USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 TYR OH : rot 30:sc= 1.11 USER MOD Set 1.2: A 61 THR OG1 : rot 68:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -1.22 F(o=-2!,f=-1.2) USER MOD Single : A 10 LYS NZ :NH3+ -150:sc= -0.0729 (180deg=-0.492) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 26 SER OG : rot 150:sc= -0.581 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0404 USER MOD Single : A 37 CYS SG : rot 70:sc= -0.88 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0916 K(o=-0.092,f=-0.61) USER MOD Single : A 48 THR OG1 : rot 110:sc= -0.849 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -105:sc= -0.111 (180deg=-1.17) USER MOD Single : A 53 TYR OH : rot 30:sc= -0.461 USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= -0.692 (180deg=-1.04) USER MOD Single : A 58 HIS : no HD1:sc= -8.51! C(o=-8.5!,f=-14!) USER MOD Single : A 64 THR OG1 : rot 102:sc= -4.48! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0915) USER MOD Single : A 70 HIS : no HE2:sc= -6.08 X(o=-6.1,f=-5.8!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.141 USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= 1.31 (180deg=1.21) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.810 -25.343 -7.635 1.00 0.00 N ATOM 2 CA GLY A 1 9.485 -25.786 -7.237 1.00 0.00 C ATOM 3 C GLY A 1 8.443 -24.694 -7.486 1.00 0.00 C ATOM 4 O GLY A 1 7.661 -24.780 -8.431 1.00 0.00 O ATOM 0 H1 GLY A 1 11.498 -26.102 -7.456 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.808 -25.109 -8.648 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.074 -24.500 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.216 -26.684 -7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.490 -26.055 -6.181 1.00 0.00 H new ATOM 8 N SER A 2 8.467 -23.690 -6.621 1.00 0.00 N ATOM 9 CA SER A 2 7.534 -22.582 -6.735 1.00 0.00 C ATOM 10 C SER A 2 6.097 -23.105 -6.733 1.00 0.00 C ATOM 11 O SER A 2 5.499 -23.292 -7.792 1.00 0.00 O ATOM 12 CB SER A 2 7.801 -21.766 -8.002 1.00 0.00 C ATOM 13 OG SER A 2 8.558 -20.590 -7.731 1.00 0.00 O ATOM 0 H SER A 2 9.118 -23.621 -5.839 1.00 0.00 H new ATOM 0 HA SER A 2 7.675 -21.926 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.336 -22.383 -8.724 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.852 -21.488 -8.461 1.00 0.00 H new ATOM 0 HG SER A 2 8.708 -20.098 -8.565 1.00 0.00 H new ATOM 19 N SER A 3 5.583 -23.326 -5.532 1.00 0.00 N ATOM 20 CA SER A 3 4.227 -23.824 -5.379 1.00 0.00 C ATOM 21 C SER A 3 3.753 -23.618 -3.938 1.00 0.00 C ATOM 22 O SER A 3 2.700 -23.027 -3.706 1.00 0.00 O ATOM 23 CB SER A 3 4.136 -25.303 -5.760 1.00 0.00 C ATOM 24 OG SER A 3 3.358 -25.505 -6.937 1.00 0.00 O ATOM 0 H SER A 3 6.081 -23.169 -4.656 1.00 0.00 H new ATOM 0 HA SER A 3 3.579 -23.263 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.139 -25.699 -5.916 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.697 -25.863 -4.935 1.00 0.00 H new ATOM 0 HG SER A 3 3.326 -26.462 -7.148 1.00 0.00 H new ATOM 30 N GLY A 4 4.555 -24.117 -3.009 1.00 0.00 N ATOM 31 CA GLY A 4 4.231 -23.995 -1.598 1.00 0.00 C ATOM 32 C GLY A 4 4.321 -22.538 -1.139 1.00 0.00 C ATOM 33 O GLY A 4 3.331 -21.964 -0.687 1.00 0.00 O ATOM 0 H GLY A 4 5.428 -24.606 -3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.226 -24.375 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.914 -24.608 -1.010 1.00 0.00 H new ATOM 37 N SER A 5 5.516 -21.981 -1.271 1.00 0.00 N ATOM 38 CA SER A 5 5.747 -20.603 -0.876 1.00 0.00 C ATOM 39 C SER A 5 4.831 -19.670 -1.670 1.00 0.00 C ATOM 40 O SER A 5 4.117 -18.853 -1.090 1.00 0.00 O ATOM 41 CB SER A 5 7.211 -20.209 -1.080 1.00 0.00 C ATOM 42 OG SER A 5 8.098 -21.057 -0.355 1.00 0.00 O ATOM 0 H SER A 5 6.335 -22.460 -1.646 1.00 0.00 H new ATOM 0 HA SER A 5 5.518 -20.509 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.454 -20.253 -2.142 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.356 -19.176 -0.763 1.00 0.00 H new ATOM 0 HG SER A 5 9.023 -20.774 -0.513 1.00 0.00 H new ATOM 48 N SER A 6 4.881 -19.822 -2.985 1.00 0.00 N ATOM 49 CA SER A 6 4.065 -19.003 -3.865 1.00 0.00 C ATOM 50 C SER A 6 2.615 -18.994 -3.376 1.00 0.00 C ATOM 51 O SER A 6 2.047 -17.932 -3.126 1.00 0.00 O ATOM 52 CB SER A 6 4.134 -19.507 -5.308 1.00 0.00 C ATOM 53 OG SER A 6 5.457 -19.440 -5.834 1.00 0.00 O ATOM 0 H SER A 6 5.474 -20.501 -3.463 1.00 0.00 H new ATOM 0 HA SER A 6 4.456 -17.986 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.779 -20.537 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.465 -18.914 -5.932 1.00 0.00 H new ATOM 0 HG SER A 6 5.460 -19.772 -6.756 1.00 0.00 H new ATOM 59 N GLY A 7 2.058 -20.190 -3.253 1.00 0.00 N ATOM 60 CA GLY A 7 0.685 -20.333 -2.798 1.00 0.00 C ATOM 61 C GLY A 7 0.525 -19.813 -1.368 1.00 0.00 C ATOM 62 O GLY A 7 -0.582 -19.486 -0.942 1.00 0.00 O ATOM 0 H GLY A 7 2.532 -21.069 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.018 -19.786 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.390 -21.382 -2.843 1.00 0.00 H new ATOM 66 N ASP A 8 1.647 -19.754 -0.664 1.00 0.00 N ATOM 67 CA ASP A 8 1.645 -19.280 0.709 1.00 0.00 C ATOM 68 C ASP A 8 1.540 -17.754 0.717 1.00 0.00 C ATOM 69 O ASP A 8 0.746 -17.186 1.465 1.00 0.00 O ATOM 70 CB ASP A 8 2.938 -19.669 1.428 1.00 0.00 C ATOM 71 CG ASP A 8 2.743 -20.393 2.762 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.591 -20.389 3.247 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.751 -20.935 3.266 1.00 0.00 O ATOM 0 H ASP A 8 2.563 -20.027 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 8 0.797 -19.735 1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.525 -20.307 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.524 -18.767 1.604 1.00 0.00 H new ATOM 78 N GLN A 9 2.354 -17.132 -0.124 1.00 0.00 N ATOM 79 CA GLN A 9 2.363 -15.683 -0.224 1.00 0.00 C ATOM 80 C GLN A 9 1.147 -15.197 -1.014 1.00 0.00 C ATOM 81 O GLN A 9 0.835 -14.007 -1.012 1.00 0.00 O ATOM 82 CB GLN A 9 3.663 -15.185 -0.858 1.00 0.00 C ATOM 83 CG GLN A 9 3.766 -15.628 -2.318 1.00 0.00 C ATOM 84 CD GLN A 9 4.902 -14.896 -3.035 1.00 0.00 C ATOM 85 OE1 GLN A 9 4.563 -13.699 -3.506 1.00 0.00 O flip ATOM 86 NE2 GLN A 9 6.014 -15.385 -3.152 1.00 0.00 N flip ATOM 0 H GLN A 9 3.012 -17.606 -0.743 1.00 0.00 H new ATOM 0 HA GLN A 9 2.306 -15.269 0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.706 -14.097 -0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.515 -15.568 -0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.936 -16.704 -2.364 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.823 -15.432 -2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.208 -16.309 -2.767 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.750 -14.869 -3.635 1.00 0.00 H new ATOM 95 N LYS A 10 0.492 -16.143 -1.671 1.00 0.00 N ATOM 96 CA LYS A 10 -0.684 -15.827 -2.464 1.00 0.00 C ATOM 97 C LYS A 10 -1.836 -15.445 -1.532 1.00 0.00 C ATOM 98 O LYS A 10 -2.556 -14.483 -1.791 1.00 0.00 O ATOM 99 CB LYS A 10 -1.017 -16.980 -3.413 1.00 0.00 C ATOM 100 CG LYS A 10 -1.410 -16.456 -4.796 1.00 0.00 C ATOM 101 CD LYS A 10 -0.174 -16.046 -5.599 1.00 0.00 C ATOM 102 CE LYS A 10 -0.245 -16.584 -7.029 1.00 0.00 C ATOM 103 NZ LYS A 10 -0.224 -18.064 -7.027 1.00 0.00 N ATOM 0 H LYS A 10 0.753 -17.129 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.491 -14.965 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.156 -17.642 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.833 -17.572 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.961 -17.225 -5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.078 -15.602 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.093 -14.959 -5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.724 -16.423 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.154 -16.228 -7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.595 -16.203 -7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.224 -18.406 -7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.317 -18.402 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.198 -18.425 -6.973 1.00 0.00 H new ATOM 117 N LYS A 11 -1.973 -16.220 -0.466 1.00 0.00 N ATOM 118 CA LYS A 11 -3.025 -15.976 0.506 1.00 0.00 C ATOM 119 C LYS A 11 -2.719 -14.685 1.268 1.00 0.00 C ATOM 120 O LYS A 11 -3.622 -13.900 1.553 1.00 0.00 O ATOM 121 CB LYS A 11 -3.211 -17.195 1.412 1.00 0.00 C ATOM 122 CG LYS A 11 -3.870 -18.348 0.651 1.00 0.00 C ATOM 123 CD LYS A 11 -5.379 -18.128 0.522 1.00 0.00 C ATOM 124 CE LYS A 11 -6.063 -19.359 -0.074 1.00 0.00 C ATOM 125 NZ LYS A 11 -7.534 -19.242 0.043 1.00 0.00 N ATOM 0 H LYS A 11 -1.373 -17.017 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.982 -15.832 0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.244 -17.516 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.824 -16.924 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.425 -18.435 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.679 -19.287 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.804 -17.910 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.571 -17.260 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.783 -19.466 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.722 -20.257 0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.983 -20.086 -0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.797 -19.162 1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.857 -18.396 -0.468 1.00 0.00 H new ATOM 139 N PHE A 12 -1.443 -14.506 1.577 1.00 0.00 N ATOM 140 CA PHE A 12 -1.007 -13.323 2.300 1.00 0.00 C ATOM 141 C PHE A 12 -1.236 -12.058 1.472 1.00 0.00 C ATOM 142 O PHE A 12 -1.872 -11.114 1.938 1.00 0.00 O ATOM 143 CB PHE A 12 0.493 -13.485 2.558 1.00 0.00 C ATOM 144 CG PHE A 12 1.194 -12.191 2.978 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.581 -11.291 2.035 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.432 -11.943 4.294 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.232 -10.091 2.424 1.00 0.00 C ATOM 148 CE2 PHE A 12 2.083 -10.742 4.683 1.00 0.00 C ATOM 149 CZ PHE A 12 2.470 -9.842 3.740 1.00 0.00 C ATOM 0 H PHE A 12 -0.697 -15.160 1.340 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.572 -13.224 3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.639 -14.234 3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.968 -13.867 1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.393 -11.489 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.126 -12.659 5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.538 -9.376 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.271 -10.544 5.728 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.966 -8.930 