USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 794 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 84 LYS NZ :NH3+ -133:sc= 0.291 (180deg=-0.0133) USER MOD Set 1.2: A 89 HIS :FLIP no HD1:sc= 0.351 F(o=-1.6,f=-0.32) USER MOD Set 1.3: A 93 SER OG : rot -160:sc= -0.964 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.106 K(o=0.16,f=-2.2) USER MOD Set 2.2: A 37 ASN :FLIP amide:sc= 0.0551 F(o=-0.59,f=0.16) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.116 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 47:sc= 0.501 USER MOD Single : A 8 SER OG : rot -64:sc= 0.765 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0862 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00719 K(o=-0.0072,f=-0.72) USER MOD Single : A 22 THR OG1 : rot 21:sc= 0.262 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -4.72! C(o=-4.7!,f=-5.1!) USER MOD Single : A 28 GLN : amide:sc= -2.76! C(o=-2.8!,f=-4.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.4! X(o=-2.4!,f=-2.3) USER MOD Single : A 49 THR OG1 : rot -82:sc= 0.554 USER MOD Single : A 51 SER OG : rot 50:sc= 0.405 USER MOD Single : A 57 CYS SG : rot -111:sc= -2.99 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0428) USER MOD Single : A 67 HIS : no HE2:sc= -2.38! C(o=-2.4!,f=-5.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.581 F(o=-3.1,f=-0.58) USER MOD Single : A 79 HIS : no HD1:sc= -0.265 K(o=-0.27,f=-0.95) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 96 LYS NZ :NH3+ 157:sc= -1.11 (180deg=-2.65!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.701 9.120 5.705 1.00 0.00 N ATOM 2 CA GLY A 1 -27.817 10.255 5.515 1.00 0.00 C ATOM 3 C GLY A 1 -26.877 10.068 4.341 1.00 0.00 C ATOM 4 O GLY A 1 -27.317 9.820 3.218 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.323 9.297 6.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.279 8.983 4.851 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.135 8.265 5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.413 11.154 5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.233 10.413 6.422 1.00 0.00 H new ATOM 8 N SER A 2 -25.579 10.189 4.599 1.00 0.00 N ATOM 9 CA SER A 2 -24.574 10.038 3.553 1.00 0.00 C ATOM 10 C SER A 2 -23.752 8.771 3.768 1.00 0.00 C ATOM 11 O SER A 2 -23.574 7.969 2.851 1.00 0.00 O ATOM 12 CB SER A 2 -23.652 11.258 3.521 1.00 0.00 C ATOM 13 OG SER A 2 -22.969 11.413 4.752 1.00 0.00 O ATOM 0 H SER A 2 -25.198 10.391 5.523 1.00 0.00 H new ATOM 0 HA SER A 2 -25.091 9.957 2.597 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.930 11.151 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.236 12.154 3.310 1.00 0.00 H new ATOM 0 HG SER A 2 -22.385 12.199 4.705 1.00 0.00 H new ATOM 19 N SER A 3 -23.254 8.597 4.988 1.00 0.00 N ATOM 20 CA SER A 3 -22.447 7.430 5.325 1.00 0.00 C ATOM 21 C SER A 3 -23.325 6.291 5.833 1.00 0.00 C ATOM 22 O SER A 3 -23.991 6.415 6.860 1.00 0.00 O ATOM 23 CB SER A 3 -21.403 7.794 6.383 1.00 0.00 C ATOM 24 OG SER A 3 -20.282 6.930 6.311 1.00 0.00 O ATOM 0 H SER A 3 -23.395 9.249 5.759 1.00 0.00 H new ATOM 0 HA SER A 3 -21.938 7.098 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.081 8.826 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.850 7.733 7.375 1.00 0.00 H new ATOM 0 HG SER A 3 -19.629 7.184 6.996 1.00 0.00 H new ATOM 30 N GLY A 4 -23.322 5.179 5.104 1.00 0.00 N ATOM 31 CA GLY A 4 -24.121 4.032 5.495 1.00 0.00 C ATOM 32 C GLY A 4 -23.319 2.999 6.260 1.00 0.00 C ATOM 33 O GLY A 4 -22.227 2.616 5.840 1.00 0.00 O ATOM 0 H GLY A 4 -22.780 5.052 4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.956 4.368 6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.547 3.570 4.605 1.00 0.00 H new ATOM 37 N SER A 5 -23.859 2.548 7.387 1.00 0.00 N ATOM 38 CA SER A 5 -23.183 1.557 8.216 1.00 0.00 C ATOM 39 C SER A 5 -23.512 0.143 7.749 1.00 0.00 C ATOM 40 O SER A 5 -22.618 -0.642 7.433 1.00 0.00 O ATOM 41 CB SER A 5 -23.585 1.728 9.683 1.00 0.00 C ATOM 42 OG SER A 5 -22.878 2.799 10.284 1.00 0.00 O ATOM 0 H SER A 5 -24.763 2.853 7.747 1.00 0.00 H new ATOM 0 HA SER A 5 -22.108 1.712 8.121 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.657 1.913 9.750 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.386 0.805 10.228 1.00 0.00 H new ATOM 0 HG SER A 5 -23.154 2.889 11.220 1.00 0.00 H new ATOM 48 N SER A 6 -24.802 -0.175 7.707 1.00 0.00 N ATOM 49 CA SER A 6 -25.250 -1.496 7.282 1.00 0.00 C ATOM 50 C SER A 6 -25.465 -1.537 5.772 1.00 0.00 C ATOM 51 O SER A 6 -26.556 -1.252 5.280 1.00 0.00 O ATOM 52 CB SER A 6 -26.546 -1.875 8.003 1.00 0.00 C ATOM 53 OG SER A 6 -27.537 -0.877 7.827 1.00 0.00 O ATOM 0 H SER A 6 -25.555 0.464 7.962 1.00 0.00 H new ATOM 0 HA SER A 6 -24.474 -2.216 7.541 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.913 -2.828 7.622 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.348 -2.012 9.066 1.00 0.00 H new ATOM 0 HG SER A 6 -27.579 -0.621 6.882 1.00 0.00 H new ATOM 59 N GLY A 7 -24.414 -1.894 5.040 1.00 0.00 N ATOM 60 CA GLY A 7 -24.506 -1.966 3.594 1.00 0.00 C ATOM 61 C GLY A 7 -23.669 -3.090 3.015 1.00 0.00 C ATOM 62 O GLY A 7 -23.701 -4.216 3.511 1.00 0.00 O ATOM 0 H GLY A 7 -23.500 -2.135 5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.548 -2.107 3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.182 -1.018 3.165 1.00 0.00 H new ATOM 66 N SER A 8 -22.920 -2.785 1.960 1.00 0.00 N ATOM 67 CA SER A 8 -22.076 -3.779 1.309 1.00 0.00 C ATOM 68 C SER A 8 -20.600 -3.496 1.574 1.00 0.00 C ATOM 69 O SER A 8 -19.933 -2.830 0.782 1.00 0.00 O ATOM 70 CB SER A 8 -22.341 -3.796 -0.198 1.00 0.00 C ATOM 71 OG SER A 8 -21.918 -5.019 -0.776 1.00 0.00 O ATOM 0 H SER A 8 -22.881 -1.857 1.538 1.00 0.00 H new ATOM 0 HA SER A 8 -22.321 -4.756 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 8 -23.405 -3.650 -0.385 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.817 -2.966 -0.672 1.00 0.00 H new ATOM 0 HG SER A 8 -20.947 -5.109 -0.678 1.00 0.00 H new ATOM 77 N ASP A 9 -20.098 -4.007 2.693 1.00 0.00 N ATOM 78 CA ASP A 9 -18.702 -3.811 3.063 1.00 0.00 C ATOM 79 C ASP A 9 -17.820 -4.898 2.456 1.00 0.00 C ATOM 80 O ASP A 9 -17.682 -5.984 3.018 1.00 0.00 O ATOM 81 CB ASP A 9 -18.551 -3.806 4.585 1.00 0.00 C ATOM 82 CG ASP A 9 -19.522 -4.751 5.266 1.00 0.00 C ATOM 83 OD1 ASP A 9 -19.409 -5.976 5.049 1.00 0.00 O ATOM 84 OD2 ASP A 9 -20.395 -4.266 6.015 1.00 0.00 O ATOM 0 H ASP A 9 -20.637 -4.560 3.359 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.381 -2.846 2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.531 -4.087 4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.709 -2.795 4.960 1.00 0.00 H new ATOM 89 N ASP A 10 -17.229 -4.598 1.305 1.00 0.00 N ATOM 90 CA ASP A 10 -16.361 -5.550 0.621 1.00 0.00 C ATOM 91 C ASP A 10 -14.894 -5.167 0.790 1.00 0.00 C ATOM 92 O ASP A 10 -14.002 -5.999 0.628 1.00 0.00 O ATOM 93 CB ASP A 10 -16.715 -5.618 -0.866 1.00 0.00 C ATOM 94 CG ASP A 10 -18.106 -6.172 -1.105 1.00 0.00 C ATOM 95 OD1 ASP A 10 -19.081 -5.549 -0.636 1.00 0.00 O ATOM 96 OD2 ASP A 10 -18.219 -7.228 -1.761 1.00 0.00 O ATOM 0 H ASP A 10 -17.335 -3.704 0.826 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.515 -6.532 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.645 -4.620 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.985 -6.242 -1.382 1.00 0.00 H new ATOM 101 N ALA A 11 -14.652 -3.901 1.116 1.00 0.00 N ATOM 102 CA ALA A 11 -13.294 -3.408 1.308 1.00 0.00 C ATOM 103 C ALA A 11 -12.593 -4.156 2.438 1.00 0.00 C ATOM 104 O ALA A 11 -11.368 -4.120 2.552 1.00 0.00 O ATOM 105 CB ALA A 11 -13.310 -1.914 1.593 1.00 0.00 C ATOM 0 H ALA A 11 -15.379 -3.199 1.253 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.736 -3.586 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.289 -1.560 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.764 -1.388 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.889 -1.722 2.496 1.00 0.00 H new ATOM 111 N ARG A 12 -13.378 -4.832 3.270 1.00 0.00 N ATOM 112 CA ARG A 12 -12.832 -5.587 4.392 1.00 0.00 C ATOM 113 C ARG A 12 -12.090 -6.827 3.903 1.00 0.00 C ATOM 114 O ARG A 12 -11.421 -7.509 4.679 1.00 0.00 O ATOM 115 CB ARG A 12 -13.951 -5.994 5.353 1.00 0.00 C ATOM 116 CG ARG A 12 -14.776 -4.822 5.858 1.00 0.00 C ATOM 117 CD ARG A 12 -13.908 -3.791 6.562 1.00 0.00 C ATOM 118 NE ARG A 12 -14.646 -3.066 7.593 1.00 0.00 N ATOM 119 CZ ARG A 12 -15.401 -2.002 7.345 1.00 0.00 C ATOM 120 NH1 ARG A 12 -15.516 -1.541 6.108 1.00 0.00 N ATOM 121 NH2 ARG A 12 -16.042 -1.396 8.337 1.00 0.00 N ATOM 0 H ARG A 12 -14.394 -4.873 3.189 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.125 -4.946 4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.610 -6.702 4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.515 -6.515 6.206 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.294 -4.353 5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.542 -5.184 6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.049 -4.288 7.013 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.519 -3.084 5.829 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.578 -3.395 8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -15.024 -2.004 5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.097 -0.724 5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.955 -1.748 9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.622 -0.579 8.146 1.00 0.00 H new ATOM 135 N ARG A 13 -12.215 -7.115 2.611 1.00 0.00 N ATOM 136 CA ARG A 13 -11.559 -8.274 2.019 1.00 0.00 C ATOM 137 C ARG A 13 -10.189 -7.897 1.462 1.00 0.00 C ATOM 138 O ARG A 13 -9.302 -8.744 1.341 1.00 0.00 O ATOM 139 CB ARG A 13 -12.427 -8.866 0.908 1.00 0.00 C ATOM 140 CG ARG A 13 -13.836 -9.217 1.358 1.00 0.00 C ATOM 141 CD ARG A 13 -14.688 -9.700 0.195 1.00 0.00 C ATOM 142 NE ARG A 13 -15.795 -10.542 0.640 1.00 0.00 N ATOM 143 CZ ARG A 13 -16.626 -11.164 -0.189 1.00 0.00 C ATOM 144 NH1 ARG A 13 -16.476 -11.039 -1.501 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.610 -11.913 0.292 1.00 0.00 N ATOM 0 H ARG A 13 -12.765 -6.561 1.955 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.422 -9.021 2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.484 -8.154 0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.944 -9.763 0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.792 -9.991 2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.302 -8.343 1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.082 -8.840 -0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.065 -10.259 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.938 -10.659 1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.721 -10.464 -1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.115 -11.518 -2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.730 -12.012 1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.247 -12.390 -0.346 1.00 0.00 H new ATOM 159 N LEU A 14 -10.023 -6.623 1.126 1.00 0.00 N ATOM 160 CA LEU A 14 -8.761 -6.134 0.581 1.00 0.00 C ATOM 161 C LEU A 14 -7.645 -6.238 1.615 1.00 0.00 C ATOM 162 O LEU A 14 -7.828 -5.888 2.781 1.00 0.00 O ATOM 163 CB LEU A 14 -8.910 -4.683 0.120 1.00 0.00 C ATOM 164 CG LEU A 14 -10.202 -4.345 -0.626 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.257 -2.861 -0.953 1.00 0.00 C ATOM 166 CD2 LEU A 14 -10.319 -5.177 -1.894 1.00 0.00 C ATOM 0 H LEU A 14 -10.746 -5.910 1.221 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.498 -6.756 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.839 -4.036 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.067 -4.440 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.046 -4.585 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.183 -2.639 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.221 -2.283 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.407 -2.595 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.244 -4.923 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.470 -4.969 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.327 -6.236 -1.635 1.00 0.00 H new ATOM 178 N THR A 15 -6.485 -6.721 1.180 1.00 0.00 N ATOM 179 CA THR A 15 -5.338 -6.871 2.067 1.00 0.00 C ATOM 180 C THR A 15 -4.028 -6.741 1.298 1.00 0.00 C ATOM 181 O THR A 15 -3.998 -6.877 0.075 1.00 0.00 O ATOM 182 CB THR A 15 -5.362 -8.230 2.792 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.164 -8.398 3.557 1.00 0.00 O ATOM 184 CG2 THR A 15 -5.499 -9.372 1.796 1.00 0.00 C ATOM 0 H THR A 15 -6.315 -7.015 0.218 1.00 0.00 H new ATOM 0 HA THR A 15 -5.403 -6.072 2.806 1.00 0.00 H new ATOM 0 HB THR A 15 -6.224 -8.246 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.188 -9.263 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.514 -10.322 2.331 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.427 -9.257 1.236 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.655 -9.357 1.107 1.00 0.00 H new ATOM 192 N VAL A 16 -2.946 -6.478 2.023 1.00 0.00 N ATOM 193 CA VAL A 16 -1.631 -6.331 1.410 1.00 0.00 C ATOM 194 C VAL A 16 -0.592 -7.187 2.125 1.00 0.00 C ATOM 195 O VAL A 16 -0.482 -7.155 3.352 1.00 0.00 O ATOM 196 CB VAL A 16 -1.167 -4.863 1.421 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.175 -4.721 0.719 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.214 -3.969 0.773 1.00 0.00 C ATOM 0 H VAL A 16 -2.954 -6.362 3.036 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.725 -6.666 0.377 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.043 -4.547 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.486 -3.677 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.920 -5.330 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.082 -5.054 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.870 -2.935 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.372 -4.283 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.151 -4.048 1.324 1.00 0.00 H new ATOM 208 N THR A 17 0.171 -7.953 1.351 1.00 0.00 N ATOM 209 CA THR A 17 1.202 -8.818 1.911 1.00 0.00 C ATOM 210 C THR A 17 2.581 -8.441 1.384 1.00 0.00 C ATOM 211 O THR A 17 3.471 -8.075 2.152 1.00 0.00 O ATOM 212 CB THR A 17 0.928 -10.299 1.588 1.00 0.00 C ATOM 213 OG1 THR A 17 0.819 -10.479 0.171 1.00 0.00 O ATOM 214 CG2 THR A 17 -0.349 -10.773 2.265 1.00 0.00 C ATOM 0 H THR A 17 0.094 -7.992 0.335 1.00 0.00 H new ATOM 0 HA THR A 17 1.179 -8.679 2.992 1.00 0.00 H new ATOM 0 HB THR A 17 1.761 -10.891 1.966 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.647 -11.423 -0.026 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.522 -11.822 2.022 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.251 -10.662 3.345 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.190 -10.176 1.913 1.00 0.00 H new ATOM 222 N SER A 18 2.753 -8.532 0.069 1.00 0.00 N ATOM 223 CA SER A 18 4.026 -8.203 -0.561 1.00 0.00 C ATOM 224 C SER A 18 4.676 -7.004 0.122 1.00 0.00 C ATOM 225 O SER A 18 5.875 -7.011 0.407 1.00 0.00 O ATOM 226 CB SER A 18 3.823 -7.909 -2.048 1.00 0.00 C ATOM 227 OG SER A 18 3.846 -9.102 -2.812 1.00 0.00 O ATOM 0 H SER A 18 2.026 -8.831 -0.581 1.00 0.00 H new ATOM 0 HA SER A 18 4.688 -9.062 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.871 -7.398 -2.194 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.604 -7.234 -2.398 1.00 0.00 H new ATOM 0 HG SER A 18 3.712 -8.887 -3.759 1.00 0.00 H new ATOM 233 N LEU A 19 3.878 -5.975 0.382 1.00 0.00 N ATOM 234 CA LEU A 19 4.373 -4.767 1.032 1.00 0.00 C ATOM 235 C LEU A 19 5.376 -5.111 2.130 1.00 0.00 C ATOM 236 O LEU A 19 5.265 -6.150 2.779 1.00 0.00 O ATOM 237 CB LEU A 19 3.210 -3.966 1.621 1.00 0.00 C ATOM 238 CG LEU A 19 3.578 -2.644 2.295 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.870 -1.576 1.251 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.464 -2.191 3.226 1.00 0.00 C ATOM 0 H LEU A 19 2.884 -5.953 0.152 1.00 0.00 H new ATOM 0 HA LEU A 19 4.878 -4.161 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.498 -3.758 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.697 -4.592 2.351 1.00 0.00 H new ATOM 0 HG LEU A 19 4.479 -2.800 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.130 -0.642 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.702 -1.897 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.987 -1.423 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.744 -1.249 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.546 -2.053 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.303 -2.947 3.995 1.00 0.00 H new ATOM 252 N GLN A 20 6.351 -4.230 2.330 1.00 0.00 N ATOM 253 CA GLN A 20 7.371 -4.441 3.350 1.00 0.00 C ATOM 254 C GLN A 20 7.285 -3.373 4.435 1.00 0.00 C ATOM 255 O GLN A 20 7.890 -2.307 4.319 1.00 0.00 O ATOM 256 CB GLN A 20 8.764 -4.432 2.718 1.00 0.00 C ATOM 257 CG GLN A 20 9.799 -5.210 3.514 1.00 0.00 C ATOM 258 CD GLN A 20 9.695 -6.707 3.300 1.00 0.00 C ATOM 259 OE1 GLN A 20 8.819 -7.367 3.860 1.00 0.00 O ATOM 260 NE2 GLN A 20 10.590 -7.253 2.485 1.00 0.00 N ATOM 0 H GLN A 20 6.456 -3.365 1.800 1.00 0.00 H new ATOM 0 HA GLN A 20 7.194 -5.414 3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.701 -4.851 1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.099 -3.400 2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.797 -4.875 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.678 -4.989 4.574 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.299 -6.669 2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.568 -8.256 2.302 1.00 0.00 H new ATOM 269 N GLU A 21 6.530 -3.666 5.490 1.00 0.00 N ATOM 270 CA GLU A 21 6.365 -2.729 6.595 1.00 0.00 C ATOM 271 C GLU A 21 7.665 -1.979 6.871 1.00 0.00 C ATOM 272 O GLU A 21 7.653 -0.793 7.203 1.00 0.00 O ATOM 273 CB GLU A 21 5.912 -3.468 7.855 1.00 0.00 C ATOM 274 CG GLU A 21 4.545 -4.118 7.722 1.00 0.00 C ATOM 275 CD GLU A 21 4.172 -4.947 8.935 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.240 -4.412 10.062 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.813 -6.130 8.759 1.00 0.00 O ATOM 0 H GLU A 21 6.024 -4.544 5.602 1.00 0.00 H new ATOM 0 HA GLU A 21 5.601 -2.004 6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.647 -4.235 8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.892 -2.767 8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.792 -3.344 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.533 -4.752 6.836 1.00 0.00 H new ATOM 284 N THR A 22 8.787 -2.679 6.732 1.00 0.00 N ATOM 285 CA THR A 22 10.095 -2.082 6.968 1.00 0.00 C ATOM 286 C THR A 22 11.154 -2.705 6.067 1.00 0.00 C ATOM 287 O THR A 22 11.299 -3.926 6.014 1.00 0.00 O ATOM 288 CB THR A 22 10.529 -2.242 8.437 1.00 0.00 C ATOM 289 OG1 THR A 22 10.746 -3.625 8.736 1.00 0.00 O ATOM 290 CG2 THR A 22 9.475 -1.674 9.377 1.00 0.00 C ATOM 0 H THR A 22 8.815 -3.661 6.457 1.00 0.00 H new ATOM 0 HA THR A 22 10.004 -1.021 6.737 1.00 0.00 H new ATOM 0 HB THR A 22 11.458 -1.690 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.893 -4.121 7.903 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.803 -1.798 10.409 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.333 -0.614 9.166 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.533 -2.203 9.230 1.00 0.00 H new ATOM 298 N GLY A 23 11.895 -1.858 5.358 1.00 0.00 N ATOM 299 CA GLY A 23 12.933 -2.345 4.469 1.00 0.00 C ATOM 300 C GLY A 23 13.063 -1.504 3.214 1.00 0.00 C ATOM 301 O GLY A 23 14.007 -1.672 2.440 1.00 0.00 O ATOM 0 H GLY A 23 11.794 -0.843 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.886 -2.353 4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.715 -3.376 4.191 1.00 0.00 H new ATOM 305 N LEU A 24 12.114 -0.598 3.011 1.00 0.00 N ATOM 306 CA LEU A 24 12.125 0.272 1.839 1.00 0.00 C ATOM 307 C LEU A 24 13.035 1.475 2.063 1.00 0.00 C ATOM 308 O LEU A 24 13.157 1.976 3.182 1.00 0.00 O ATOM 309 CB LEU A 24 10.706 0.745 1.517 1.00 0.00 C ATOM 310 CG LEU A 24 9.640 -0.347 1.425 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.276 0.261 1.135 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.009 -1.365 0.356 1.00 0.00 C ATOM 0 H LEU A 24 11.327 -0.446 3.642 1.00 0.00 H new ATOM 0 HA LEU A 24 12.511 -0.301 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.400 1.460 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.730 1.282 0.569 1.00 0.00 H new ATOM 0 HG LEU A 24 9.590 -0.860 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.530 -0.531 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.007 0.950 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.312 0.800 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.239 -2.135 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.088 -0.866 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.965 -1.825 0.606 1.00 0.00 H new ATOM 324 N LYS A 25 13.672 1.936 0.992 1.00 0.00 N ATOM 325 CA LYS A 25 14.569 3.083 1.069 1.00 0.00 C ATOM 326 C LYS A 25 13.984 4.282 0.329 1.00 0.00 C ATOM 327 O LYS A 25 12.921 4.187 -0.283 1.00 0.00 O ATOM 328 CB LYS A 25 15.937 2.726 0.484 1.00 0.00 C ATOM 329 CG LYS A 25 16.906 2.157 1.506 1.00 0.00 C ATOM 330 CD LYS A 25 18.282 1.930 0.904 1.00 0.00 C ATOM 331 CE LYS A 25 19.153 3.172 1.018 1.00 0.00 C ATOM 332 NZ LYS A 25 20.602 2.844 0.912 1.00 0.00 N ATOM 0 H LYS A 25 13.584 1.532 0.059 1.00 0.00 H new ATOM 0 HA LYS A 25 14.688 3.350 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.802 2.001 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.376 3.618 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.986 2.840 2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.517 1.215 1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.768 1.096 1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.180 1.651 -0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.882 3.879 0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.961 3.664 1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.162 3.716 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.866 2.189 1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.790 2.397 -0.008 1.00 0.00 H new ATOM 346 N VAL A 26 14.687 5.408 0.388 1.00 0.00 N ATOM 347 CA VAL A 26 14.239 6.625 -0.279 1.00 0.00 C ATOM 348 C VAL A 26 14.530 6.570 -1.774 1.00 0.00 C ATOM 349 O VAL A 26 15.324 5.751 -2.233 1.00 0.00 O ATOM 350 CB VAL A 26 14.915 7.874 0.319 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.424 7.799 0.146 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.358 9.137 -0.321 1.00 0.00 C ATOM 0 H VAL A 26 15.569 5.503 0.891 1.00 0.00 H new ATOM 0 HA VAL A 26 13.162 6.694 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 26 14.698 7.908 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.884 8.690 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 26 16.805 6.913 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.666 7.740 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.846 10.010 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.544 9.113 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.285 9.194 -0.140 1.00 0.00 H new ATOM 362 N ASN A 27 13.880 7.450 -2.530 1.00 0.00 N ATOM 363 CA ASN A 27 14.069 7.502 -3.976 1.00 0.00 C ATOM 364 C ASN A 27 14.168 6.097 -4.562 1.00 0.00 C ATOM 365 O ASN A 27 14.816 5.887 -5.587 1.00 0.00 O ATOM 366 CB ASN A 27 15.328 8.300 -4.318 1.00 0.00 C ATOM 367 CG ASN A 27 16.592 7.631 -3.811 1.00 0.00 C ATOM 368 OD1 ASN A 27 16.863 6.472 -4.125 1.00 0.00 O ATOM 369 ND2 ASN A 27 17.372 8.361 -3.023 1.00 0.00 N ATOM 0 H ASN A 27 13.219 8.136 -2.166 1.00 0.00 H new ATOM 0 HA ASN A 27 13.203 7.998 -4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.394 8.424 -5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.250 9.298 -3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 27 18.236 7.965 -2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.108 9.318 -2.789 1.00 0.00 H new ATOM 376 N GLN A 28 13.520 5.140 -3.905 1.00 0.00 N ATOM 377 CA GLN A 28 13.535 3.756 -4.362 1.00 0.00 C ATOM 378 C GLN A 28 12.151 3.322 -4.833 1.00 0.00 C ATOM 379 O GLN A 28 11.131 3.651 -4.227 1.00 0.00 O ATOM 380 CB GLN A 28 14.018 2.832 -3.242 1.00 0.00 C ATOM 381 CG GLN A 28 15.528 2.664 -3.201 1.00 0.00 C ATOM 382 CD GLN A 28 15.952 1.359 -2.556 1.00 0.00 C ATOM 383 OE1 GLN A 28 15.119 0.595 -2.068 1.00 0.00 O ATOM 384 NE2 GLN A 28 17.254 1.097 -2.551 1.00 0.00 N ATOM 0 H GLN A 28 12.979 5.298 -3.055 1.00 0.00 H new ATOM 0 HA GLN A 28 14.223 3.686 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.679 3.227 -2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.555 1.853 -3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.923 2.708 -4.216 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.968 3.496 -2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.909 