386 -4.205 1.00 0.00 H new ATOM 0 HB3 TRP A 28 108.510 -5.884 -4.812 1.00 0.00 H new ATOM 0 HD1 TRP A 28 106.876 -4.683 -3.101 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.070 -3.944 -0.629 1.00 0.00 H new ATOM 0 HE3 TRP A 28 111.163 -7.198 -1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 108.836 -4.410 1.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 112.046 -7.002 0.388 1.00 0.00 H new ATOM 0 HH2 TRP A 28 110.893 -5.629 2.070 1.00 0.00 H new ATOM 434 N THR A 29 106.606 -9.220 -4.620 1.00 0.00 N ATOM 435 CA THR A 29 105.326 -9.512 -5.243 1.00 0.00 C ATOM 436 C THR A 29 104.165 -9.271 -4.277 1.00 0.00 C ATOM 437 O THR A 29 104.310 -9.421 -3.062 1.00 0.00 O ATOM 438 CB THR A 29 105.301 -10.972 -5.763 1.00 0.00 C ATOM 439 OG1 THR A 29 104.024 -11.288 -6.333 1.00 0.00 O ATOM 440 CG2 THR A 29 105.624 -11.962 -4.650 1.00 0.00 C ATOM 0 H THR A 29 107.036 -10.019 -4.154 1.00 0.00 H new ATOM 0 HA THR A 29 105.203 -8.833 -6.087 1.00 0.00 H new ATOM 0 HB THR A 29 106.066 -11.055 -6.535 1.00 0.00 H new ATOM 0 HG1 THR A 29 103.640 -10.484 -6.742 1.00 0.00 H new ATOM 0 HG21 THR A 29 105.598 -12.977 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 29 106.617 -11.752 -4.254 1.00 0.00 H new ATOM 0 HG23 THR A 29 104.887 -11.866 -3.852 1.00 0.00 H new ATOM 448 N GLY A 30 103.017 -8.890 -4.830 1.00 0.00 N ATOM 449 CA GLY A 30 101.835 -8.667 -4.019 1.00 0.00 C ATOM 450 C GLY A 30 101.591 -7.200 -3.729 1.00 0.00 C ATOM 451 O GLY A 30 101.131 -6.842 -2.643 1.00 0.00 O ATOM 0 H GLY A 30 102.885 -8.732 -5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.966 -9.081 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.939 -9.207 -3.078 1.00 0.00 H new ATOM 455 N VAL A 31 101.887 -6.347 -4.695 1.00 0.00 N ATOM 456 CA VAL A 31 101.706 -4.915 -4.520 1.00 0.00 C ATOM 457 C VAL A 31 100.341 -4.457 -5.035 1.00 0.00 C ATOM 458 O VAL A 31 100.116 -4.332 -6.236 1.00 0.00 O ATOM 459 CB VAL A 31 102.837 -4.109 -5.201 1.00 0.00 C ATOM 460 CG1 VAL A 31 104.124 -4.246 -4.405 1.00 0.00 C ATOM 461 CG2 VAL A 31 103.057 -4.573 -6.636 1.00 0.00 C ATOM 0 H VAL A 31 102.253 -6.620 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 31 101.750 -4.719 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 31 102.539 -3.061 -5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.915 -3.675 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.970 -3.865 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.412 -5.296 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 31 103.858 -3.988 -7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 31 103.331 -5.628 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 31 102.139 -4.435 -7.208 1.00 0.00 H new ATOM 471 N ARG A 32 99.419 -4.228 -4.106 1.00 0.00 N ATOM 472 CA ARG A 32 98.073 -3.786 -4.458 1.00 0.00 C ATOM 473 C ARG A 32 97.983 -2.267 -4.546 1.00 0.00 C ATOM 474 O ARG A 32 97.057 -1.727 -5.152 1.00 0.00 O ATOM 475 CB ARG A 32 97.050 -4.312 -3.452 1.00 0.00 C ATOM 476 CG ARG A 32 96.598 -5.733 -3.736 1.00 0.00 C ATOM 477 CD ARG A 32 95.525 -6.184 -2.759 1.00 0.00 C ATOM 478 NE ARG A 32 94.713 -7.267 -3.309 1.00 0.00 N ATOM 479 CZ ARG A 32 93.559 -7.675 -2.788 1.00 0.00 C ATOM 480 NH1 ARG A 32 93.153 -7.212 -1.609 1.00 0.00 N ATOM 481 NH2 ARG A 32 92.837 -8.579 -3.433 1.00 0.00 N ATOM 0 H ARG A 32 99.578 -4.341 -3.105 1.00 0.00 H new ATOM 0 HA ARG A 32 97.847 -4.195 -5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 32 97.481 -4.269 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 32 96.180 -3.655 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 32 96.214 -5.797 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 32 97.453 -6.406 -3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 32 95.993 -6.515 -1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 32 94.883 -5.339 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 32 95.053 -7.741 -4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 32 93.727 -6.541 -1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 32 92.267 -7.528 -1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 32 93.167 -8.956 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 32 91.951 -8.898 -3.041 1.00 0.00 H new ATOM 495 N ASN A 33 98.940 -1.578 -3.939 1.00 0.00 N ATOM 496 CA ASN A 33 98.955 -0.120 -3.972 1.00 0.00 C ATOM 497 C ASN A 33 99.295 0.366 -5.372 1.00 0.00 C ATOM 498 O ASN A 33 100.372 0.085 -5.896 1.00 0.00 O ATOM 499 CB ASN A 33 99.943 0.454 -2.951 1.00 0.00 C ATOM 500 CG ASN A 33 99.478 0.272 -1.517 1.00 0.00 C ATOM 501 OD1 ASN A 33 98.831 -0.717 -1.179 1.00 0.00 O ATOM 502 ND2 ASN A 33 99.791 1.240 -0.666 1.00 0.00 N ATOM 0 H ASN A 33 99.711 -2.000 -3.421 1.00 0.00 H new ATOM 0 HA ASN A 33 97.960 0.234 -3.703 1.00 0.00 H new ATOM 0 HB2 ASN A 33 100.912 -0.029 -3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 33 100.088 1.516 -3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 33 99.493 1.179 0.308 1.00 0.00 H new ATOM 0 HD22 ASN A 33 100.330 2.045 -0.985 1.00 0.00 H new ATOM 509 N HIS A 34 98.373 1.107 -5.965 1.00 0.00 N ATOM 510 CA HIS A 34 98.488 1.511 -7.362 1.00 0.00 C ATOM 511 C HIS A 34 99.561 2.582 -7.524 1.00 0.00 C ATOM 512 O HIS A 34 100.270 2.614 -8.528 1.00 0.00 O ATOM 513 CB HIS A 34 97.140 2.018 -7.889 1.00 0.00 C ATOM 514 CG HIS A 34 96.023 1.030 -7.714 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.616 0.156 -8.700 1.00 0.00 N ATOM 516 CD2 HIS A 34 95.237 0.772 -6.643 1.00 0.00 C ATOM 517 CE1 HIS A 34 94.631 -0.594 -8.240 1.00 0.00 C ATOM 518 NE2 HIS A 34 94.383 -0.241 -6.995 1.00 0.00 N ATOM 0 H HIS A 34 97.530 1.444 -5.499 1.00 0.00 H new ATOM 0 HA HIS A 34 98.781 0.639 -7.947 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.881 2.943 -7.374 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.239 2.260 -8.947 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.275 1.272 -5.687 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.116 -1.366 -8.791 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.672 -0.654 -6.392 1.00 0.00 H new ATOM 527 N SER A 35 99.684 3.444 -6.522 1.00 0.00 N ATOM 528 CA SER A 35 100.725 4.462 -6.513 1.00 0.00 C ATOM 529 C SER A 35 102.099 3.803 -6.406 1.00 0.00 C ATOM 530 O SER A 35 103.074 4.252 -7.019 1.00 0.00 O ATOM 531 CB SER A 35 100.499 5.426 -5.347 1.00 0.00 C ATOM 532 OG SER A 35 99.174 5.933 -5.364 1.00 0.00 O ATOM 0 H SER A 35 99.074 3.458 -5.704 1.00 0.00 H new ATOM 0 HA SER A 35 100.684 5.026 -7.445 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.685 4.913 -4.403 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.210 6.250 -5.407 1.00 0.00 H new ATOM 0 HG SER A 35 99.049 6.546 -4.610 1.00 0.00 H new ATOM 538 N ALA A 36 102.161 2.719 -5.638 1.00 0.00 N ATOM 539 CA ALA A 36 103.386 1.949 -5.502 1.00 0.00 C ATOM 540 C ALA A 36 103.723 1.280 -6.826 1.00 0.00 C ATOM 541 O ALA A 36 104.832 1.424 -7.332 1.00 0.00 O ATOM 542 CB ALA A 36 103.248 0.912 -4.398 1.00 0.00 C ATOM 0 H ALA A 36 101.374 2.356 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 36 104.198 2.624 -5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.176 0.346 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.040 1.413 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.430 0.233 -4.637 1.00 0.00 H new ATOM 548 N LYS A 37 102.736 0.579 -7.386 1.00 0.00 N ATOM 549 CA LYS A 37 102.869 -0.074 -8.687 1.00 0.00 C ATOM 550 C LYS A 37 103.422 0.891 -9.735 1.00 0.00 C ATOM 551 O LYS A 37 104.346 0.555 -10.473 1.00 0.00 O ATOM 552 CB LYS A 37 101.502 -0.616 -9.131 1.00 0.00 C ATOM 553 CG LYS A 37 101.452 -1.086 -10.579 1.00 0.00 C ATOM 554 CD LYS A 37 100.037 -1.474 -10.985 1.00 0.00 C ATOM 555 CE LYS A 37 99.866 -1.478 -12.497 1.00 0.00 C ATOM 556 NZ LYS A 37 100.697 -2.519 -13.157 1.00 0.00 N ATOM 0 H LYS A 37 101.823 0.449 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 37 103.574 -0.900 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.226 -1.447 -8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.752 0.162 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 37 101.816 -0.294 -11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.117 -1.939 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 37 99.803 -2.463 -10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.327 -0.777 -10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.817 -1.645 -12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 37 100.133 -0.498 -12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 100.379 -2.646 -14.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 101.694 -2.222 -13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 100.601 -3.418 -12.643 1.00 0.00 H new ATOM 570 N LEU A 38 102.859 2.096 -9.774 1.00 0.00 N ATOM 571 CA LEU A 38 103.275 3.122 -10.727 1.00 0.00 C ATOM 572 C LEU A 38 104.767 3.422 -10.589 1.00 0.00 C ATOM 573 O LEU A 38 105.499 3.434 -11.578 1.00 0.00 O ATOM 574 CB LEU A 38 102.437 4.395 -10.509 1.00 0.00 C ATOM 575 CG LEU A 38 102.591 5.506 -11.559 1.00 0.00 C ATOM 576 CD1 LEU A 38 101.358 6.397 -11.559 1.00 0.00 C ATOM 577 CD2 LEU A 38 103.832 6.350 -11.292 1.00 0.00 C ATOM 0 H LEU A 38 102.106 2.388 -9.150 1.00 0.00 H new ATOM 0 HA LEU A 38 103.106 2.755 -11.739 1.00 0.00 H new ATOM 0 HB2 LEU A 38 101.386 4.109 -10.467 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.693 4.809 -9.534 1.00 0.00 H new ATOM 0 HG LEU A 38 102.701 5.033 -12.535 1.00 0.00 H new ATOM 0 HD11 LEU A 38 101.476 7.182 -12.306 1.00 0.00 H new ATOM 0 HD12 LEU A 38 100.478 5.800 -11.796 1.00 0.00 H new ATOM 0 HD13 LEU A 38 101.236 6.849 -10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 38 103.914 7.127 -12.052 1.00 0.00 H new ATOM 0 HD22 LEU A 38 103.753 6.811 -10.308 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.718 5.716 -11.326 1.00 0.00 H new ATOM 589 N HIS A 39 105.224 3.643 -9.364 1.00 0.00 N ATOM 590 CA HIS A 39 106.627 3.983 -9.137 1.00 0.00 C ATOM 591 C HIS A 39 107.523 2.753 -9.260 1.00 0.00 C ATOM 592 O HIS A 39 108.734 2.876 -9.423 1.00 0.00 O ATOM 593 CB HIS A 39 106.820 4.655 -7.774 1.00 0.00 C ATOM 594 CG HIS A 39 106.278 6.054 -7.707 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.881 7.129 -8.326 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.176 6.550 -7.097 1.00 0.00 C ATOM 597 CE1 HIS A 39 106.178 8.221 -8.094 1.00 0.00 C ATOM 598 NE2 HIS A 39 105.137 7.898 -7.353 1.00 0.00 N ATOM 0 H HIS A 39 104.654 3.595 -8.520 1.00 0.00 H new ATOM 0 HA HIS A 39 106.920 4.693 -9.911 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.334 4.050 -7.009 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.884 4.675 -7.537 1.00 0.00 H new ATOM 0 HD2 HIS A 39 104.459 5.988 -6.516 1.00 0.00 H new ATOM 0 HE1 HIS A 39 106.415 9.212 -8.451 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.420 8.544 -7.024 1.00 0.00 H new ATOM 607 N MET A 40 106.926 1.571 -9.194 1.00 0.00 N ATOM 608 CA MET A 40 107.670 0.329 -9.367 1.00 0.00 C ATOM 609 C MET A 40 107.908 0.043 -10.845 1.00 0.00 C ATOM 610 O MET A 40 108.866 -0.634 -11.205 1.00 0.00 O ATOM 611 CB MET A 40 106.938 -0.840 -8.705 1.00 0.00 C ATOM 612 CG MET A 40 106.962 -0.780 -7.187 1.00 0.00 C ATOM 613 SD MET A 40 105.992 -2.088 -6.414 1.00 0.00 S ATOM 614 CE MET A 40 106.838 -3.546 -7.019 1.00 0.00 C ATOM 0 H MET A 40 105.929 1.445 -9.022 1.00 0.00 H new ATOM 0 HA MET A 40 108.638 0.445 -8.880 1.00 0.00 H new ATOM 0 HB2 MET A 40 105.903 -0.851 -9.045 1.00 0.00 H new ATOM 0 HB3 MET A 40 107.391 -1.776 -9.032 1.00 0.00 H new ATOM 0 HG2 MET A 40 107.994 -0.849 -6.843 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.581 0.188 -6.861 1.00 0.00 H new ATOM 0 HE1 MET A 40 106.229 -4.428 -6.822 1.00 0.00 H new ATOM 0 HE2 MET A 40 107.004 -3.451 -8.092 1.00 0.00 H new ATOM 0 HE3 MET A 40 107.797 -3.647 -6.511 1.00 0.00 H new ATOM 624 N VAL A 41 107.038 0.570 -11.699 1.00 0.00 N ATOM 625 CA VAL A 41 107.233 0.471 -13.142 1.00 0.00 C ATOM 626 C VAL A 41 108.433 1.322 -13.557 1.00 0.00 C ATOM 627 O VAL A 41 109.128 1.024 -14.532 1.00 0.00 O ATOM 628 CB VAL A 41 105.974 0.925 -13.922 1.00 0.00 C ATOM 629 CG1 VAL A 41 106.196 0.827 -15.425 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.764 0.099 -13.515 1.00 0.00 C ATOM 0 H VAL A 41 106.193 1.069 -11.419 1.00 0.00 H new ATOM 0 HA VAL A 41 107.417 -0.575 -13.386 1.00 0.00 H new ATOM 0 HB VAL A 41 105.785 1.969 -13.672 1.00 0.00 H new ATOM 0 HG11 VAL A 41 105.296 1.152 -15.948 1.00 0.00 H new ATOM 0 HG12 VAL A 41 107.032 1.465 -15.712 1.00 0.00 H new ATOM 0 HG13 VAL A 41 106.419 -0.206 -15.693 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.890 0.434 -14.074 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.952 -0.953 -13.731 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.581 0.223 -12.448 1.00 0.00 H new ATOM 640 N ALA A 42 108.681 2.373 -12.785 1.00 0.00 N ATOM 641 CA ALA A 42 109.808 3.263 -13.032 1.00 0.00 C ATOM 642 C ALA A 42 111.120 2.642 -12.556 1.00 0.00 C ATOM 643 O ALA A 42 112.206 3.146 -12.859 1.00 0.00 O ATOM 644 CB ALA A 42 109.579 4.603 -12.351 1.00 0.00 C ATOM 0 H ALA A 42 108.113 2.631 -11.978 1.00 0.00 H new ATOM 0 HA ALA A 42 109.883 3.421 -14.108 1.00 0.00 H new ATOM 0 HB1 ALA A 42 110.428 5.259 -12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 42 108.671 5.060 -12.744 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.473 4.452 -11.277 1.00 0.00 H new ATOM 650 N MET A 43 111.010 1.554 -11.802 1.00 0.00 N ATOM 651 CA MET A 43 112.183 0.836 -11.314 1.00 0.00 C ATOM 652 C MET A 43 112.778 -0.019 -12.424 1.00 0.00 C ATOM 653 O MET A 43 112.113 -0.903 -12.967 1.00 0.00 O ATOM 654 CB MET A 43 111.821 -0.056 -10.124 1.00 0.00 C ATOM 655 CG MET A 43 111.348 0.704 -8.898 1.00 0.00 C ATOM 656 SD MET A 43 110.870 -0.397 -7.553 1.00 0.00 S ATOM 657 CE MET A 43 110.413 0.786 -6.290 1.00 0.00 C ATOM 0 H MET A 43 110.119 1.149 -11.515 1.00 0.00 H new ATOM 0 HA MET A 43 112.917 1.574 -10.990 1.00 0.00 H new ATOM 0 HB2 MET A 43 111.040 -0.752 -10.430 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.692 -0.653 -9.854 1.00 0.00 H new ATOM 0 HG2 MET