4.036 1.00 0.00 H new ATOM 159 N ILE A 13 -0.706 -12.080 0.258 1.00 0.00 N ATOM 160 CA ILE A 13 -0.845 -10.946 -0.640 1.00 0.00 C ATOM 161 C ILE A 13 -2.331 -10.653 -0.858 1.00 0.00 C ATOM 162 O ILE A 13 -2.763 -9.506 -0.753 1.00 0.00 O ATOM 163 CB ILE A 13 -0.070 -11.190 -1.936 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.232 -9.872 -2.652 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.811 -12.176 -2.841 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.379 -9.127 -1.967 1.00 0.00 C ATOM 0 H ILE A 13 -0.180 -12.865 -0.125 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.405 -10.053 -0.196 1.00 0.00 H new ATOM 0 HB ILE A 13 0.887 -11.644 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.492 -10.070 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.660 -9.246 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.238 -12.332 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.931 -13.127 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.792 -11.773 -3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.574 -8.194 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.106 -8.909 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.276 -9.746 -1.982 1.00 0.00 H new ATOM 178 N ASP A 14 -3.072 -11.709 -1.158 1.00 0.00 N ATOM 179 CA ASP A 14 -4.500 -11.580 -1.391 1.00 0.00 C ATOM 180 C ASP A 14 -5.139 -10.830 -0.220 1.00 0.00 C ATOM 181 O ASP A 14 -5.846 -9.844 -0.421 1.00 0.00 O ATOM 182 CB ASP A 14 -5.168 -12.953 -1.495 1.00 0.00 C ATOM 183 CG ASP A 14 -5.573 -13.370 -2.910 1.00 0.00 C ATOM 184 OD1 ASP A 14 -5.632 -12.468 -3.773 1.00 0.00 O ATOM 185 OD2 ASP A 14 -5.813 -14.583 -3.097 1.00 0.00 O ATOM 0 H ASP A 14 -2.710 -12.659 -1.245 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.641 -11.039 -2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.487 -13.703 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.056 -12.957 -0.863 1.00 0.00 H new ATOM 190 N GLN A 15 -4.866 -11.327 0.978 1.00 0.00 N ATOM 191 CA GLN A 15 -5.405 -10.716 2.181 1.00 0.00 C ATOM 192 C GLN A 15 -5.137 -9.210 2.178 1.00 0.00 C ATOM 193 O GLN A 15 -5.984 -8.425 2.600 1.00 0.00 O ATOM 194 CB GLN A 15 -4.826 -11.374 3.436 1.00 0.00 C ATOM 195 CG GLN A 15 -5.405 -12.775 3.638 1.00 0.00 C ATOM 196 CD GLN A 15 -6.001 -12.926 5.039 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.205 -12.902 5.235 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.094 -13.081 5.999 1.00 0.00 N ATOM 0 H GLN A 15 -4.279 -12.145 1.141 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.484 -10.873 2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.741 -11.434 3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.044 -10.757 4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.174 -12.966 2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.623 -13.520 3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.101 -13.092 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.391 -13.189 6.969 1.00 0.00 H new ATOM 207 N VAL A 16 -3.956 -8.853 1.696 1.00 0.00 N ATOM 208 CA VAL A 16 -3.566 -7.454 1.632 1.00 0.00 C ATOM 209 C VAL A 16 -4.436 -6.733 0.601 1.00 0.00 C ATOM 210 O VAL A 16 -5.002 -5.680 0.889 1.00 0.00 O ATOM 211 CB VAL A 16 -2.069 -7.341 1.335 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.654 -5.880 1.158 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.240 -8.018 2.429 1.00 0.00 C ATOM 0 H VAL A 16 -3.256 -9.508 1.346 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.731 -6.967 2.593 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.874 -7.861 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.586 -5.828 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.209 -5.442 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.871 -5.327 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.180 -7.923 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.443 -7.540 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.506 -9.074 2.486 1.00 0.00 H new ATOM 223 N ILE A 17 -4.516 -7.329 -0.579 1.00 0.00 N ATOM 224 CA ILE A 17 -5.307 -6.757 -1.655 1.00 0.00 C ATOM 225 C ILE A 17 -6.613 -6.202 -1.082 1.00 0.00 C ATOM 226 O ILE A 17 -6.920 -5.024 -1.257 1.00 0.00 O ATOM 227 CB ILE A 17 -5.513 -7.782 -2.772 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.172 -8.317 -3.279 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.361 -7.196 -3.903 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.120 -7.206 -3.325 1.00 0.00 C ATOM 0 H ILE A 17 -4.046 -8.203 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.778 -5.921 -2.114 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.063 -8.629 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.828 -9.122 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.299 -8.744 -4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.493 -7.944 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.336 -6.903 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.859 -6.322 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.177 -7.613 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.456 -6.414 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.977 -6.798 -2.324 1.00 0.00 H new ATOM 242 N GLU A 18 -7.346 -7.077 -0.409 1.00 0.00 N ATOM 243 CA GLU A 18 -8.611 -6.689 0.191 1.00 0.00 C ATOM 244 C GLU A 18 -8.484 -5.317 0.857 1.00 0.00 C ATOM 245 O GLU A 18 -9.276 -4.416 0.586 1.00 0.00 O ATOM 246 CB GLU A 18 -9.089 -7.742 1.193 1.00 0.00 C ATOM 247 CG GLU A 18 -9.569 -9.004 0.474 1.00 0.00 C ATOM 248 CD GLU A 18 -11.097 -9.088 0.475 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.689 -8.642 1.482 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.638 -9.595 -0.531 1.00 0.00 O ATOM 0 H GLU A 18 -7.088 -8.053 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.359 -6.620 -0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.278 -7.994 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.899 -7.333 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.202 -9.004 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.152 -9.885 0.962 1.00 0.00 H new ATOM 257 N LYS A 19 -7.481 -5.202 1.716 1.00 0.00 N ATOM 258 CA LYS A 19 -7.241 -3.955 2.422 1.00 0.00 C ATOM 259 C LYS A 19 -7.117 -2.815 1.409 1.00 0.00 C ATOM 260 O LYS A 19 -7.693 -1.745 1.600 1.00 0.00 O ATOM 261 CB LYS A 19 -6.030 -4.089 3.348 1.00 0.00 C ATOM 262 CG LYS A 19 -6.334 -5.031 4.515 1.00 0.00 C ATOM 263 CD LYS A 19 -5.075 -5.783 4.954 1.00 0.00 C ATOM 264 CE LYS A 19 -5.047 -5.964 6.473 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.341 -7.214 6.833 1.00 0.00 N ATOM 0 H LYS A 19 -6.826 -5.951 1.939 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.084 -3.716 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.177 -4.466 2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.750 -3.108 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.732 -4.460 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.104 -5.744 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.041 -6.758 4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.189 -5.235 4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.550 -5.112 6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.065 -5.990 6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.331 -7.322 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.831 -8.025 6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.364 -7.175 6.480 1.00 0.00 H new ATOM 279 N ILE A 20 -6.362 -3.084 0.353 1.00 0.00 N ATOM 280 CA ILE A 20 -6.156 -2.094 -0.690 1.00 0.00 C ATOM 281 C ILE A 20 -7.505 -1.723 -1.309 1.00 0.00 C ATOM 282 O ILE A 20 -7.885 -0.553 -1.322 1.00 0.00 O ATOM 283 CB ILE A 20 -5.129 -2.595 -1.708 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.727 -2.639 -1.097 1.00 0.00 C ATOM 285 CG2 ILE A 20 -5.171 -1.757 -2.987 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.858 -3.688 -1.794 1.00 0.00 C ATOM 0 H ILE A 20 -5.886 -3.973 0.198 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.736 -1.180 -0.270 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.392 -3.616 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.258 -1.659 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.797 -2.868 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.432 -2.134 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.164 -1.822 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.947 -0.717 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.867 -3.699 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.317 -4.671 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.770 -3.443 -2.852 1.00 0.00 H new ATOM 298 N GLU A 21 -8.192 -2.740 -1.807 1.00 0.00 N ATOM 299 CA GLU A 21 -9.490 -2.535 -2.426 1.00 0.00 C ATOM 300 C GLU A 21 -10.340 -1.589 -1.576 1.00 0.00 C ATOM 301 O GLU A 21 -10.788 -0.549 -2.057 1.00 0.00 O ATOM 302 CB GLU A 21 -10.209 -3.868 -2.647 1.00 0.00 C ATOM 303 CG GLU A 21 -9.709 -4.556 -3.919 1.00 0.00 C ATOM 304 CD GLU A 21 -10.706 -4.379 -5.066 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.091 -3.215 -5.309 1.00 0.00 O ATOM 306 OE2 GLU A 21 -11.060 -5.412 -5.675 1.00 0.00 O ATOM 0 H GLU A 21 -7.874 -3.709 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.336 -2.076 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.046 -4.520 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.283 -3.698 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.743 -4.141 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.556 -5.618 -3.726 1.00 0.00 H new ATOM 313 N ASP A 22 -10.536 -1.983 -0.326 1.00 0.00 N ATOM 314 CA ASP A 22 -11.325 -1.182 0.595 1.00 0.00 C ATOM 315 C ASP A 22 -10.803 0.256 0.590 1.00 0.00 C ATOM 316 O ASP A 22 -11.571 1.198 0.400 1.00 0.00 O ATOM 317 CB ASP A 22 -11.215 -1.719 2.024 1.00 0.00 C ATOM 318 CG ASP A 22 -12.534 -1.772 2.798 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.017 -0.681 3.170 1.00 0.00 O ATOM 320 OD2 ASP A 22 -13.028 -2.902 3.000 1.00 0.00 O ATOM 0 H ASP A 22 -10.162 -2.845 0.070 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.365 -1.223 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.792 -2.723 1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.511 -1.097 2.577 1.00 0.00 H new ATOM 325 N PHE A 23 -9.501 0.380 0.801 1.00 0.00 N ATOM 326 CA PHE A 23 -8.867 1.688 0.823 1.00 0.00 C ATOM 327 C PHE A 23 -9.158 2.459 -0.466 1.00 0.00 C ATOM 328 O PHE A 23 -9.397 3.665 -0.431 1.00 0.00 O ATOM 329 CB PHE A 23 -7.360 1.452 0.933 1.00 0.00 C ATOM 330 CG PHE A 23 -6.510 2.552 0.292 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.711 3.853 0.633 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.554 