1.759 -2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.599 0.234 -2.131 1.00 0.00 H new ATOM 393 N PRO A 29 12.112 2.567 -5.941 1.00 0.00 N ATOM 394 CA PRO A 29 10.858 2.072 -6.518 1.00 0.00 C ATOM 395 C PRO A 29 10.201 1.005 -5.649 1.00 0.00 C ATOM 396 O PRO A 29 10.544 -0.174 -5.732 1.00 0.00 O ATOM 397 CB PRO A 29 11.296 1.476 -7.858 1.00 0.00 C ATOM 398 CG PRO A 29 12.727 1.112 -7.662 1.00 0.00 C ATOM 399 CD PRO A 29 13.288 2.137 -6.715 1.00 0.00 C ATOM 0 HA PRO A 29 10.112 2.861 -6.610 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.697 0.603 -8.117 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.178 2.195 -8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.821 0.107 -7.250 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.265 1.120 -8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.058 1.711 -6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.744 2.971 -7.249 1.00 0.00 H new ATOM 407 N ALA A 30 9.255 1.427 -4.816 1.00 0.00 N ATOM 408 CA ALA A 30 8.549 0.507 -3.934 1.00 0.00 C ATOM 409 C ALA A 30 7.156 0.193 -4.470 1.00 0.00 C ATOM 410 O ALA A 30 6.335 1.091 -4.654 1.00 0.00 O ATOM 411 CB ALA A 30 8.458 1.087 -2.530 1.00 0.00 C ATOM 0 H ALA A 30 8.960 2.400 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 30 9.113 -0.425 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.928 0.389 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.462 1.254 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.919 2.034 -2.562 1.00 0.00 H new ATOM 417 N SER A 31 6.898 -1.087 -4.718 1.00 0.00 N ATOM 418 CA SER A 31 5.605 -1.519 -5.238 1.00 0.00 C ATOM 419 C SER A 31 5.173 -2.832 -4.594 1.00 0.00 C ATOM 420 O SER A 31 6.003 -3.684 -4.275 1.00 0.00 O ATOM 421 CB SER A 31 5.671 -1.681 -6.758 1.00 0.00 C ATOM 422 OG SER A 31 6.972 -2.059 -7.175 1.00 0.00 O ATOM 0 H SER A 31 7.566 -1.843 -4.568 1.00 0.00 H new ATOM 0 HA SER A 31 4.868 -0.754 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.950 -2.433 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.389 -0.744 -7.239 1.00 0.00 H new ATOM 0 HG SER A 31 6.987 -2.158 -8.150 1.00 0.00 H new ATOM 428 N PHE A 32 3.867 -2.989 -4.404 1.00 0.00 N ATOM 429 CA PHE A 32 3.322 -4.198 -3.797 1.00 0.00 C ATOM 430 C PHE A 32 2.026 -4.616 -4.486 1.00 0.00 C ATOM 431 O PHE A 32 1.536 -3.927 -5.381 1.00 0.00 O ATOM 432 CB PHE A 32 3.069 -3.975 -2.304 1.00 0.00 C ATOM 433 CG PHE A 32 2.712 -2.557 -1.962 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.659 -1.550 -2.049 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.429 -2.231 -1.553 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.333 -0.244 -1.734 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.097 -0.928 -1.237 1.00 0.00 C ATOM 438 CZ PHE A 32 2.050 0.068 -1.328 1.00 0.00 C ATOM 0 H PHE A 32 3.166 -2.294 -4.662 1.00 0.00 H new ATOM 0 HA PHE A 32 4.053 -4.997 -3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.263 -4.633 -1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.960 -4.262 -1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.664 -1.788 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.679 -3.005 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.081 0.532 -1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.093 -0.688 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.793 1.088 -1.082 1.00 0.00 H new ATOM 448 N ALA A 33 1.478 -5.751 -4.064 1.00 0.00 N ATOM 449 CA ALA A 33 0.239 -6.261 -4.638 1.00 0.00 C ATOM 450 C ALA A 33 -0.920 -6.118 -3.659 1.00 0.00 C ATOM 451 O ALA A 33 -0.766 -6.351 -2.460 1.00 0.00 O ATOM 452 CB ALA A 33 0.408 -7.716 -5.050 1.00 0.00 C ATOM 0 H ALA A 33 1.873 -6.335 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 33 0.007 -5.668 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.525 -8.084 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.202 -7.794 -5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.668 -8.314 -4.176 1.00 0.00 H new ATOM 458 N VAL A 34 -2.082 -5.732 -4.176 1.00 0.00 N ATOM 459 CA VAL A 34 -3.269 -5.558 -3.347 1.00 0.00 C ATOM 460 C VAL A 34 -4.371 -6.529 -3.754 1.00 0.00 C ATOM 461 O VAL A 34 -5.053 -6.323 -4.758 1.00 0.00 O ATOM 462 CB VAL A 34 -3.809 -4.118 -3.435 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.050 -3.959 -2.569 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.735 -3.120 -3.031 1.00 0.00 C ATOM 0 H VAL A 34 -2.227 -5.534 -5.166 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.970 -5.763 -2.319 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.089 -3.916 -4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.417 -2.935 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.823 -4.648 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.800 -4.180 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.134 -2.108 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.421 -3.318 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.878 -3.218 -3.698 1.00 0.00 H new ATOM 474 N GLN A 35 -4.541 -7.587 -2.968 1.00 0.00 N ATOM 475 CA GLN A 35 -5.561 -8.590 -3.247 1.00 0.00 C ATOM 476 C GLN A 35 -6.929 -8.126 -2.758 1.00 0.00 C ATOM 477 O GLN A 35 -7.033 -7.404 -1.765 1.00 0.00 O ATOM 478 CB GLN A 35 -5.194 -9.920 -2.586 1.00 0.00 C ATOM 479 CG GLN A 35 -6.011 -11.097 -3.092 1.00 0.00 C ATOM 480 CD GLN A 35 -5.574 -12.415 -2.484 1.00 0.00 C ATOM 481 OE1 GLN A 35 -5.247 -12.488 -1.299 1.00 0.00 O ATOM 482 NE2 GLN A 35 -5.566 -13.467 -3.295 1.00 0.00 N ATOM 0 H GLN A 35 -3.985 -7.772 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.610 -8.731 -4.327 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.137 -10.122 -2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.330 -9.830 -1.508 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.064 -10.928 -2.865 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.924 -11.155 -4.177 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.845 -13.361 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.281 -14.381 -2.942 1.00 0.00 H new ATOM 491 N LEU A 36 -7.976 -8.545 -3.460 1.00 0.00 N ATOM 492 CA LEU A 36 -9.339 -8.172 -3.097 1.00 0.00 C ATOM 493 C LEU A 36 -10.033 -9.306 -2.350 1.00 0.00 C ATOM 494 O LEU A 36 -10.800 -9.070 -1.417 1.00 0.00 O ATOM 495 CB LEU A 36 -10.139 -7.806 -4.349 1.00 0.00 C ATOM 496 CG LEU A 36 -9.375 -7.052 -5.437 1.00 0.00 C ATOM 497 CD1 LEU A 36 -10.090 -7.174 -6.774 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.203 -5.589 -5.053 1.00 0.00 C ATOM 0 H LEU A 36 -7.908 -9.143 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.289 -7.305 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.537 -8.723 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.993 -7.200 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.386 -7.499 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.531 -6.631 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.160 -8.225 -7.055 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.092 -6.754 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.657 -5.068 -5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.183 -5.129 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.646 -5.521 -4.119 1.00 0.00 H new ATOM 510 N ASN A 37 -9.757 -10.538 -2.766 1.00 0.00 N ATOM 511 CA ASN A 37 -10.354 -11.709 -2.134 1.00 0.00 C ATOM 512 C ASN A 37 -11.873 -11.690 -2.277 1.00 0.00 C ATOM 513 O ASN A 37 -12.601 -11.879 -1.304 1.00 0.00 O ATOM 514 CB ASN A 37 -9.971 -11.768 -0.654 1.00 0.00 C ATOM 515 CG ASN A 37 -8.481 -11.965 -0.450 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.732 -10.868 -0.462 1.00 0.00 O flip ATOM 517 ND2 ASN A 37 -8.009 -13.089 -0.284 1.00 0.00 N flip ATOM 0 H ASN A 37 -9.124 -10.751 -3.537 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.970 -12.597 -2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.283 -10.846 -0.164 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.512 -12.584 -0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.622 -13.904 -0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.005 -13.206 -0.148 1.00 0.00 H new ATOM 524 N GLY A 38 -12.344 -11.460 -3.499 1.00 0.00 N ATOM 525 CA GLY A 38 -13.773 -11.421 -3.748 1.00 0.00 C ATOM 526 C GLY A 38 -14.269 -10.023 -4.063 1.00 0.00 C ATOM 527 O GLY A 38 -15.193 -9.849 -4.857 1.00 0.00 O ATOM 0 H GLY A 38 -11.761 -11.300 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.012 -12.084 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.301 -11.802 -2.874 1.00 0.00 H new ATOM 531 N ALA A 39 -13.654 -9.024 -3.439 1.00 0.00 N ATOM 532 CA ALA A 39 -14.037 -7.635 -3.657 1.00 0.00 C ATOM 533 C ALA A 39 -13.922 -7.259 -5.131 1.00 0.00 C ATOM 534 O ALA A 39 -13.095 -7.809 -5.858 1.00 0.00 O ATOM 535 CB ALA A 39 -13.180 -6.710 -2.806 1.00 0.00 C ATOM 0 H ALA A 39 -12.888 -9.151 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.079 -7.521 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.478 -5.676 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.316 -6.955 -1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.131 -6.836 -3.075 1.00 0.00 H new ATOM 541 N ARG A 40 -14.756 -6.320 -5.564 1.00 0.00 N ATOM 542 CA ARG A 40 -14.749 -5.872 -6.951 1.00 0.00 C ATOM 543 C ARG A 40 -14.992 -4.368 -7.039 1.00 0.00 C ATOM 544 O ARG A 40 -16.091 -3.890 -6.761 1.00 0.00 O ATOM 545 CB ARG A 40 -15.813 -6.619 -7.757 1.00 0.00 C ATOM 546 CG ARG A 40 -15.711 -6.395 -9.257 1.00 0.00 C ATOM 547 CD ARG A 40 -14.554 -7.175 -9.859 1.00 0.00 C ATOM 548 NE ARG A 40 -14.933 -8.544 -10.197 1.00 0.00 N ATOM 549 CZ ARG A 40 -14.290 -9.285 -11.092 1.00 0.00 C ATOM 550 NH1 ARG A 40 -13.241 -8.792 -11.736 1.00 0.00 N ATOM 551 NH2 ARG A 40 -14.695 -10.523 -11.345 1.00 0.00 N ATOM 0 H ARG A 40 -15.446 -5.854 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.767 -6.089 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.730 -7.686 -7.551 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.800 -6.305 -7.418 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.643 -6.697 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.579 -5.332 -9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.201 -6.665 -10.755 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.723 -7.193 -9.154 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.736 -8.954 -9.719 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.926 -7.841 -11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.749 -9.364 -12.423 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.501 -10.907 -10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.200 -11.091 -12.033 1.00 0.00 H new ATOM 565 N GLY A 41 -13.958 -3.628 -7.426 1.00 0.00 N ATOM 566 CA GLY A 41 -14.080 -2.186 -7.542 1.00 0.00 C ATOM 567 C GLY A 41 -12.844 -1.546 -8.143 1.00 0.00 C ATOM 568 O GLY A 41 -12.246 -2.086 -9.074 1.00 0.00 O ATOM 0 H GLY A 41 -13.038 -4.001 -7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.946 -1.946 -8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.263 -1.759 -6.556 1.00 0.00 H new ATOM 572 N VAL A 42 -12.459 -0.391 -7.610 1.00 0.00 N ATOM 573 CA VAL A 42 -11.287 0.324 -8.100 1.00 0.00 C ATOM 574 C VAL A 42 -10.334 0.663 -6.960 1.00 0.00 C ATOM 575 O VAL A 42 -10.688 1.402 -6.040 1.00 0.00 O ATOM 576 CB VAL A 42 -11.684 1.623 -8.826 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.446 2.381 -9.281 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.595 1.317 -10.005 1.00 0.00 C ATOM 0 H VAL A 42 -12.942 0.070 -6.839 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.785 -0.338 -8.805 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.232 2.256 -8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.747 3.296 -9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.835 2.633 -8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.868 1.758 -9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.866 2.246 -10.506 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.075 0.664 -10.706 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.498 0.821 -9.648 1.00 0.00 H new ATOM 588 N ILE A 43 -9.123 0.119 -7.026 1.00 0.00 N ATOM 589 CA ILE A 43 -8.118 0.366 -5.999 1.00 0.00 C ATOM 590 C ILE A 43 -7.307 1.618 -6.313 1.00 0.00 C ATOM 591 O ILE A 43 -6.536 1.646 -7.273 1.00 0.00 O ATOM 592 CB ILE A 43 -7.159 -0.830 -5.852 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.941 -2.099 -5.505 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.111 -0.541 -4.788 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.383 -2.161 -4.060 1.00 0.00 C ATOM 0 H ILE A 43 -8.814 -0.495 -7.779 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.654 0.510 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.650 -0.987 -6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.819 -2.162 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.322 -2.969 -5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.441 -1.396 -4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.537 0.341 -5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.603 -0.361 -3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.931 -3.087 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.508 -2.130 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.029 -1.311 -3.840 1.00 0.00 H new ATOM 607 N ASP A 44 -7.485 2.651 -5.498 1.00 0.00 N ATOM 608 CA ASP A 44 -6.767 3.907 -5.687 1.00 0.00 C ATOM 609 C ASP A 44 -5.795 4.155 -4.537 1.00 0.00 C ATOM 610 O ASP A 44 -6.207 4.342 -3.393 1.00 0.00 O ATOM 611 CB ASP A 44 -7.753 5.071 -5.798 1.00 0.00 C ATOM 612 CG ASP A 44 -8.191 5.324 -7.227 1.00 0.00 C ATOM 613 OD1 ASP A 44 -7.335 5.712 -8.049 1.00 0.00 O ATOM 614 OD2 ASP A 44 -9.389 5.134 -7.523 1.00 0.00 O ATOM 0 H ASP A 44 -8.120 2.644 -4.700 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.196 3.835 -6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.629 4.861 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.292 5.974 -5.397 1.00 0.00 H new ATOM 619 N ALA A 45 -4.504 4.153 -4.850 1.00 0.00 N ATOM 620 CA ALA A 45 -3.473 4.379 -3.844 1.00 0.00 C ATOM 621 C ALA A 45 -2.823 5.747 -4.022 1.00 0.00 C ATOM 622 O ALA A 45 -2.585 6.190 -5.145 1.00 0.00 O ATOM 623 CB ALA A 45 -2.422 3.281 -3.909 1.00 0.00 C ATOM 0 H ALA A 45 -4.147 3.997 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.947 4.356 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.659 3.463 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.893 2.315 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.960 3.277 -4.896 1.00 0.00 H new ATOM 629 N ARG A 46 -2.540 6.412 -2.906 1.00 0.00 N ATOM 630 CA ARG A 46 -1.919 7.731 -2.939 1.00 0.00 C ATOM 631 C ARG A 46 -0.987 7.923 -1.747 1.00 0.00 C ATOM 632 O ARG A 46 -1.369 7.684 -0.601 1.00 0.00 O ATOM 633 CB ARG A 46 -2.991 8.822 -2.943 1.00 0.00 C ATOM 634 CG ARG A 46 -3.455 9.215 -4.336 1.00 0.00 C ATOM 635 CD ARG A 46 -4.633 10.175 -4.281 1.00 0.00 C ATOM 636 NE ARG A 46 -5.412 10.157 -5.516 1.00 0.00 N ATOM 637 CZ ARG A 46 -6.427 10.980 -5.757 1.00 0.00 C ATOM 638 NH1 ARG A 46 -6.783 11.882 -4.852 1.00 0.00 N ATOM 639 NH2 ARG A 46 -7.087 10.903 -6.905 1.00 0.00 N ATOM 0 H ARG A 46 -2.731 6.059 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.331 7.806 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.850 8.478 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.601 9.705 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.631 9.679 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.738 8.321 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.277 9.911 -3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.269 11.186 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.163 9.475 -6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.277 11.945 -3.968 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.563 12.513 -5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.816 10.211 -7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.866 11.535 -7.089 1.00 0.00 H new ATOM 653 N VAL A 47 0.239 8.355 -2.024 1.00 0.00 N ATOM 654 CA VAL A 47 1.226 8.580 -0.975 1.00 0.00 C ATOM 655 C VAL A 47 1.267 10.048 -0.564 1.00 0.00 C ATOM 656 O VAL A 47 1.171 10.942 -1.405 1.00 0.00 O ATOM 657 CB VAL A 47 2.633 8.146 -1.426 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.716 6.631 -1.534 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.995 8.804 -2.749 1.00 0.00 C ATOM 0 H VAL A 47 0.573 8.556 -2.967 1.00 0.00 H new ATOM 0 HA VAL A 47 0.923 7.975 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 47 3.353 8.472 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.718 6.343 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.503 6.185 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.987 6.278 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.992 8.486 -3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.273 8.510 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.979 9.888 -2.633 1.00 0.00 H new ATOM 669 N HIS A 48 1.409 10.289 0.736 1.00 0.00 N ATOM 670 CA HIS A 48 1.464 11.649 1.259 1.00 0.00 C ATOM 671 C HIS A 48 2.859 11.974 1.783 1.00 0.00 C ATOM 672 O HIS A 48 3.350 11.335 2.714 1.00 0.00 O ATOM 673 CB HIS A 48 0.433 11.830 2.374 1.00 0.00 C ATOM 674 CG HIS A 48 -0.977 11.922 1.877 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.720 13.082 1.933 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.779 10.990 1.312 1.00 0.00 C ATOM 677 CE1 HIS A 48 -2.919 12.859 1.424 1.00 0.00 C ATOM 678 NE2 HIS A 48 -2.980 11.597 1.040 1.00 0.00 N ATOM 0 H HIS A 48 1.488 9.561 1.446 1.00 0.00 H new ATOM 0 HA HIS A 48 1.233 12.335 0.444 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.511 10.994 3.069 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.671 12.734 2.935 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.522 9.960 1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.714 13.585 1.337 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.788 11.146 0.611 1.00 0.00 H new ATOM 687 N THR A 49 3.495 12.972 1.178 1.00 0.00 N ATOM 688 CA THR A 49 4.835 13.381 1.581 1.00 0.00 C ATOM 689 C THR A 49 4.797 14.189 2.873 1.00 0.00 C ATOM 690 O THR A 49 3.817 14.867 3.182 1.00 0.00 O ATOM 691 CB THR A 49 5.521 14.218 0.485 1.00 0.00 C ATOM 692 OG1 THR A 49 4.750 15.394 0.212 1.00 0.00 O ATOM 693 CG2 THR A 49 5.687 13.407 -0.791 1.00 0.00 C ATOM 0 H THR A 49 3.103 13.512 0.407 1.00 0.00 H new ATOM 0 HA THR A 49 5.409 12.469 1.743 1.00 0.00 H new ATOM 0 HB THR A 49 6.509 14.507 0.844 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.018 15.170 -0.400 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.174 14.019 -1.550 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.298 12.528 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.708 13.092 -1.152 1.00 0.00 H new ATOM 701 N PRO A 50 5.890 14.119 3.648 1.00 0.00 N ATOM 702 CA PRO A 50 6.007 14.839 4.919 1.00 0.00 C ATOM 703 C PRO A 50 6.124 16.347 4.723 1.00 0.00 C ATOM 704 O PRO A 50 6.174 17.106 5.690 1.00 0.00 O ATOM 705 CB PRO A 50 7.294 14.278 5.528 1.00 0.00 C ATOM 706 CG PRO A 50 8.093 13.810 4.361 1.00 0.00 C ATOM 707 CD PRO A 50 7.096 13.331 3.342 1.00 0.00 C ATOM 0 HA PRO A 50 5.127 14.702 5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.829 15.040 6.094 1.00 0.00 H new ATOM 0 HB3 PRO A 50 7.082 13.460 6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.705 14.617 3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.772 13.008 4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.444 13.508 2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.911 12.261 3.433 1.00 0.00 H new ATOM 715 N SER A 51 6.165 16.773 3.465 1.00 0.00 N ATOM 716 CA SER A 51 6.279 18.191 3.142 1.00 0.00 C ATOM 717 C SER A 51 4.901 18.839 3.048 1.00 0.00 C ATOM 718 O SER A 51 4.533 19.663 3.885 1.00 0.00 O ATOM 719 CB SER A 51 7.033 18.376 1.823 1.00 0.00 C ATOM 720 OG SER A 51 8.359 17.887 1.921 1.00 0.00 O ATOM 0 H SER A 51 6.121 16.157 2.653 1.00 0.00 H new ATOM 0 HA SER A 51 6.836 18.677 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.507 17.853 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.050 19.433 1.556 1.00 0.00 H new ATOM 0 HG SER A 51 8.347 16.980 2.291 1.00 0.00 H new ATOM 726 N GLY A 52 4.144 18.461 2.023 1.00 0.00 N ATOM 727 CA GLY A 52 2.816 19.015 1.838 1.00 0.00 C ATOM 728 C GLY A 52 2.336 18.903 0.404 1.00 0.00 C ATOM 729 O GLY A 52 1.615 19.772 -0.085 1.00 0.00 O ATOM 0 H GLY A 52 4.427 17.781 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.115 18.498 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.818 20.063 2.136 1.00 0.00 H new ATOM 733 N ALA A 53 2.738 17.832 -0.271 1.00 0.00 N ATOM 734 CA ALA A 53 2.344 17.610 -1.657 1.00 0.00 C ATOM 735 C ALA A 53 1.722 16.229 -1.837 1.00 0.00 C ATOM 736 O ALA A 53 2.361 15.210 -1.576 1.00 0.00 O ATOM 737 CB ALA A 53 3.543 17.775 -2.579 1.00 0.00 C ATOM 0 H ALA A 53 3.336 17.104 0.119 1.00 0.00 H new ATOM 0 HA ALA A 53 1.592 18.355 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.235 17.606 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.942 18.784 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.313 17.052 -2.308 1.00 0.00 H new ATOM 743 N VAL A 54 0.470 16.203 -2.284 1.00 0.00 N ATOM 744 CA VAL A 54 -0.239 14.947 -2.499 1.00 0.00 C ATOM 745 C VAL A 54 0.245 14.253 -3.767 1.00 0.00 C ATOM 746 O VAL A 54 -0.042 14.699 -4.877 1.00 0.00 O ATOM 747 CB VAL A 54 -1.759 15.171 -2.597 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.469 13.872 -2.949 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.298 15.747 -1.296 1.00 0.00 C ATOM 0 H VAL A 54 -0.074 17.037 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.028 14.312 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.952 15.890 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.542 14.050 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.103 13.506 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.271 13.128 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.374 15.899 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.094 15.054 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.812 16.701 -1.092 1.00 0.00 H new ATOM 759 N GLU A 55 0.980 13.160 -3.593 1.00 0.00 N ATOM 760 CA GLU A 55 1.504 12.404 -4.725 1.00 0.00 C ATOM 761 C GLU A 55 0.504 11.347 -5.183 1.00 0.00 C ATOM 762 O GLU A 55 -0.465 11.051 -4.485 1.00 0.00 O ATOM 763 CB GLU A 55 2.831 11.739 -4.352 1.00 0.00 C ATOM 764 CG GLU A 55 4.041 12.632 -4.569 1.00 0.00 C ATOM 765 CD GLU A 55 4.294 12.927 -6.034 1.00 0.00 C ATOM 766 OE1 GLU A 55 4.036 12.037 -6.871 1.00 0.00 O ATOM 767 OE2 GLU A 55 4.749 14.048 -6.345 1.00 0.00 O ATOM 0 H GLU A 55 1.226 12.778 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 55 1.673 13.100 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.795 11.438 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.950 10.830 -4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.896 13.570 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.922 12.154 -4.141 1.00 0.00 H new ATOM 774 N GLU A 56 0.747 10.783 -6.362 1.00 0.00 N ATOM 775 CA GLU A 56 -0.134 9.760 -6.914 1.00 0.00 C ATOM 776 C GLU A 56 0.638 8.476 -7.204 1.00 0.00 C ATOM 777 O GLU A 56 1.790 8.516 -7.639 1.00 0.00 O ATOM 778 CB GLU A 56 -0.801 10.266 -8.195 1.00 0.00 C ATOM 779 CG GLU A 56 0.185 10.613 -9.298 1.00 0.00 C ATOM 780 CD GLU A 56 -0.367 11.635 -10.273 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.556 12.801 -9.866 1.00 0.00 O ATOM 782 OE2 GLU A 56 -0.611 11.270 -11.442 1.00 0.00 O ATOM 0 H GLU A 56 1.545 11.017 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.904 9.542 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.490 9.505 -8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.396 11.148 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.102 10.999 -8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.452 9.706 -9.840 1.00 0.00 H new ATOM 789 N CYS A 57 -0.003 7.339 -6.959 1.00 0.00 N ATOM 790 CA CYS A 57 0.623 6.042 -7.192 1.00 0.00 C ATOM 791 C CYS A 57 0.234 5.488 -8.558 1.00 0.00 C ATOM 792 O CYS A 57 -0.533 6.108 -9.296 1.00 0.00 O ATOM 793 CB CYS A 57 0.223 5.055 -6.095 1.00 0.00 C ATOM 794 SG CYS A 57 0.262 5.750 -4.426 1.00 0.00 S ATOM 0 H CYS A 57 -0.956 7.289 -6.599 1.00 0.00 H new ATOM 0 HA CYS A 57 1.704 6.179 -7.171 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.782 4.688 -6.301 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.891 4.194 -6.134 1.00 0.00 H new ATOM 0 HG CYS A 57 1.236 5.211 -3.754 1.00 0.00 H new ATOM 800 N TYR A 58 0.768 4.318 -8.890 1.00 0.00 N ATOM 801 CA TYR A 58 0.480 3.682 -10.170 1.00 0.00 C ATOM 802 C TYR A 58 0.022 2.240 -9.971 1.00 0.00 C ATOM 