USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 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 37 GLN : amide:sc= -0.0107 X(o=-0.038,f=-0.059) USER MOD Set 1.2: A 60 MET CE :methyl -169:sc= -0.0275 (180deg=-0.25) USER MOD Set 2.1: A 25 GLN : amide:sc= 0.198 K(o=0.39,f=1.1) USER MOD Set 2.2: A 44 SER OG : rot 180:sc= 0.195 USER MOD Single : A 20 THR OG1 : rot 25:sc= 0.269 USER MOD Single : A 22 THR OG1 : rot 43:sc= 0.0342 USER MOD Single : A 23 SER OG : rot 64:sc= 0.242 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -2.95 X(o=-2.9,f=-3.4!) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 0.379 (180deg=0.335) USER MOD Single : A 35 LYS NZ :NH3+ -140:sc= -1.4 (180deg=-3.82!) USER MOD Single : A 36 HIS : no HD1:sc= -0.0491 X(o=-0.049,f=0) USER MOD Single : A 38 THR OG1 : rot -16:sc= 0.0459 USER MOD Single : A 42 SER OG : rot 37:sc= 0.27 USER MOD Single : A 47 SER OG : rot 180:sc= -0.615 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -151:sc= -0.326 (180deg=-1.98) USER MOD Single : A 54 SER OG : rot 69:sc= 1.05 USER MOD Single : A 55 HIS : no HD1:sc= -0.0355 X(o=-0.035,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -120:sc= 0.81 (180deg=0.262) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 0.967 (180deg=0.682) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 172:sc= -2.39! (180deg=-2.62!) USER MOD Single : A 89 SER OG : rot 39:sc= 0.289 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 20 -17.365 -1.453 10.777 1.00 0.00 N ATOM 2 CA THR A 20 -16.733 -1.696 12.092 1.00 0.00 C ATOM 3 C THR A 20 -15.208 -1.755 11.902 1.00 0.00 C ATOM 4 O THR A 20 -14.667 -2.817 11.557 1.00 0.00 O ATOM 5 CB THR A 20 -17.265 -3.031 12.723 1.00 0.00 C ATOM 6 OG1 THR A 20 -18.695 -3.096 12.589 1.00 0.00 O ATOM 7 CG2 THR A 20 -16.892 -3.160 14.213 1.00 0.00 C ATOM 0 HA THR A 20 -16.985 -0.885 12.775 1.00 0.00 H new ATOM 0 HB THR A 20 -16.793 -3.854 12.186 1.00 0.00 H new ATOM 0 HG1 THR A 20 -18.977 -2.548 11.827 1.00 0.00 H new ATOM 0 HG21 THR A 20 -17.282 -4.099 14.606 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.807 -3.144 14.319 1.00 0.00 H new ATOM 0 HG23 THR A 20 -17.323 -2.328 14.769 1.00 0.00 H new ATOM 15 N GLU A 21 -14.517 -0.610 12.077 1.00 0.00 N ATOM 16 CA GLU A 21 -13.109 -0.484 11.647 1.00 0.00 C ATOM 17 C GLU A 21 -12.193 0.314 12.595 1.00 0.00 C ATOM 18 O GLU A 21 -10.983 0.040 12.596 1.00 0.00 O ATOM 19 CB GLU A 21 -13.064 0.149 10.212 1.00 0.00 C ATOM 20 CG GLU A 21 -11.690 0.707 9.737 1.00 0.00 C ATOM 21 CD GLU A 21 -10.544 -0.320 9.625 1.00 0.00 C ATOM 22 OE1 GLU A 21 -10.790 -1.542 9.698 1.00 0.00 O ATOM 23 OE2 GLU A 21 -9.380 0.095 9.470 1.00 0.00 O ATOM 0 H GLU A 21 -14.904 0.230 12.507 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.709 -1.498 11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.390 -0.606 9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.792 0.960 10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.828 1.175 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.381 1.492 10.427 1.00 0.00 H new ATOM 30 N THR A 22 -12.704 1.135 13.528 1.00 0.00 N ATOM 31 CA THR A 22 -12.125 2.490 13.721 1.00 0.00 C ATOM 32 C THR A 22 -10.634 2.412 14.148 1.00 0.00 C ATOM 33 O THR A 22 -10.249 1.855 15.181 1.00 0.00 O ATOM 34 CB THR A 22 -12.941 3.308 14.767 1.00 0.00 C ATOM 35 OG1 THR A 22 -13.090 2.546 15.983 1.00 0.00 O ATOM 36 CG2 THR A 22 -14.332 3.720 14.235 1.00 0.00 C ATOM 0 H THR A 22 -13.485 0.905 14.142 1.00 0.00 H new ATOM 0 HA THR A 22 -12.180 3.004 12.761 1.00 0.00 H new ATOM 0 HB THR A 22 -12.383 4.223 14.968 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.241 2.109 16.201 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.861 4.287 15.001 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.213 4.336 13.344 1.00 0.00 H new ATOM 0 HG23 THR A 22 -14.905 2.827 13.984 1.00 0.00 H new ATOM 44 N SER A 23 -9.849 3.031 13.257 1.00 0.00 N ATOM 45 CA SER A 23 -8.590 2.501 12.726 1.00 0.00 C ATOM 46 C SER A 23 -7.313 3.063 13.363 1.00 0.00 C ATOM 47 O SER A 23 -7.170 4.276 13.524 1.00 0.00 O ATOM 48 CB SER A 23 -8.589 2.808 11.210 1.00 0.00 C ATOM 49 OG SER A 23 -7.437 2.316 10.559 1.00 0.00 O ATOM 0 H SER A 23 -10.083 3.947 12.874 1.00 0.00 H new ATOM 0 HA SER A 23 -8.560 1.437 12.959 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.476 2.369 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.654 3.886 11.061 1.00 0.00 H new ATOM 0 HG SER A 23 -7.422 1.338 10.615 1.00 0.00 