2.227 -0.619 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.922 4.873 0.038 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.765 3.247 -1.214 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.966 4.548 -0.873 1.00 0.00 C ATOM 0 H PHE A 23 -8.867 -0.404 0.958 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.249 2.273 1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.092 1.367 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.117 0.499 0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.471 4.111 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.395 1.194 -0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.081 5.906 0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.005 2.989 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.366 5.324 -1.326 1.00 0.00 H new ATOM 345 N LEU A 24 -9.129 1.732 -1.573 1.00 0.00 N ATOM 346 CA LEU A 24 -9.387 2.333 -2.870 1.00 0.00 C ATOM 347 C LEU A 24 -10.852 2.766 -2.945 1.00 0.00 C ATOM 348 O LEU A 24 -11.165 3.816 -3.504 1.00 0.00 O ATOM 349 CB LEU A 24 -8.968 1.382 -3.994 1.00 0.00 C ATOM 350 CG LEU A 24 -7.491 0.985 -4.022 1.00 0.00 C ATOM 351 CD1 LEU A 24 -7.261 -0.207 -4.952 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.609 2.180 -4.391 1.00 0.00 C ATOM 0 H LEU A 24 -8.931 0.732 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.782 3.230 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.566 0.474 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.217 1.847 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.203 0.670 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.203 -0.469 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.845 -1.059 -4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.571 0.055 -5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.564 1.871 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.890 2.549 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.744 2.973 -3.655 1.00 0.00 H new ATOM 364 N GLN A 25 -11.711 1.935 -2.374 1.00 0.00 N ATOM 365 CA GLN A 25 -13.136 2.219 -2.368 1.00 0.00 C ATOM 366 C GLN A 25 -13.408 3.559 -1.681 1.00 0.00 C ATOM 367 O GLN A 25 -13.971 4.469 -2.288 1.00 0.00 O ATOM 368 CB GLN A 25 -13.918 1.089 -1.695 1.00 0.00 C ATOM 369 CG GLN A 25 -14.028 -0.127 -2.617 1.00 0.00 C ATOM 370 CD GLN A 25 -15.367 -0.136 -3.356 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.954 0.895 -3.644 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.817 -1.353 -3.646 1.00 0.00 N ATOM 0 H GLN A 25 -11.448 1.065 -1.912 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.477 2.287 -3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.424 0.802 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.915 1.440 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.211 -0.116 -3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.925 -1.041 -2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.276 -2.175 -3.376 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.703 -1.465 -4.138 1.00 0.00 H new ATOM 381 N SER A 26 -12.995 3.638 -0.425 1.00 0.00 N ATOM 382 CA SER A 26 -13.186 4.851 0.351 1.00 0.00 C ATOM 383 C SER A 26 -12.704 6.064 -0.446 1.00 0.00 C ATOM 384 O SER A 26 -11.745 5.968 -1.210 1.00 0.00 O ATOM 385 CB SER A 26 -12.451 4.770 1.691 1.00 0.00 C ATOM 386 OG SER A 26 -13.136 5.481 2.719 1.00 0.00 O ATOM 0 H SER A 26 -12.529 2.881 0.075 1.00 0.00 H new ATOM 0 HA SER A 26 -14.251 4.960 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.343 3.725 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.445 5.175 1.578 1.00 0.00 H new ATOM 0 HG SER A 26 -12.962 5.054 3.584 1.00 0.00 H new ATOM 392 N GLU A 27 -13.391 7.178 -0.242 1.00 0.00 N ATOM 393 CA GLU A 27 -13.045 8.409 -0.932 1.00 0.00 C ATOM 394 C GLU A 27 -12.073 9.236 -0.088 1.00 0.00 C ATOM 395 O GLU A 27 -10.959 9.523 -0.522 1.00 0.00 O ATOM 396 CB GLU A 27 -14.299 9.217 -1.275 1.00 0.00 C ATOM 397 CG GLU A 27 -14.674 9.048 -2.748 1.00 0.00 C ATOM 398 CD GLU A 27 -16.079 9.590 -3.021 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.373 10.689 -2.504 1.00 0.00 O ATOM 400 OE2 GLU A 27 -16.826 8.893 -3.741 1.00 0.00 O ATOM 0 H GLU A 27 -14.186 7.254 0.392 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.552 8.151 -1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.128 8.893 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.127 10.271 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.951 9.571 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.628 7.994 -3.020 1.00 0.00 H new ATOM 407 N GLU A 28 -12.531 9.595 1.102 1.00 0.00 N ATOM 408 CA GLU A 28 -11.716 10.384 2.011 1.00 0.00 C ATOM 409 C GLU A 28 -10.302 9.805 2.092 1.00 0.00 C ATOM 410 O GLU A 28 -9.320 10.538 1.981 1.00 0.00 O ATOM 411 CB GLU A 28 -12.358 10.460 3.397 1.00 0.00 C ATOM 412 CG GLU A 28 -12.681 11.908 3.773 1.00 0.00 C ATOM 413 CD GLU A 28 -14.040 12.004 4.470 1.00 0.00 C ATOM 414 OE1 GLU A 28 -14.368 11.049 5.207 1.00 0.00 O ATOM 415 OE2 GLU A 28 -14.719 13.029 4.251 1.00 0.00 O ATOM 0 H GLU A 28 -13.456 9.354 1.458 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.650 11.400 1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.271 9.864 3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.684 10.030 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.903 12.299 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.683 12.528 2.877 1.00 0.00 H new ATOM 422 N LYS A 29 -10.243 8.496 2.287 1.00 0.00 N ATOM 423 CA LYS A 29 -8.965 7.811 2.385 1.00 0.00 C ATOM 424 C LYS A 29 -7.999 8.392 1.351 1.00 0.00 C ATOM 425 O LYS A 29 -8.315 8.448 0.163 1.00 0.00 O ATOM 426 CB LYS A 29 -9.158 6.298 2.264 1.00 0.00 C ATOM 427 CG LYS A 29 -9.957 5.751 3.449 1.00 0.00 C ATOM 428 CD LYS A 29 -9.815 4.231 3.551 1.00 0.00 C ATOM 429 CE LYS A 29 -9.837 3.775 5.011 1.00 0.00 C ATOM 430 NZ LYS A 29 -10.396 2.409 5.120 1.00 0.00 N ATOM 0 H LYS A 29 -11.059 7.891 2.380 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.519 7.975 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.677 6.067 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.186 5.806 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.609 6.215 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.009 6.015 3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.625 3.749 3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.882 3.917 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.827 3.794 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.434 4.467 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.403 2.116 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.368 2.401 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.810 1.749 4.569 1.00 0.00 H new ATOM 444 N ARG A 30 -6.841 8.810 1.839 1.00 0.00 N ATOM 445 CA ARG A 30 -5.826 9.385 0.972 1.00 0.00 C ATOM 446 C ARG A 30 -4.597 8.476 0.917 1.00 0.00 C ATOM 447 O ARG A 30 -3.938 8.379 -0.116 1.00 0.00 O ATOM 448 CB ARG A 30 -5.405 10.772 1.462 1.00 0.00 C ATOM 449 CG ARG A 30 -5.672 11.835 0.394 1.00 0.00 C ATOM 450 CD ARG A 30 -6.825 12.751 0.810 1.00 0.00 C ATOM 451 NE ARG A 30 -6.328 14.131 1.009 1.00 0.00 N ATOM 452 CZ ARG A 30 -6.112 15.003 0.014 1.00 0.00 C ATOM 453 NH1 ARG A 30 -6.348 14.643 -1.255 1.00 0.00 N ATOM 454 NH2 ARG A 30 -5.660 16.234 0.288 1.00 0.00 N ATOM 0 H ARG A 30 -6.582 8.762 2.825 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.256 9.479 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.950 11.021 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.345 10.765 1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.772 12.428 0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.910 11.352 -0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.602 12.742 0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.279 12.383 1.730 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.138 14.438 1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.692 13.706 -1.464 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.184 15.306 -2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.480 16.508 1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.496 16.897 -0.469 1.00 0.00 H new ATOM 468 N SER A 31 -4.327 7.832 2.043 1.00 0.00 N ATOM 469 CA SER A 31 -3.189 6.933 2.137 1.00 0.00 C ATOM 470 C SER A 31 -3.516 5.769 3.074 1.00 0.00 C ATOM 471 O SER A 31 -4.095 5.971 4.141 1.00 0.00 O ATOM 472 CB SER A 31 -1.942 7.673 2.625 1.00 0.00 C ATOM 473 OG SER A 31 -2.014 9.072 2.363 1.00 0.00 O ATOM 0 H SER A 31 -4.877 7.915 2.898 1.00 0.00 H new ATOM 0 HA SER A 31 -2.980 6.541 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.820 7.511 3.696 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.060 7.258 2.137 1.00 0.00 H new ATOM 0 HG SER A 31 -1.200 9.509 2.691 1.00 0.00 H new ATOM 479 N LEU A 32 -3.132 4.577 2.642 1.00 0.00 N ATOM 480 CA LEU A 32 -3.377 3.381 3.429 1.00 0.00 C ATOM 481 C LEU A 32 -2.080 2.954 4.119 1.00 0.00 C ATOM 482 O LEU A 32 -0.989 3.247 3.632 1.00 0.00 O ATOM 483 CB LEU A 32 -4.001 2.286 2.561 1.00 0.00 C ATOM 484 CG LEU A 32 -4.466 1.029 3.298 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.684 1.326 4.174 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.730 -0.115 2.317 1.00 0.00 C ATOM 0 H LEU A 32 -2.653 4.414 1.757 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.104 3.586 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.855 2.711 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.274 1.991 1.804 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.664 0.705 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.994 0.415 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.426 2.087 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.501 1.687 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.059 -0.997 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.505 0.183 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.814 -0.347 1.774 1.00 0.00 H new ATOM 498 N GLU A 33 -2.242 2.270 5.242 1.00 0.00 N ATOM 499 CA GLU A 33 -1.097 1.800 6.003 1.00 0.00 C ATOM 500 C GLU A 33 -1.181 0.286 6.209 1.00 0.00 C ATOM 501 O GLU A 33 -2.125 -0.209 6.823 1.00 0.00 O ATOM 502 CB GLU A 33 -0.993 2.531 7.344 1.00 0.00 C ATOM 503 CG GLU A 33 -1.366 4.007 7.194 1.00 0.00 C ATOM 504 CD GLU A 33 -1.440 4.695 8.559 1.00 0.00 C ATOM 505 OE1 GLU A 33 -1.110 4.016 9.555 1.00 0.00 O ATOM 506 OE2 GLU A 33 -1.826 5.883 8.575 1.00 0.00 O ATOM 0 H GLU A 33 -3.149 2.030 5.643 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.193 2.020 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.652 2.058 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.023 