A 43 112.142 1.368 -8.556 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.500 1.333 -9.168 1.00 0.00 H new ATOM 0 HE1 MET A 43 109.591 0.385 -5.696 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.269 0.976 -5.643 1.00 0.00 H new ATOM 0 HE3 MET A 43 110.100 1.718 -6.761 1.00 0.00 H new ATOM 667 N ARG A 44 114.026 0.253 -12.767 1.00 0.00 N ATOM 668 CA ARG A 44 114.711 -0.511 -13.792 1.00 0.00 C ATOM 669 C ARG A 44 115.928 -1.202 -13.194 1.00 0.00 C ATOM 670 O ARG A 44 116.150 -1.161 -11.986 1.00 0.00 O ATOM 671 CB ARG A 44 115.163 0.393 -14.942 1.00 0.00 C ATOM 672 CG ARG A 44 114.118 1.392 -15.407 1.00 0.00 C ATOM 673 CD ARG A 44 114.619 2.196 -16.597 1.00 0.00 C ATOM 674 NE ARG A 44 115.982 2.702 -16.396 1.00 0.00 N ATOM 675 CZ ARG A 44 116.418 3.876 -16.854 1.00 0.00 C ATOM 676 NH1 ARG A 44 115.576 4.715 -17.441 1.00 0.00 N ATOM 677 NH2 ARG A 44 117.697 4.213 -16.713 1.00 0.00 N ATOM 0 H ARG A 44 114.584 0.998 -12.350 1.00 0.00 H new ATOM 0 HA ARG A 44 114.014 -1.253 -14.182 1.00 0.00 H new ATOM 0 HB2 ARG A 44 116.054 0.938 -14.630 1.00 0.00 H new ATOM 0 HB3 ARG A 44 115.451 -0.232 -15.787 1.00 0.00 H new ATOM 0 HG2 ARG A 44 113.203 0.866 -15.679 1.00 0.00 H new ATOM 0 HG3 ARG A 44 113.866 2.067 -14.589 1.00 0.00 H new ATOM 0 HD2 ARG A 44 114.594 1.572 -17.490 1.00 0.00 H new ATOM 0 HD3 ARG A 44 113.946 3.034 -16.775 1.00 0.00 H new ATOM 0 HE ARG A 44 116.636 2.119 -15.874 1.00 0.00 H new ATOM 0 HH11 ARG A 44 114.593 4.463 -17.543 1.00 0.00 H new ATOM 0 HH12 ARG A 44 115.911 5.613 -17.791 1.00 0.00 H new ATOM 0 HH21 ARG A 44 118.345 3.573 -16.254 1.00 0.00 H new ATOM 0 HH22 ARG A 44 118.029 5.111 -17.064 1.00 0.00 H new ATOM 691 N ARG A 45 116.722 -1.821 -14.047 1.00 0.00 N ATOM 692 CA ARG A 45 117.936 -2.498 -13.621 1.00 0.00 C ATOM 693 C ARG A 45 118.954 -1.484 -13.101 1.00 0.00 C ATOM 694 O ARG A 45 119.291 -0.526 -13.799 1.00 0.00 O ATOM 695 CB ARG A 45 118.520 -3.267 -14.802 1.00 0.00 C ATOM 696 CG ARG A 45 119.703 -4.149 -14.445 1.00 0.00 C ATOM 697 CD ARG A 45 119.253 -5.419 -13.749 1.00 0.00 C ATOM 698 NE ARG A 45 118.309 -6.175 -14.570 1.00 0.00 N ATOM 699 CZ ARG A 45 118.641 -7.230 -15.315 1.00 0.00 C ATOM 700 NH1 ARG A 45 119.891 -7.685 -15.312 1.00 0.00 N ATOM 701 NH2 ARG A 45 117.717 -7.837 -16.046 1.00 0.00 N ATOM 0 H ARG A 45 116.546 -1.870 -15.051 1.00 0.00 H new ATOM 0 HA ARG A 45 117.699 -3.192 -12.814 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.738 -3.887 -15.240 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.829 -2.555 -15.568 1.00 0.00 H new ATOM 0 HG2 ARG A 45 120.256 -4.404 -15.349 1.00 0.00 H new ATOM 0 HG3 ARG A 45 120.387 -3.600 -13.798 1.00 0.00 H new ATOM 0 HD2 ARG A 45 120.121 -6.040 -13.526 1.00 0.00 H new ATOM 0 HD3 ARG A 45 118.788 -5.167 -12.796 1.00 0.00 H new ATOM 0 HE ARG A 45 117.334 -5.876 -14.573 1.00 0.00 H new ATOM 0 HH11 ARG A 45 120.599 -7.227 -14.739 1.00 0.00 H new ATOM 0 HH12 ARG A 45 120.141 -8.492 -15.883 1.00 0.00 H new ATOM 0 HH21 ARG A 45 116.755 -7.497 -16.038 1.00 0.00 H new ATOM 0 HH22 ARG A 45 117.968 -8.644 -16.617 1.00 0.00 H new ATOM 715 N GLY A 46 119.430 -1.682 -11.875 1.00 0.00 N ATOM 716 CA GLY A 46 120.409 -0.770 -11.315 1.00 0.00 C ATOM 717 C GLY A 46 119.788 0.213 -10.348 1.00 0.00 C ATOM 718 O GLY A 46 120.496 0.898 -9.607 1.00 0.00 O ATOM 0 H GLY A 46 119.157 -2.452 -11.264 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.183 -1.341 -10.803 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.897 -0.224 -12.122 1.00 0.00 H new ATOM 722 N ASP A 47 118.462 0.297 -10.367 1.00 0.00 N ATOM 723 CA ASP A 47 117.736 1.129 -9.417 1.00 0.00 C ATOM 724 C ASP A 47 117.910 0.568 -8.018 1.00 0.00 C ATOM 725 O ASP A 47 117.863 -0.647 -7.822 1.00 0.00 O ATOM 726 CB ASP A 47 116.250 1.199 -9.774 1.00 0.00 C ATOM 727 CG ASP A 47 115.969 2.118 -10.943 1.00 0.00 C ATOM 728 OD1 ASP A 47 116.417 1.824 -12.070 1.00 0.00 O ATOM 729 OD2 ASP A 47 115.286 3.141 -10.744 1.00 0.00 O ATOM 0 H ASP A 47 117.869 -0.201 -11.030 1.00 0.00 H new ATOM 0 HA ASP A 47 118.141 2.140 -9.458 1.00 0.00 H new ATOM 0 HB2 ASP A 47 115.891 0.198 -10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 47 115.688 1.542 -8.905 1.00 0.00 H new ATOM 734 N ARG A 48 118.124 1.439 -7.047 1.00 0.00 N ATOM 735 CA ARG A 48 118.420 0.989 -5.701 1.00 0.00 C ATOM 736 C ARG A 48 117.469 1.602 -4.691 1.00 0.00 C ATOM 737 O ARG A 48 117.112 2.775 -4.781 1.00 0.00 O ATOM 738 CB ARG A 48 119.879 1.291 -5.350 1.00 0.00 C ATOM 739 CG ARG A 48 120.848 0.480 -6.191 1.00 0.00 C ATOM 740 CD ARG A 48 122.297 0.724 -5.818 1.00 0.00 C ATOM 741 NE ARG A 48 123.174 -0.214 -6.515 1.00 0.00 N ATOM 742 CZ ARG A 48 124.097 -0.969 -5.920 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.308 -0.871 -4.615 1.00 0.00 N ATOM 744 NH2 ARG A 48 124.802 -1.832 -6.637 1.00 0.00 N ATOM 0 H ARG A 48 118.099 2.452 -7.165 1.00 0.00 H new ATOM 0 HA ARG A 48 118.276 -0.091 -5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 48 120.074 2.353 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 48 120.049 1.078 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.622 -0.580 -6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.702 0.725 -7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.576 1.747 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.424 0.616 -4.741 1.00 0.00 H new ATOM 0 HE ARG A 48 123.073 -0.297 -7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 48 123.762 -0.214 -4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 48 125.016 -1.453 -4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.637 -1.916 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 48 125.510 -2.412 -6.186 1.00 0.00 H new ATOM 758 N ALA A 49 117.058 0.789 -3.735 1.00 0.00 N ATOM 759 CA ALA A 49 116.076 1.197 -2.752 1.00 0.00 C ATOM 760 C ALA A 49 116.588 0.964 -1.339 1.00 0.00 C ATOM 761 O ALA A 49 117.488 0.149 -1.121 1.00 0.00 O ATOM 762 CB ALA A 49 114.775 0.436 -2.970 1.00 0.00 C ATOM 0 H ALA A 49 117.394 -0.167 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 49 115.893 2.264 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 49 114.042 0.749 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.393 0.648 -3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 49 114.958 -0.634 -2.871 1.00 0.00 H new ATOM 768 N PHE A 50 116.008 1.677 -0.386 1.00 0.00 N ATOM 769 CA PHE A 50 116.337 1.487 1.016 1.00 0.00 C ATOM 770 C PHE A 50 115.425 0.434 1.623 1.00 0.00 C ATOM 771 O PHE A 50 114.202 0.488 1.463 1.00 0.00 O ATOM 772 CB PHE A 50 116.192 2.791 1.806 1.00 0.00 C ATOM 773 CG PHE A 50 117.356 3.732 1.681 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.657 3.270 1.804 1.00 0.00 C ATOM 775 CD2 PHE A 50 117.145 5.086 1.473 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.727 4.140 1.716 1.00 0.00 C ATOM 777 CE2 PHE A 50 118.210 5.960 1.380 1.00 0.00 C ATOM 778 CZ PHE A 50 119.503 5.487 1.503 1.00 0.00 C ATOM 0 H PHE A 50 115.305 2.395 -0.560 1.00 0.00 H new ATOM 0 HA PHE A 50 117.376 1.161 1.072 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.290 3.304 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 50 116.050 2.548 2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.836 2.218 1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 50 116.136 5.462 1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.736 3.768 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 50 118.033 7.012 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.337 6.169 1.433 1.00 0.00 H new ATOM 788 N TYR A 51 116.025 -0.528 2.301 1.00 0.00 N ATOM 789 CA TYR A 51 115.267 -1.566 2.971 1.00 0.00 C ATOM 790 C TYR A 51 114.864 -1.084 4.360 1.00 0.00 C ATOM 791 O TYR A 51 115.655 -1.137 5.308 1.00 0.00 O ATOM 792 CB TYR A 51 116.091 -2.855 3.055 1.00 0.00 C ATOM 793 CG TYR A 51 115.307 -4.053 3.546 1.00 0.00 C ATOM 794 CD1 TYR A 51 114.594 -4.854 2.662 1.00 0.00 C ATOM 795 CD2 TYR A 51 115.283 -4.382 4.892 1.00 0.00 C ATOM 796 CE1 TYR A 51 113.878 -5.948 3.112 1.00 0.00 C ATOM 797 CE2 TYR A 51 114.573 -5.469 5.348 1.00 0.00 C ATOM 798 CZ TYR A 51 113.872 -6.251 4.457 1.00 0.00 C ATOM 799 OH TYR A 51 113.162 -7.336 4.918 1.00 0.00 O ATOM 0 H TYR A 51 117.037 -0.611 2.401 1.00 0.00 H new ATOM 0 HA TYR A 51 114.364 -1.783 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.499 -3.079 2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 51 116.939 -2.690 3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 51 114.599 -4.619 1.608 1.00 0.00 H new ATOM 0 HD2 TYR A 51 115.832 -3.774 5.596 1.00 0.00 H new ATOM 0 HE1 TYR A 51 113.327 -6.561 2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 51 114.565 -5.708 6.401 1.00 0.00 H new ATOM 0 HH TYR A 51 112.935 -7.201 5.862 1.00 0.00 H new ATOM 809 N TYR A 52 113.642 -0.585 4.458 1.00 0.00 N ATOM 810 CA TYR A 52 113.131 -0.015 5.694 1.00 0.00 C ATOM 811 C TYR A 52 112.119 -0.957 6.332 1.00 0.00 C ATOM 812 O TYR A 52 111.181 -1.418 5.676 1.00 0.00 O ATOM 813 CB TYR A 52 112.496 1.348 5.390 1.00 0.00 C ATOM 814 CG TYR A 52 111.870 2.061 6.576 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.632 2.877 7.403 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.512 1.936 6.852 1.00 0.00 C ATOM 817 CE1 TYR A 52 112.059 3.551 8.465 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.935 2.603 7.916 1.00 0.00 C ATOM 819 CZ TYR A 52 110.714 3.408 8.719 1.00 0.00 C ATOM 820 OH TYR A 52 110.143 4.087 9.772 1.00 0.00 O ATOM 0 H TYR A 52 112.978 -0.564 3.684 1.00 0.00 H new ATOM 0 HA TYR A 52 113.949 0.122 6.402 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.260 1.997 4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.730 1.210 4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.689 2.986 7.213 1.00 0.00 H new ATOM 0 HD2 TYR A 52 109.898 1.307 6.224 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.665 4.188 9.093 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.880 2.494 8.117 1.00 0.00 H new ATOM 0 HH TYR A 52 109.186 3.879 9.815 1.00 0.00 H new ATOM 830 N HIS A 53 112.320 -1.261 7.604 1.00 0.00 N ATOM 831 CA HIS A 53 111.400 -2.125 8.326 1.00 0.00 C ATOM 832 C HIS A 53 110.281 -1.315 8.955 1.00 0.00 C ATOM 833 O HIS A 53 110.527 -0.406 9.737 1.00 0.00 O ATOM 834 CB HIS A 53 112.130 -2.953 9.388 1.00 0.00 C ATOM 835 CG HIS A 53 112.580 -4.289 8.876 1.00 0.00 C ATOM 836 ND1 HIS A 53 113.637 -4.997 9.408 1.00 0.00 N ATOM 837 CD2 HIS A 53 112.077 -5.062 7.884 1.00 0.00 C ATOM 838 CE1 HIS A 53 113.763 -6.144 8.764 1.00 0.00 C ATOM 839 NE2 HIS A 53 112.827 -6.206 7.836 1.00 0.00 N ATOM 0 H HIS A 53 113.109 -0.924 8.156 1.00 0.00 H new ATOM 0 HA HIS A 53 110.962 -2.817 7.606 1.00 0.00 H new ATOM 0 HB2 HIS A 53 112.996 -2.395 9.745 1.00 0.00 H new ATOM 0 HB3 HIS A 53 111.471 -3.100 10.244 1.00 0.00 H new ATOM 0 HD1 HIS A 53 114.229 -4.684 10.178 1.00 0.00 H new ATOM 0 HD2 HIS A 53 111.238 -4.820 7.248 1.00 0.00 H new ATOM 0 HE1 HIS A 53 114.506 -6.902 8.963 1.00 0.00 H new ATOM 848 N SER A 54 109.056 -1.654 8.594 1.00 0.00 N ATOM 849 CA SER A 54 107.881 -0.962 9.096 1.00 0.00 C ATOM 850 C SER A 54 107.372 -1.655 10.355 1.00 0.00 C ATOM 851 O SER A 54 107.602 -2.856 10.534 1.00 0.00 O ATOM 852 CB SER A 54 106.791 -0.943 8.016 1.00 0.00 C ATOM 853 OG SER A 54 105.672 -0.169 8.412 1.00 0.00 O ATOM 0 H SER A 54 108.847 -2.414 7.947 1.00 0.00 H new ATOM 0 HA SER A 54 108.145 0.066 9.346 1.00 0.00 H new ATOM 0 HB2 SER A 54 107.203 -0.540 7.091 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.471 -1.963 7.804 1.00 0.00 H new ATOM 0 HG SER A 54 104.999 -0.178 7.699 1.00 0.00 H new ATOM 859 N ASN A 55 106.698 -0.888 11.221 1.00 0.00 N ATOM 860 CA ASN A 55 106.121 -1.404 12.469 1.00 0.00 C ATOM 861 C ASN A 55 107.209 -1.828 13.457 1.00 0.00 C ATOM 862 O ASN A 55 107.432 -1.166 14.475 1.00 0.00 O ATOM 863 CB ASN A 55 105.166 -2.571 12.184 1.00 0.00 C ATOM 864 CG ASN A 55 104.534 -3.141 13.439 1.00 0.00 C ATOM 865 OD1 ASN A 55 104.347 -2.439 14.432 1.00 0.00 O ATOM 866 ND2 ASN A 55 104.183 -4.416 13.398 1.00 0.00 N ATOM 0 H ASN A 55 106.537 0.109 11.076 1.00 0.00 H new ATOM 0 HA ASN A 55 105.553 -0.595 12.928 1.00 0.00 H new ATOM 0 HB2 ASN A 55 104.379 -2.233 11.509 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.711 -3.361 11.667 1.00 0.00 H new ATOM 0 HD21 ASN A 55 103.741 -4.849 14.208 1.00 0.00 H new ATOM 0 HD22 ASN A 55 104.355 -4.965 12.556 1.00 0.00 H new ATOM 873 N GLU A 56 107.885 -2.923 13.154 1.00 0.00 N ATOM 874 CA GLU A 56 108.965 -3.413 13.990 1.00 0.00 C ATOM 875 C GLU A 56 110.287 -2.806 13.541 1.00 0.00 C ATOM 876 O GLU A 56 110.720 -3.001 12.403 1.00 0.00 O ATOM 877 CB GLU A 56 109.034 -4.941 13.931 1.00 0.00 C ATOM 878 CG GLU A 56 110.214 -5.541 14.684 1.00 0.00 C ATOM 879 CD GLU A 56 110.155 -5.294 16.176 1.00 0.00 C ATOM 880 OE1 GLU A 56 109.537 -6.109 16.890 1.00 0.00 O ATOM 881 OE2 GLU A 56 110.732 -4.293 16.646 1.00 0.00 O ATOM 0 H GLU A 56 107.702 -3.493 12.328 1.00 0.00 H new ATOM 0 HA GLU A 56 108.773 -3.116 15.021 1.00 0.00 H new ATOM 0 HB2 GLU A 56 108.110 -5.351 14.339 1.00 0.00 H new ATOM 0 HB3 GLU A 56 109.087 -5.251 12.887 1.00 0.00 H new ATOM 0 HG2 GLU A 56 110.246 -6.615 14.501 1.00 0.00 H new ATOM 0 HG3 GLU A 56 111.140 -5.123 14.289 1.00 0.00 H new ATOM 888 N GLY A 57 110.901 -2.049 14.431 1.00 0.00 N ATOM 889 CA GLY A 57 112.180 -1.446 14.145 1.00 0.00 C ATOM 890 C GLY A 57 112.037 -0.024 13.655 1.00 0.00 C ATOM 891 O GLY A 57 112.515 0.909 14.301 1.00 0.00 O ATOM 0 H GLY A 57 110.530 -1.840 15.358 1.00 0.00 H new ATOM 0 HA2 GLY A 57 112.797 -1.460 15.044 1.00 0.00 H new ATOM 0 HA3 GLY A 57 112.700 -2.038 13.392 1.00 0.00 H new ATOM 895 N LYS A 58 111.342 0.132 12.530 1.00 0.00 N ATOM 896 CA LYS A 58 111.216 1.423 11.857 1.00 0.00 C ATOM 897 C LYS A 58 112.600 1.978 11.552 1.00 0.00 C ATOM 898 O LYS A 58 112.939 3.108 11.917 1.00 0.00 O ATOM 899 CB LYS A 58 110.386 2.409 12.686 1.00 0.00 C ATOM 900 CG LYS A 58 108.969 1.924 12.954 1.00 0.00 C ATOM 901 CD LYS A 58 108.038 3.069 13.322 1.00 0.00 C ATOM 902 CE LYS A 58 107.900 4.062 12.178 1.00 0.00 C ATOM 903 NZ LYS A 58 