803 O TYR A 58 0.704 1.444 -9.325 1.00 0.00 O ATOM 804 CB TYR A 58 1.716 3.717 -11.071 1.00 0.00 C ATOM 805 CG TYR A 58 1.454 3.231 -12.478 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.133 1.902 -12.727 1.00 0.00 C ATOM 807 CD2 TYR A 58 1.527 4.100 -13.560 1.00 0.00 C ATOM 808 CE1 TYR A 58 0.893 1.454 -14.012 1.00 0.00 C ATOM 809 CE2 TYR A 58 1.288 3.661 -14.847 1.00 0.00 C ATOM 810 CZ TYR A 58 0.971 2.337 -15.068 1.00 0.00 C ATOM 811 OH TYR A 58 0.733 1.895 -16.349 1.00 0.00 O ATOM 0 H TYR A 58 1.403 3.791 -8.290 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.326 4.237 -10.649 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.096 4.738 -11.113 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.499 3.104 -10.624 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.070 1.208 -11.902 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.775 5.137 -13.391 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.646 0.418 -14.188 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.349 4.350 -15.676 1.00 0.00 H new ATOM 0 HH TYR A 58 0.827 2.642 -16.976 1.00 0.00 H new ATOM 821 N VAL A 59 -1.137 1.911 -10.532 1.00 0.00 N ATOM 822 CA VAL A 59 -1.686 0.565 -10.419 1.00 0.00 C ATOM 823 C VAL A 59 -2.020 -0.009 -11.792 1.00 0.00 C ATOM 824 O VAL A 59 -2.694 0.632 -12.598 1.00 0.00 O ATOM 825 CB VAL A 59 -2.955 0.549 -9.546 1.00 0.00 C ATOM 826 CG1 VAL A 59 -2.799 1.486 -8.359 1.00 0.00 C ATOM 827 CG2 VAL A 59 -4.176 0.923 -10.374 1.00 0.00 C ATOM 0 H VAL A 59 -1.714 2.558 -11.069 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.921 -0.051 -9.947 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.099 -0.462 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.705 1.461 -7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.950 1.168 -7.754 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.630 2.502 -8.717 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.064 0.907 -9.741 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.043 1.923 -10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.297 0.208 -11.187 1.00 0.00 H new ATOM 837 N SER A 60 -1.543 -1.223 -12.050 1.00 0.00 N ATOM 838 CA SER A 60 -1.787 -1.884 -13.327 1.00 0.00 C ATOM 839 C SER A 60 -3.249 -2.305 -13.450 1.00 0.00 C ATOM 840 O SER A 60 -3.951 -2.445 -12.450 1.00 0.00 O ATOM 841 CB SER A 60 -0.879 -3.106 -13.475 1.00 0.00 C ATOM 842 OG SER A 60 0.389 -2.739 -13.991 1.00 0.00 O ATOM 0 H SER A 60 -0.986 -1.768 -11.392 1.00 0.00 H new ATOM 0 HA SER A 60 -1.562 -1.175 -14.124 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.755 -3.590 -12.506 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.348 -3.834 -14.137 1.00 0.00 H new ATOM 0 HG SER A 60 0.952 -3.537 -14.075 1.00 0.00 H new ATOM 848 N GLU A 61 -3.699 -2.504 -14.685 1.00 0.00 N ATOM 849 CA GLU A 61 -5.077 -2.908 -14.939 1.00 0.00 C ATOM 850 C GLU A 61 -5.474 -4.078 -14.045 1.00 0.00 C ATOM 851 O GLU A 61 -4.664 -4.962 -13.763 1.00 0.00 O ATOM 852 CB GLU A 61 -5.256 -3.291 -16.410 1.00 0.00 C ATOM 853 CG GLU A 61 -5.128 -2.116 -17.365 1.00 0.00 C ATOM 854 CD GLU A 61 -3.701 -1.891 -17.825 1.00 0.00 C ATOM 855 OE1 GLU A 61 -3.179 -2.742 -18.576 1.00 0.00 O ATOM 856 OE2 GLU A 61 -3.105 -0.866 -17.435 1.00 0.00 O ATOM 0 H GLU A 61 -3.130 -2.392 -15.524 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.725 -2.062 -14.710 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.514 -4.045 -16.673 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.236 -3.749 -16.541 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.763 -2.288 -18.234 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.495 -1.214 -16.876 1.00 0.00 H new ATOM 863 N LEU A 62 -6.727 -4.078 -13.602 1.00 0.00 N ATOM 864 CA LEU A 62 -7.233 -5.139 -12.739 1.00 0.00 C ATOM 865 C LEU A 62 -6.880 -6.513 -13.301 1.00 0.00 C ATOM 866 O LEU A 62 -7.508 -6.987 -14.248 1.00 0.00 O ATOM 867 CB LEU A 62 -8.749 -5.015 -12.580 1.00 0.00 C ATOM 868 CG LEU A 62 -9.463 -6.225 -11.977 1.00 0.00 C ATOM 869 CD1 LEU A 62 -9.474 -6.137 -10.459 1.00 0.00 C ATOM 870 CD2 LEU A 62 -10.882 -6.331 -12.517 1.00 0.00 C ATOM 0 H LEU A 62 -7.411 -3.355 -13.826 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.762 -5.034 -11.762 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.959 -4.147 -11.956 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.182 -4.815 -13.560 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.918 -7.124 -12.264 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.986 -7.007 -10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.449 -6.111 -10.089 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.994 -5.230 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.375 -7.198 -12.077 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.437 -5.429 -12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.851 -6.442 -13.601 1.00 0.00 H new ATOM 882 N ASP A 63 -5.874 -7.147 -12.709 1.00 0.00 N ATOM 883 CA ASP A 63 -5.440 -8.469 -13.148 1.00 0.00 C ATOM 884 C ASP A 63 -5.366 -9.435 -11.971 1.00 0.00 C ATOM 885 O ASP A 63 -4.971 -9.057 -10.868 1.00 0.00 O ATOM 886 CB ASP A 63 -4.078 -8.378 -13.837 1.00 0.00 C ATOM 887 CG ASP A 63 -3.338 -9.702 -13.833 1.00 0.00 C ATOM 888 OD1 ASP A 63 -2.829 -10.094 -12.763 1.00 0.00 O ATOM 889 OD2 ASP A 63 -3.270 -10.345 -14.901 1.00 0.00 O ATOM 0 H ASP A 63 -5.344 -6.768 -11.925 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.174 -8.848 -13.859 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.216 -8.045 -14.866 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.470 -7.624 -13.337 1.00 0.00 H new ATOM 894 N SER A 64 -5.749 -10.685 -12.212 1.00 0.00 N ATOM 895 CA SER A 64 -5.730 -11.705 -11.170 1.00 0.00 C ATOM 896 C SER A 64 -6.432 -11.208 -9.910 1.00 0.00 C ATOM 897 O SER A 64 -6.127 -11.648 -8.802 1.00 0.00 O ATOM 898 CB SER A 64 -4.290 -12.103 -10.842 1.00 0.00 C ATOM 899 OG SER A 64 -3.860 -13.180 -11.657 1.00 0.00 O ATOM 0 H SER A 64 -6.076 -11.016 -13.120 1.00 0.00 H new ATOM 0 HA SER A 64 -6.265 -12.579 -11.542 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.631 -11.247 -10.987 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.218 -12.386 -9.792 1.00 0.00 H new ATOM 0 HG SER A 64 -2.936 -13.414 -11.429 1.00 0.00 H new ATOM 905 N ASP A 65 -7.374 -10.288 -10.090 1.00 0.00 N ATOM 906 CA ASP A 65 -8.121 -9.730 -8.968 1.00 0.00 C ATOM 907 C ASP A 65 -7.185 -9.041 -7.981 1.00 0.00 C ATOM 908 O ASP A 65 -7.418 -9.059 -6.772 1.00 0.00 O ATOM 909 CB ASP A 65 -8.913 -10.830 -8.258 1.00 0.00 C ATOM 910 CG ASP A 65 -9.705 -11.689 -9.224 1.00 0.00 C ATOM 911 OD1 ASP A 65 -10.531 -11.130 -9.975 1.00 0.00 O ATOM 912 OD2 ASP A 65 -9.498 -12.920 -9.229 1.00 0.00 O ATOM 0 H ASP A 65 -7.638 -9.913 -11.001 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.816 -8.987 -9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.227 -11.461 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.594 -10.376 -7.538 1.00 0.00 H new ATOM 917 N LYS A 66 -6.124 -8.435 -8.503 1.00 0.00 N ATOM 918 CA LYS A 66 -5.152 -7.739 -7.668 1.00 0.00 C ATOM 919 C LYS A 66 -4.395 -6.690 -8.476 1.00 0.00 C ATOM 920 O LYS A 66 -4.050 -6.914 -9.636 1.00 0.00 O ATOM 921 CB LYS A 66 -4.166 -8.738 -7.058 1.00 0.00 C ATOM 922 CG LYS A 66 -3.560 -9.692 -8.072 1.00 0.00 C ATOM 923 CD LYS A 66 -2.164 -10.129 -7.662 1.00 0.00 C ATOM 924 CE LYS A 66 -1.377 -10.667 -8.848 1.00 0.00 C ATOM 925 NZ LYS A 66 -0.903 -9.573 -9.740 1.00 0.00 N ATOM 0 H LYS A 66 -5.915 -8.412 -9.501 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.692 -7.235 -6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.364 -8.189 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.677 -9.316 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.200 -10.568 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.519 -9.209 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.632 -9.285 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.234 -10.897 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.522 -11.238 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.002 -11.355 -9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.234 -9.958 -10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.715 -9.153 -10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.429 -8.843 -9.172 1.00 0.00 H new ATOM 939 N HIS A 67 -4.137 -5.543 -7.853 1.00 0.00 N ATOM 940 CA HIS A 67 -3.418 -4.460 -8.514 1.00 0.00 C ATOM 941 C HIS A 67 -2.025 -4.288 -7.916 1.00 0.00 C ATOM 942 O HIS A 67 -1.775 -4.678 -6.775 1.00 0.00 O ATOM 943 CB HIS A 67 -4.202 -3.152 -8.394 1.00 0.00 C ATOM 944 CG HIS A 67 -5.528 -3.183 -9.089 1.00 0.00 C ATOM 945 ND1 HIS A 67 -5.712 -2.740 -10.381 1.00 0.00 N ATOM 946 CD2 HIS A 67 -6.741 -3.610 -8.663 1.00 0.00 C ATOM 947 CE1 HIS A 67 -6.979 -2.891 -10.721 1.00 0.00 C ATOM 948 NE2 HIS A 67 -7.625 -3.417 -9.696 1.00 0.00 N ATOM 0 H HIS A 67 -4.415 -5.341 -6.893 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.312 -4.717 -9.568 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.359 -2.928 -7.339 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.603 -2.340 -8.807 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -4.983 -2.355 -10.981 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.970 -4.025 -7.692 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.413 -2.629 -11.675 1.00 0.00 H new ATOM 957 N THR A 68 -1.120 -3.703 -8.694 1.00 0.00 N ATOM 958 CA THR A 68 0.248 -3.482 -8.243 1.00 0.00 C ATOM 959 C THR A 68 0.551 -1.993 -8.116 1.00 0.00 C ATOM 960 O THR A 68 0.682 -1.289 -9.117 1.00 0.00 O ATOM 961 CB THR A 68 1.267 -4.121 -9.204 1.00 0.00 C ATOM 962 OG1 THR A 68 0.934 -5.496 -9.428 1.00 0.00 O ATOM 963 CG2 THR A 68 2.677 -4.020 -8.643 1.00 0.00 C ATOM 0 H THR A 68 -1.310 -3.373 -9.640 1.00 0.00 H new ATOM 0 HA THR A 68 0.338 -3.954 -7.264 1.00 0.00 H new ATOM 0 HB THR A 68 1.230 -3.580 -10.150 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.586 -5.895 -10.042 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.379 -4.478 -9.339 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.938 -2.971 -8.502 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.726 -4.538 -7.685 1.00 0.00 H new ATOM 971 N ILE A 69 0.661 -1.520 -6.879 1.00 0.00 N ATOM 972 CA ILE A 69 0.951 -0.115 -6.622 1.00 0.00 C ATOM 973 C ILE A 69 2.430 0.190 -6.836 1.00 0.00 C ATOM 974 O ILE A 69 3.290 -0.655 -6.587 1.00 0.00 O ATOM 975 CB ILE A 69 0.558 0.288 -5.188 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.718 -0.441 -4.762 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.370 1.795 -5.094 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.832 -0.356 -5.782 1.00 0.00 C ATOM 0 H ILE A 69 0.554 -2.089 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 69 0.357 0.464 -7.329 1.00 0.00 H new ATOM 0 HB ILE A 69 1.362 -0.001 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.484 -1.490 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.068 -0.023 -3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.093 2.064 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.301 2.295 -5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.418 2.107 -5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.705 -0.895 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.094 0.689 -5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.501 -0.801 -6.720 1.00 0.00 H new ATOM 990 N ARG A 70 2.717 1.402 -7.298 1.00 0.00 N ATOM 991 CA ARG A 70 4.092 1.819 -7.546 1.00 0.00 C ATOM 992 C ARG A 70 4.274 3.303 -7.239 1.00 0.00 C ATOM 993 O ARG A 70 3.601 4.154 -7.820 1.00 0.00 O ATOM 994 CB ARG A 70 4.480 1.536 -8.998 1.00 0.00 C ATOM 995 CG ARG A 70 5.975 1.355 -9.205 1.00 0.00 C ATOM 996 CD ARG A 70 6.270 0.551 -10.462 1.00 0.00 C ATOM 997 NE ARG A 70 5.746 -0.809 -10.378 1.00 0.00 N ATOM 998 CZ ARG A 70 6.085 -1.781 -11.218 1.00 0.00 C ATOM 999 NH1 ARG A 70 6.943 -1.543 -12.200 1.00 0.00 N ATOM 1000 NH2 ARG A 70 5.565 -2.993 -11.076 1.00 0.00 N ATOM 0 H ARG A 70 2.016 2.113 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 70 4.743 1.246 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.964 0.637 -9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.132 2.357 -9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.455 2.331 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.405 