2.446 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.629 4.510 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.327 4.093 6.687 1.00 0.00 H new ATOM 513 N LEU A 34 -0.181 -0.406 5.684 1.00 0.00 N ATOM 514 CA LEU A 34 -0.131 -1.854 5.802 1.00 0.00 C ATOM 515 C LEU A 34 0.747 -2.233 6.996 1.00 0.00 C ATOM 516 O LEU A 34 1.359 -1.368 7.621 1.00 0.00 O ATOM 517 CB LEU A 34 0.320 -2.484 4.482 1.00 0.00 C ATOM 518 CG LEU A 34 -0.755 -2.621 3.403 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.138 -3.023 2.062 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.853 -3.591 3.842 1.00 0.00 C ATOM 0 H LEU A 34 0.601 0.008 5.176 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.126 -2.255 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.138 -1.887 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.722 -3.475 4.694 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.224 -1.647 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.924 -3.114 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.577 -2.263 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.373 -3.980 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.604 -3.670 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.418 -4.573 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.320 -3.222 4.755 1.00 0.00 H new ATOM 532 N ASP A 35 0.782 -3.528 7.277 1.00 0.00 N ATOM 533 CA ASP A 35 1.575 -4.032 8.385 1.00 0.00 C ATOM 534 C ASP A 35 3.048 -4.080 7.972 1.00 0.00 C ATOM 535 O ASP A 35 3.361 -4.230 6.792 1.00 0.00 O ATOM 536 CB ASP A 35 1.145 -5.449 8.770 1.00 0.00 C ATOM 537 CG ASP A 35 -0.073 -5.527 9.692 1.00 0.00 C ATOM 538 OD1 ASP A 35 0.027 -4.977 10.811 1.00 0.00 O ATOM 539 OD2 ASP A 35 -1.075 -6.134 9.259 1.00 0.00 O ATOM 0 H ASP A 35 0.274 -4.243 6.756 1.00 0.00 H new ATOM 0 HA ASP A 35 1.427 -3.367 9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.929 -6.007 7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.983 -5.947 9.257 1.00 0.00 H new ATOM 544 N PRO A 36 3.936 -3.948 8.993 1.00 0.00 N ATOM 545 CA PRO A 36 5.368 -3.976 8.749 1.00 0.00 C ATOM 546 C PRO A 36 5.849 -5.401 8.469 1.00 0.00 C ATOM 547 O PRO A 36 5.807 -6.258 9.350 1.00 0.00 O ATOM 548 CB PRO A 36 5.992 -3.372 9.996 1.00 0.00 C ATOM 549 CG PRO A 36 4.927 -3.458 11.078 1.00 0.00 C ATOM 550 CD PRO A 36 3.601 -3.770 10.403 1.00 0.00 C ATOM 0 HA PRO A 36 5.655 -3.410 7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.890 -3.918 10.287 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.290 -2.338 9.822 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.179 -4.234 11.801 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.864 -2.519 11.627 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.147 -4.669 10.819 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.886 -2.959 10.541 1.00 0.00 H new ATOM 558 N CYS A 37 6.295 -5.610 7.239 1.00 0.00 N ATOM 559 CA CYS A 37 6.784 -6.916 6.832 1.00 0.00 C ATOM 560 C CYS A 37 8.145 -7.146 7.491 1.00 0.00 C ATOM 561 O CYS A 37 8.761 -6.209 7.995 1.00 0.00 O ATOM 562 CB CYS A 37 6.858 -7.043 5.309 1.00 0.00 C ATOM 563 SG CYS A 37 5.181 -7.281 4.618 1.00 0.00 S ATOM 0 H CYS A 37 6.328 -4.896 6.511 1.00 0.00 H new ATOM 0 HA CYS A 37 6.087 -7.687 7.161 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.312 -6.148 4.883 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.495 -7.884 5.037 1.00 0.00 H new ATOM 0 HG CYS A 37 4.501 -6.180 4.741 1.00 0.00 H new ATOM 569 N THR A 38 8.574 -8.400 7.466 1.00 0.00 N ATOM 570 CA THR A 38 9.851 -8.765 8.055 1.00 0.00 C ATOM 571 C THR A 38 10.978 -8.590 7.036 1.00 0.00 C ATOM 572 O THR A 38 12.105 -8.258 7.401 1.00 0.00 O ATOM 573 CB THR A 38 9.733 -10.193 8.592 1.00 0.00 C ATOM 574 OG1 THR A 38 11.081 -10.584 8.836 1.00 0.00 O ATOM 575 CG2 THR A 38 9.246 -11.180 7.529 1.00 0.00 C ATOM 0 H THR A 38 8.060 -9.175 7.047 1.00 0.00 H new ATOM 0 HA THR A 38 10.104 -8.109 8.888 1.00 0.00 H new ATOM 0 HB THR A 38 9.049 -10.206 9.440 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.098 -11.498 9.188 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.180 -12.178 7.962 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.263 -10.874 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.948 -11.192 6.695 1.00 0.00 H new ATOM 583 N GLY A 39 10.636 -8.822 5.777 1.00 0.00 N ATOM 584 CA GLY A 39 11.604 -8.694 4.702 1.00 0.00 C ATOM 585 C GLY A 39 11.053 -9.268 3.395 1.00 0.00 C ATOM 586 O GLY A 39 10.620 -8.522 2.519 1.00 0.00 O ATOM 0 H GLY A 39 9.701 -9.098 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.861 -7.644 4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.523 -9.213 4.972 1.00 0.00 H new ATOM 590 N PHE A 40 11.086 -10.590 3.306 1.00 0.00 N ATOM 591 CA PHE A 40 10.594 -11.273 2.121 1.00 0.00 C ATOM 592 C PHE A 40 9.200 -10.772 1.739 1.00 0.00 C ATOM 593 O PHE A 40 9.013 -10.207 0.663 1.00 0.00 O ATOM 594 CB PHE A 40 10.513 -12.761 2.465 1.00 0.00 C ATOM 595 CG PHE A 40 10.442 -13.679 1.242 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.276 -13.473 0.189 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.544 -14.700 1.210 1.00 0.00 C ATOM 598 CE1 PHE A 40 11.211 -14.325 -0.946 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.478 -15.552 0.076 1.00 0.00 C ATOM 600 CZ PHE A 40 10.313 -15.346 -0.978 1.00 0.00 C ATOM 0 H PHE A 40 11.446 -11.206 4.035 1.00 0.00 H new ATOM 0 HA PHE A 40 11.261 -11.086 1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.384 -13.034 3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.634 -12.932 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.988 -12.662 0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.881 -14.863 2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.874 -14.162 -1.783 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.765 -16.363 0.050 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.263 -15.994 -1.841 1.00 0.00 H new ATOM 610 N GLN A 41 8.257 -10.998 2.642 1.00 0.00 N ATOM 611 CA GLN A 41 6.885 -10.578 2.413 1.00 0.00 C ATOM 612 C GLN A 41 6.854 -9.163 1.831 1.00 0.00 C ATOM 613 O GLN A 41 6.169 -8.910 0.841 1.00 0.00 O ATOM 614 CB GLN A 41 6.065 -10.659 3.702 1.00 0.00 C ATOM 615 CG GLN A 41 5.419 -12.037 3.855 1.00 0.00 C ATOM 616 CD GLN A 41 5.101 -12.334 5.322 1.00 0.00 C ATOM 617 OE1 GLN A 41 5.454 -11.590 6.223 1.00 0.00 O ATOM 618 NE2 GLN A 41 4.417 -13.458 5.511 1.00 0.00 N ATOM 0 H GLN A 41 8.416 -11.467 3.534 1.00 0.00 H new ATOM 0 HA GLN A 41 6.433 -11.257 1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.707 -10.457 4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.293 -9.890 3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.504 -12.081 3.265 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.089 -12.802 3.462 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.153 -14.035 4.712 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.156 -13.744 6.455 1.00 0.00 H new ATOM 627 N ARG A 42 7.604 -8.278 2.470 1.00 0.00 N ATOM 628 CA ARG A 42 7.671 -6.895 2.028 1.00 0.00 C ATOM 629 C ARG A 42 7.902 -6.832 0.517 1.00 0.00 C ATOM 630 O ARG A 42 7.171 -6.148 -0.198 1.00 0.00 O ATOM 631 CB ARG A 42 8.797 -6.143 2.741 1.00 0.00 C ATOM 632 CG ARG A 42 8.441 -4.666 2.920 1.00 0.00 C ATOM 633 CD ARG A 42 9.645 -3.870 3.427 1.00 0.00 C ATOM 634 NE ARG A 42 9.574 -3.725 4.898 1.00 0.00 N ATOM 635 CZ ARG A 42 10.609 -3.364 5.669 1.00 0.00 C ATOM 636 NH1 ARG A 42 11.801 -3.108 5.113 1.00 0.00 N ATOM 637 NH2 ARG A 42 10.452 -3.259 6.995 1.00 0.00 N ATOM 0 H ARG A 42 8.171 -8.491 3.291 1.00 0.00 H new ATOM 0 HA ARG A 42 6.721 -6.421 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.983 -6.597 3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.719 -6.232 2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.101 -4.253 1.971 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.614 -4.570 3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.569 -4.376 3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.665 -2.887 2.957 1.00 0.00 H new ATOM 0 HE ARG A 42 8.681 -3.912 5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.920 -3.188 4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.589 -2.833 5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.545 -3.454 7.418 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.240 -2.984 7.582 1.00 0.00 H new ATOM 651 N LYS A 43 8.921 -7.554 0.075 1.00 0.00 N ATOM 652 CA LYS A 43 9.257 -7.588 -1.338 1.00 0.00 C ATOM 653 C LYS A 43 8.049 -8.085 -2.133 1.00 0.00 C ATOM 654 O LYS A 43 7.762 -7.576 -3.216 1.00 0.00 O ATOM 655 CB LYS A 43 10.525 -8.413 -1.567 1.00 0.00 C ATOM 656 CG LYS A 43 11.738 -7.747 -0.914 1.00 0.00 C ATOM 657 CD LYS A 43 12.994 -7.937 -1.767 1.00 0.00 C ATOM 658 CE LYS A 43 12.946 -7.057 -3.017 1.00 0.00 C ATOM 659 NZ LYS A 43 13.701 -7.686 -4.124 1.00 0.00 N ATOM 0 H LYS A 43 9.525 -8.120 0.671 1.00 0.00 H new ATOM 0 HA LYS A 43 9.487 -6.586 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.391 -9.414 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.700 -8.527 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.544 -6.683 -0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.900 -8.170 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.878 -7.691 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.085 -8.983 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.910 -6.900 -3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.365 -6.076 -2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.658 -7.075 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.693 -7.814 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.283 -8.612 -4.347 1.00 0.00 H new ATOM 673 N LEU A 44 7.372 -9.073 -1.566 1.00 0.00 N ATOM 674 CA LEU A 44 6.201 -9.644 -2.208 1.00 0.00 C ATOM 675 C LEU A 44 5.192 -8.532 -2.501 1.00 0.00 C ATOM 676 O LEU A 44 4.839 -8.296 -3.655 1.00 0.00 O ATOM 677 CB LEU A 44 5.631 -10.786 -1.365 1.00 0.00 C ATOM 678 CG LEU A 44 6.630 -11.855 -0.920 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.949 -12.916 -0.054 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.346 -12.471 -2.124 1.00 0.00 C ATOM 0 H LEU A 44 7.613 -9.493 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 44 6.471 -10.090 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.167 -10.358 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.839 -11.272 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 44 7.390 -11.376 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.682 -13.664 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.524 -12.445 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.155 -13.397 