106.909 5.128 12.482 1.00 0.00 N ATOM 0 H LYS A 58 110.852 -0.630 12.061 1.00 0.00 H new ATOM 0 HA LYS A 58 110.684 1.277 10.917 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.888 2.586 13.637 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.343 3.365 12.165 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.586 1.415 12.070 1.00 0.00 H new ATOM 0 HG3 LYS A 58 108.982 1.193 13.762 1.00 0.00 H new ATOM 0 HD2 LYS A 58 107.056 2.673 13.582 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.420 3.580 14.206 1.00 0.00 H new ATOM 0 HE2 LYS A 58 108.870 4.516 11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 58 107.598 3.534 11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 106.808 5.754 11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 105.990 4.695 12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 107.235 5.682 13.299 1.00 0.00 H new ATOM 917 N GLU A 59 113.388 1.162 10.867 1.00 0.00 N ATOM 918 CA GLU A 59 114.781 1.472 10.597 1.00 0.00 C ATOM 919 C GLU A 59 115.177 1.006 9.196 1.00 0.00 C ATOM 920 O GLU A 59 114.655 0.006 8.690 1.00 0.00 O ATOM 921 CB GLU A 59 115.668 0.789 11.647 1.00 0.00 C ATOM 922 CG GLU A 59 115.594 -0.732 11.603 1.00 0.00 C ATOM 923 CD GLU A 59 116.283 -1.407 12.775 1.00 0.00 C ATOM 924 OE1 GLU A 59 117.374 -0.955 13.179 1.00 0.00 O ATOM 925 OE2 GLU A 59 115.743 -2.416 13.283 1.00 0.00 O ATOM 0 H GLU A 59 113.079 0.269 10.484 1.00 0.00 H new ATOM 0 HA GLU A 59 114.918 2.552 10.649 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.702 1.100 11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.374 1.131 12.639 1.00 0.00 H new ATOM 0 HG2 GLU A 59 114.548 -1.036 11.583 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.046 -1.083 10.675 1.00 0.00 H new ATOM 932 N ILE A 60 116.071 1.754 8.564 1.00 0.00 N ATOM 933 CA ILE A 60 116.660 1.350 7.296 1.00 0.00 C ATOM 934 C ILE A 60 117.937 0.569 7.570 1.00 0.00 C ATOM 935 O ILE A 60 118.900 1.115 8.110 1.00 0.00 O ATOM 936 CB ILE A 60 116.992 2.560 6.398 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.754 3.439 6.199 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.533 2.084 5.055 1.00 0.00 C ATOM 939 CD1 ILE A 60 116.023 4.707 5.416 1.00 0.00 C ATOM 0 H ILE A 60 116.406 2.652 8.913 1.00 0.00 H new ATOM 0 HA ILE A 60 115.931 0.734 6.769 1.00 0.00 H new ATOM 0 HB ILE A 60 117.758 3.159 6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 60 114.988 2.860 5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.348 3.705 7.175 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.764 2.946 4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.438 1.498 5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 60 116.784 1.466 4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 60 115.099 5.276 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.765 5.308 5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.399 4.450 4.426 1.00 0.00 H new ATOM 951 N VAL A 61 117.944 -0.703 7.210 1.00 0.00 N ATOM 952 CA VAL A 61 119.055 -1.577 7.572 1.00 0.00 C ATOM 953 C VAL A 61 119.954 -1.930 6.389 1.00 0.00 C ATOM 954 O VAL A 61 121.078 -2.400 6.583 1.00 0.00 O ATOM 955 CB VAL A 61 118.556 -2.878 8.233 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.027 -2.598 9.631 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.484 -3.537 7.381 1.00 0.00 C ATOM 0 H VAL A 61 117.203 -1.153 6.673 1.00 0.00 H new ATOM 0 HA VAL A 61 119.650 -1.006 8.285 1.00 0.00 H new ATOM 0 HB VAL A 61 119.399 -3.564 8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.679 -3.528 10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 61 118.823 -2.174 10.243 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.199 -1.892 9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.146 -4.453 7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 61 116.641 -2.855 7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 61 117.895 -3.776 6.400 1.00 0.00 H new ATOM 967 N GLY A 62 119.485 -1.704 5.169 1.00 0.00 N ATOM 968 CA GLY A 62 120.282 -2.088 4.023 1.00 0.00 C ATOM 969 C GLY A 62 119.819 -1.475 2.720 1.00 0.00 C ATOM 970 O GLY A 62 118.798 -0.785 2.670 1.00 0.00 O ATOM 0 H GLY A 62 118.587 -1.271 4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.318 -1.800 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.265 -3.174 3.928 1.00 0.00 H new ATOM 974 N ILE A 63 120.585 -1.741 1.669 1.00 0.00 N ATOM 975 CA ILE A 63 120.311 -1.224 0.339 1.00 0.00 C ATOM 976 C ILE A 63 120.050 -2.372 -0.632 1.00 0.00 C ATOM 977 O ILE A 63 120.848 -3.310 -0.728 1.00 0.00 O ATOM 978 CB ILE A 63 121.502 -0.385 -0.174 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.761 0.798 0.764 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.248 0.101 -1.597 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.045 1.541 0.464 1.00 0.00 C ATOM 0 H ILE A 63 121.419 -2.326 1.719 1.00 0.00 H new ATOM 0 HA ILE A 63 119.426 -0.590 0.399 1.00 0.00 H new ATOM 0 HB ILE A 63 122.390 -1.018 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 63 120.925 1.494 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 63 121.793 0.436 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.100 0.690 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.113 -0.757 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.350 0.718 -1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.162 2.365 1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 63 123.890 0.860 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.009 1.934 -0.552 1.00 0.00 H new ATOM 993 N ALA A 64 118.937 -2.297 -1.344 1.00 0.00 N ATOM 994 CA ALA A 64 118.578 -3.323 -2.310 1.00 0.00 C ATOM 995 C ALA A 64 118.660 -2.771 -3.729 1.00 0.00 C ATOM 996 O ALA A 64 118.457 -1.578 -3.947 1.00 0.00 O ATOM 997 CB ALA A 64 117.181 -3.848 -2.021 1.00 0.00 C ATOM 0 H ALA A 64 118.265 -1.534 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 64 119.285 -4.148 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.923 -4.616 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 64 117.153 -4.276 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.464 -3.030 -2.086 1.00 0.00 H new ATOM 1003 N GLU A 65 118.969 -3.634 -4.687 1.00 0.00 N ATOM 1004 CA GLU A 65 119.081 -3.222 -6.084 1.00 0.00 C ATOM 1005 C GLU A 65 118.157 -4.057 -6.960 1.00 0.00 C ATOM 1006 O GLU A 65 118.043 -5.271 -6.770 1.00 0.00 O ATOM 1007 CB GLU A 65 120.529 -3.364 -6.566 1.00 0.00 C ATOM 1008 CG GLU A 65 120.767 -2.912 -7.997 1.00 0.00 C ATOM 1009 CD GLU A 65 122.217 -3.063 -8.408 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.730 -4.204 -8.376 1.00 0.00 O ATOM 1011 OE2 GLU A 65 122.859 -2.044 -8.735 1.00 0.00 O ATOM 0 H GLU A 65 119.147 -4.625 -4.525 1.00 0.00 H new ATOM 0 HA GLU A 65 118.785 -2.176 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.176 -2.788 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.828 -4.408 -6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 65 120.137 -3.494 -8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.467 -1.869 -8.102 1.00 0.00 H new ATOM 1018 N ILE A 66 117.500 -3.397 -7.905 1.00 0.00 N ATOM 1019 CA ILE A 66 116.612 -4.066 -8.846 1.00 0.00 C ATOM 1020 C ILE A 66 117.426 -4.892 -9.838 1.00 0.00 C ATOM 1021 O ILE A 66 118.044 -4.344 -10.755 1.00 0.00 O ATOM 1022 CB ILE A 66 115.760 -3.050 -9.641 1.00 0.00 C ATOM 1023 CG1 ILE A 66 115.067 -2.050 -8.707 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.732 -3.775 -10.500 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.008 -2.661 -7.819 1.00 0.00 C ATOM 0 H ILE A 66 117.567 -2.388 -8.040 1.00 0.00 H new ATOM 0 HA ILE A 66 115.950 -4.709 -8.266 1.00 0.00 H new ATOM 0 HB ILE A 66 116.430 -2.490 -10.292 1.00 0.00 H new ATOM 0 HG12 ILE A 66 115.821 -1.574 -8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.611 -1.264 -9.309 1.00 0.00 H new ATOM 0 HG21 ILE A 66 114.141 -3.045 -11.053 1.00 0.00 H new ATOM 0 HG22 ILE A 66 115.244 -4.434 -11.201 1.00 0.00 H new ATOM 0 HG23 ILE A 66 114.075 -4.365 -9.861 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.568 -1.886 -7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.231 -3.112 -8.437 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.460 -3.426 -7.188 1.00 0.00 H new ATOM 1037 N ILE A 67 117.443 -6.202 -9.649 1.00 0.00 N ATOM 1038 CA ILE A 67 118.169 -7.083 -10.551 1.00 0.00 C ATOM 1039 C ILE A 67 117.230 -7.702 -11.576 1.00 0.00 C ATOM 1040 O ILE A 67 117.670 -8.311 -12.550 1.00 0.00 O ATOM 1041 CB ILE A 67 118.938 -8.185 -9.797 1.00 0.00 C ATOM 1042 CG1 ILE A 67 118.071 -8.803 -8.699 1.00 0.00 C ATOM 1043 CG2 ILE A 67 120.221 -7.614 -9.218 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.739 -9.947 -7.968 1.00 0.00 C ATOM 0 H ILE A 67 116.965 -6.677 -8.883 1.00 0.00 H new ATOM 0 HA ILE A 67 118.904 -6.468 -11.070 1.00 0.00 H new ATOM 0 HB ILE A 67 119.193 -8.978 -10.500 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.806 -8.029 -7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 67 117.141 -9.160 -9.141 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.760 -8.398 -8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.844 -7.228 -10.025 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.980 -6.806 -8.527 1.00 0.00 H new ATOM 0 HD11 ILE A 67 118.064 -10.334 -7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 67 118.980 -10.740 -8.676 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.655 -9.592 -7.496 1.00 0.00 H new ATOM 1056 N ARG A 68 115.939 -7.542 -11.344 1.00 0.00 N ATOM 1057 CA ARG A 68 114.926 -7.901 -12.322 1.00 0.00 C ATOM 1058 C ARG A 68 113.859 -6.821 -12.359 1.00 0.00 C ATOM 1059 O ARG A 68 113.188 -6.563 -11.357 1.00 0.00 O ATOM 1060 CB ARG A 68 114.314 -9.270 -12.014 1.00 0.00 C ATOM 1061 CG ARG A 68 115.153 -10.433 -12.521 1.00 0.00 C ATOM 1062 CD ARG A 68 114.573 -11.784 -12.125 1.00 0.00 C ATOM 1063 NE ARG A 68 114.712 -12.044 -10.694 1.00 0.00 N ATOM 1064 CZ ARG A 68 114.559 -13.239 -10.125 1.00 0.00 C ATOM 1065 NH1 ARG A 68 114.275 -14.306 -10.861 1.00 0.00 N ATOM 1066 NH2 ARG A 68 114.691 -13.370 -8.810 1.00 0.00 N ATOM 0 H ARG A 68 115.564 -7.161 -10.475 1.00 0.00 H new ATOM 0 HA ARG A 68 115.394 -7.975 -13.304 1.00 0.00 H new ATOM 0 HB2 ARG A 68 114.184 -9.368 -10.936 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.321 -9.325 -12.461 1.00 0.00 H new ATOM 0 HG2 ARG A 68 115.228 -10.377 -13.607 1.00 0.00 H new ATOM 0 HG3 ARG A 68 116.166 -10.346 -12.127 1.00 0.00 H new ATOM 0 HD2 ARG A 68 113.519 -11.820 -12.399 1.00 0.00 H new ATOM 0 HD3 ARG A 68 115.075 -12.572 -12.687 1.00 0.00 H new ATOM 0 HE ARG A 68 114.942 -11.256 -10.089 1.00 0.00 H new ATOM 0 HH11 ARG A 68 114.172 -14.216 -11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 68 114.160 -15.217 -10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 68 114.909 -12.556 -8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 68 114.574 -14.285 -8.374 1.00 0.00 H new ATOM 1080 N GLU A 69 113.735 -6.177 -13.514 1.00 0.00 N ATOM 1081 CA GLU A 69 112.846 -5.033 -13.683 1.00 0.00 C ATOM 1082 C GLU A 69 111.383 -5.434 -13.531 1.00 0.00 C ATOM 1083 O GLU A 69 111.060 -6.621 -13.518 1.00 0.00 O ATOM 1084 CB GLU A 69 113.076 -4.406 -15.053 1.00 0.00 C ATOM 1085 CG GLU A 69 114.484 -3.871 -15.228 1.00 0.00 C ATOM 1086 CD GLU A 69 114.821 -3.580 -16.668 1.00 0.00 C ATOM 1087 OE1 GLU A 69 115.309 -4.499 -17.356 1.00 0.00 O ATOM 1088 OE2 GLU A 69 114.609 -2.436 -17.115 1.00 0.00 O ATOM 0 H GLU A 69 114.247 -6.432 -14.358 1.00 0.00 H new ATOM 0 HA GLU A 69 113.074 -4.307 -12.903 1.00 0.00 H new ATOM 0 HB2 GLU A 69 112.876 -5.149 -15.825 1.00 0.00 H new ATOM 0 HB3 GLU A 69 112.363 -3.594 -15.200 1.00 0.00 H new ATOM 0 HG2 GLU A 69 114.597 -2.959 -14.641 1.00 0.00 H new ATOM 0 HG3 GLU A 69 115.195 -4.596 -14.832 1.00 0.00 H new ATOM 1095 N ALA A 70 110.512 -4.433 -13.437 1.00 0.00 N ATOM 1096 CA ALA A 70 109.086 -4.650 -13.208 1.00 0.00 C ATOM 1097 C ALA A 70 108.484 -5.624 -14.219 1.00 0.00 C ATOM 1098 O ALA A 70 108.394 -5.326 -15.412 1.00 0.00 O ATOM 1099 CB ALA A 70 108.340 -3.325 -13.247 1.00 0.00 C ATOM 0 H ALA A 70 110.774 -3.450 -13.517 1.00 0.00 H new ATOM 0 HA ALA A 70 108.979 -5.097 -12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.278 -3.500 -13.075 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.729 -2.665 -12.471 1.00 0.00 H new ATOM 0 HB3 ALA A 70 108.477 -2.859 -14.223 1.00 0.00 H new ATOM 1105 N TYR A 71 108.087 -6.788 -13.729 1.00 0.00 N ATOM 1106 CA TYR A 71 107.436 -7.797 -14.548 1.00 0.00 C ATOM 1107 C TYR A 71 106.190 -8.295 -13.824 1.00 0.00 C ATOM 1108 O TYR A 71 106.120 -8.201 -12.601 1.00 0.00 O ATOM 1109 CB TYR A 71 108.397 -8.962 -14.842 1.00 0.00 C ATOM 1110 CG TYR A 71 108.834 -9.743 -13.617 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.882 -9.297 -12.820 1.00 0.00 C ATOM 1112 CD2 TYR A 71 108.202 -10.929 -13.262 1.00 0.00 C ATOM 1113 CE1 TYR A 71 110.285 -10.009 -11.706 1.00 0.00 C ATOM 1114 CE2 TYR A 71 108.600 -11.645 -12.150 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.641 -11.181 -11.376 1.00 0.00 C ATOM 1116 OH TYR A 71 110.041 -11.893 -10.269 1.00 0.00 O ATOM 0 H TYR A 71 108.207 -7.059 -12.753 1.00 0.00 H new ATOM 0 HA TYR A 71 107.148 -7.358 -15.503 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.915 -9.646 -15.540 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.283 -8.569 -15.341 1.00 0.00 H new ATOM 0 HD1 TYR A 71 110.390 -8.379 -13.076 1.00 0.00 H new ATOM 0 HD2 TYR A 71 107.386 -11.297 -13.866 1.00 0.00 H new ATOM 0 HE1 TYR A 71 111.101 -9.648 -11.097 1.00 0.00 H new ATOM 0 HE2 TYR A 71 108.097 -12.564 -11.888 1.00 0.00 H new ATOM 0 HH TYR A 71 109.484 -12.694 -10.176 1.00 0.00 H new ATOM 1126 N PRO A 72 105.185 -8.802 -14.560 1.00 0.00 N ATOM 1127 CA PRO A 72 103.947 -9.314 -13.965 1.00 0.00 C ATOM 1128 C PRO A 72 104.211 -10.307 -12.835 1.00 0.00 C ATOM 1129 O PRO A 72 105.018 -11.232 -12.986 1.00 0.00 O ATOM 1130 CB PRO A 72 103.227 -10.005 -15.135 1.00 0.00 C ATOM 1131 CG PRO A 72 104.223 -10.060 -16.248 1.00 0.00 C ATOM 1132 CD PRO A 72 105.168 -8.917 -16.023 1.00 0.00 C ATOM 0 HA PRO A 72 103.362 -8.515 -13.510 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.897 -11.005 -14.855 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.339 -9.448 -15.432 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.756 -11.011 -16.247 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.730 -9.972 -17.216 1.00 0.00 H new ATOM 0 HD2 PRO A 72 106.159 -9.125 -16.425 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.817 -8.001 -16.498 1.00 0.00 H new ATOM 1140 N ASP A 73 103.542 -10.087 -11.703 1.00 0.00 N ATOM 1141 CA ASP A 73 103.681 -10.939 -10.520 1.00 0.00 C ATOM 1142 C ASP A 73 103.482 -12.406 -10.866 1.00 0.00 C ATOM 1143 O ASP A 73 102.639 -12.743 -11.693 1.00 0.00 O ATOM 1144 CB ASP A 73 102.666 -10.536 -9.441 1.00 0.00 C ATOM 1145 CG ASP A 73 103.012 -9.229 -8.758 1.00 0.00 C ATOM 1146 OD1 ASP A 73 103.208 -8.224 -9.461 1.00 0.00 O ATOM 1147 OD2 ASP A 73 103.095 -9.213 -7.509 1.00 0.00 O ATOM 0 H ASP A 73 102.889 -9.314 -11.580 1.00 0.00 H new ATOM 0 HA ASP A 73 104.693 -10.801 -10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 73 101.678 -10.452 -9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 73 102.608 -11.326 -8.692 1.00 0.00 H new ATOM 1152 N PRO A 74 104.247 -13.304 -10.224 1.00 0.00 N ATOM 1153 CA PRO A 74 104.148 -14.751 -10.462 1.00 0.00 C ATOM 1154 C PRO A 74 102.765 -15.310 -10.124 1.00 0.00 C ATOM 1155 O PRO A 74 102.423 -16.427 -10.505 1.00 0.00 O ATOM 1156 CB PRO A 74 105.207 -15.348 -9.525 1.00 0.00 C ATOM 1157 CG PRO A 74 106.130 -14.220 -9.213 1.00 0.00 C ATOM 1158 CD PRO A 74 105.285 -12.981 -9.231 1.00 0.00 C ATOM 0 HA PRO A 74 104.303 -14.994 -11.513 1.00 0.00 H new ATOM 0 HB2 PRO A 74 104.751 -15.747 -8.619 1.00 0.00 H new ATOM 0 HB3 PRO A 74 105.738 -16.171 -10.004 1.00 0.00 H new ATOM 0 HG2 PRO A 74 106.600 -14.358 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 74 106.932 -14.157 -9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.855 -12.771 -8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.862 -12.103 -9.521 1.00 0.00 H new ATOM 1166 N THR A 75 101.972 -14.521 -9.413 1.00 0.00 N ATOM 1167 CA THR A 75 100.628 -14.928 -9.034 1.00 0.00 C ATOM 1168 C THR A 75 99.589 -14.302 -9.966 1.00 0.00 C ATOM 1169 O THR A 75 98.382 -14.482 -9.786 1.00 0.00 O ATOM 1170 CB THR A 75 100.326 -14.539 -7.569 1.00 0.00 C ATOM 1171 OG1 THR A 75 99.044 -15.046 -7.171 1.00 0.00 O ATOM 1172 CG2 THR A 75 100.355 -13.027 -7.388 1.00 0.00 C ATOM 0 H THR A 75 102.238 -13.592 -9.086 1.00 0.00 H new ATOM 0 HA THR A 75 100.571 -16.013 -9.124 1.00 0.00 H new ATOM 0 HB THR A 75 101.099 -14.981 -6.941 1.00 0.00 H new ATOM 0 HG1 THR A 75 98.446 -15.069 -7.947 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.139 -12.781 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.342 -12.648 -7.654 1.00 0.00 H new ATOM 0 HG23 THR A 75 99.605 -12.569 -8.032 1.00 0.00 H new ATOM 1180 N ASP A 76 100.064 -13.574 -10.966 1.00 0.00 N ATOM 1181 CA ASP A 76 99.186 -12.919 -11.926 1.00 0.00 C ATOM 1182 C ASP A 76 99.633 -13.267 -13.339 1.00 0.00 C ATOM 1183 O ASP A 76 100.813 -13.514 -13.583 1.00 0.00 O ATOM 1184 CB ASP A 76 99.203 -11.394 -11.713 1.00 0.00 C ATOM 1185 CG ASP A 76 98.202 -10.653 -12.590 1.00 0.00 C ATOM 1186 OD1 ASP A 76 97.216 -11.279 -13.037 1.00 0.00 O ATOM 1187 OD2 ASP A 76 98.384 -9.435 -12.819 1.00 0.00 O ATOM 0 H ASP A 76 101.058 -13.421 -11.135 1.00 0.00 H new ATOM 0 HA ASP A 76 98.165 -13.270 -11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 76 98.989 -11.178 -10.666 1.00 0.00 H new ATOM 0 HB3 ASP A 76 100.205 -11.016 -11.918 1.00 0.00 H new ATOM 1192 N ALA A 77 98.693 -13.329 -14.266 1.00 0.00 N ATOM 1193 CA ALA A 77 99.032 -13.580 -15.655 1.00 0.00 C ATOM 1194 C ALA A 77 99.452 -12.273 -16.305 1.00 0.00 C ATOM 1195 O ALA A 77 100.602 -12.102 -16.708 1.00 0.00 O ATOM 1196 CB ALA A 77 97.851 -14.197 -16.394 1.00 0.00 C ATOM 0 H ALA A 77 97.696 -13.210 -14.084 1.00 0.00 H new ATOM 0 HA ALA A 77 99.858 -14.289 -15.705 1.00 0.00 H new ATOM 0 HB1 ALA A 77 98.126 -14.377 -17.433 1.00 0.00 H new ATOM 0 HB2 ALA A 77 97.579 -15.141 -15.922 1.00 0.00 H new ATOM 0 HB3 ALA A 77 97.002 -13.515 -16.357 1.00 0.00 H new ATOM 1202 N SER A 78 98.502 -11.355 -16.375 1.00 0.00 N ATOM 1203 CA SER A 78 98.728 -9.999 -16.853 1.00 0.00 C ATOM 1204 C SER A 78 97.539 -9.139 -16.472 1.00 0.00 C ATOM 1205 O SER A 78 97.199 -8.184 -17.172 1.00 0.00 O ATOM 1206 CB SER A 78 98.899 -9.957 -18.371 1.00 0.00 C ATOM 1207 OG SER A 78 100.067 -10.647 -18.783 1.00 0.00 O ATOM 0 H SER A 78 97.537 -11.533 -16.097 1.00 0.00 H new ATOM 0 HA SER A 78 99.644 -9.626 -16.395 1.00 0.00 H new ATOM 0 HB2 SER A 78 98.026 -10.401 -18.849 1.00 0.00 H new ATOM 0 HB3 SER A 78 98.952 -8.920 -18.703 1.00 0.00 H new ATOM 0 HG SER A 78 100.570 -10.938 -17.994 1.00 0.00 H new ATOM 1213 N GLY A 79 96.909 -9.482 -15.357 1.00 0.00 N ATOM 1214 CA GLY A 79 95.700 -8.810 -14.964 1.00 0.00 C ATOM 1215 C GLY A 79 95.955 -7.362 -14.653 1.00 0.00 C ATOM 1216 O GLY A 79 95.321 -6.480 -15.233 1.00 0.00 O ATOM 0 H GLY A 79 97.219 -10.216 -14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 79 94.962 -8.888 -15.763 1.00 0.00 H new ATOM 0 HA3 GLY A 79 95.276 -9.303 -14.089 1.00 0.00 H new ATOM 1220 N LYS A 80 96.940 -7.122 -13.795 1.00 0.00 N ATOM 1221 CA LYS A 80 97.204 -5.776 -13.271 1.00 0.00 C ATOM 1222 C LYS A 80 98.531 -5.667 -12.515 1.00 0.00 C ATOM 1223 O LYS A 80 99.097 -4.577 -12.426 1.00 0.00 O ATOM 1224 CB LYS A 80 96.079 -5.316 -12.329 1.00 0.00 C ATOM 1225 CG LYS A 80 94.892 -4.670 -13.034 1.00 0.00 C ATOM 1226 CD LYS A 80 95.345 -3.595 -14.013 1.00 0.00 C ATOM 1227 CE LYS A 80 94.205 -3.141 -14.909 1.00 0.00 C ATOM 1228 NZ LYS A 80 94.701 -2.384 -16.089 1.00 0.00 N ATOM 0 H LYS A 80 97.573 -7.840 -13.443 1.00 0.00 H new ATOM 0 HA LYS A 80 97.256 -5.135 -14.151 1.00 0.00 H new ATOM 0 HB2 LYS A 80 95.724 -6.175 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 80 96.490 -4.606 -11.611 1.00 0.00 H new ATOM 0 HG2 LYS A 80 94.324 -5.433 -13.566 1.00 0.00 H new ATOM 0 HG3 LYS A 80 94.222 -4.232 -12.294 1.00 0.00 H new ATOM 0 HD2 LYS A 80 95.737 -2.741 -13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 80 96.160 -3.980 -14.626 1.00 0.00 H new ATOM 0 HE2 LYS A 80 93.639 -4.009 -15.246 1.00 0.00 H new ATOM 0 HE3 LYS A 80 93.520 -2.515 -14.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 93.895 -2.091 -16.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 95.220 -1.542 -15.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 95.335 -2.989 -16.648 1.00 0.00 H new ATOM 1242 N PHE A 81 99.033 -6.763 -11.963 1.00 0.00 N ATOM 1243 CA PHE A 81 100.170 -6.681 -11.054 1.00 0.00 C ATOM 1244 C PHE A 81 101.508 -6.794 -11.777 1.00 0.00 C ATOM 1245 O PHE A 81 101.678 -7.606 -12.687 1.00 0.00 O ATOM 1246 CB PHE A 81 100.063 -7.757 -9.975 1.00 0.00 C ATOM 1247 CG PHE A 81 98.867 -7.589 -9.086 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.781 -6.512 -8.218 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.827 -8.502 -9.121 1.00 0.00 C ATOM 1250 CE1 PHE A 81 97.680 -6.350 -7.401 1.00 0.00 C ATOM 1251 CE2 PHE A 81 96.723 -8.346 -8.306 1.00 0.00 C ATOM 1252 CZ PHE A 81 96.649 -7.268 -7.443 1.00 0.00 C ATOM 0 H PHE A 81 98.679 -7.706 -12.124 1.00 0.00 H new ATOM 0 HA PHE A 81 100.138 -5.694 -10.592 1.00 0.00 H new ATOM 0 HB2 PHE A 81 100.018 -8.736 -10.452 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.966 -7.741 -9.365 1.00 0.00 H new ATOM 0 HD1 PHE A 81 99.584 -5.791 -8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.880 -9.346 -9.793 1.00 0.00 H new ATOM 0 HE1 PHE A 81 97.625 -5.506 -6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.918 -9.065 -8.343 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.787 -7.144 -6.804 1.00 0.00 H new ATOM 1262 N VAL A 82 102.445 -5.944 -11.363 1.00 0.00 N ATOM 1263 CA VAL A 82 103.829 -6.005 -11.818 1.00 0.00 C ATOM 1264 C VAL A 82 104.759 -5.722 -10.642 1.00 0.00 C ATOM 1265 O VAL A 82 104.602 -4.721 -9.942 1.00 0.00 O ATOM 1266 CB VAL A 82 104.139 -5.009 -12.966 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.463 -5.438 -14.259 1.00 0.00 C ATOM 1268 CG2 VAL A 82 103.721 -3.593 -12.594 1.00 0.00 C ATOM 0 H VAL A 82 102.263 -5.191 -10.700 1.00 0.00 H new ATOM 0 HA VAL A 82 103.990 -7.008 -12.213 1.00 0.00 H new ATOM 0 HB VAL A 82 105.218 -5.016 -13.124 1.00 0.00 H new ATOM 0 HG11 VAL A 82 103.697 -4.722 -15.047 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.823 -6.426 -14.547 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.384 -5.474 -14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 82 103.951 -2.917 -13.418 1.00 0.00 H new ATOM 0 HG22 VAL A 82 102.650 -3.571 -12.394 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.263 -3.276 -11.703 1.00 0.00 H new ATOM 1278 N CYS A 83 105.712 -6.607 -10.424 1.00 0.00 N ATOM 1279 CA CYS A 83 106.612 -6.491 -9.294 1.00 0.00 C ATOM 1280 C CYS A 83 108.065 -6.473 -9.750 1.00 0.00 C ATOM 1281 O CYS A 83 108.384 -6.856 -10.878 1.00 0.00 O ATOM 1282 CB CYS A 83 106.382 -7.651 -8.322 1.00 0.00 C ATOM 1283 SG CYS A 83 106.540 -9.286 -9.078 1.00 0.00 S ATOM 0 H CYS A 83 105.883 -7.418 -11.018 1.00 0.00 H new ATOM 0 HA CYS A 83 106.403 -5.549 -8.787 1.00 0.00 H new ATOM 0 HB2 CYS A 83 107.095 -7.571 -7.502 1.00 0.00 H new ATOM 0 HB3 CYS A 83 105.386 -7.557 -7.889 1.00 0.00 H new ATOM 0 HG CYS A 83 107.157 -10.085 -8.259 1.00 0.00 H new ATOM 1289 N VAL A 84 108.938 -6.016 -8.867 1.00 0.00 N ATOM 1290 CA VAL A 84 110.368 -6.021 -9.126 1.00 0.00 C ATOM 1291 C VAL A 84 111.062 -6.975 -8.171 1.00 0.00 C ATOM 1292 O VAL A 84 110.544 -7.267 -7.094 1.00 0.00 O ATOM 1293 CB VAL A 84 110.991 -4.617 -8.973 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.532 -3.704 -10.096 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.644 -4.017 -7.617 1.00 0.00 C ATOM 0 H VAL A 84 108.678 -5.634 -7.958 1.00 0.00 H new ATOM 0 HA VAL A 84 110.508 -6.345 -10.157 1.00 0.00 H new ATOM 0 HB VAL A 84 112.075 -4.717 -9.033 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.982 -2.719 -9.971 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.838 -4.124 -11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.446 -3.613 -10.070 1.00 0.00 H new ATOM 0 HG21 VAL A 84 111.093 -3.028 -7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.561 -3.933 -7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.029 -4.660 -6.825 1.00 0.00 H new ATOM 1305 N ASP A 85 112.219 -7.466 -8.566 1.00 0.00 N ATOM 1306 CA ASP A 85 112.981 -8.377 -7.729 1.00 0.00 C ATOM 1307 C ASP A 85 114.306 -7.743 -7.326 1.00 0.00 C ATOM 1308 O ASP A 85 114.992 -7.126 -8.149 1.00 0.00 O ATOM 1309 CB ASP A 85 113.173 -9.703 -8.465 1.00 0.00 C ATOM 1310 CG ASP A 85 114.494 -10.375 -8.173 1.00 0.00 C ATOM 1311 OD1 ASP A 85 114.582 -11.122 -7.187 1.00 0.00 O ATOM 1312 OD2 ASP A 85 115.435 -10.201 -8.971 1.00 0.00 O ATOM 0 H ASP A 85 112.655 -7.250 -9.463 1.00 0.00 H new ATOM 0 HA ASP A 85 112.434 -8.581 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 85 112.363 -10.380 -8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 85 113.094 -9.527 -9.538 1.00 0.00 H new ATOM 1317 N ILE A 86 114.651 -7.881 -6.051 1.00 0.00 N ATOM 1318 CA ILE A 86 115.790 -7.171 -5.486 1.00 0.00 C ATOM 1319 C ILE A 86 116.754 -8.105 -4.771 1.00 0.00 C ATOM 1320 O ILE A 86 116.366 -9.161 -4.269 1.00 0.00 O ATOM 1321 CB ILE A 86 115.335 -6.088 -4.483 1.00 0.00 C ATOM 1322 CG1 ILE A 86 114.422 -6.694 -3.410 1.00 0.00 C ATOM 1323 CG2 ILE A 86 114.633 -4.951 -5.205 1.00 0.00 C ATOM 1324 CD1 ILE A 86 113.993 -5.708 -2.346 1.00 0.00 C ATOM 0 H ILE A 86 114.157 -8.479 -5.389 1.00 0.00 H new ATOM 0 HA ILE A 86 116.301 -6.709 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 86 116.220 -5.685 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 86 113.534 -7.104 -3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.940 -7.526 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 86 114.320 -4.198 -4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 86 115.316 -4.500 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 86 113.758 -5.337 -5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 86 113.350 -6.210 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 86 114.874 -5.316 -1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 86 113.446 -4.887 -2.810 1.00 0.00 H new ATOM 1336 N LYS A 87 118.015 -7.700 -4.729 1.00 0.00 N ATOM 1337 CA LYS A 87 119.022 -8.405 -3.955 1.00 0.00 C ATOM 1338 C LYS A 87 119.606 -7.474 -2.905 1.00 0.00 C ATOM 1339 O LYS A 87 119.818 -6.285 -3.174 1.00 0.00 O ATOM 1340 CB LYS A 87 120.156 -8.927 -4.848 1.00 0.00 C ATOM 1341 CG LYS A 87 120.905 -7.831 -5.599 1.00 0.00 C ATOM 1342 CD LYS A 87 122.261 -8.314 -6.095 1.00 0.00 C ATOM 1343 CE LYS A 87 122.914 -7.305 -7.031 1.00 0.00 C ATOM 1344 NZ LYS A 87 123.064 -5.962 -6.407 1.00 0.00 N ATOM 0 H LYS A 87 118.365 -6.881 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 87 118.538 -9.258 -3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.864 -9.481 -4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.742 -9.631 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 87 120.306 -7.496 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 87 121.042 -6.970 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.916 -8.496 -5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 87 122.141 -9.265 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 87 123.895 -7.674 -7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 87 122.316 -7.216 -7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 123.169 -5.243 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 122.222 -5.749 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 123.907 -5.955 -5.797 1.00 0.00 H new ATOM 1358 N ALA A 88 119.827 -7.997 -1.707 1.00 0.00 N ATOM 1359 CA ALA A 88 120.572 -7.275 -0.691 1.00 0.00 C ATOM 1360 C ALA A 88 121.999 -7.045 -1.169 1.00 0.00 C ATOM 1361 O ALA A 88 122.836 -7.949 -1.121 1.00 0.00 O ATOM 1362 CB ALA A 88 120.564 -8.037 0.624 1.00 0.00 C ATOM 0 H ALA A 88 119.500 -8.919 -1.417 1.00 0.00 H new ATOM 0 HA ALA A 88 120.095 -6.310 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 88 121.128 -7.479 1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.536 -8.164 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 88 121.022 -9.016 0.480 1.00 0.00 H new ATOM 1368 N ASP A 89 122.259 -5.842 -1.656 1.00 0.00 N ATOM 1369 CA ASP A 89 123.554 -5.519 -2.239 1.00 0.00 C ATOM 1370 C ASP A 89 124.562 -5.214 -1.144 1.00 0.00 C ATOM 1371 O ASP A 89 125.624 -5.834 -1.060 1.00 0.00 O ATOM 1372 CB ASP A 89 123.420 -4.326 -3.186 1.00 0.00 C ATOM 1373 CG ASP A 89 124.686 -4.067 -3.982 1.00 0.00 C ATOM 1374 OD1 ASP A 89 124.945 -4.819 -4.947 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.407 -3.099 -3.664 1.00 0.00 O ATOM 0 H ASP A 89 121.590 -5.072 -1.660 1.00 0.00 H new ATOM 0 HA ASP A 89 123.909 -6.379 -2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.593 -4.504 -3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 89 123.169 -3.436 -2.609 1.00 0.00 H new ATOM 1380 N LYS A 90 124.215 -4.263 -0.292 1.00 0.00 N ATOM 1381 CA LYS A 90 125.048 -3.924 0.846 1.00 0.00 C ATOM 1382 C LYS A 90 124.198 -3.357 1.969 1.00 0.00 C ATOM 1383 O LYS A 90 123.252 -2.606 1.726 1.00 0.00 O ATOM 1384 CB LYS A 90 126.142 -2.920 0.459 1.00 0.00 C ATOM 1385 CG LYS A 90 125.625 -1.575 -0.027 1.00 0.00 C ATOM 1386 CD LYS A 90 126.761 -0.585 -0.248 1.00 0.00 C ATOM 1387 CE LYS A 90 127.207 0.102 1.045 1.00 0.00 C ATOM 1388 NZ LYS A 90 127.723 -0.848 2.071 1.00 0.00 N ATOM 0 H LYS A 90 123.360 -3.712 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 90 125.533 -4.838 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.788 -2.756 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 90 126.761 -3.360 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 90 125.074 -1.711 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 90 124.924 -1.169 0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 90 127.611 -1.106 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 90 126.443 0.172 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 90 127.983 0.831 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 90 126.366 0.655 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 128.265 -0.324 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 126.924 -1.333 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 128.340 -1.550 1.615 1.00 0.00 H new ATOM 1402 N PRO A 91 124.503 -3.728 3.211 1.00 0.00 N ATOM 1403 CA PRO A 91 123.820 -3.191 4.374 1.00 0.00 C ATOM 1404 C PRO A 91 124.415 -1.862 4.816 1.00 0.00 C ATOM 1405 O PRO A 91 125.485 -1.455 4.340 1.00 0.00 O ATOM 1406 CB PRO A 91 124.053 -4.270 5.426 1.00 0.00 C ATOM 1407 CG PRO A 91 125.382 -4.852 5.081 1.00 0.00 C ATOM 1408 CD PRO A 91 125.533 -4.718 3.585 1.00 0.00 C ATOM 0 HA PRO A 91 122.767 -2.979 4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.054 -3.849 6.432 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.269 -5.027 5.398 1.00 0.00 H new ATOM 0 HG2 PRO A 91 126.183 -4.326 5.600 1.00 0.00 H new ATOM 0 HG3 PRO A 91 125.438 -5.897 5.385 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.532 -4.377 3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.373 -5.671 3.080 1.00 0.00 H new ATOM 1416 N LEU A 92 123.716 -1.182 5.706 1.00 0.00 N ATOM 1417 CA LEU A 92 124.214 0.056 6.275 1.00 0.00 C ATOM 1418 C LEU A 92 124.968 -0.249 7.558 1.00 0.00 C ATOM 1419 O LEU A 92 124.630 -1.195 8.270 1.00 0.00 O ATOM 1420 CB LEU A 92 123.060 1.024 6.555 1.00 0.00 C ATOM 1421 CG LEU A 92 122.255 1.457 5.328 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.124 2.385 5.737 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.155 2.137 4.310 1.00 0.00 C ATOM 0 H LEU A 92 122.799 -1.467 6.051 1.00 0.00 H new ATOM 0 HA LEU A 92 124.888 0.530 5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.381 0.556 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.464 1.915 7.037 1.00 0.00 H new ATOM 0 HG LEU A 92 121.826 0.567 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.561 2.684 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.462 1.868 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.537 3.270 6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.564 2.437 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 92 123.613 3.018 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 92 123.935 1.444 3.994 1.00 0.00 H new ATOM 1435 N LYS A 93 125.998 0.530 7.847 1.00 0.00 N ATOM 1436 CA LYS A 93 126.770 0.320 9.064 1.00 0.00 C ATOM 1437 C LYS A 93 126.062 0.929 10.263 1.00 0.00 C ATOM 1438 O LYS A 93 126.352 0.593 11.409 1.00 0.00 O ATOM 1439 CB LYS A 93 128.183 0.888 8.935 1.00 0.00 C ATOM 1440 CG LYS A 93 129.230 -0.182 8.675 1.00 0.00 C ATOM 1441 CD LYS A 93 129.143 -1.282 9.724 1.00 0.00 C ATOM 1442 CE LYS A 93 130.230 -2.325 9.550 1.00 0.00 C ATOM 1443 NZ LYS A 93 130.090 -3.432 10.535 1.00 0.00 N ATOM 0 H LYS A 93 126.317 1.304 7.265 1.00 0.00 H new ATOM 0 HA LYS A 93 126.854 -0.756 9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.204 1.615 8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.438 1.424 9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.085 -0.607 7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 93 130.225 0.264 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 93 129.220 -0.841 10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 93 128.167 -1.763 9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 93 130.188 -2.730 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 93 131.207 -1.856 9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 130.850 -4.127 10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 130.155 -3.049 11.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 129.168 -3.895 10.408 1.00 0.00 H new ATOM 1457 N THR A 94 125.139 1.827 9.990 1.00 0.00 N ATOM 1458 CA THR A 94 124.309 2.406 11.024 1.00 0.00 C ATOM 1459 C THR A 94 122.845 2.352 10.599 1.00 0.00 C ATOM 1460 O THR A 94 122.443 3.043 9.662 1.00 0.00 O ATOM 1461 CB THR A 94 124.717 3.862 11.319 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.109 3.913 11.663 1.00 0.00 O ATOM 1463 CG2 THR A 94 123.891 4.444 12.457 1.00 0.00 C ATOM 0 H THR A 94 124.944 2.174 9.051 1.00 0.00 H new ATOM 0 HA THR A 94 124.447 1.826 11.937 1.00 0.00 H new ATOM 0 HB THR A 94 124.534 4.455 10.423 1.00 0.00 H new ATOM 0 HG1 THR A 94 126.366 4.840 11.849 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.201 5.472 12.643 1.00 0.00 H new ATOM 0 HG22 THR A 94 122.835 4.427 12.186 1.00 0.00 H new ATOM 0 HG23 THR A 94 124.044 3.850 13.358 1.00 0.00 H new ATOM 1471 N PRO A 95 122.047 1.494 11.255 1.00 0.00 N ATOM 1472 CA PRO A 95 120.615 1.370 10.970 1.00 0.00 C ATOM 1473 C PRO A 95 119.894 2.701 11.130 1.00 0.00 C ATOM 1474 O PRO A 95 119.849 3.273 12.223 1.00 0.00 O ATOM 1475 CB PRO A 95 120.122 0.357 12.008 1.00 0.00 C ATOM 1476 CG PRO A 95 121.339 -0.401 12.408 1.00 0.00 C ATOM 1477 CD PRO A 95 122.477 0.575 12.323 1.00 0.00 C ATOM 0 HA PRO A 95 120.424 1.057 9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.668 0.857 12.864 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.365 -0.304 11.587 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.238 -0.797 13.419 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.504 -1.252 11.747 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.632 1.098 13.267 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.416 0.080 12.075 1.00 0.00 H new ATOM 1485 N VAL A 96 119.344 3.197 10.036 1.00 0.00 N ATOM 1486 CA VAL A 96 118.707 4.500 10.039 1.00 0.00 C ATOM 1487 C VAL A 96 117.284 4.397 10.562 1.00 0.00 C ATOM 1488 O VAL A 96 116.347 4.137 9.807 1.00 0.00 O ATOM 1489 CB VAL A 96 118.703 5.139 8.635 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.084 6.527 8.680 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.115 5.199 8.072 1.00 0.00 C ATOM 0 H VAL A 96 119.326 2.717 9.136 1.00 0.00 H new ATOM 0 HA VAL A 96 119.289 5.142 10.700 1.00 0.00 H new ATOM 0 HB VAL A 96 118.097 4.517 7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.091 6.961 7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.057 6.456 9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 96 118.660 7.161 9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.093 5.653 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 96 120.744 5.797 8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 96 120.521 4.190 8.000 1.00 0.00 H new ATOM 1501 N THR A 97 117.138 4.559 11.863 1.00 0.00 N ATOM 1502 CA THR A 97 115.831 4.558 12.487 1.00 0.00 C ATOM 1503 C THR A 97 115.085 5.842 12.148 1.00 0.00 C ATOM 1504 O THR A 97 115.695 6.825 11.719 1.00 0.00 O ATOM 1505 CB THR A 97 115.955 4.425 14.016 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.853 5.425 14.521 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.456 3.042 14.404 1.00 0.00 C ATOM 0 H THR A 97 117.914 4.694 12.511 1.00 0.00 H new ATOM 0 HA THR A 97 115.274 3.703 12.104 1.00 0.00 H new ATOM 0 HB THR A 97 114.967 4.568 14.453 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.927 5.337 15.494 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.535 2.975 15.489 1.00 0.00 H new ATOM 0 HG22 THR A 97 115.757 2.287 14.043 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.436 2.872 13.958 1.00 0.00 H new ATOM 1515 N LEU A 98 113.771 5.835 12.331 1.00 0.00 N ATOM 1516 CA LEU A 98 112.967 7.029 12.101 1.00 0.00 C ATOM 1517 C LEU A 98 113.487 8.196 12.941 1.00 0.00 C ATOM 1518 O LEU A 98 113.493 9.339 12.490 1.00 0.00 O ATOM 1519 CB LEU A 98 111.497 6.757 12.429 1.00 0.00 C ATOM 1520 CG LEU A 98 110.546 7.925 12.155 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.444 8.197 10.662 1.00 0.00 C ATOM 1522 CD2 LEU A 98 109.174 7.644 12.744 1.00 0.00 C ATOM 0 H LEU A 98 113.241 5.019 12.637 1.00 0.00 H new ATOM 0 HA LEU A 98 113.046 7.296 11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.165 5.895 11.851 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.420 6.484 13.482 1.00 0.00 H new ATOM 0 HG LEU A 98 110.950 8.816 12.636 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.763 9.031 10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.430 8.446 10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.066 7.309 10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.511 8.485 12.540 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.763 6.740 12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.262 7.505 13.822 1.00 0.00 H new ATOM 1534 N ALA A 99 113.944 7.888 14.152 1.00 0.00 N ATOM 1535 CA ALA A 99 114.522 8.891 15.041 1.00 0.00 C ATOM 1536 C ALA A 99 115.723 9.571 14.391 1.00 0.00 C ATOM 1537 O ALA A 99 115.897 10.784 14.504 1.00 0.00 O ATOM 1538 CB ALA A 99 114.935 8.249 16.356 1.00 0.00 C ATOM 0 H ALA A 99 113.925 6.946 14.542 1.00 0.00 H new ATOM 0 HA ALA A 99 113.764 9.650 15.236 1.00 0.00 H new ATOM 0 HB1 ALA A 99 115.365 9.006 17.011 1.00 0.00 H new ATOM 0 HB2 ALA A 99 114.061 7.808 16.836 1.00 0.00 H new ATOM 0 HB3 ALA A 99 115.675 7.472 16.165 1.00 0.00 H new ATOM 1544 N ALA A 100 116.542 8.785 13.702 1.00 0.00 N ATOM 1545 CA ALA A 100 117.711 9.317 13.011 1.00 0.00 C ATOM 1546 C ALA A 100 117.287 10.193 11.836 1.00 0.00 C ATOM 1547 O ALA A 100 117.934 11.191 11.527 1.00 0.00 O ATOM 1548 CB ALA A 100 118.611 8.184 12.540 1.00 0.00 C ATOM 0 H ALA A 100 116.418 7.777 13.607 1.00 0.00 H new ATOM 0 HA ALA A 100 118.274 9.935 13.710 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.479 8.598 12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.942 7.601 13.399 1.00 0.00 H new ATOM 0 HB3 ALA A 100 118.058 7.540 11.856 1.00 0.00 H new ATOM 1554 N VAL A 101 116.186 9.816 11.198 1.00 0.00 N ATOM 1555 CA VAL A 101 115.630 10.589 10.093 1.00 0.00 C ATOM 1556 C VAL A 101 115.146 11.952 10.587 1.00 0.00 C ATOM 1557 O VAL A 101 115.330 12.972 9.925 1.00 0.00 O ATOM 1558 CB VAL A 101 114.458 9.834 9.422 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.881 10.633 8.266 1.00 0.00 C ATOM 1560 CG2 VAL A 101 114.906 8.461 8.944 1.00 0.00 C ATOM 0 H VAL A 101 115.657 8.975 11.428 1.00 0.00 H new ATOM 0 HA VAL A 101 116.420 10.733 9.356 1.00 0.00 H new ATOM 0 HB VAL A 101 113.675 9.704 10.169 1.00 0.00 H new ATOM 0 HG11 VAL A 101 113.059 10.077 7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.513 11.591 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.657 10.805 7.520 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.067 7.947 8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.713 8.573 8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.260 7.877 9.794 1.00 0.00 H new ATOM 1570 N LYS A 102 114.552 11.960 11.773 1.00 0.00 N ATOM 1571 CA LYS A 102 114.015 13.186 12.357 1.00 0.00 C ATOM 1572 C LYS A 102 115.130 14.044 12.950 1.00 0.00 C ATOM 1573 O LYS A 102 114.901 15.183 13.358 1.00 0.00 O ATOM 1574 CB LYS A 102 112.982 12.854 13.436 1.00 0.00 C ATOM 1575 CG LYS A 102 111.874 11.933 12.949 1.00 0.00 C ATOM 1576 CD LYS A 102 110.834 11.675 14.028 1.00 0.00 C ATOM 1577 CE LYS A 102 109.968 12.899 14.272 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.959 12.661 15.336 1.00 0.00 N ATOM 0 H LYS A 102 114.429 11.130 12.352 1.00 0.00 H new ATOM 0 HA LYS A 102 113.530 13.753 11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 102 113.488 12.387 14.281 1.00 0.00 H new ATOM 0 HB3 LYS A 102 112.540 13.780 13.802 1.00 0.00 H new ATOM 0 HG2 LYS A 102 111.391 12.376 12.078 1.00 0.00 H new ATOM 0 HG3 LYS A 102 112.305 10.985 12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 102 110.204 10.835 13.734 1.00 0.00 H new ATOM 0 HD3 LYS A 102 111.333 11.390 14.955 1.00 0.00 H new ATOM 0 HE2 LYS A 102 110.601 13.741 14.553 1.00 0.00 H new ATOM 0 HE3 LYS A 102 109.462 13.176 13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 108.389 13.520 15.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 108.339 11.874 15.