0.850 -8.340 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.834 1.055 -11.325 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.347 0.515 -10.625 1.00 0.00 H new ATOM 0 HE ARG A 70 5.083 -1.025 -9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.345 -0.612 -12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.202 -2.291 -12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.904 -3.179 -10.322 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.826 -3.739 -11.721 1.00 0.00 H new ATOM 1014 N PHE A 71 5.188 3.605 -6.323 1.00 0.00 N ATOM 1015 CA PHE A 71 5.458 4.985 -5.939 1.00 0.00 C ATOM 1016 C PHE A 71 6.832 5.110 -5.286 1.00 0.00 C ATOM 1017 O PHE A 71 7.268 4.217 -4.560 1.00 0.00 O ATOM 1018 CB PHE A 71 4.378 5.490 -4.980 1.00 0.00 C ATOM 1019 CG PHE A 71 4.119 4.562 -3.827 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.069 4.389 -2.833 1.00 0.00 C ATOM 1021 CD2 PHE A 71 2.925 3.864 -3.737 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.834 3.536 -1.771 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.684 3.010 -2.677 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.640 2.845 -1.693 1.00 0.00 C ATOM 0 H PHE A 71 5.754 2.912 -5.833 1.00 0.00 H new ATOM 0 HA PHE A 71 5.448 5.595 -6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.674 6.465 -4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.451 5.636 -5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.004 4.927 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.175 3.989 -4.504 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.583 3.410 -1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.749 2.472 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.454 2.177 -0.865 1.00 0.00 H new ATOM 1034 N ILE A 72 7.507 6.223 -5.552 1.00 0.00 N ATOM 1035 CA ILE A 72 8.831 6.464 -4.991 1.00 0.00 C ATOM 1036 C ILE A 72 8.817 7.663 -4.047 1.00 0.00 C ATOM 1037 O ILE A 72 8.420 8.769 -4.414 1.00 0.00 O ATOM 1038 CB ILE A 72 9.875 6.708 -6.096 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.122 5.421 -6.887 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.174 7.223 -5.494 1.00 0.00 C ATOM 1041 CD1 ILE A 72 10.840 5.646 -8.199 1.00 0.00 C ATOM 0 H ILE A 72 7.160 6.971 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 72 9.106 5.568 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 72 9.489 7.465 -6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.707 4.735 -6.275 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.166 4.936 -7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.902 7.391 -6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.986 8.160 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.566 6.488 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.981 4.691 -8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.246 6.307 -8.830 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.811 6.102 -8.009 1.00 0.00 H new ATOM 1053 N PRO A 73 9.263 7.440 -2.802 1.00 0.00 N ATOM 1054 CA PRO A 73 9.315 8.490 -1.780 1.00 0.00 C ATOM 1055 C PRO A 73 10.381 9.538 -2.080 1.00 0.00 C ATOM 1056 O PRO A 73 11.574 9.236 -2.102 1.00 0.00 O ATOM 1057 CB PRO A 73 9.662 7.724 -0.502 1.00 0.00 C ATOM 1058 CG PRO A 73 10.373 6.502 -0.973 1.00 0.00 C ATOM 1059 CD PRO A 73 9.751 6.146 -2.296 1.00 0.00 C ATOM 0 HA PRO A 73 8.380 9.046 -1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.293 8.320 0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.765 7.467 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.441 6.689 -1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.263 5.687 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.477 5.697 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.939 5.428 -2.178 1.00 0.00 H new ATOM 1067 N HIS A 74 9.943 10.772 -2.309 1.00 0.00 N ATOM 1068 CA HIS A 74 10.861 11.866 -2.606 1.00 0.00 C ATOM 1069 C HIS A 74 11.673 12.244 -1.371 1.00 0.00 C ATOM 1070 O HIS A 74 12.768 12.795 -1.482 1.00 0.00 O ATOM 1071 CB HIS A 74 10.089 13.084 -3.115 1.00 0.00 C ATOM 1072 CG HIS A 74 9.804 13.041 -4.585 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.587 11.867 -5.275 1.00 0.00 N ATOM 1074 CD2 HIS A 74 9.699 14.037 -5.495 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.363 12.143 -6.548 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.425 13.452 -6.708 1.00 0.00 N ATOM 0 H HIS A 74 8.959 11.039 -2.295 1.00 0.00 H new ATOM 0 HA HIS A 74 11.548 11.530 -3.383 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.147 13.159 -2.573 1.00 0.00 H new ATOM 0 HB3 HIS A 74 10.659 13.985 -2.890 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.810 15.094 -5.304 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.163 11.420 -7.325 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.291 13.949 -7.589 1.00 0.00 H new ATOM 1085 N GLU A 75 11.129 11.945 -0.196 1.00 0.00 N ATOM 1086 CA GLU A 75 11.804 12.255 1.059 1.00 0.00 C ATOM 1087 C GLU A 75 11.821 11.041 1.983 1.00 0.00 C ATOM 1088 O GLU A 75 11.262 9.994 1.659 1.00 0.00 O ATOM 1089 CB GLU A 75 11.116 13.431 1.757 1.00 0.00 C ATOM 1090 CG GLU A 75 10.505 14.436 0.795 1.00 0.00 C ATOM 1091 CD GLU A 75 10.465 15.840 1.367 1.00 0.00 C ATOM 1092 OE1 GLU A 75 9.994 16.000 2.513 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.905 16.778 0.670 1.00 0.00 O ATOM 0 H GLU A 75 10.223 11.489 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 75 12.834 12.529 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.335 13.047 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.841 13.942 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.079 14.441 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.493 14.122 0.542 1.00 0.00 H new ATOM 1100 N ASN A 76 12.467 11.189 3.135 1.00 0.00 N ATOM 1101 CA ASN A 76 12.559 10.105 4.105 1.00 0.00 C ATOM 1102 C ASN A 76 11.478 10.239 5.174 1.00 0.00 C ATOM 1103 O ASN A 76 10.944 11.324 5.399 1.00 0.00 O ATOM 1104 CB ASN A 76 13.941 10.094 4.760 1.00 0.00 C ATOM 1105 CG ASN A 76 15.044 10.465 3.788 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.901 10.036 2.539 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 16.013 11.129 4.155 1.00 0.00 N flip ATOM 0 H ASN A 76 12.935 12.050 3.419 1.00 0.00 H new ATOM 0 HA ASN A 76 12.408 9.164 3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.949 10.792 5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.139 9.103 5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.082 11.438 5.125 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.747 11.371 3.489 1.00 0.00 H new ATOM 1114 N GLY A 77 11.163 9.127 5.832 1.00 0.00 N ATOM 1115 CA GLY A 77 10.148 9.142 6.870 1.00 0.00 C ATOM 1116 C GLY A 77 8.994 8.208 6.565 1.00 0.00 C ATOM 1117 O GLY A 77 8.990 7.527 5.540 1.00 0.00 O ATOM 0 H GLY A 77 11.592 8.217 5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.600 8.858 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.769 10.157 6.988 1.00 0.00 H new ATOM 1121 N VAL A 78 8.011 8.174 7.460 1.00 0.00 N ATOM 1122 CA VAL A 78 6.845 7.316 7.282 1.00 0.00 C ATOM 1123 C VAL A 78 5.757 8.026 6.485 1.00 0.00 C ATOM 1124 O VAL A 78 5.147 8.984 6.962 1.00 0.00 O ATOM 1125 CB VAL A 78 6.265 6.870 8.637 1.00 0.00 C ATOM 1126 CG1 VAL A 78 5.093 5.923 8.431 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.344 6.218 9.489 1.00 0.00 C ATOM 0 H VAL A 78 7.999 8.730 8.315 1.00 0.00 H new ATOM 0 HA VAL A 78 7.180 6.437 6.731 1.00 0.00 H new ATOM 0 HB VAL A 78 5.900 7.752 9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.696 5.619 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.313 6.428 7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.429 5.042 7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.917 5.909 10.443 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.740 5.346 8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.149 6.932 9.666 1.00 0.00 H new ATOM 1137 N HIS A 79 5.517 7.549 5.268 1.00 0.00 N ATOM 1138 CA HIS A 79 4.500 8.137 4.403 1.00 0.00 C ATOM 1139 C HIS A 79 3.129 7.530 4.686 1.00 0.00 C ATOM 1140 O HIS A 79 3.023 6.477 5.314 1.00 0.00 O ATOM 1141 CB HIS A 79 4.868 7.932 2.934 1.00 0.00 C ATOM 1142 CG HIS A 79 6.045 8.746 2.492 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.155 8.956 3.283 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.283 9.403 1.332 1.00 0.00 C ATOM 1145 CE1 HIS A 79 8.023 9.707 2.630 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.518 9.992 1.443 1.00 0.00 N ATOM 0 H HIS A 79 6.013 6.757 4.858 1.00 0.00 H new ATOM 0 HA HIS A 79 4.455 9.206 4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.083 6.877 2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.008 8.185 2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.624 9.454 0.478 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.983 10.033 3.003 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.972 10.558 0.726 1.00 0.00 H new ATOM 1155 N SER A 80 2.081 8.202 4.218 1.00 0.00 N ATOM 1156 CA SER A 80 0.717 7.731 4.425 1.00 0.00 C ATOM 1157 C SER A 80 0.100 7.260 3.111 1.00 0.00 C ATOM 1158 O SER A 80 -0.130 8.057 2.201 1.00 0.00 O ATOM 1159 CB SER A 80 -0.141 8.840 5.036 1.00 0.00 C ATOM 1160 OG SER A 80 0.008 8.883 6.445 1.00 0.00 O ATOM 0 H SER A 80 2.151 9.074 3.693 1.00 0.00 H new ATOM 0 HA SER A 80 0.751 6.887 5.114 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.143 9.801 4.608 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.188 8.675 4.783 1.00 0.00 H new ATOM 0 HG SER A 80 -0.549 9.601 6.811 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.165 5.961 3.021 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.756 5.384 1.820 1.00 0.00 C ATOM 1168 C ILE A 81 -2.277 5.343 1.921 1.00 0.00 C ATOM 1169 O ILE A 81 -2.835 4.603 2.731 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.231 3.959 1.563 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.258 3.872 1.904 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.473 3.558 0.116 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.155 4.491 0.855 1.00 0.00 C ATOM 0 H ILE A 81 0.020 5.288 3.765 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.467 6.025 0.987 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.773 3.266 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.433 4.368 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.532 2.825 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.096 2.549 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.542 3.586 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.046 4.252 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.196 4.393 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.008 3.980 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.908 5.547 0.742 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.940 6.142 1.093 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.398 6.195 1.086 1.00 0.00 C ATOM 1187 C ASP A 82 -4.974 5.182 0.102 1.00 0.00 C ATOM 1188 O ASP A 82 -4.909 5.373 -1.112 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.876 7.603 0.727 1.00 0.00 C ATOM 1190 CG ASP A 82 -4.658 8.594 1.853 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -3.533 9.124 1.966 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -5.611 8.838 2.622 1.00 0.00 O ATOM 0 H ASP A 82 -2.492 6.762 0.418 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.751 5.944 2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.348 7.947 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.936 7.570 0.476 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.538 4.102 0.635 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.126 3.058 -0.196 1.00 0.00 C ATOM 1199 C VAL A 83 -7.646 3.058 -0.084 1.00 0.00 C ATOM 1200 O VAL A 83 -8.204 2.704 0.955 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.593 1.666 0.192 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.219 0.592 -0.685 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.076 1.630 0.093 1.00 0.00 C ATOM 0 H VAL A 83 -5.600 3.928 1.638 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.841 3.274 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.871 1.464 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.831 -0.385 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.302 0.604 