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.051 -13.228 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.613 -12.932 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.885 -11.693 -2.664 1.00 0.00 H new ATOM 692 N ILE A 45 4.756 -7.877 -1.435 1.00 0.00 N ATOM 693 CA ILE A 45 3.794 -6.795 -1.562 1.00 0.00 C ATOM 694 C ILE A 45 4.180 -5.913 -2.751 1.00 0.00 C ATOM 695 O ILE A 45 3.425 -5.797 -3.715 1.00 0.00 O ATOM 696 CB ILE A 45 3.670 -6.030 -0.243 1.00 0.00 C ATOM 697 CG1 ILE A 45 3.034 -6.905 0.840 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.909 -4.718 -0.440 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.016 -6.181 2.188 1.00 0.00 C ATOM 0 H ILE A 45 5.051 -8.075 -0.479 1.00 0.00 H new ATOM 0 HA ILE A 45 2.800 -7.191 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 45 4.673 -5.772 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.016 -7.167 0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.590 -7.838 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.835 -4.194 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.441 -4.093 -1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.908 -4.931 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.559 -6.824 2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.037 -5.942 2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.439 -5.260 2.099 1.00 0.00 H new ATOM 711 N TYR A 46 5.357 -5.313 -2.644 1.00 0.00 N ATOM 712 CA TYR A 46 5.853 -4.444 -3.698 1.00 0.00 C ATOM 713 C TYR A 46 5.806 -5.148 -5.055 1.00 0.00 C ATOM 714 O TYR A 46 5.406 -4.551 -6.054 1.00 0.00 O ATOM 715 CB TYR A 46 7.310 -4.141 -3.344 1.00 0.00 C ATOM 716 CG TYR A 46 7.488 -2.935 -2.420 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.292 -1.658 -2.906 1.00 0.00 C ATOM 718 CD2 TYR A 46 7.844 -3.123 -1.100 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.460 -0.523 -2.037 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.012 -1.988 -0.230 1.00 0.00 C ATOM 721 CZ TYR A 46 7.812 -0.744 -0.741 1.00 0.00 C ATOM 722 OH TYR A 46 7.970 0.329 0.080 1.00 0.00 O ATOM 0 H TYR A 46 5.981 -5.412 -1.844 1.00 0.00 H new ATOM 0 HA TYR A 46 5.245 -3.542 -3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.747 -5.018 -2.868 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.868 -3.966 -4.264 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.012 -1.510 -3.939 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.997 -4.122 -0.719 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.310 0.481 -2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.291 -2.122 0.805 1.00 0.00 H new ATOM 0 HH TYR A 46 7.378 1.054 -0.211 1.00 0.00 H new ATOM 732 N GLN A 47 6.220 -6.406 -5.048 1.00 0.00 N ATOM 733 CA GLN A 47 6.230 -7.198 -6.267 1.00 0.00 C ATOM 734 C GLN A 47 4.827 -7.255 -6.874 1.00 0.00 C ATOM 735 O GLN A 47 4.641 -6.942 -8.049 1.00 0.00 O ATOM 736 CB GLN A 47 6.771 -8.604 -6.003 1.00 0.00 C ATOM 737 CG GLN A 47 8.029 -8.872 -6.833 1.00 0.00 C ATOM 738 CD GLN A 47 7.919 -10.201 -7.582 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.300 -11.150 -7.128 1.00 0.00 O ATOM 740 NE2 GLN A 47 8.551 -10.217 -8.752 1.00 0.00 N ATOM 0 H GLN A 47 6.551 -6.897 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 47 6.896 -6.717 -6.984 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.999 -8.717 -4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.007 -9.343 -6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.179 -8.061 -7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.902 -8.889 -6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.051 -9.388 -9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.536 -11.058 -9.328 1.00 0.00 H new ATOM 749 N THR A 48 3.874 -7.658 -6.046 1.00 0.00 N ATOM 750 CA THR A 48 2.493 -7.761 -6.486 1.00 0.00 C ATOM 751 C THR A 48 1.986 -6.402 -6.972 1.00 0.00 C ATOM 752 O THR A 48 1.630 -6.249 -8.139 1.00 0.00 O ATOM 753 CB THR A 48 1.671 -8.340 -5.333 1.00 0.00 C ATOM 754 OG1 THR A 48 2.002 -9.726 -5.332 1.00 0.00 O ATOM 755 CG2 THR A 48 0.168 -8.316 -5.616 1.00 0.00 C ATOM 0 H THR A 48 4.031 -7.917 -5.072 1.00 0.00 H new ATOM 0 HA THR A 48 2.399 -8.432 -7.340 1.00 0.00 H new ATOM 0 HB THR A 48 1.878 -7.778 -4.422 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.542 -9.933 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.369 -8.738 -4.766 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.156 -7.288 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.044 -8.906 -6.508 1.00 0.00 H new ATOM 763 N LEU A 49 1.969 -5.449 -6.052 1.00 0.00 N ATOM 764 CA LEU A 49 1.512 -4.107 -6.371 1.00 0.00 C ATOM 765 C LEU A 49 2.231 -3.614 -7.628 1.00 0.00 C ATOM 766 O LEU A 49 1.738 -2.725 -8.322 1.00 0.00 O ATOM 767 CB LEU A 49 1.678 -3.182 -5.164 1.00 0.00 C ATOM 768 CG LEU A 49 1.075 -3.680 -3.849 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.289 -2.662 -2.728 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.403 -4.037 -4.025 1.00 0.00 C ATOM 0 H LEU A 49 2.265 -5.580 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 49 0.445 -4.111 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.743 -3.007 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.228 -2.219 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 49 1.595 -4.593 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.851 -3.040 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.357 -2.499 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.812 -1.720 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.808 -4.388 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.954 -3.155 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.501 -4.823 -4.774 1.00 0.00 H new ATOM 782 N SER A 50 3.385 -4.211 -7.884 1.00 0.00 N ATOM 783 CA SER A 50 4.177 -3.844 -9.045 1.00 0.00 C ATOM 784 C SER A 50 3.328 -3.952 -10.314 1.00 0.00 C ATOM 785 O SER A 50 3.397 -3.088 -11.186 1.00 0.00 O ATOM 786 CB SER A 50 5.423 -4.724 -9.164 1.00 0.00 C ATOM 787 OG SER A 50 6.498 -4.044 -9.806 1.00 0.00 O ATOM 0 H SER A 50 3.791 -4.947 -7.307 1.00 0.00 H new ATOM 0 HA SER A 50 4.505 -2.812 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.738 -5.043 -8.170 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.178 -5.626 -9.725 1.00 0.00 H new ATOM 0 HG SER A 50 7.275 -4.639 -9.861 1.00 0.00 H new ATOM 793 N TRP A 51 2.548 -5.021 -10.375 1.00 0.00 N ATOM 794 CA TRP A 51 1.686 -5.254 -11.522 1.00 0.00 C ATOM 795 C TRP A 51 0.237 -5.067 -11.070 1.00 0.00 C ATOM 796 O TRP A 51 -0.610 -4.638 -11.852 1.00 0.00 O ATOM 797 CB TRP A 51 1.949 -6.631 -12.134 1.00 0.00 C ATOM 798 CG TRP A 51 2.068 -7.757 -11.105 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.182 -8.241 -10.538 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.984 -8.525 -10.541 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.896 -9.261 -9.652 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.517 -9.438 -9.655 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.400 -8.449 -10.772 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.737 -10.346 -8.928 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.166 -9.363 -10.038 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.645 -10.290 -9.142 1.00 0.00 C ATOM 0 H TRP A 51 2.495 -5.736 -9.649 1.00 0.00 H new ATOM 0 HA TRP A 51 1.898 -4.538 -12.316 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.142 -6.870 -12.827 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.868 -6.588 -12.718 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.178 -7.879 -10.748 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.572 -9.787 -9.098 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.838 -7.742 -11.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.178 -11.051 -8.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.237 -9.347 -10.178 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.304 -10.964 -8.614 1.00 0.00 H new ATOM 817 N LYS A 52 -0.004 -5.398 -9.810 1.00 0.00 N ATOM 818 CA LYS A 52 -1.337 -5.272 -9.245 1.00 0.00 C ATOM 819 C LYS A 52 -1.780 -3.809 -9.316 1.00 0.00 C ATOM 820 O LYS A 52 -2.942 -3.522 -9.599 1.00 0.00 O ATOM 821 CB LYS A 52 -1.378 -5.859 -7.832 1.00 0.00 C ATOM 822 CG LYS A 52 -1.843 -7.316 -7.857 1.00 0.00 C ATOM 823 CD LYS A 52 -2.752 -7.622 -6.665 1.00 0.00 C ATOM 824 CE LYS A 52 -4.223 -7.636 -7.087 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.799 -8.987 -6.911 1.00 0.00 N ATOM 0 H LYS A 52 0.701 -5.753 -9.164 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.054 -5.851 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.388 -5.797 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.051 -5.270 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.377 -7.515 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.977 -7.978 -7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.484 -8.588 -6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.600 -6.875 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.785 -6.915 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.312 -7.329 -8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.902 -9.444 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.169 -9.558 -6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.732 -8.910 -6.458 1.00 0.00 H new ATOM 839 N TYR A 53 -0.831 -2.923 -9.054 1.00 0.00 N ATOM 840 CA TYR A 53 -1.109 -1.497 -9.085 1.00 0.00 C ATOM 841 C TYR A 53 0.153 -0.700 -9.423 1.00 0.00 C ATOM 842 O TYR A 53 0.795 -0.141 -8.535 1.00 0.00 O ATOM 843 CB TYR A 53 -1.569 -1.127 -7.674 1.00 0.00 C ATOM 844 CG TYR A 53 -2.692 -2.015 -7.133 1.00 0.00 C ATOM 845 CD1 TYR A 53 -4.008 -1.718 -7.425 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.388 -3.112 -6.353 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.064 -2.554 -6.915 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.445 -3.948 -5.844 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.730 -3.627 -6.150 1.00 0.00 C ATOM 850 OH TYR A 53 -5.728 -4.416 -5.668 1.00 0.00 O ATOM 0 H TYR A 53 0.132 -3.165 -8.819 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.858 -1.268 -9.843 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.716 -1.185 -6.998 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.907 -0.091 -7.673 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.246 -0.859 -8.035 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.358 -3.344 -6.124 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.098 -2.333 -7.135 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.222 -4.810 -5.233 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.486 -4.401 -6.289 1.00 0.00 H new ATOM 860 