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 109.442 12.422 16.225 1.00 0.00 H new ATOM 1592 N ALA A 103 116.337 13.490 12.996 1.00 0.00 N ATOM 1593 CA ALA A 103 117.500 14.219 13.483 1.00 0.00 C ATOM 1594 C ALA A 103 118.107 15.054 12.364 1.00 0.00 C ATOM 1595 O ALA A 103 119.048 15.820 12.574 1.00 0.00 O ATOM 1596 CB ALA A 103 118.534 13.257 14.051 1.00 0.00 C ATOM 0 H ALA A 103 116.535 12.534 12.700 1.00 0.00 H new ATOM 0 HA ALA A 103 117.180 14.889 14.281 1.00 0.00 H new ATOM 0 HB1 ALA A 103 119.396 13.820 14.410 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.096 12.698 14.878 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.852 12.564 13.273 1.00 0.00 H new ATOM 1602 N GLU A 104 117.560 14.895 11.170 1.00 0.00 N ATOM 1603 CA GLU A 104 118.019 15.633 10.013 1.00 0.00 C ATOM 1604 C GLU A 104 116.870 16.456 9.434 1.00 0.00 C ATOM 1605 O GLU A 104 115.895 15.901 8.926 1.00 0.00 O ATOM 1606 CB GLU A 104 118.583 14.664 8.972 1.00 0.00 C ATOM 1607 CG GLU A 104 119.059 15.332 7.693 1.00 0.00 C ATOM 1608 CD GLU A 104 120.080 16.421 7.938 1.00 0.00 C ATOM 1609 OE1 GLU A 104 121.137 16.135 8.538 1.00 0.00 O ATOM 1610 OE2 GLU A 104 119.824 17.573 7.533 1.00 0.00 O ATOM 0 H GLU A 104 116.790 14.254 10.980 1.00 0.00 H new ATOM 0 HA GLU A 104 118.814 16.318 10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.416 14.117 9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 104 117.817 13.930 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 104 119.491 14.578 7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 104 118.202 15.757 7.171 1.00 0.00 H new ATOM 1617 N PRO A 105 116.971 17.792 9.525 1.00 0.00 N ATOM 1618 CA PRO A 105 115.928 18.716 9.052 1.00 0.00 C ATOM 1619 C PRO A 105 115.451 18.418 7.631 1.00 0.00 C ATOM 1620 O PRO A 105 114.253 18.481 7.349 1.00 0.00 O ATOM 1621 CB PRO A 105 116.618 20.079 9.107 1.00 0.00 C ATOM 1622 CG PRO A 105 117.634 19.938 10.183 1.00 0.00 C ATOM 1623 CD PRO A 105 118.113 18.515 10.117 1.00 0.00 C ATOM 0 HA PRO A 105 115.027 18.643 9.660 1.00 0.00 H new ATOM 0 HB2 PRO A 105 117.082 20.328 8.153 1.00 0.00 H new ATOM 0 HB3 PRO A 105 115.908 20.875 9.333 1.00 0.00 H new ATOM 0 HG2 PRO A 105 118.459 20.635 10.034 1.00 0.00 H new ATOM 0 HG3 PRO A 105 117.202 20.159 11.159 1.00 0.00 H new ATOM 0 HD2 PRO A 105 119.009 18.421 9.503 1.00 0.00 H new ATOM 0 HD3 PRO A 105 118.363 18.130 11.106 1.00 0.00 H new ATOM 1631 N ARG A 106 116.382 18.075 6.745 1.00 0.00 N ATOM 1632 CA ARG A 106 116.045 17.821 5.345 1.00 0.00 C ATOM 1633 C ARG A 106 115.311 16.493 5.166 1.00 0.00 C ATOM 1634 O ARG A 106 114.587 16.304 4.189 1.00 0.00 O ATOM 1635 CB ARG A 106 117.300 17.844 4.464 1.00 0.00 C ATOM 1636 CG ARG A 106 117.890 19.232 4.275 1.00 0.00 C ATOM 1637 CD ARG A 106 118.905 19.264 3.137 1.00 0.00 C ATOM 1638 NE ARG A 106 120.142 18.547 3.454 1.00 0.00 N ATOM 1639 CZ ARG A 106 120.946 18.002 2.536 1.00 0.00 C ATOM 1640 NH1 ARG A 106 120.619 18.028 1.249 1.00 0.00 N ATOM 1641 NH2 ARG A 106 122.080 17.426 2.910 1.00 0.00 N ATOM 0 H ARG A 106 117.371 17.967 6.969 1.00 0.00 H new ATOM 0 HA ARG A 106 115.376 18.622 5.032 1.00 0.00 H new ATOM 0 HB2 ARG A 106 118.056 17.195 4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 106 117.055 17.427 3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 106 117.090 19.943 4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 106 118.370 19.552 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 106 118.456 18.827 2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 106 119.143 20.301 2.899 1.00 0.00 H new ATOM 0 HE ARG A 106 120.406 18.458 4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 106 119.747 18.467 0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 106 121.240 17.609 0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 106 122.337 17.399 3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 106 122.695 17.009 2.211 1.00 0.00 H new ATOM 1655 N LEU A 107 115.480 15.581 6.114 1.00 0.00 N ATOM 1656 CA LEU A 107 114.894 14.250 5.997 1.00 0.00 C ATOM 1657 C LEU A 107 113.554 14.163 6.720 1.00 0.00 C ATOM 1658 O LEU A 107 112.767 13.251 6.472 1.00 0.00 O ATOM 1659 CB LEU A 107 115.856 13.195 6.541 1.00 0.00 C ATOM 1660 CG LEU A 107 117.183 13.079 5.791 1.00 0.00 C ATOM 1661 CD1 LEU A 107 118.057 12.012 6.428 1.00 0.00 C ATOM 1662 CD2 LEU A 107 116.943 12.767 4.321 1.00 0.00 C ATOM 0 H LEU A 107 116.015 15.736 6.969 1.00 0.00 H new ATOM 0 HA LEU A 107 114.717 14.058 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 107 116.066 13.422 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 107 115.358 12.226 6.519 1.00 0.00 H new ATOM 0 HG LEU A 107 117.701 14.036 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.999 11.940 5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 107 118.257 12.278 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 107 117.543 11.051 6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 107 117.900 12.688 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 107 116.404 11.823 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.353 13.565 3.871 1.00 0.00 H new ATOM 1674 N ALA A 108 113.290 15.112 7.606 1.00 0.00 N ATOM 1675 CA ALA A 108 112.022 15.145 8.325 1.00 0.00 C ATOM 1676 C ALA A 108 110.882 15.534 7.387 1.00 0.00 C ATOM 1677 O ALA A 108 109.719 15.207 7.626 1.00 0.00 O ATOM 1678 CB ALA A 108 112.101 16.107 9.499 1.00 0.00 C ATOM 0 H ALA A 108 113.933 15.867 7.845 1.00 0.00 H new ATOM 0 HA ALA A 108 111.820 14.146 8.712 1.00 0.00 H new ATOM 0 HB1 ALA A 108 111.146 16.119 10.024 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.887 15.784 10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 108 112.327 17.109 9.134 1.00 0.00 H new ATOM 1684 N ASP A 109 111.233 16.222 6.311 1.00 0.00 N ATOM 1685 CA ASP A 109 110.256 16.655 5.318 1.00 0.00 C ATOM 1686 C ASP A 109 110.113 15.598 4.221 1.00 0.00 C ATOM 1687 O ASP A 109 109.247 15.694 3.350 1.00 0.00 O ATOM 1688 CB ASP A 109 110.685 18.001 4.723 1.00 0.00 C ATOM 1689 CG ASP A 109 109.674 18.577 3.752 1.00 0.00 C ATOM 1690 OD1 ASP A 109 108.596 19.024 4.200 1.00 0.00 O ATOM 1691 OD2 ASP A 109 109.955 18.592 2.535 1.00 0.00 O ATOM 0 H ASP A 109 112.193 16.495 6.101 1.00 0.00 H new ATOM 0 HA ASP A 109 109.286 16.779 5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 109 110.847 18.713 5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 109 111.640 17.877 4.212 1.00 0.00 H new ATOM 1696 N MET A 110 110.960 14.576 4.291 1.00 0.00 N ATOM 1697 CA MET A 110 110.953 13.491 3.312 1.00 0.00 C ATOM 1698 C MET A 110 109.703 12.628 3.481 1.00 0.00 C ATOM 1699 O MET A 110 109.166 12.515 4.587 1.00 0.00 O ATOM 1700 CB MET A 110 112.226 12.646 3.468 1.00 0.00 C ATOM 1701 CG MET A 110 112.331 11.471 2.503 1.00 0.00 C ATOM 1702 SD MET A 110 113.902 10.595 2.640 1.00 0.00 S ATOM 1703 CE MET A 110 113.907 10.156 4.376 1.00 0.00 C ATOM 0 H MET A 110 111.665 14.475 5.021 1.00 0.00 H new ATOM 0 HA MET A 110 110.935 13.915 2.308 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.094 13.291 3.330 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.271 12.266 4.489 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.514 10.775 2.694 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.209 11.833 1.482 1.00 0.00 H new ATOM 0 HE1 MET A 110 114.665 10.741 4.897 1.00 0.00 H new ATOM 0 HE2 MET A 110 112.928 10.365 4.807 1.00 0.00 H new ATOM 0 HE3 MET A 110 114.131 9.095 4.482 1.00 0.00 H new ATOM 1713 N ALA A 111 109.243 12.027 2.383 1.00 0.00 N ATOM 1714 CA ALA A 111 108.015 11.228 2.380 1.00 0.00 C ATOM 1715 C ALA A 111 108.040 10.127 3.443 1.00 0.00 C ATOM 1716 O ALA A 111 106.998 9.749 3.970 1.00 0.00 O ATOM 1717 CB ALA A 111 107.779 10.621 1.000 1.00 0.00 C ATOM 0 H ALA A 111 109.707 12.079 1.476 1.00 0.00 H new ATOM 0 HA ALA A 111 107.192 11.900 2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 111 106.863 10.030 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 111 107.685 11.419 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 111 108.620 9.980 0.736 1.00 0.00 H new ATOM 1723 N LEU A 112 109.229 9.628 3.759 1.00 0.00 N ATOM 1724 CA LEU A 112 109.387 8.542 4.729 1.00 0.00 C ATOM 1725 C LEU A 112 108.863 8.932 6.111 1.00 0.00 C ATOM 1726 O LEU A 112 108.285 8.110 6.820 1.00 0.00 O ATOM 1727 CB LEU A 112 110.860 8.139 4.832 1.00 0.00 C ATOM 1728 CG LEU A 112 111.164 7.036 5.849 1.00 0.00 C ATOM 1729 CD1 LEU A 112 110.484 5.735 5.453 1.00 0.00 C ATOM 1730 CD2 LEU A 112 112.665 6.835 5.988 1.00 0.00 C ATOM 0 H LEU A 112 110.106 9.959 3.356 1.00 0.00 H new ATOM 0 HA LEU A 112 108.797 7.697 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 112 111.200 7.809 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 112 111.444 9.022 5.092 1.00 0.00 H new ATOM 0 HG LEU A 112 110.768 7.346 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 112 110.714 4.965 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 112 109.405 5.886 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.845 5.419 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.861 6.047 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 112 113.085 6.551 5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 112 113.127 7.763 6.325 1.00 0.00 H new ATOM 1742 N MET A 113 109.053 10.190 6.478 1.00 0.00 N ATOM 1743 CA MET A 113 108.691 10.659 7.811 1.00 0.00 C ATOM 1744 C MET A 113 107.210 11.031 7.871 1.00 0.00 C ATOM 1745 O MET A 113 106.631 11.164 8.949 1.00 0.00 O ATOM 1746 CB MET A 113 109.557 11.869 8.182 1.00 0.00 C ATOM 1747 CG MET A 113 110.122 11.825 9.596 1.00 0.00 C ATOM 1748 SD MET A 113 108.861 11.980 10.879 1.00 0.00 S ATOM 1749 CE MET A 113 108.274 13.644 10.581 1.00 0.00 C ATOM 0 H MET A 113 109.456 10.906 5.873 1.00 0.00 H new ATOM 0 HA MET A 113 108.868 9.855 8.526 1.00 0.00 H new ATOM 0 HB2 MET A 113 110.384 11.940 7.475 1.00 0.00 H new ATOM 0 HB3 MET A 113 108.962 12.775 8.069 1.00 0.00 H new ATOM 0 HG2 MET A 113 110.658 10.886 9.736 1.00 0.00 H new ATOM 0 HG3 MET A 113 110.850 12.628 9.713 1.00 0.00 H new ATOM 0 HE1 MET A 113 107.755 14.011 11.467 1.00 0.00 H new ATOM 0 HE2 MET A 113 109.120 14.294 10.360 1.00 0.00 H new ATOM 0 HE3 MET A 113 107.588 13.642 9.734 1.00 0.00 H new ATOM 1759 N LYS A 114 106.597 11.174 6.705 1.00 0.00 N ATOM 1760 CA LYS A 114 105.224 11.658 6.623 1.00 0.00 C ATOM 1761 C LYS A 114 104.260 10.540 6.231 1.00 0.00 C ATOM 1762 O LYS A 114 103.224 10.347 6.864 1.00 0.00 O ATOM 1763 CB LYS A 114 105.143 12.803 5.607 1.00 0.00 C ATOM 1764 CG LYS A 114 106.154 13.912 5.861 1.00 0.00 C ATOM 1765 CD LYS A 114 106.087 14.997 4.797 1.00 0.00 C ATOM 1766 CE LYS A 114 106.300 14.433 3.401 1.00 0.00 C ATOM 1767 NZ LYS A 114 106.511 15.504 2.396 1.00 0.00 N ATOM 0 H LYS A 114 107.026 10.963 5.804 1.00 0.00 H new ATOM 0 HA LYS A 114 104.930 12.020 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 114 105.300 12.402 4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.139 13.226 5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 114 105.970 14.353 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 114 107.158 13.489 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 114 105.118 15.493 4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 114 106.843 15.755 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 114 107.162 13.766 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 114 105.435 13.834 3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 106.316 15.131 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 105.869 16.298 2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 107.496 15.835 2.443 1.00 0.00 H new ATOM 1781 N TYR A 115 104.607 9.801 5.188 1.00 0.00 N ATOM 1782 CA TYR A 115 103.731 8.766 4.658 1.00 0.00 C ATOM 1783 C TYR A 115 104.146 7.386 5.149 1.00 0.00 C ATOM 1784 O TYR A 115 105.137 6.821 4.677 1.00 0.00 O ATOM 1785 CB TYR A 115 103.749 8.782 3.129 1.00 0.00 C ATOM 1786 CG TYR A 115 103.199 10.047 2.510 1.00 0.00 C ATOM 1787 CD1 TYR A 115 104.022 11.137 2.252 1.00 0.00 C ATOM 1788 CD2 TYR A 115 101.854 10.147 2.171 1.00 0.00 C ATOM 1789 CE1 TYR A 115 103.522 12.288 1.676 1.00 0.00 C ATOM 1790 CE2 TYR A 115 101.347 11.294 1.597 1.00 0.00 C ATOM 1791 CZ TYR A 115 102.183 12.362 1.350 1.00 0.00 C ATOM 1792 OH TYR A 115 101.679 13.504 0.777 1.00 0.00 O ATOM 0 H TYR A 115 105.492 9.899 4.690 1.00 0.00 H new ATOM 0 HA TYR A 115 102.723 8.977 5.015 1.00 0.00 H new ATOM 0 HB2 TYR A 115 104.775 8.642 2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 115 103.173 7.933 2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 115 105.070 11.083 2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 115 101.195 9.312 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 115 104.175 13.126 1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 115 100.299 11.355 1.342 1.00 0.00 H new ATOM 0 HH TYR A 115 100.720 13.390 0.610 1.00 0.00 H new ATOM 1802 N SER A 116 103.396 6.854 6.096 1.00 0.00 N ATOM 1803 CA SER A 116 103.622 5.501 6.576 1.00 0.00 C ATOM 1804 C SER A 116 102.844 4.506 5.718 1.00 0.00 C ATOM 1805 O SER A 116 103.266 3.365 5.535 1.00 0.00 O ATOM 1806 CB SER A 116 103.211 5.380 8.043 1.00 0.00 C ATOM 1807 OG SER A 116 103.855 6.365 8.835 1.00 0.00 O ATOM 0 H SER A 116 102.622 7.339 6.550 1.00 0.00 H new ATOM 0 HA SER A 116 104.685 5.273 6.499 1.00 0.00 H new ATOM 0 HB2 SER A 116 102.130 5.487 8.131 1.00 0.00 H new ATOM 0 HB3 SER A 116 103.464 4.387 8.414 1.00 0.00 H new ATOM 0 HG SER A 116 103.575 6.268 9.769 1.00 0.00 H new ATOM 1813 N ARG A 117 101.702 4.961 5.194 1.00 0.00 N ATOM 1814 CA ARG A 117 100.869 4.138 4.320 1.00 0.00 C ATOM 1815 C ARG A 117 101.583 3.874 2.999 1.00 0.00 C ATOM 1816 O ARG A 117 101.484 2.789 2.425 1.00 0.00 O ATOM 1817 CB ARG A 117 99.531 4.827 4.040 1.00 0.00 C ATOM 1818 CG ARG A 117 98.739 5.175 5.289 1.00 0.00 C ATOM 1819 CD ARG A 117 97.446 5.894 4.943 1.00 0.00 C ATOM 1820 NE ARG A 117 96.778 6.419 6.133 1.00 0.00 N ATOM 1821 CZ ARG A 117 95.686 7.182 6.106 1.00 0.00 C ATOM 1822 NH1 ARG A 117 95.086 7.460 4.954 1.00 0.00 N ATOM 1823 NH2 ARG A 117 95.189 7.656 7.242 1.00 0.00 N ATOM 0 H ARG A 117 