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.974 0.786 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.717 0.639 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.773 1.852 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.650 2.373 0.767 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.313 3.457 -1.162 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.770 3.502 -1.188 1.00 0.00 C ATOM 1215 C LYS A 84 -10.329 2.469 -2.161 1.00 0.00 C ATOM 1216 O LYS A 84 -9.686 2.124 -3.153 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.251 4.901 -1.580 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.347 5.862 -0.408 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.331 6.985 -0.686 1.00 0.00 C ATOM 1220 CE LYS A 84 -12.769 6.527 -0.492 1.00 0.00 C ATOM 1221 NZ LYS A 84 -13.136 6.449 0.948 1.00 0.00 N ATOM 0 H LYS A 84 -7.867 3.754 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.134 3.267 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.570 5.315 -2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.229 4.820 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.657 5.319 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.363 6.283 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.123 7.825 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.197 7.344 -1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.442 7.217 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.904 5.549 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.616 5.546 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.276 6.511 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.773 7.236 1.187 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.531 1.981 -1.873 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.177 0.988 -2.723 1.00 0.00 C ATOM 1237 C PHE A 85 -13.624 1.377 -3.011 1.00 0.00 C ATOM 1238 O PHE A 85 -14.489 1.276 -2.142 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.129 -0.391 -2.061 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.441 -1.519 -3.002 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.720 -1.680 -4.175 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.455 -2.418 -2.714 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -12.004 -2.717 -5.043 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.743 -3.458 -3.578 1.00 0.00 C ATOM 1245 CZ PHE A 85 -13.018 -3.607 -4.744 1.00 0.00 C ATOM 0 H PHE A 85 -12.077 2.257 -1.057 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.635 0.948 -3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.137 -0.547 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.838 -0.413 -1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.927 -0.987 -4.413 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.027 -2.305 -1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.435 -2.832 -5.953 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.535 -4.154 -3.341 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.243 -4.418 -5.421 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.878 1.822 -4.237 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.220 2.228 -4.640 1.00 0.00 C ATOM 1257 C ASN A 86 -15.829 3.184 -3.618 1.00 0.00 C ATOM 1258 O ASN A 86 -16.995 3.053 -3.248 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.118 1.001 -4.805 1.00 0.00 C ATOM 1260 CG ASN A 86 -17.200 1.212 -5.847 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -18.245 1.798 -5.562 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.954 0.734 -7.061 1.00 0.00 N ATOM 0 H ASN A 86 -13.173 1.911 -4.969 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.144 2.746 -5.596 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.508 0.143 -5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.581 0.762 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.645 0.846 -7.803 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.074 0.255 -7.252 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.031 4.146 -3.167 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.508 5.110 -2.193 1.00 0.00 C ATOM 1271 C GLY A 87 -15.631 4.518 -0.803 1.00 0.00 C ATOM 1272 O GLY A 87 -16.629 4.733 -0.116 1.00 0.00 O ATOM 0 H GLY A 87 -14.062 4.275 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.826 5.960 -2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.479 5.491 -2.509 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.615 3.770 -0.389 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.613 3.145 0.928 1.00 0.00 C ATOM 1278 C ALA A 88 -13.190 2.924 1.429 1.00 0.00 C ATOM 1279 O ALA A 88 -12.349 2.374 0.718 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.371 1.826 0.888 1.00 0.00 C ATOM 0 H ALA A 88 -13.782 3.582 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.114 3.819 1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.361 1.371 1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.401 2.008 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.894 1.154 0.175 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.926 3.356 2.659 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.604 3.205 3.255 1.00 0.00 C ATOM 1288 C HIS A 89 -11.391 1.778 3.750 1.00 0.00 C ATOM 1289 O HIS A 89 -12.234 1.223 4.455 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.427 4.190 4.411 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.853 5.509 3.992 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -11.459 6.650 3.589 1.00 0.00 N flip ATOM 1293 CD2 HIS A 89 -9.498 5.762 3.954 1.00 0.00 C flip ATOM 1294 CE1 HIS A 89 -10.469 7.563 3.320 1.00 0.00 C flip ATOM 1295 NE2 HIS A 89 -9.295 7.003 3.548 1.00 0.00 N flip ATOM 0 H HIS A 89 -13.610 3.813 3.261 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.860 3.419 2.488 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.394 4.358 4.885 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.777 3.742 5.163 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -8.724 5.056 4.215 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -10.625 8.575 2.977 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -8.387 7.452 3.431 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.260 1.190 3.376 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.937 -0.172 3.782 1.00 0.00 C ATOM 1306 C ILE A 90 -9.461 -0.215 5.230 1.00 0.00 C ATOM 1307 O ILE A 90 -8.893 0.744 5.752 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.852 -0.787 2.879 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.508 -0.094 3.114 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.259 -0.683 1.417 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.315 -0.961 2.778 1.00 0.00 C ATOM 0 H ILE A 90 -9.552 1.635 2.792 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.852 -0.756 3.685 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.744 -1.842 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.467 0.815 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.443 0.211 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.482 -1.122 0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.196 -1.218 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.391 0.365 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.397 -0.406 2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.332 -1.858 3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.356 -1.245 1.726 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.695 -1.356 5.897 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.295 -1.553 7.293 1.00 0.00 C ATOM 1325 C PRO A 91 -7.783 -1.654 7.455 1.00 0.00 C ATOM 1326 O PRO A 91 -7.182 -2.681 7.140 1.00 0.00 O ATOM 1327 CB PRO A 91 -9.963 -2.878 7.669 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.126 -3.601 6.377 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.366 -2.541 5.337 1.00 0.00 C ATOM 0 HA PRO A 91 -9.592 -0.715 7.924 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.348 -3.447 8.366 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.925 -2.713 8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.236 -4.185 6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.962 -4.299 6.423 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -9.945 -2.822 4.372 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.430 -2.364 5.181 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.171 -0.582 7.949 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.733 -0.571 8.144 1.00 0.00 C ATOM 1339 C GLY A 92 -5.071 0.636 7.510 1.00 0.00 C ATOM 1340 O GLY A 92 -3.922 0.954 7.816 1.00 0.00 O ATOM 0 H GLY A 92 -7.646 0.280 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.514 -0.582 9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.305 -1.480 7.721 1.00 0.00 H new ATOM 1344 N SER A 93 -5.797 1.309 6.623 1.00 0.00 N ATOM 1345 CA SER A 93 -5.270 2.485 5.940 1.00 0.00 C ATOM 1346 C SER A 93 -5.587 3.756 6.723 1.00 0.00 C ATOM 1347 O SER A 93 -6.562 3.828 7.471 1.00 0.00 O ATOM 1348 CB SER A 93 -5.852 2.584 4.529 1.00 0.00 C ATOM 1349 OG SER A 93 -5.978 3.936 4.122 1.00 0.00 O ATOM 0 H SER A 93 -6.751 1.060 6.361 1.00 0.00 H new ATOM 0 HA SER A 93 -4.187 2.381 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.210 2.049 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.828 2.100 4.500 1.00 0.00 H new ATOM 0 HG SER A 93 -6.622 3.997 3.386 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.742 4.783 6.549 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.577 4.708 5.662 1.00 0.00 C ATOM 1357 C PRO A 94 -2.494 3.782 6.205 1.00 0.00 C ATOM 1358 O PRO A 94 -2.297 3.685 7.416 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.073 6.153 5.617 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.546 6.759 6.893 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.859 6.096 7.204 1.00 0.00 C ATOM 0 HA PRO A 94 -3.834 4.301 4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.986 6.191 5.540 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.473 6.685 4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.826 6.594 7.694 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.668 7.837 6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.014 5.997 8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.700 6.667 6.812 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.794 3.105 5.301 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.730 2.186 5.690 1.00 0.00 C ATOM 1371 C PHE A 95 0.578 2.936 5.921 1.00 0.00 C ATOM 1372 O PHE A 95 1.210 3.412 4.977 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.535 1.115 4.615 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.610 0.066 4.611 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.904 -0.647 5.762 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.326 -0.207 3.457 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.893 -1.613 5.762 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.316 -1.171 3.451 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.599 -1.876 4.605 1.00 0.00 C ATOM 0 H PHE A 95 -1.944 3.175 4.295 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.022 1.705 6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.503 1.595 3.637 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.431 0.633 4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.354 -0.446 6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.108 0.340 2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.113 -2.161 6.666 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.868 -1.373 2.545 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.371 -2.631 4.602 1.00 0.00 H new ATOM 1389 N LYS A 96 0.980 3.037 7.183 1.00 0.00 N ATOM 1390 CA LYS A 96 2.214 3.727 7.541 1.00 0.00 C ATOM 1391 C LYS A 96 3.433 2.877 7.196 1.00 0.00 C ATOM 1392 O LYS A 96 3.755 1.922 7.903 1.00 0.00 O ATOM 1393 CB LYS A 96 2.219 4.064 9.034 1.00 0.00 C ATOM 1394 CG LYS A 96 0.920 4.680 9.523 1.00 0.00 C ATOM 1395 CD LYS A 96 0.878 6.176 9.261 1.00 0.00 C ATOM 1396 CE LYS A 96 1.450 6.963 10.431 1.00 0.00 C ATOM 1397 NZ LYS A 96 2.919 7.166 10.298 1.00 0.00 N ATOM 0 H LYS A 96 0.469 2.649 7.976 1.00 0.00 H new ATOM 0 HA LYS A 96 2.264 4.652 6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.417 3.155 9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.038 4.753 9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.078 