N PRO A 54 0.478 -0.671 -10.743 1.00 0.00 N ATOM 861 CA PRO A 54 1.652 0.048 -11.209 1.00 0.00 C ATOM 862 C PRO A 54 1.407 1.559 -11.201 1.00 0.00 C ATOM 863 O PRO A 54 2.225 2.321 -10.688 1.00 0.00 O ATOM 864 CB PRO A 54 1.924 -0.502 -12.599 1.00 0.00 C ATOM 865 CG PRO A 54 0.632 -1.167 -13.045 1.00 0.00 C ATOM 866 CD PRO A 54 -0.258 -1.321 -11.823 1.00 0.00 C ATOM 0 HA PRO A 54 2.518 -0.095 -10.563 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.210 0.295 -13.285 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.746 -1.218 -12.582 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.135 -0.565 -13.806 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.838 -2.139 -13.493 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.229 -0.851 -11.979 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.444 -2.371 -11.599 1.00 0.00 H new ATOM 874 N LYS A 55 0.278 1.946 -11.776 1.00 0.00 N ATOM 875 CA LYS A 55 -0.084 3.352 -11.841 1.00 0.00 C ATOM 876 C LYS A 55 -1.466 3.548 -11.213 1.00 0.00 C ATOM 877 O LYS A 55 -2.445 2.954 -11.662 1.00 0.00 O ATOM 878 CB LYS A 55 0.016 3.864 -13.280 1.00 0.00 C ATOM 879 CG LYS A 55 -0.993 3.155 -14.186 1.00 0.00 C ATOM 880 CD LYS A 55 -0.359 2.787 -15.529 1.00 0.00 C ATOM 881 CE LYS A 55 -0.645 1.328 -15.889 1.00 0.00 C ATOM 882 NZ LYS A 55 0.612 0.548 -15.928 1.00 0.00 N ATOM 0 H LYS A 55 -0.398 1.311 -12.201 1.00 0.00 H new ATOM 0 HA LYS A 55 0.617 3.954 -11.263 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.164 4.939 -13.301 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.026 3.703 -13.658 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.359 2.254 -13.694 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.855 3.801 -14.352 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.747 3.441 -16.310 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.718 2.950 -15.484 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.327 0.894 -15.158 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.142 1.277 -16.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.391 -0.468 -15.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.130 0.768 -16.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.200 0.795 -15.106 1.00 0.00 H new ATOM 896 N GLY A 56 -1.500 4.383 -10.185 1.00 0.00 N ATOM 897 CA GLY A 56 -2.745 4.665 -9.491 1.00 0.00 C ATOM 898 C GLY A 56 -2.498 4.920 -8.003 1.00 0.00 C ATOM 899 O GLY A 56 -3.149 5.770 -7.399 1.00 0.00 O ATOM 0 H GLY A 56 -0.685 4.873 -9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.225 5.535 -9.938 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.430 3.826 -9.611 1.00 0.00 H new ATOM 903 N ILE A 57 -1.554 4.168 -7.455 1.00 0.00 N ATOM 904 CA ILE A 57 -1.213 4.302 -6.049 1.00 0.00 C ATOM 905 C ILE A 57 0.301 4.474 -5.911 1.00 0.00 C ATOM 906 O ILE A 57 1.047 4.219 -6.855 1.00 0.00 O ATOM 907 CB ILE A 57 -1.774 3.126 -5.247 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.484 1.797 -5.947 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.267 3.314 -4.970 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.006 1.660 -6.270 1.00 0.00 C ATOM 0 H ILE A 57 -1.015 3.464 -7.959 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.676 5.194 -5.628 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.268 3.099 -4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.799 0.970 -5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.066 1.731 -6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.641 2.464 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.419 4.230 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.807 3.382 -5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.184 0.706 -6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.312 2.474 -6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.584 1.701 -5.347 1.00 0.00 H new ATOM 922 N HIS A 58 0.710 4.906 -4.727 1.00 0.00 N ATOM 923 CA HIS A 58 2.121 5.116 -4.453 1.00 0.00 C ATOM 924 C HIS A 58 2.507 4.388 -3.164 1.00 0.00 C ATOM 925 O HIS A 58 2.074 4.769 -2.078 1.00 0.00 O ATOM 926 CB HIS A 58 2.451 6.609 -4.412 1.00 0.00 C ATOM 927 CG HIS A 58 3.622 6.956 -3.525 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.850 7.353 -4.025 1.00 0.00 N ATOM 929 CD2 HIS A 58 3.740 6.961 -2.166 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.663 7.583 -3.004 1.00 0.00 C ATOM 931 NE2 HIS A 58 4.973 7.339 -1.853 1.00 0.00 N ATOM 0 H HIS A 58 0.088 5.116 -3.946 1.00 0.00 H new ATOM 0 HA HIS A 58 2.718 4.694 -5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.662 6.952 -5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.573 7.155 -4.067 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.962 6.701 -1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.691 7.907 -3.071 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.344 7.432 -0.907 1.00 0.00 H new ATOM 939 N VAL A 59 3.318 3.353 -3.327 1.00 0.00 N ATOM 940 CA VAL A 59 3.767 2.568 -2.190 1.00 0.00 C ATOM 941 C VAL A 59 5.050 3.183 -1.626 1.00 0.00 C ATOM 942 O VAL A 59 5.976 3.490 -2.374 1.00 0.00 O ATOM 943 CB VAL A 59 3.936 1.103 -2.599 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.287 0.233 -1.390 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.682 0.582 -3.304 1.00 0.00 C ATOM 0 H VAL A 59 3.676 3.040 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 59 3.021 2.586 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 59 4.765 1.046 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.401 -0.803 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.221 0.582 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.489 0.299 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.829 -0.461 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.828 0.660 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.495 1.175 -4.199 1.00 0.00 H new ATOM 955 N GLU A 60 5.062 3.345 -0.311 1.00 0.00 N ATOM 956 CA GLU A 60 6.215 3.918 0.362 1.00 0.00 C ATOM 957 C GLU A 60 6.443 3.226 1.707 1.00 0.00 C ATOM 958 O GLU A 60 5.494 2.768 2.343 1.00 0.00 O ATOM 959 CB GLU A 60 6.050 5.428 0.543 1.00 0.00 C ATOM 960 CG GLU A 60 4.669 5.764 1.110 1.00 0.00 C ATOM 961 CD GLU A 60 4.263 7.195 0.751 1.00 0.00 C ATOM 962 OE1 GLU A 60 5.186 8.014 0.549 1.00 0.00 O ATOM 963 OE2 GLU A 60 3.038 7.437 0.685 1.00 0.00 O ATOM 0 H GLU A 60 4.291 3.089 0.306 1.00 0.00 H new ATOM 0 HA GLU A 60 7.094 3.754 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.823 5.804 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.186 5.930 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.931 5.064 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.678 5.646 2.194 1.00 0.00 H new ATOM 970 N THR A 61 7.707 3.170 2.102 1.00 0.00 N ATOM 971 CA THR A 61 8.071 2.542 3.360 1.00 0.00 C ATOM 972 C THR A 61 8.439 3.603 4.399 1.00 0.00 C ATOM 973 O THR A 61 9.518 4.190 4.337 1.00 0.00 O ATOM 974 CB THR A 61 9.199 1.546 3.082 1.00 0.00 C ATOM 975 OG1 THR A 61 8.526 0.379 2.620 1.00 0.00 O ATOM 976 CG2 THR A 61 9.904 1.088 4.360 1.00 0.00 C ATOM 0 H THR A 61 8.492 3.550 1.572 1.00 0.00 H new ATOM 0 HA THR A 61 7.231 1.993 3.786 1.00 0.00 H new ATOM 0 HB THR A 61 9.926 2.000 2.409 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.123 0.559 1.745 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.695 0.383 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.336 1.951 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.184 0.603 5.019 1.00 0.00 H new ATOM 984 N LEU A 62 7.521 3.816 5.331 1.00 0.00 N ATOM 985 CA LEU A 62 7.735 4.795 6.382 1.00 0.00 C ATOM 986 C LEU A 62 8.135 4.075 7.671 1.00 0.00 C ATOM 987 O LEU A 62 7.617 3.000 7.972 1.00 0.00 O ATOM 988 CB LEU A 62 6.507 5.694 6.536 1.00 0.00 C ATOM 989 CG LEU A 62 5.898 6.226 5.236 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.464 6.709 5.460 1.00 0.00 C ATOM 991 CD2 LEU A 62 6.781 7.314 4.623 1.00 0.00 C ATOM 0 H LEU A 62 6.627 3.327 5.379 1.00 0.00 H new ATOM 0 HA LEU A 62 8.558 5.460 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.739 5.137 7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.780 6.544 7.161 1.00 0.00 H new ATOM 0 HG LEU A 62 5.853 5.406 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.055 7.082 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.853 5.881 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.461 7.509 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.326 7.675 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.881 8.141 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.766 6.903 4.405 1.00 0.00 H new ATOM 1003 N GLU A 63 9.052 4.695 8.399 1.00 0.00 N ATOM 1004 CA GLU A 63 9.526 4.127 9.649 1.00 0.00 C ATOM 1005 C GLU A 63 9.329 5.122 10.794 1.00 0.00 C ATOM 1006 O GLU A 63 9.674 6.296 10.668 1.00 0.00 O ATOM 1007 CB GLU A 63 10.992 3.704 9.537 1.00 0.00 C ATOM 1008 CG GLU A 63 11.488 3.092 10.849 1.00 0.00 C ATOM 1009 CD GLU A 63 12.817 3.717 11.278 1.00 0.00 C ATOM 1010 OE1 GLU A 63 12.999 4.919 10.987 1.00 0.00 O ATOM 1011 OE2 GLU A 63 13.621 2.979 11.888 1.00 0.00 O ATOM 0 H GLU A 63 9.480 5.586 8.147 1.00 0.00 H new ATOM 0 HA GLU A 63 8.939 3.234 9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.105 2.981 8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.605 4.568 9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.742 3.243 11.630 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.610 2.016 10.729 1.00 0.00 H new ATOM 1018 N THR A 64 8.774 4.617 11.886 1.00 0.00 N ATOM 1019 CA THR A 64 8.526 5.447 13.052 1.00 0.00 C ATOM 1020 C THR A 64 9.190 4.839 14.290 1.00 0.00 C ATOM 1021 O THR A 64 10.234 4.197 14.186 1.00 0.00 O ATOM 1022 CB THR A 64 7.013 5.618 13.198 1.00 0.00 C ATOM 1023 OG1 THR A 64 6.554 4.332 13.603 1.00 0.00 O ATOM 1024 CG2 THR A 64 6.319 5.855 11.855 1.00 0.00 C ATOM 0 H THR A 64 8.489 3.643 11.988 1.00 0.00 H new ATOM 0 HA THR A 64 8.970 6.436 12.935 1.00 0.00 H new ATOM 0 HB THR A 64 6.806 6.453 13.867 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.380 4.336 14.567 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.247 5.970 12.015 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.716 6.760 11.395 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.499 5.004 11.197 1.00 0.00 H new ATOM 1032 N ASP A 65 8.557 5.065 15.432 1.00 0.00 N ATOM 1033 CA ASP A 65 9.074 4.548 16.688 1.00 0.00 C ATOM 1034 C ASP A 65 8.488 3.157 16.942 1.00 0.00 C ATOM 1035 O ASP A 65 9.222 2.174 17.016 1.00 0.00 O ATOM 1036 CB ASP A 65 8.678 5.449 17.859 1.00 0.00 C ATOM 1037 CG ASP A 65 9.798 5.740 18.859 1.00 0.00 C ATOM 1038 OD1 ASP A 65 10.816 6.317 18.419 1.00 0.00 O ATOM 1039 OD2 ASP A 65 9.612 5.378 20.041 1.00 0.00 O ATOM 0 H ASP A 65 7.692 5.599 15.514 1.00 0.00 H new ATOM 0 HA ASP A 65 10.161 4.509 16.615 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.311 6.395 17.462 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.848 4.984 18.391 1.00 0.00 H new ATOM 1044 N LYS A 66 7.169 3.120 17.068 1.00 0.00 N ATOM 1045 CA LYS A 66 6.476 1.867 17.312 1.00 0.00 C ATOM 1046 C LYS A 66 6.001 1.284 15.980 1.00 0.00 C ATOM 1047 O LYS A 66 6.024 0.070 15.786 1.00 0.00 O ATOM 1048 CB LYS A 66 5.352 2.066 18.332 1.00 0.00 C ATOM 1049 CG LYS A 66 4.325 3.079 17.825 1.00 0.00 C ATOM 1050 CD LYS A 66 3.065 3.063 18.692 1.00 0.00 C ATOM 1051 CE LYS A 66 2.994 4.308 19.579 1.00 0.00 C ATOM 1052 NZ LYS A 66 3.479 4.001 20.944 1.00 0.00 N ATOM 0 H LYS A 66 6.563 3.938 17.006 1.00 0.00 H new ATOM 0 HA LYS A 66 7.153 1.138 17.756 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.861 1.113 18.528 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.771 2.410 19.278 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.761 4.078 17.830 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.063 2.850 16.792 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.182 3.015 18.055 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.059 2.168 19.314 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.595 5.106 19.144 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.967 4.671 19.