101.335 5.898 5.362 1.00 0.00 H new ATOM 0 HA ARG A 117 100.684 3.192 4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.716 5.740 3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 117 98.925 4.178 3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 117 98.513 4.264 5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 117 99.344 5.805 5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.659 6.713 4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 117 96.777 5.208 4.424 1.00 0.00 H new ATOM 0 HE ARG A 117 97.174 6.186 7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 117 95.461 7.089 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 117 94.250 8.045 4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 117 95.643 7.436 8.128 1.00 0.00 H new ATOM 0 HH22 ARG A 117 94.353 8.241 7.228 1.00 0.00 H new ATOM 1837 N LEU A 118 102.302 4.883 2.522 1.00 0.00 N ATOM 1838 CA LEU A 118 103.040 4.780 1.274 1.00 0.00 C ATOM 1839 C LEU A 118 104.317 3.973 1.488 1.00 0.00 C ATOM 1840 O LEU A 118 105.329 4.503 1.948 1.00 0.00 O ATOM 1841 CB LEU A 118 103.371 6.181 0.743 1.00 0.00 C ATOM 1842 CG LEU A 118 104.096 6.229 -0.604 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.214 5.693 -1.718 1.00 0.00 C ATOM 1844 CD2 LEU A 118 104.534 7.650 -0.919 1.00 0.00 C ATOM 0 H LEU A 118 102.388 5.787 2.986 1.00 0.00 H new ATOM 0 HA LEU A 118 102.424 4.266 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 118 102.442 6.744 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 118 103.985 6.694 1.483 1.00 0.00 H new ATOM 0 HG LEU A 118 104.979 5.594 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.754 5.739 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 118 102.945 4.659 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.309 6.296 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.048 7.668 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 118 103.659 8.299 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.209 8.004 -0.140 1.00 0.00 H new ATOM 1856 N SER A 119 104.248 2.683 1.189 1.00 0.00 N ATOM 1857 CA SER A 119 105.390 1.797 1.356 1.00 0.00 C ATOM 1858 C SER A 119 106.490 2.135 0.351 1.00 0.00 C ATOM 1859 O SER A 119 107.630 2.400 0.738 1.00 0.00 O ATOM 1860 CB SER A 119 104.951 0.337 1.202 1.00 0.00 C ATOM 1861 OG SER A 119 106.032 -0.555 1.422 1.00 0.00 O ATOM 0 H SER A 119 103.410 2.226 0.829 1.00 0.00 H new ATOM 0 HA SER A 119 105.794 1.938 2.359 1.00 0.00 H new ATOM 0 HB2 SER A 119 104.149 0.120 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 119 104.546 0.181 0.202 1.00 0.00 H new ATOM 0 HG SER A 119 105.720 -1.478 1.319 1.00 0.00 H new ATOM 1867 N VAL A 120 106.130 2.159 -0.927 1.00 0.00 N ATOM 1868 CA VAL A 120 107.090 2.418 -1.993 1.00 0.00 C ATOM 1869 C VAL A 120 107.203 3.912 -2.250 1.00 0.00 C ATOM 1870 O VAL A 120 106.250 4.550 -2.702 1.00 0.00 O ATOM 1871 CB VAL A 120 106.690 1.696 -3.298 1.00 0.00 C ATOM 1872 CG1 VAL A 120 107.656 2.033 -4.425 1.00 0.00 C ATOM 1873 CG2 VAL A 120 106.636 0.191 -3.076 1.00 0.00 C ATOM 0 H VAL A 120 105.176 2.001 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 120 108.056 2.031 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 120 105.698 2.042 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 120 107.352 1.512 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 120 107.646 3.108 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 120 108.663 1.721 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.353 -0.304 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.616 -0.165 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 120 105.900 -0.037 -2.305 1.00 0.00 H new ATOM 1883 N GLN A 121 108.365 4.467 -1.952 1.00 0.00 N ATOM 1884 CA GLN A 121 108.580 5.898 -2.072 1.00 0.00 C ATOM 1885 C GLN A 121 109.772 6.202 -2.966 1.00 0.00 C ATOM 1886 O GLN A 121 110.764 5.471 -2.963 1.00 0.00 O ATOM 1887 CB GLN A 121 108.797 6.507 -0.689 1.00 0.00 C ATOM 1888 CG GLN A 121 107.572 6.418 0.197 1.00 0.00 C ATOM 1889 CD GLN A 121 107.812 6.926 1.599 1.00 0.00 C ATOM 1890 OE1 GLN A 121 108.908 6.811 2.144 1.00 0.00 O ATOM 1891 NE2 GLN A 121 106.779 7.484 2.201 1.00 0.00 N ATOM 0 H GLN A 121 109.178 3.945 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 121 107.694 6.339 -2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 121 109.629 5.999 -0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 121 109.083 7.553 -0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 121 106.762 6.990 -0.256 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.241 5.380 0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 121 105.886 7.561 1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 121 106.874 7.839 3.153 1.00 0.00 H new ATOM 1900 N PRO A 122 109.677 7.276 -3.760 1.00 0.00 N ATOM 1901 CA PRO A 122 110.770 7.752 -4.586 1.00 0.00 C ATOM 1902 C PRO A 122 111.666 8.719 -3.819 1.00 0.00 C ATOM 1903 O PRO A 122 111.234 9.800 -3.406 1.00 0.00 O ATOM 1904 CB PRO A 122 110.065 8.468 -5.746 1.00 0.00 C ATOM 1905 CG PRO A 122 108.633 8.647 -5.329 1.00 0.00 C ATOM 1906 CD PRO A 122 108.488 8.111 -3.926 1.00 0.00 C ATOM 0 HA PRO A 122 111.424 6.945 -4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.533 9.431 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 122 110.132 7.881 -6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 122 108.354 9.700 -5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 122 107.968 8.117 -6.011 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.455 8.914 -3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.571 7.533 -3.809 1.00 0.00 H new ATOM 1914 N VAL A 123 112.907 8.320 -3.622 1.00 0.00 N ATOM 1915 CA VAL A 123 113.863 9.125 -2.882 1.00 0.00 C ATOM 1916 C VAL A 123 114.768 9.863 -3.858 1.00 0.00 C ATOM 1917 O VAL A 123 115.288 9.262 -4.797 1.00 0.00 O ATOM 1918 CB VAL A 123 114.720 8.242 -1.948 1.00 0.00 C ATOM 1919 CG1 VAL A 123 115.630 9.089 -1.078 1.00 0.00 C ATOM 1920 CG2 VAL A 123 113.835 7.353 -1.087 1.00 0.00 C ATOM 0 H VAL A 123 113.281 7.436 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 123 113.314 9.842 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 123 115.347 7.605 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.221 8.441 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.296 9.675 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.027 9.760 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.458 6.739 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.177 7.974 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.234 6.708 -1.728 1.00 0.00 H new ATOM 1930 N THR A 124 114.945 11.162 -3.663 1.00 0.00 N ATOM 1931 CA THR A 124 115.789 11.936 -4.560 1.00 0.00 C ATOM 1932 C THR A 124 117.261 11.674 -4.262 1.00 0.00 C ATOM 1933 O THR A 124 117.594 11.048 -3.253 1.00 0.00 O ATOM 1934 CB THR A 124 115.491 13.449 -4.485 1.00 0.00 C ATOM 1935 OG1 THR A 124 115.642 13.925 -3.147 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.081 13.747 -4.976 1.00 0.00 C ATOM 0 H THR A 124 114.522 11.695 -2.903 1.00 0.00 H new ATOM 0 HA THR A 124 115.562 11.610 -5.575 1.00 0.00 H new ATOM 0 HB THR A 124 116.205 13.962 -5.129 1.00 0.00 H new ATOM 0 HG1 THR A 124 114.803 13.797 -2.657 1.00 0.00 H new ATOM 0 HG21 THR A 124 113.893 14.819 -4.914 1.00 0.00 H new ATOM 0 HG22 THR A 124 113.979 13.420 -6.011 1.00 0.00 H new ATOM 0 HG23 THR A 124 113.360 13.216 -4.355 1.00 0.00 H new ATOM 1944 N ALA A 125 118.131 12.152 -5.143 1.00 0.00 N ATOM 1945 CA ALA A 125 119.562 11.898 -5.036 1.00 0.00 C ATOM 1946 C ALA A 125 120.114 12.340 -3.692 1.00 0.00 C ATOM 1947 O ALA A 125 120.687 11.537 -2.962 1.00 0.00 O ATOM 1948 CB ALA A 125 120.299 12.590 -6.171 1.00 0.00 C ATOM 0 H ALA A 125 117.867 12.723 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 125 119.718 10.822 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 125 121.368 12.395 -6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 125 119.938 12.208 -7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.121 13.664 -6.119 1.00 0.00 H new ATOM 1954 N GLU A 126 119.911 13.600 -3.350 1.00 0.00 N ATOM 1955 CA GLU A 126 120.498 14.151 -2.140 1.00 0.00 C ATOM 1956 C GLU A 126 119.862 13.568 -0.882 1.00 0.00 C ATOM 1957 O GLU A 126 120.531 13.435 0.140 1.00 0.00 O ATOM 1958 CB GLU A 126 120.405 15.675 -2.147 1.00 0.00 C ATOM 1959 CG GLU A 126 121.239 16.307 -3.248 1.00 0.00 C ATOM 1960 CD GLU A 126 122.689 15.869 -3.194 1.00 0.00 C ATOM 1961 OE1 GLU A 126 123.476 16.495 -2.450 1.00 0.00 O ATOM 1962 OE2 GLU A 126 123.052 14.892 -3.886 1.00 0.00 O ATOM 0 H GLU A 126 119.348 14.258 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 126 121.551 13.868 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 126 119.363 15.971 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 126 120.733 16.060 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 126 120.818 16.042 -4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 126 121.186 17.392 -3.163 1.00 0.00 H new ATOM 1969 N GLU A 127 118.582 13.204 -0.955 1.00 0.00 N ATOM 1970 CA GLU A 127 117.933 12.526 0.165 1.00 0.00 C ATOM 1971 C GLU A 127 118.597 11.175 0.401 1.00 0.00 C ATOM 1972 O GLU A 127 119.008 10.859 1.517 1.00 0.00 O ATOM 1973 CB GLU A 127 116.438 12.326 -0.095 1.00 0.00 C ATOM 1974 CG GLU A 127 115.637 13.617 -0.136 1.00 0.00 C ATOM 1975 CD GLU A 127 114.184 13.385 -0.510 1.00 0.00 C ATOM 1976 OE1 GLU A 127 113.934 12.752 -1.563 1.00 0.00 O ATOM 1977 OE2 GLU A 127 113.289 13.860 0.221 1.00 0.00 O ATOM 0 H GLU A 127 117.982 13.364 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 127 118.043 13.153 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.312 11.803 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.028 11.681 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 127 115.685 14.102 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.090 14.300 -0.855 1.00 0.00 H new ATOM 1984 N TRP A 128 118.710 10.395 -0.670 1.00 0.00 N ATOM 1985 CA TRP A 128 119.365 9.092 -0.624 1.00 0.00 C ATOM 1986 C TRP A 128 120.788 9.223 -0.102 1.00 0.00 C ATOM 1987 O TRP A 128 121.186 8.533 0.838 1.00 0.00 O ATOM 1988 CB TRP A 128 119.384 8.467 -2.025 1.00 0.00 C ATOM 1989 CG TRP A 128 120.177 7.192 -2.116 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.530 7.072 -2.281 1.00 0.00 C ATOM 1991 CD2 TRP A 128 119.663 5.858 -2.063 1.00 0.00 C ATOM 1992 NE1 TRP A 128 121.886 5.749 -2.320 1.00 0.00 N ATOM 1993 CE2 TRP A 128 120.758 4.983 -2.191 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.384 5.319 -1.918 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.610 3.601 -2.178 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.240 3.948 -1.902 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.347 3.102 -2.031 1.00 0.00 C ATOM 0 H TRP A 128 118.351 10.647 -1.591 1.00 0.00 H new ATOM 0 HA TRP A 128 118.803 8.448 0.053 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.359 8.268 -2.337 1.00 0.00 H new ATOM 0 HB3 TRP A 128 119.796 9.190 -2.729 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.218 7.900 -2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 128 122.836 5.393 -2.428 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.523 5.964 -1.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.462 2.946 -2.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.255 3.519 -1.788 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.200 2.032 -2.014 1.00 0.00 H new ATOM 2008 N LYS A 129 121.541 10.119 -0.719 1.00 0.00 N ATOM 2009 CA LYS A 129 122.944 10.307 -0.393 1.00 0.00 C ATOM 2010 C LYS A 129 123.123 10.752 1.055 1.00 0.00 C ATOM 2011 O LYS A 129 124.042 10.302 1.741 1.00 0.00 O ATOM 2012 CB LYS A 129 123.565 11.330 -1.339 1.00 0.00 C ATOM 2013 CG LYS A 129 123.591 10.891 -2.792 1.00 0.00 C ATOM 2014 CD LYS A 129 124.455 9.660 -2.995 1.00 0.00 C ATOM 2015 CE LYS A 129 124.430 9.196 -4.444 1.00 0.00 C ATOM 2016 NZ LYS A 129 124.839 10.274 -5.383 1.00 0.00 N ATOM 0 H LYS A 129 121.198 10.734 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 129 123.451 9.350 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.009 12.265 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 129 124.585 11.538 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 129 122.575 10.681 -3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 129 123.968 11.705 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 129 125.481 9.881 -2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 129 124.103 8.856 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 129 125.096 8.341 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 129 123.426 8.856 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 125.005 9.868 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 124.085 10.988 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 125.713 10.720 -5.040 1.00 0.00 H new ATOM 2030 N LEU A 130 122.240 11.620 1.519 1.00 0.00 N ATOM 2031 CA LEU A 130 122.303 12.113 2.886 1.00 0.00 C ATOM 2032 C LEU A 130 122.077 10.976 3.880 1.00 0.00 C ATOM 2033 O LEU A 130 122.787 10.865 4.880 1.00 0.00 O ATOM 2034 CB LEU A 130 121.268 13.219 3.094 1.00 0.00 C ATOM 2035 CG LEU A 130 121.277 13.884 4.469 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.648 14.460 4.777 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.225 14.974 4.521 1.00 0.00 C ATOM 0 H LEU A 130 121.469 11.999 0.969 1.00 0.00 H new ATOM 0 HA LEU A 130 123.297 12.525 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.428 13.988 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.277 12.801 2.919 1.00 0.00 H new ATOM 0 HG LEU A 130 121.047 13.131 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.633 14.929 5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.389 13.661 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 130 122.907 15.204 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.237 15.444 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 130 120.439 15.723 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.242 14.540 4.338 1.00 