4.199 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.807 4.494 10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.443 6.404 8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.151 6.486 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.954 7.931 10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.239 6.435 11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.207 7.994 10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.419 6.323 10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.159 7.324 9.298 1.00 0.00 H new ATOM 1411 N ILE A 97 4.107 3.232 6.108 1.00 0.00 N ATOM 1412 CA ILE A 97 5.292 2.503 5.672 1.00 0.00 C ATOM 1413 C ILE A 97 6.560 3.306 5.938 1.00 0.00 C ATOM 1414 O ILE A 97 6.613 4.508 5.676 1.00 0.00 O ATOM 1415 CB ILE A 97 5.221 2.158 4.172 1.00 0.00 C ATOM 1416 CG1 ILE A 97 5.094 3.435 3.339 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.053 1.222 3.899 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.228 3.201 1.851 1.00 0.00 C ATOM 0 H ILE A 97 3.853 4.020 5.512 1.00 0.00 H new ATOM 0 HA ILE A 97 5.323 1.578 6.248 1.00 0.00 H new ATOM 0 HB ILE A 97 6.142 1.650 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.127 3.896 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.858 4.144 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.016 0.987 2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.183 0.302 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.122 1.705 4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.128 4.149 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.205 2.768 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.448 2.516 1.519 1.00 0.00 H new ATOM 1430 N ARG A 98 7.581 2.633 6.459 1.00 0.00 N ATOM 1431 CA ARG A 98 8.851 3.284 6.761 1.00 0.00 C ATOM 1432 C ARG A 98 9.740 3.341 5.522 1.00 0.00 C ATOM 1433 O ARG A 98 9.845 2.368 4.775 1.00 0.00 O ATOM 1434 CB ARG A 98 9.573 2.543 7.887 1.00 0.00 C ATOM 1435 CG ARG A 98 10.814 3.262 8.391 1.00 0.00 C ATOM 1436 CD ARG A 98 12.047 2.874 7.589 1.00 0.00 C ATOM 1437 NE ARG A 98 13.243 3.570 8.055 1.00 0.00 N ATOM 1438 CZ ARG A 98 13.834 3.319 9.218 1.00 0.00 C ATOM 1439 NH1 ARG A 98 13.341 2.393 10.029 1.00 0.00 N ATOM 1440 NH2 ARG A 98 14.920 3.994 9.572 1.00 0.00 N ATOM 0 H ARG A 98 7.554 1.638 6.681 1.00 0.00 H new ATOM 0 HA ARG A 98 8.641 4.304 7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.883 2.401 8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.856 1.551 7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.662 4.340 8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.973 3.023 9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.203 1.798 7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.882 3.102 6.536 1.00 0.00 H new ATOM 0 HE ARG A 98 13.647 4.289 7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.506 1.872 9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.796 2.202 10.921 1.00 0.00 H new ATOM 0 HH21 ARG A 98 15.302 4.707 8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.372 3.800 10.465 1.00 0.00 H new ATOM 1454 N VAL A 99 10.379 4.487 5.310 1.00 0.00 N ATOM 1455 CA VAL A 99 11.260 4.671 4.163 1.00 0.00 C ATOM 1456 C VAL A 99 12.626 5.191 4.597 1.00 0.00 C ATOM 1457 O VAL A 99 12.783 6.372 4.903 1.00 0.00 O ATOM 1458 CB VAL A 99 10.652 5.648 3.140 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.638 5.926 2.015 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.344 5.098 2.590 1.00 0.00 C ATOM 0 H VAL A 99 10.303 5.302 5.918 1.00 0.00 H new ATOM 0 HA VAL A 99 11.379 3.694 3.695 1.00 0.00 H new ATOM 0 HB VAL A 99 10.440 6.590 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.191 6.618 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.546 6.366 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.885 4.993 1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.928 5.801 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.529 4.142 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.637 4.956 3.407 1.00 0.00 H new ATOM 1470 N GLY A 100 13.612 4.300 4.620 1.00 0.00 N ATOM 1471 CA GLY A 100 14.953 4.687 5.017 1.00 0.00 C ATOM 1472 C GLY A 100 15.681 3.583 5.757 1.00 0.00 C ATOM 1473 O GLY A 100 15.067 2.814 6.496 1.00 0.00 O ATOM 0 H GLY A 100 13.506 3.317 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.525 4.965 4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.899 5.571 5.652 1.00 0.00 H new ATOM 1477 N GLU A 101 16.992 3.503 5.557 1.00 0.00 N ATOM 1478 CA GLU A 101 17.803 2.482 6.210 1.00 0.00 C ATOM 1479 C GLU A 101 18.404 3.012 7.509 1.00 0.00 C ATOM 1480 O GLU A 101 19.126 4.009 7.508 1.00 0.00 O ATOM 1481 CB GLU A 101 18.919 2.010 5.275 1.00 0.00 C ATOM 1482 CG GLU A 101 19.730 0.851 5.831 1.00 0.00 C ATOM 1483 CD GLU A 101 19.011 -0.478 5.706 1.00 0.00 C ATOM 1484 OE1 GLU A 101 18.844 -0.956 4.564 1.00 0.00 O ATOM 1485 OE2 GLU A 101 18.614 -1.039 6.748 1.00 0.00 O ATOM 0 H GLU A 101 17.515 4.132 4.948 1.00 0.00 H new ATOM 0 HA GLU A 101 17.156 1.638 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.481 1.712 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 101 19.588 2.846 5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 101 20.683 0.795 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.955 1.041 6.881 1.00 0.00 H new ATOM 1492 N GLN A 102 18.099 2.338 8.613 1.00 0.00 N ATOM 1493 CA GLN A 102 18.607 2.742 9.919 1.00 0.00 C ATOM 1494 C GLN A 102 20.091 2.416 10.050 1.00 0.00 C ATOM 1495 O GLN A 102 20.572 1.430 9.491 1.00 0.00 O ATOM 1496 CB GLN A 102 17.820 2.049 11.032 1.00 0.00 C ATOM 1497 CG GLN A 102 18.111 0.562 11.148 1.00 0.00 C ATOM 1498 CD GLN A 102 17.047 -0.182 11.931 1.00 0.00 C ATOM 1499 OE1 GLN A 102 16.374 0.394 12.786 1.00 0.00 O ATOM 1500 NE2 GLN A 102 16.891 -1.468 11.643 1.00 0.00 N ATOM 0 H GLN A 102 17.503 1.510 8.629 1.00 0.00 H new ATOM 0 HA GLN A 102 18.481 3.821 10.012 1.00 0.00 H new ATOM 0 HB2 GLN A 102 18.050 2.531 11.982 1.00 0.00 H new ATOM 0 HB3 GLN A 102 16.754 2.189 10.853 1.00 0.00 H new ATOM 0 HG2 GLN A 102 18.189 0.132 10.149 1.00 0.00 H new ATOM 0 HG3 GLN A 102 19.078 0.422 11.632 1.00 0.00 H new ATOM 0 HE21 GLN A 102 17.471 -1.904 10.926 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.191 -2.020 12.138 1.00 0.00 H new ATOM 1509 N SER A 103 20.812 3.251 10.791 1.00 0.00 N ATOM 1510 CA SER A 103 22.243 3.054 10.992 1.00 0.00 C ATOM 1511 C SER A 103 22.640 3.381 12.428 1.00 0.00 C ATOM 1512 O SER A 103 21.901 4.051 13.150 1.00 0.00 O ATOM 1513 CB SER A 103 23.041 3.925 10.019 1.00 0.00 C ATOM 1514 OG SER A 103 22.693 3.638 8.676 1.00 0.00 O ATOM 0 H SER A 103 20.429 4.070 11.262 1.00 0.00 H new ATOM 0 HA SER A 103 22.471 2.005 10.800 1.00 0.00 H new ATOM 0 HB2 SER A 103 22.853 4.978 10.230 1.00 0.00 H new ATOM 0 HB3 SER A 103 24.108 3.756 10.166 1.00 0.00 H new ATOM 0 HG SER A 103 23.215 4.208 8.074 1.00 0.00 H new ATOM 1520 N GLN A 104 23.811 2.904 12.835 1.00 0.00 N ATOM 1521 CA GLN A 104 24.307 3.145 14.185 1.00 0.00 C ATOM 1522 C GLN A 104 25.731 2.623 14.344 1.00 0.00 C ATOM 1523 O GLN A 104 26.246 1.921 13.474 1.00 0.00 O ATOM 1524 CB GLN A 104 23.390 2.479 15.214 1.00 0.00 C ATOM 1525 CG GLN A 104 23.282 0.972 15.047 1.00 0.00 C ATOM 1526 CD GLN A 104 22.964 0.262 16.348 1.00 0.00 C ATOM 1527 OE1 GLN A 104 23.846 0.037 17.178 1.00 0.00 O ATOM 1528 NE2 GLN A 104 21.699 -0.094 16.535 1.00 0.00 N ATOM 0 H GLN A 104 24.434 2.348 12.250 1.00 0.00 H new ATOM 0 HA GLN A 104 24.313 4.222 14.355 1.00 0.00 H new ATOM 0 HB2 GLN A 104 23.760 2.700 16.215 1.00 0.00 H new ATOM 0 HB3 GLN A 104 22.395 2.917 15.139 1.00 0.00 H new ATOM 0 HG2 GLN A 104 22.506 0.746 14.315 1.00 0.00 H new ATOM 0 HG3 GLN A 104 24.220 0.586 14.647 1.00 0.00 H new ATOM 0 HE21 GLN A 104 21.000 0.112 15.821 1.00 0.00 H new ATOM 0 HE22 GLN A 104 21.426 -0.574 17.393 1.00 0.00 H new ATOM 1537 N ALA A 105 26.363 2.972 15.459 1.00 0.00 N ATOM 1538 CA ALA A 105 27.728 2.538 15.732 1.00 0.00 C ATOM 1539 C ALA A 105 27.766 1.535 16.880 1.00 0.00 C ATOM 1540 O ALA A 105 26.734 1.207 17.465 1.00 0.00 O ATOM 1541 CB ALA A 105 28.610 3.737 16.047 1.00 0.00 C ATOM 0 H ALA A 105 25.952 3.554 16.189 1.00 0.00 H new ATOM 0 HA ALA A 105 28.111 2.044 14.839 1.00 0.00 H new ATOM 0 HB1 ALA A 105 29.626 3.398 16.249 1.00 0.00 H new ATOM 0 HB2 ALA A 105 28.617 4.417 15.196 1.00 0.00 H new ATOM 0 HB3 ALA A 105 28.220 4.256 16.923 1.00 0.00 H new ATOM 1547 N GLY A 106 28.962 1.050 17.197 1.00 0.00 N ATOM 1548 CA GLY A 106 29.112 0.089 18.274 1.00 0.00 C ATOM 1549 C GLY A 106 30.524 -0.453 18.375 1.00 0.00 C ATOM 1550 O GLY A 106 31.209 -0.612 17.365 1.00 0.00 O ATOM 0 H GLY A 106 29.830 1.305 16.727 1.00 0.00 H new ATOM 0 HA2 GLY A 106 28.839 0.560 19.218 1.00 0.00 H new ATOM 0 HA3 GLY A 106 28.419 -0.738 18.118 1.00 0.00 H new ATOM 1554 N SER A 107 30.961 -0.736 19.598 1.00 0.00 N ATOM 1555 CA SER A 107 32.303 -1.257 19.829 1.00 0.00 C ATOM 1556 C SER A 107 32.278 -2.386 20.856 1.00 0.00 C ATOM 1557 O SER A 107 31.273 -2.606 21.529 1.00 0.00 O ATOM 1558 CB SER A 107 33.233 -0.139 20.306 1.00 0.00 C ATOM 1559 OG SER A 107 33.287 0.916 19.361 1.00 0.00 O ATOM 0 H SER A 107 30.405 -0.613 20.444 1.00 0.00 H new ATOM 0 HA SER A 107 32.679 -1.654 18.886 1.00 0.00 H new ATOM 0 HB2 SER A 107 32.884 0.245 21.265 1.00 0.00 H new ATOM 0 HB3 SER A 107 34.234 -0.538 20.468 1.00 0.00 H new ATOM 0 HG SER A 107 33.886 1.619 19.689 1.00 0.00 H new ATOM 1565 N GLY A 108 33.395 -3.099 20.969 1.00 0.00 N ATOM 1566 CA GLY A 108 33.481 -4.197 21.914 1.00 0.00 C ATOM 1567 C GLY A 108 34.549 -5.204 21.537 1.00 0.00 C ATOM 1568 O GLY A 108 35.466 -4.911 20.771 1.00 0.00 O ATOM 0 H GLY A 108 34.241 -2.936 20.423 1.00 0.00 H new ATOM 0 HA2 GLY A 108 33.693 -3.802 22.907 1.00 0.00 H new ATOM 0 HA3 GLY A 108 32.516 -4.700 21.971 1.00 0.00 H new ATOM 1572 N PRO A 109 34.436 -6.424 22.084 1.00 0.00 N ATOM 1573 CA PRO A 109 35.392 -7.503 21.816 1.00 0.00 C ATOM 1574 C PRO A 109 35.289 -8.027 20.387 1.00 0.00 C ATOM 1575 O PRO A 109 34.191 -8.199 19.857 1.00 0.00 O ATOM 1576 CB PRO A 109 34.989 -8.590 22.815 1.00 0.00 C ATOM 1577 CG PRO A 109 33.548 -8.334 23.092 1.00 0.00 C ATOM 1578 CD PRO A 109 33.368 -6.844 23.006 1.00 0.00 C ATOM 0 HA PRO A 109 36.424 -7.169 21.922 1.00 0.00 H new ATOM 0 HB2 PRO A 109 35.141 -9.586 22.399 1.00 0.00 H new ATOM 0 HB3 PRO A 109 35.584 -8.531 23.726 1.00 0.00 H new ATOM 0 HG2 PRO A 109 32.914 -8.846 22.368 1.00 0.00 H new ATOM 0 HG3 PRO A 109 33.268 -8.705 24.078 1.00 0.00 H new ATOM 0 HD2 PRO A 109 32.381 -6.580 22.625 1.00 0.00 H new ATOM 0 HD3 PRO A 109 33.470 -6.370 23.982 1.00 0.00 H new ATOM 1586 N SER A 110 36.438 -8.279 19.770 1.00 0.00 N ATOM 1587 CA SER A 110 36.477 -8.780 18.401 1.00 0.00 C ATOM 1588 C SER A 110 37.177 -10.134 18.338 1.00 0.00 C ATOM 1589 O SER A 110 38.405 -10.211 18.333 1.00 0.00 O ATOM 1590 CB SER A 110 37.192 -7.781 17.489 1.00 0.00 C ATOM 1591 OG SER A 110 36.430 -6.597 17.333 1.00 0.00 O ATOM 0 H SER A 110 37.355 -8.145 20.196 1.00 0.00 H new ATOM 0 HA SER A 110 35.450 -8.904 18.057 1.00 0.00 H new ATOM 0 HB2 SER A 110 38.168 -7.536 17.907 1.00 0.00 H new ATOM 0 HB3 SER A 110 37.368 -8.235 16.514 1.00 0.00 H new ATOM 0 HG SER A 110 36.909 -5.974 16.747 1.00 0.00 H new ATOM 1597 N SER A 111 36.385 -11.201 18.290 1.00 0.00 N ATOM 1598 CA SER A 111 36.926 -12.553 18.231 1.00 0.00 C ATOM 1599 C SER A 111 37.944 -12.682 17.102 1.00 0.00 C ATOM 1600 O SER A 111 39.088 -13.076 17.324 1.00 0.00 O ATOM 1601 CB SER A 111 35.799 -13.569 18.036 1.00 0.00 C ATOM 1602 OG SER A 111 34.945 -13.607 19.166 1.00 0.00 O ATOM 0 H SER A 111 35.366 -11.154 18.291 1.00 0.00 H new ATOM 0 HA SER A 111 37.429 -12.758 19.176 1.00 0.00 H new ATOM 0 HB2 SER A 111 35.222 -13.310 17.148 1.00 0.00 H new ATOM 0 HB3 SER A 111 36.223 -14.558 17.863 1.00 0.00 H new ATOM 0 HG SER A 111 34.232 -14.263 19.016 1.00 0.00 H new ATOM 1608 N GLY A 112 37.517 -12.347 15.888 1.00 0.00 N ATOM 1609 CA GLY A 112 38.402 -12.432 14.741 1.00 0.00 C ATOM 1610 C GLY A 112 37.659 -12.744 13.457 1.00 0.00 C ATOM 1611 O GLY A 112 37.528 -11.887 12.584 1.00 0.00 O ATOM 0 H GLY A 112 36.574 -12.018 15.679 1.00 0.00 H new ATOM 0 HA2 GLY A 112 38.937 -11.489 14.628 1.00 0.00 H new ATOM 0 HA3 GLY A 112 39.151 -13.203 14.920 1.00 0.00 H new TER 1615 GLY A 112