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.424 4.857 21.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.888 3.254 21.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.466 3.676 20.897 1.00 0.00 H new ATOM 1066 N LYS A 67 5.581 2.177 15.096 1.00 0.00 N ATOM 1067 CA LYS A 67 5.101 1.767 13.787 1.00 0.00 C ATOM 1068 C LYS A 67 6.267 1.197 12.977 1.00 0.00 C ATOM 1069 O LYS A 67 6.066 0.370 12.089 1.00 0.00 O ATOM 1070 CB LYS A 67 4.378 2.923 13.094 1.00 0.00 C ATOM 1071 CG LYS A 67 2.930 2.550 12.771 1.00 0.00 C ATOM 1072 CD LYS A 67 2.045 3.795 12.701 1.00 0.00 C ATOM 1073 CE LYS A 67 0.616 3.478 13.149 1.00 0.00 C ATOM 1074 NZ LYS A 67 0.555 3.329 14.620 1.00 0.00 N ATOM 0 H LYS A 67 5.563 3.183 15.261 1.00 0.00 H new ATOM 0 HA LYS A 67 4.361 0.973 13.885 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.396 3.804 13.735 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.903 3.186 12.176 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.891 2.018 11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.548 1.870 13.532 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.463 4.579 13.333 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.033 4.180 11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.056 4.274 12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.274 2.561 12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.435 3.385 14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.953 2.407 14.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.104 4.089 15.069 1.00 0.00 H new ATOM 1088 N GLU A 68 7.462 1.663 13.311 1.00 0.00 N ATOM 1089 CA GLU A 68 8.660 1.210 12.625 1.00 0.00 C ATOM 1090 C GLU A 68 8.432 1.193 11.113 1.00 0.00 C ATOM 1091 O GLU A 68 7.436 1.726 10.625 1.00 0.00 O ATOM 1092 CB GLU A 68 9.094 -0.167 13.130 1.00 0.00 C ATOM 1093 CG GLU A 68 10.554 -0.150 13.587 1.00 0.00 C ATOM 1094 CD GLU A 68 10.962 -1.503 14.173 1.00 0.00 C ATOM 1095 OE1 GLU A 68 10.518 -2.524 13.605 1.00 0.00 O ATOM 1096 OE2 GLU A 68 11.708 -1.486 15.175 1.00 0.00 O ATOM 0 H GLU A 68 7.626 2.349 14.047 1.00 0.00 H new ATOM 0 HA GLU A 68 9.466 1.911 12.843 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.454 -0.473 13.958 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.966 -0.905 12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.200 0.094 12.744 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.696 0.631 14.334 1.00 0.00 H new ATOM 1103 N ARG A 69 9.371 0.574 10.412 1.00 0.00 N ATOM 1104 CA ARG A 69 9.284 0.480 8.964 1.00 0.00 C ATOM 1105 C ARG A 69 8.045 -0.320 8.557 1.00 0.00 C ATOM 1106 O ARG A 69 8.020 -1.542 8.692 1.00 0.00 O ATOM 1107 CB ARG A 69 10.530 -0.189 8.380 1.00 0.00 C ATOM 1108 CG ARG A 69 11.075 0.607 7.193 1.00 0.00 C ATOM 1109 CD ARG A 69 12.565 0.903 7.369 1.00 0.00 C ATOM 1110 NE ARG A 69 13.115 1.490 6.127 1.00 0.00 N ATOM 1111 CZ ARG A 69 13.259 0.816 4.977 1.00 0.00 C ATOM 1112 NH1 ARG A 69 12.895 -0.472 4.906 1.00 0.00 N ATOM 1113 NH2 ARG A 69 13.767 1.430 3.900 1.00 0.00 N ATOM 0 H ARG A 69 10.195 0.133 10.819 1.00 0.00 H new ATOM 0 HA ARG A 69 9.211 1.494 8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.297 -0.272 9.150 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.287 -1.203 8.062 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.918 0.046 6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.524 1.542 7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.712 1.591 8.202 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.100 -0.014 7.615 1.00 0.00 H new ATOM 0 HE ARG A 69 13.403 2.468 6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.509 -0.939 5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.004 -0.985 4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.044 2.410 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.877 0.917 3.025 1.00 0.00 H new ATOM 1127 N HIS A 70 7.048 0.402 8.068 1.00 0.00 N ATOM 1128 CA HIS A 70 5.809 -0.225 7.641 1.00 0.00 C ATOM 1129 C HIS A 70 5.427 0.288 6.251 1.00 0.00 C ATOM 1130 O HIS A 70 5.666 1.451 5.927 1.00 0.00 O ATOM 1131 CB HIS A 70 4.705 -0.009 8.678 1.00 0.00 C ATOM 1132 CG HIS A 70 4.007 1.325 8.562 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.694 1.520 8.954 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.452 2.527 8.096 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.374 2.786 8.729 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.465 3.408 8.196 1.00 0.00 N ATOM 0 H HIS A 70 7.073 1.416 7.958 1.00 0.00 H new ATOM 0 HA HIS A 70 5.950 -1.303 7.566 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.966 -0.804 8.578 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.135 -0.097 9.676 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.077 0.810 9.349 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.441 2.728 7.711 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.418 3.245 8.932 1.00 0.00 H new ATOM 1144 N ILE A 71 4.838 -0.603 5.467 1.00 0.00 N ATOM 1145 CA ILE A 71 4.420 -0.255 4.120 1.00 0.00 C ATOM 1146 C ILE A 71 3.235 0.710 4.192 1.00 0.00 C ATOM 1147 O ILE A 71 2.333 0.531 5.009 1.00 0.00 O ATOM 1148 CB ILE A 71 4.137 -1.517 3.304 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.437 -2.232 2.930 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.286 -1.195 2.074 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.154 -3.632 2.381 1.00 0.00 C ATOM 0 H ILE A 71 4.640 -1.566 5.739 1.00 0.00 H new ATOM 0 HA ILE A 71 5.222 0.263 3.594 1.00 0.00 H new ATOM 0 HB ILE A 71 3.560 -2.202 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.976 -1.647 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.082 -2.304 3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.099 -2.110 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.336 -0.764 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.815 -0.482 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.095 -4.119 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.636 -4.222 3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.529 -3.554 1.491 1.00 0.00 H new ATOM 1163 N VAL A 72 3.275 1.712 3.326 1.00 0.00 N ATOM 1164 CA VAL A 72 2.216 2.706 3.282 1.00 0.00 C ATOM 1165 C VAL A 72 1.881 3.023 1.823 1.00 0.00 C ATOM 1166 O VAL A 72 2.779 3.219 1.005 1.00 0.00 O ATOM 1167 CB VAL A 72 2.624 3.943 4.084 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.879 5.185 3.593 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.398 3.724 5.581 1.00 0.00 C ATOM 0 H VAL A 72 4.024 1.857 2.649 1.00 0.00 H new ATOM 0 HA VAL A 72 1.310 2.319 3.748 1.00 0.00 H new ATOM 0 HB VAL A 72 3.690 4.108 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.188 6.050 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.112 5.357 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.805 5.034 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.696 4.618 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.343 3.521 5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.994 2.876 5.919 1.00 0.00 H new ATOM 1179 N ILE A 73 0.588 3.063 1.541 1.00 0.00 N ATOM 1180 CA ILE A 73 0.123 3.353 0.195 1.00 0.00 C ATOM 1181 C ILE A 73 -0.495 4.753 0.164 1.00 0.00 C ATOM 1182 O ILE A 73 -0.954 5.255 1.188 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.820 2.253 -0.295 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.056 0.955 -0.565 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.613 2.716 -1.519 1.00 0.00 C ATOM 1186 CD1 ILE A 73 0.118 0.144 0.721 1.00 0.00 C ATOM 0 H ILE A 73 -0.154 2.899 2.222 1.00 0.00 H new ATOM 0 HA ILE A 73 0.959 3.358 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.540 2.044 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.592 0.360 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.921 1.185 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.276 1.915 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.205 3.593 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.924 2.970 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.664 -0.774 0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.675 0.733 1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.861 -0.105 1.129 1.00 0.00 H new ATOM 1198 N SER A 74 -0.486 5.342 -1.023 1.00 0.00 N ATOM 1199 CA SER A 74 -1.040 6.674 -1.201 1.00 0.00 C ATOM 1200 C SER A 74 -1.872 6.727 -2.484 1.00 0.00 C ATOM 1201 O SER A 74 -1.740 5.863 -3.350 1.00 0.00 O ATOM 1202 CB SER A 74 0.066 7.730 -1.242 1.00 0.00 C ATOM 1203 OG SER A 74 -0.153 8.694 -2.268 1.00 0.00 O ATOM 0 H SER A 74 -0.104 4.922 -1.870 1.00 0.00 H new ATOM 0 HA SER A 74 -1.683 6.894 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.122 8.234 -0.277 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.027 7.242 -1.403 1.00 0.00 H new ATOM 0 HG SER A 74 0.574 9.351 -2.260 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.710 7.750 -2.566 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.563 7.927 -3.729 1.00 0.00 C ATOM 1211 C LYS A 75 -2.784 8.664 -4.820 1.00 0.00 C ATOM 1212 O LYS A 75 -2.301 9.774 -4.601 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.870 8.616 -3.334 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.047 7.641 -3.401 1.00 0.00 C ATOM 1215 CD LYS A 75 -6.530 7.266 -1.999 1.00 0.00 C ATOM 1216 CE LYS A 75 -7.736 6.327 -2.067 1.00 0.00 C ATOM 1217 NZ LYS A 75 -8.993 7.103 -2.144 1.00 0.00 N ATOM 0 H LYS A 75 -2.816 8.465 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.851 6.960 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.783 9.017 -2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.055 9.461 -3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.865 8.092 -3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.748 6.741 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.721 6.786 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.798 8.168 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.649 5.677 -2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.753 5.683 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.804 6.464 -2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.002 7.824 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.058 7.567 -3.072 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.686 8.018 -5.972 1.00 0.00 N ATOM 1232 CA VAL A 76 -1.974 8.598 -7.098 1.00 0.00 C ATOM 1233 C VAL A 76 -2.916 8.690 -8.299 1.00 0.00 C ATOM 1234 O VAL A 76 -3.961 8.042 -8.325 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.709 7.788 -7.391 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.006 8.319 -8.636 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.229 7.779 -6.182 1.00 0.00 C ATOM 0 H VAL A 76 -3.088 7.098 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.648 9.611 -6.862 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.009 6.759 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.901 7.726 -8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.660 8.249 -9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.287 9.360 -8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.120 7.197 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.518 8.801 -5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.282 7.333 -5.329 1.00 0.00 H new ATOM 1247 N ASP A 77 -2.514 9.502 -9.266 1.00 0.00 N ATOM 1248 CA ASP A 77 -3.310 9.688 -10.467 1.00 0.00 C ATOM 1249 C ASP A 77 -2.404 9.581 -11.696 1.00 0.00 C ATOM 1250 O ASP A 77 -1.191 9.761 -11.595 1.00 0.00 O ATOM 1251 CB ASP A 77 -3.968 11.069 -10.484 1.00 0.00 C ATOM 1252 CG ASP A 77 -4.871 11.340 -11.689 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -5.714 10.463 -11.976 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -4.698 12.419 -12.296 1.00 0.00 O ATOM 0 H ASP A 77 -1.647 10.039 -9.242 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.083 8.920 -10.481 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.557 11.186 -9.574 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.186 11.828 -10.457 1.00 0.00 H new ATOM 1259 N GLU A 78 -3.027 9.288 -12.828 1.00 0.00 N ATOM 1260 CA GLU A 78 -2.292 9.155 -14.074 1.00 0.00 C ATOM 1261 C GLU A 78 -1.858 10.531 -14.584 1.00 0.00 C ATOM 1262 O GLU A 78 -0.676 10.761 -14.830 1.00 0.00 O ATOM 1263 CB GLU A 78 -3.125 8.419 -15.125 1.00 0.00 C ATOM 1264 CG GLU A 78 -2.317 7.292 -15.772 1.00 0.00 C ATOM 1265 CD GLU A 78 -2.444 7.332 -17.297 1.00 0.00 C ATOM 1266 OE1 GLU A 78 -1.663 8.091 -17.911 1.00 0.00 O ATOM 1267 OE2 GLU A 78 -3.318 6.603 -17.813 1.00 0.00 O ATOM 0 H GLU A 78 -4.033 9.139 -12.908 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.398 8.561 -13.884 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.022 8.009 -14.662 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.454 9.121 -15.891 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.268 7.382 -15.488 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.666 6.329 -15.399 1.00 0.00 H new ATOM 1274 N GLU A 79 -2.839 11.410 -14.726 1.00 0.00 N ATOM 1275 CA GLU A 79 -2.574 12.757 -15.202 1.00 0.00 C ATOM 1276 C GLU A 79 -1.394 13.366 -14.442 1.00 0.00 C ATOM 1277 O GLU A 79 -0.380 13.719 -15.043 1.00 0.00 O ATOM 1278 CB GLU A 79 -3.818 13.638 -15.078 1.00 0.00 C ATOM 1279 CG GLU A 79 -4.144 14.318 -16.410 1.00 0.00 C ATOM 1280 CD GLU A 79 -5.074 15.515 -16.201 1.00 0.00 C ATOM 1281 OE1 GLU A 79 -6.299 15.278 -16.136 1.00 0.00 O ATOM 1282 OE2 GLU A 79 -4.537 16.641 -16.112 1.00 0.00 O ATOM 0 H GLU A 79 -3.819 11.216 -14.520 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.312 12.702 -16.259 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.666 13.033 -14.758 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.657 14.394 -14.309 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.222 14.648 -16.889 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.614 13.601 -17.083 1.00 0.00 H new ATOM 1289 N GLU A 80 -1.564 13.469 -13.133 1.00 0.00 N ATOM 1290 CA GLU A 80 -0.526 14.029 -12.284 1.00 0.00 C ATOM 1291 C GLU A 80 0.851 13.537 -12.736 1.00 0.00 C ATOM 1292 O GLU A 80 1.710 14.337 -13.104 1.00 0.00 O ATOM 1293 CB GLU A 80 -0.775 13.686 -10.814 1.00 0.00 C ATOM 1294 CG GLU A 80 -0.321 14.826 -9.901 1.00 0.00 C ATOM 1295 CD GLU A 80 0.495 14.292 -8.721 1.00 0.00 C ATOM 1296 OE1 GLU A 80 -0.110 13.585 -7.887 1.00 0.00 O ATOM 1297 OE2 GLU A 80 1.705 14.603 -8.681 1.00 0.00 O ATOM 0 H GLU A 80 -2.406 13.174 -12.638 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.552 15.115 -12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.836 13.490 -10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.240 12.772 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.279 15.536 -10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.191 15.368 -9.530 1.00 0.00 H new ATOM 1304 N ARG A 81 1.018 12.223 -12.693 1.00 0.00 N ATOM 1305 CA ARG A 81 2.275 11.615 -13.093 1.00 0.00 C ATOM 1306 C ARG A 81 2.684 12.107 -14.483 1.00 0.00 C ATOM 1307 O ARG A 81 1.887 12.066 -15.419 1.00 0.00 O ATOM 1308 CB ARG A 81 2.168 10.089 -13.110 1.00 0.00 C ATOM 1309 CG ARG A 81 3.516 9.441 -12.785 1.00 0.00 C ATOM 1310 CD ARG A 81 3.326 8.161 -11.970 1.00 0.00 C ATOM 1311 NE ARG A 81 3.620 8.421 -10.543 1.00 0.00 N ATOM 1312 CZ ARG A 81 4.854 8.588 -10.048 1.00 0.00 C ATOM 1313 NH1 ARG A 81 5.917 8.522 -10.863 1.00 0.00 N ATOM 1314 NH2 ARG A 81 5.026 8.820 -8.740 1.00 0.00 N ATOM 0 H ARG A 81 0.303 11.563 -12.387 1.00 0.00 H new ATOM 0 HA ARG A 81 3.031 11.906 -12.364 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.421 9.765 -12.386 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.827 9.756 -14.090 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.046 9.212 -13.710 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.136 10.143 -12.227 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.304 7.799 -12.079 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.983 7.378 -12.348 1.00 0.00 H new ATOM 0 HE ARG A 81 2.834 8.477 -9.896 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.786 8.345 -11.859 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.857 8.649 -10.487 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.217 8.870 -8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.966 8.947 -8.364 1.00 0.00 H new ATOM 1328 N SER A 82 3.926 12.560 -14.574 1.00 0.00 N ATOM 1329 CA SER A 82 4.450 13.059 -15.834 1.00 0.00 C ATOM 1330 C SER A 82 4.512 11.926 -16.860 1.00 0.00 C ATOM 1331 O SER A 82 4.051 12.080 -17.990 1.00 0.00 O ATOM 1332 CB SER A 82 5.834 13.682 -15.647 1.00 0.00 C ATOM 1333 OG SER A 82 6.410 14.086 -16.886 1.00 0.00 O ATOM 0 H SER A 82 4.584 12.592 -13.796 1.00 0.00 H new ATOM 0 HA SER A 82 3.779 13.836 -16.200 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.757 14.544 -14.985 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.492 12.963 -15.159 1.00 0.00 H new ATOM 0 HG SER A 82 7.292 14.480 -16.723 1.00 0.00 H new ATOM 1339 N GLY A 83 5.086 10.812 -16.430 1.00 0.00 N ATOM 1340 CA GLY A 83 5.215 9.653 -17.297 1.00 0.00 C ATOM 1341 C GLY A 83 6.517 8.900 -17.017 1.00 0.00 C ATOM 1342 O GLY A 83 6.963 8.829 -15.873 1.00 0.00 O ATOM 0 H GLY A 83 5.467 10.687 -15.492 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.366 8.986 -17.147 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.191 9.970 -18.340 1.00 0.00 H new ATOM 1346 N PRO A 84 7.106 8.344 -18.109 1.00 0.00 N ATOM 1347 CA PRO A 84 8.348 7.599 -17.992 1.00 0.00 C ATOM 1348 C PRO A 84 9.536 8.542 -17.789 1.00 0.00 C ATOM 1349 O PRO A 84 9.612 9.594 -18.422 1.00 0.00 O ATOM 1350 CB PRO A 84 8.444 6.789 -19.275 1.00 0.00 C ATOM 1351 CG PRO A 84 7.499 7.457 -20.260 1.00 0.00 C ATOM 1352 CD PRO A 84 6.606 8.408 -19.479 1.00 0.00 C ATOM 0 HA PRO A 84 8.365 6.943 -17.121 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.465 6.781 -19.657 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.160 5.751 -19.104 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.061 7.999 -21.020 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.899 6.710 -20.780 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.665 9.422 -19.875 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.561 8.105 -19.534 1.00 0.00 H new ATOM 1360 N SER A 85 10.433 8.131 -16.906 1.00 0.00 N ATOM 1361 CA SER A 85 11.614 8.926 -16.612 1.00 0.00 C ATOM 1362 C SER A 85 12.555 8.929 -17.818 1.00 0.00 C ATOM 1363 O SER A 85 12.851 9.984 -18.377 1.00 0.00 O ATOM 1364 CB SER A 85 12.339 8.397 -15.373 1.00 0.00 C ATOM 1365 OG SER A 85 11.463 8.264 -14.258 1.00 0.00 O ATOM 0 H SER A 85 10.366 7.257 -16.384 1.00 0.00 H new ATOM 0 HA SER A 85 11.297 9.948 -16.405 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.786 7.429 -15.600 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.155 9.072 -15.115 1.00 0.00 H new ATOM 0 HG SER A 85 11.963 7.922 -13.488 1.00 0.00 H new ATOM 1371 N SER A 86 13.001 7.736 -18.184 1.00 0.00 N ATOM 1372 CA SER A 86 13.903 7.588 -19.313 1.00 0.00 C ATOM 1373 C SER A 86 13.489 8.535 -20.441 1.00 0.00 C ATOM 1374 O SER A 86 14.254 9.418 -20.827 1.00 0.00 O ATOM 1375 CB SER A 86 13.925 6.143 -19.815 1.00 0.00 C ATOM 1376 OG SER A 86 15.220 5.753 -20.265 1.00 0.00 O ATOM 0 H SER A 86 12.754 6.863 -17.718 1.00 0.00 H new ATOM 0 HA SER A 86 14.909 7.845 -18.982 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.603 5.476 -19.015 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.209 6.031 -20.630 1.00 0.00 H new ATOM 0 HG SER A 86 15.192 4.824 -20.576 1.00 0.00 H new ATOM 1382 N GLY A 87 12.280 8.319 -20.938 1.00 0.00 N ATOM 1383 CA GLY A 87 11.756 9.143 -22.014 1.00 0.00 C ATOM 1384 C GLY A 87 12.167 8.588 -23.380 1.00 0.00 C ATOM 1385 O GLY A 87 11.628 8.996 -24.407 1.00 0.00 O ATOM 0 H GLY A 87 11.649 7.586 -20.616 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.669 9.186 -21.947 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.123 10.164 -21.907 1.00 0.00 H new TER 1389 GLY A 87