0.00 H new ATOM 2049 N VAL A 131 121.099 10.127 3.587 1.00 0.00 N ATOM 2050 CA VAL A 131 120.786 8.991 4.445 1.00 0.00 C ATOM 2051 C VAL A 131 121.880 7.930 4.370 1.00 0.00 C ATOM 2052 O VAL A 131 122.283 7.380 5.392 1.00 0.00 O ATOM 2053 CB VAL A 131 119.434 8.344 4.066 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.139 7.140 4.947 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.304 9.355 4.160 1.00 0.00 C ATOM 0 H VAL A 131 120.508 10.204 2.759 1.00 0.00 H new ATOM 0 HA VAL A 131 120.720 9.376 5.462 1.00 0.00 H new ATOM 0 HB VAL A 131 119.508 8.003 3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.182 6.704 4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 131 119.928 6.398 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.095 7.454 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.363 8.876 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.238 9.733 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.499 10.183 3.479 1.00 0.00 H new ATOM 2065 N CYS A 132 122.368 7.652 3.162 1.00 0.00 N ATOM 2066 CA CYS A 132 123.387 6.625 2.979 1.00 0.00 C ATOM 2067 C CYS A 132 124.649 6.999 3.755 1.00 0.00 C ATOM 2068 O CYS A 132 125.217 6.178 4.474 1.00 0.00 O ATOM 2069 CB CYS A 132 123.692 6.411 1.482 1.00 0.00 C ATOM 2070 SG CYS A 132 124.755 7.656 0.706 1.00 0.00 S ATOM 0 H CYS A 132 122.076 8.120 2.304 1.00 0.00 H new ATOM 0 HA CYS A 132 123.009 5.681 3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.162 5.435 1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 132 122.747 6.379 0.939 1.00 0.00 H new ATOM 0 HG CYS A 132 124.611 8.793 1.319 1.00 0.00 H new ATOM 2076 N LYS A 133 125.038 8.262 3.652 1.00 0.00 N ATOM 2077 CA LYS A 133 126.211 8.774 4.345 1.00 0.00 C ATOM 2078 C LYS A 133 125.960 8.834 5.847 1.00 0.00 C ATOM 2079 O LYS A 133 126.882 8.706 6.655 1.00 0.00 O ATOM 2080 CB LYS A 133 126.559 10.157 3.790 1.00 0.00 C ATOM 2081 CG LYS A 133 127.713 10.853 4.494 1.00 0.00 C ATOM 2082 CD LYS A 133 128.009 12.202 3.857 1.00 0.00 C ATOM 2083 CE LYS A 133 126.810 13.139 3.928 1.00 0.00 C ATOM 2084 NZ LYS A 133 127.048 14.395 3.172 1.00 0.00 N ATOM 0 H LYS A 133 124.551 8.958 3.088 1.00 0.00 H new ATOM 0 HA LYS A 133 127.054 8.103 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 133 126.803 10.058 2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 133 125.676 10.792 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 133 127.471 10.990 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 133 128.602 10.224 4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 133 128.860 12.662 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 133 128.295 12.057 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 133 125.930 12.635 3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 133 126.595 13.377 4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 126.210 15.007 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 127.873 14.889 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 127.228 14.170 2.173 1.00 0.00 H new ATOM 2098 N MET A 134 124.699 9.004 6.214 1.00 0.00 N ATOM 2099 CA MET A 134 124.303 9.037 7.613 1.00 0.00 C ATOM 2100 C MET A 134 124.323 7.625 8.195 1.00 0.00 C ATOM 2101 O MET A 134 124.472 7.435 9.402 1.00 0.00 O ATOM 2102 CB MET A 134 122.906 9.652 7.743 1.00 0.00 C ATOM 2103 CG MET A 134 122.510 9.989 9.168 1.00 0.00 C ATOM 2104 SD MET A 134 120.933 10.859 9.265 1.00 0.00 S ATOM 2105 CE MET A 134 119.819 9.626 8.597 1.00 0.00 C ATOM 0 H MET A 134 123.928 9.122 5.557 1.00 0.00 H new ATOM 0 HA MET A 134 125.009 9.652 8.172 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.862 10.559 7.140 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.175 8.958 7.328 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.450 9.070 9.751 1.00 0.00 H new ATOM 0 HG3 MET A 134 123.288 10.604 9.621 1.00 0.00 H new ATOM 0 HE1 MET A 134 118.898 9.614 9.180 1.00 0.00 H new ATOM 0 HE2 MET A 134 119.589 9.868 7.559 1.00 0.00 H new ATOM 0 HE3 MET A 134 120.291 8.645 8.645 1.00 0.00 H new ATOM 2115 N GLY A 135 124.202 6.637 7.315 1.00 0.00 N ATOM 2116 CA GLY A 135 124.198 5.251 7.734 1.00 0.00 C ATOM 2117 C GLY A 135 125.588 4.643 7.777 1.00 0.00 C ATOM 2118 O GLY A 135 125.740 3.422 7.725 1.00 0.00 O ATOM 0 H GLY A 135 124.106 6.776 6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.744 5.177 8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.575 4.672 7.052 1.00 0.00 H new ATOM 2122 N GLY A 136 126.603 5.494 7.864 1.00 0.00 N ATOM 2123 CA GLY A 136 127.965 5.014 8.013 1.00 0.00 C ATOM 2124 C GLY A 136 128.723 4.943 6.702 1.00 0.00 C ATOM 2125 O GLY A 136 129.842 4.432 6.656 1.00 0.00 O ATOM 0 H GLY A 136 126.508 6.509 7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.501 5.670 8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 136 127.946 4.024 8.468 1.00 0.00 H new ATOM 2129 N LEU A 137 128.126 5.450 5.635 1.00 0.00 N ATOM 2130 CA LEU A 137 128.772 5.430 4.328 1.00 0.00 C ATOM 2131 C LEU A 137 129.524 6.732 4.078 1.00 0.00 C ATOM 2132 O LEU A 137 129.067 7.604 3.338 1.00 0.00 O ATOM 2133 CB LEU A 137 127.755 5.181 3.208 1.00 0.00 C ATOM 2134 CG LEU A 137 127.293 3.729 3.023 1.00 0.00 C ATOM 2135 CD1 LEU A 137 126.704 3.153 4.303 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.272 3.653 1.905 1.00 0.00 C ATOM 0 H LEU A 137 127.200 5.879 5.645 1.00 0.00 H new ATOM 0 HA LEU A 137 129.487 4.607 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.877 5.798 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 137 128.188 5.525 2.269 1.00 0.00 H new ATOM 0 HG LEU A 137 128.168 3.133 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 137 126.390 2.124 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 137 127.457 3.174 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 137 125.843 3.748 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 137 125.948 2.620 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.412 4.275 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.721 4.009 0.978 1.00 0.00 H new ATOM 2148 N LEU A 138 130.665 6.862 4.733 1.00 0.00 N ATOM 2149 CA LEU A 138 131.531 8.022 4.563 1.00 0.00 C ATOM 2150 C LEU A 138 132.966 7.628 4.878 1.00 0.00 C ATOM 2151 O LEU A 138 133.824 8.476 5.123 1.00 0.00 O ATOM 2152 CB LEU A 138 131.090 9.191 5.463 1.00 0.00 C ATOM 2153 CG LEU A 138 131.304 9.011 6.976 1.00 0.00 C ATOM 2154 CD1 LEU A 138 131.162 10.346 7.689 1.00 0.00 C ATOM 2155 CD2 LEU A 138 130.318 8.010 7.556 1.00 0.00 C ATOM 0 H LEU A 138 131.018 6.171 5.395 1.00 0.00 H new ATOM 0 HA LEU A 138 131.459 8.359 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 138 131.626 10.086 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 138 130.030 9.375 5.288 1.00 0.00 H new ATOM 0 HG LEU A 138 132.312 8.626 7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 138 131.316 10.205 8.759 1.00 0.00 H new ATOM 0 HD12 LEU A 138 131.905 11.045 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 138 130.163 10.747 7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 138 130.494 7.904 8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 138 129.300 8.363 7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 138 130.451 7.044 7.069 1.00 0.00 H new ATOM 2167 N GLU A 139 133.221 6.330 4.832 1.00 0.00 N ATOM 2168 CA GLU A 139 134.510 5.784 5.225 1.00 0.00 C ATOM 2169 C GLU A 139 135.476 5.721 4.046 1.00 0.00 C ATOM 2170 O GLU A 139 135.106 5.999 2.903 1.00 0.00 O ATOM 2171 CB GLU A 139 134.341 4.393 5.859 1.00 0.00 C ATOM 2172 CG GLU A 139 133.069 3.647 5.455 1.00 0.00 C ATOM 2173 CD GLU A 139 132.952 3.409 3.962 1.00 0.00 C ATOM 2174 OE1 GLU A 139 133.612 2.480 3.449 1.00 0.00 O ATOM 2175 OE2 GLU A 139 132.199 4.151 3.302 1.00 0.00 O ATOM 0 H GLU A 139 132.546 5.630 4.524 1.00 0.00 H new ATOM 0 HA GLU A 139 134.938 6.456 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 139 135.203 3.782 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 139 134.351 4.501 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 139 133.042 2.687 5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 139 132.202 4.215 5.793 1.00 0.00 H new ATOM 2182 N HIS A 140 136.717 5.364 4.343 1.00 0.00 N ATOM 2183 CA HIS A 140 137.769 5.294 3.335 1.00 0.00 C ATOM 2184 C HIS A 140 137.615 4.026 2.499 1.00 0.00 C ATOM 2185 O HIS A 140 137.658 2.918 3.028 1.00 0.00 O ATOM 2186 CB HIS A 140 139.140 5.319 4.023 1.00 0.00 C ATOM 2187 CG HIS A 140 140.302 5.471 3.089 1.00 0.00 C ATOM 2188 ND1 HIS A 140 141.063 4.409 2.655 1.00 0.00 N ATOM 2189 CD2 HIS A 140 140.851 6.574 2.530 1.00 0.00 C ATOM 2190 CE1 HIS A 140 142.030 4.852 1.875 1.00 0.00 C ATOM 2191 NE2 HIS A 140 141.926 6.164 1.782 1.00 0.00 N ATOM 0 H HIS A 140 137.024 5.116 5.284 1.00 0.00 H new ATOM 0 HA HIS A 140 137.689 6.154 2.671 1.00 0.00 H new ATOM 0 HB2 HIS A 140 139.157 6.139 4.741 1.00 0.00 H new ATOM 0 HB3 HIS A 140 139.264 4.397 4.590 1.00 0.00 H new ATOM 0 HD2 HIS A 140 140.506 7.590 2.650 1.00 0.00 H new ATOM 0 HE1 HIS A 140 142.781 4.243 1.393 1.00 0.00 H new ATOM 0 HE2 HIS A 140 142.542 6.773 1.243 1.00 0.00 H new ATOM 2200 N HIS A 141 137.418 4.197 1.199 1.00 0.00 N ATOM 2201 CA HIS A 141 137.238 3.062 0.295 1.00 0.00 C ATOM 2202 C HIS A 141 137.780 3.370 -1.099 1.00 0.00 C ATOM 2203 O HIS A 141 137.537 4.445 -1.651 1.00 0.00 O ATOM 2204 CB HIS A 141 135.761 2.644 0.215 1.00 0.00 C ATOM 2205 CG HIS A 141 134.783 3.778 0.079 1.00 0.00 C ATOM 2206 ND1 HIS A 141 135.018 4.911 -0.673 1.00 0.00 N ATOM 2207 CD2 HIS A 141 133.557 3.943 0.622 1.00 0.00 C ATOM 2208 CE1 HIS A 141 133.977 5.720 -0.584 1.00 0.00 C ATOM 2209 NE2 HIS A 141 133.074 5.156 0.198 1.00 0.00 N ATOM 0 H HIS A 141 137.378 5.109 0.744 1.00 0.00 H new ATOM 0 HA HIS A 141 137.808 2.228 0.704 1.00 0.00 H new ATOM 0 HB2 HIS A 141 135.635 1.973 -0.634 1.00 0.00 H new ATOM 0 HB3 HIS A 141 135.512 2.075 1.111 1.00 0.00 H new ATOM 0 HD1 HIS A 141 135.863 5.095 -1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 141 133.049 3.246 1.272 1.00 0.00 H new ATOM 0 HE1 HIS A 141 133.881 6.680 -1.069 1.00 0.00 H new ATOM 2218 N HIS A 142 138.505 2.413 -1.663 1.00 0.00 N ATOM 2219 CA HIS A 142 139.136 2.584 -2.967 1.00 0.00 C ATOM 2220 C HIS A 142 138.139 2.397 -4.106 1.00 0.00 C ATOM 2221 O HIS A 142 137.882 1.279 -4.551 1.00 0.00 O ATOM 2222 CB HIS A 142 140.304 1.605 -3.140 1.00 0.00 C ATOM 2223 CG HIS A 142 141.456 1.867 -2.220 1.00 0.00 C ATOM 2224 ND1 HIS A 142 142.005 0.904 -1.398 1.00 0.00 N ATOM 2225 CD2 HIS A 142 142.175 2.993 -2.005 1.00 0.00 C ATOM 2226 CE1 HIS A 142 143.007 1.428 -0.720 1.00 0.00 C ATOM 2227 NE2 HIS A 142 143.131 2.691 -1.070 1.00 0.00 N ATOM 0 H HIS A 142 138.672 1.503 -1.234 1.00 0.00 H new ATOM 0 HA HIS A 142 139.514 3.606 -3.007 1.00 0.00 H new ATOM 0 HB2 HIS A 142 139.942 0.590 -2.974 1.00 0.00 H new ATOM 0 HB3 HIS A 142 140.656 1.653 -4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 142 142.024 3.951 -2.481 1.00 0.00 H new ATOM 0 HE1 HIS A 142 143.622 0.909 0.000 1.00 0.00 H new ATOM 0 HE2 HIS A 142 143.827 3.341 -0.704 1.00 0.00 H new ATOM 2236 N HIS A 143 137.560 3.501 -4.552 1.00 0.00 N ATOM 2237 CA HIS A 143 136.691 3.511 -5.723 1.00 0.00 C ATOM 2238 C HIS A 143 137.046 4.700 -6.604 1.00 0.00 C ATOM 2239 O HIS A 143 137.565 5.705 -6.115 1.00 0.00 O ATOM 2240 CB HIS A 143 135.210 3.582 -5.321 1.00 0.00 C ATOM 2241 CG HIS A 143 134.578 2.246 -5.064 1.00 0.00 C ATOM 2242 ND1 HIS A 143 133.560 1.734 -5.839 1.00 0.00 N ATOM 2243 CD2 HIS A 143 134.809 1.324 -4.100 1.00 0.00 C ATOM 2244 CE1 HIS A 143 133.200 0.556 -5.369 1.00 0.00 C ATOM 2245 NE2 HIS A 143 133.942 0.282 -4.315 1.00 0.00 N ATOM 0 H HIS A 143 137.678 4.415 -4.115 1.00 0.00 H new ATOM 0 HA HIS A 143 136.844 2.582 -6.273 1.00 0.00 H new ATOM 0 HB2 HIS A 143 135.118 4.194 -4.424 1.00 0.00 H new ATOM 0 HB3 HIS A 143 134.655 4.088 -6.111 1.00 0.00 H new ATOM 0 HD2 HIS A 143 135.540 1.395 -3.308 1.00 0.00 H new ATOM 0 HE1 HIS A 143 132.427 -0.078 -5.779 1.00 0.00 H new ATOM 0 HE2 HIS A 143 133.882 -0.566 -3.751 1.00 0.00 H new ATOM 2254 N HIS A 144 136.788 4.582 -7.896 1.00 0.00 N ATOM 2255 CA HIS A 144 137.083 5.662 -8.830 1.00 0.00 C ATOM 2256 C HIS A 144 135.828 6.483 -9.084 1.00 0.00 C ATOM 2257 O HIS A 144 135.796 7.685 -8.829 1.00 0.00 O ATOM 2258 CB HIS A 144 137.612 5.110 -10.159 1.00 0.00 C ATOM 2259 CG HIS A 144 138.786 4.193 -10.016 1.00 0.00 C ATOM 2260 ND1 HIS A 144 138.668 2.822 -10.036 1.00 0.00 N ATOM 2261 CD2 HIS A 144 140.104 4.453 -9.861 1.00 0.00 C ATOM 2262 CE1 HIS A 144 139.862 2.278 -9.897 1.00 0.00 C ATOM 2263 NE2 HIS A 144 140.753 3.245 -9.791 1.00 0.00 N ATOM 0 H HIS A 144 136.376 3.753 -8.324 1.00 0.00 H new ATOM 0 HA HIS A 144 137.852 6.294 -8.387 1.00 0.00 H new ATOM 0 HB2 HIS A 144 136.807 4.576 -10.664 1.00 0.00 H new ATOM 0 HB3 HIS A 144 137.893 5.945 -10.801 1.00 0.00 H new ATOM 0 HD2 HIS A 144 140.561 5.430 -9.803 1.00 0.00 H new ATOM 0 HE1 HIS A 144 140.074 1.219 -9.874 1.00 0.00 H new ATOM 0 HE2 HIS A 144 141.758 3.117 -9.676 1.00 0.00 H new ATOM 2272 N HIS A 145 134.797 5.811 -9.576 1.00 0.00 N ATOM 2273 CA HIS A 145 133.526 6.448 -9.874 1.00 0.00 C ATOM 2274 C HIS A 145 132.449 5.385 -10.058 1.00 0.00 C ATOM 2275 O HIS A 145 131.782 5.042 -9.070 1.00 0.00 O ATOM 2276 CB HIS A 145 133.643 7.316 -11.133 1.00 0.00 C ATOM 2277 CG HIS A 145 132.378 8.029 -11.500 1.00 0.00 C ATOM 2278 ND1 HIS A 145 131.807 7.947 -12.749 1.00 0.00 N ATOM 2279 CD2 HIS A 145 131.573 8.840 -10.774 1.00 0.00 C ATOM 2280 CE1 HIS A 145 130.710 8.677 -12.779 1.00 0.00 C ATOM 2281 NE2 HIS A 145 130.544 9.229 -11.594 1.00 0.00 N ATOM 2282 OXT HIS A 145 132.295 4.881 -11.191 1.00 0.00 O ATOM 0 H HIS A 145 134.819 4.812 -9.779 1.00 0.00 H new ATOM 0 HA HIS A 145 133.249 7.093 -9.040 1.00 0.00 H new ATOM 0 HB2 HIS A 145 134.433 8.052 -10.982 1.00 0.00 H new ATOM 0 HB3 HIS A 145 133.949 6.687 -11.969 1.00 0.00 H new ATOM 0 HD2 HIS A 145 131.714 9.127 -9.742 1.00 0.00 H new ATOM 0 HE1 HIS A 145 130.058 8.802 -13.631 1.00 0.00 H new ATOM 0 HE2 HIS A 145 129.775 9.845 -11.329 1.00 0.00 H new TER 2291 HIS A 145