H new ATOM 55 N GLN A 24 -6.417 2.138 13.751 1.00 0.00 N ATOM 56 CA GLN A 24 -4.970 2.396 13.889 1.00 0.00 C ATOM 57 C GLN A 24 -4.334 2.326 12.478 1.00 0.00 C ATOM 58 O GLN A 24 -3.672 3.273 12.026 1.00 0.00 O ATOM 59 CB GLN A 24 -4.323 1.343 14.842 1.00 0.00 C ATOM 60 CG GLN A 24 -2.791 1.458 15.041 1.00 0.00 C ATOM 61 CD GLN A 24 -2.352 2.762 15.716 1.00 0.00 C ATOM 62 OE1 GLN A 24 -2.057 3.755 15.049 1.00 0.00 O ATOM 63 NE2 GLN A 24 -2.305 2.769 17.045 1.00 0.00 N ATOM 0 H GLN A 24 -6.679 1.179 13.980 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.799 3.381 14.322 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.803 1.422 15.817 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.546 0.348 14.456 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.448 0.615 15.641 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.301 1.379 14.071 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.556 1.930 17.569 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.018 3.613 17.541 1.00 0.00 H new ATOM 72 N GLN A 25 -4.562 1.180 11.789 1.00 0.00 N ATOM 73 CA GLN A 25 -4.120 0.944 10.395 1.00 0.00 C ATOM 74 C GLN A 25 -5.302 0.406 9.549 1.00 0.00 C ATOM 75 O GLN A 25 -6.211 -0.248 10.077 1.00 0.00 O ATOM 76 CB GLN A 25 -2.933 -0.075 10.322 1.00 0.00 C ATOM 77 CG GLN A 25 -1.724 0.225 11.225 1.00 0.00 C ATOM 78 CD GLN A 25 -0.584 -0.774 11.015 1.00 0.00 C ATOM 79 OE1 GLN A 25 -0.497 -1.798 11.696 1.00 0.00 O ATOM 80 NE2 GLN A 25 0.278 -0.504 10.040 1.00 0.00 N ATOM 0 H GLN A 25 -5.063 0.387 12.191 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.775 1.899 9.998 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.314 -1.064 10.577 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.586 -0.124 9.290 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.363 1.233 11.023 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.038 0.202 12.269 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.179 0.352 9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.038 -1.153 9.837 1.00 0.00 H new ATOM 89 N LEU A 26 -5.245 0.679 8.240 1.00 0.00 N ATOM 90 CA LEU A 26 -6.188 0.181 7.220 1.00 0.00 C ATOM 91 C LEU A 26 -5.555 -1.056 6.561 1.00 0.00 C ATOM 92 O LEU A 26 -4.430 -0.977 6.044 1.00 0.00 O ATOM 93 CB LEU A 26 -6.451 1.296 6.164 1.00 0.00 C ATOM 94 CG LEU A 26 -7.198 2.567 6.696 1.00 0.00 C ATOM 95 CD1 LEU A 26 -7.126 3.738 5.690 1.00 0.00 C ATOM 96 CD2 LEU A 26 -8.669 2.239 7.054 1.00 0.00 C ATOM 0 H LEU A 26 -4.517 1.273 7.843 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.144 -0.089 7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.494 1.607 5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.033 0.869 5.348 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.687 2.884 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.656 4.600 6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.083 4.003 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.588 3.438 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.164 3.139 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.187 1.876 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.693 1.471 7.827 1.00 0.00 H new ATOM 108 N GLN A 27 -6.264 -2.197 6.593 1.00 0.00 N ATOM 109 CA GLN A 27 -5.764 -3.457 6.028 1.00 0.00 C ATOM 110 C GLN A 27 -6.103 -3.491 4.537 1.00 0.00 C ATOM 111 O GLN A 27 -7.254 -3.718 4.156 1.00 0.00 O ATOM 112 CB GLN A 27 -6.377 -4.669 6.777 1.00 0.00 C ATOM 113 CG GLN A 27 -5.922 -4.804 8.241 1.00 0.00 C ATOM 114 CD GLN A 27 -6.582 -5.975 8.972 1.00 0.00 C ATOM 115 OE1 GLN A 27 -6.060 -7.088 8.977 1.00 0.00 O ATOM 116 NE2 GLN A 27 -7.740 -5.735 9.578 1.00 0.00 N ATOM 0 H GLN A 27 -7.193 -2.270 7.008 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.682 -3.518 6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.463 -4.585 6.753 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.116 -5.582 6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.840 -4.931 8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.148 -3.879 8.772 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.144 -4.799 9.553 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.225 -6.487 10.068 1.00 0.00 H new ATOM 125 N LEU A 28 -5.089 -3.236 3.701 1.00 0.00 N ATOM 126 CA LEU A 28 -5.250 -3.130 2.246 1.00 0.00 C ATOM 127 C LEU A 28 -4.558 -4.325 1.573 1.00 0.00 C ATOM 128 O LEU A 28 -3.420 -4.675 1.917 1.00 0.00 O ATOM 129 CB LEU A 28 -4.660 -1.785 1.745 1.00 0.00 C ATOM 130 CG LEU A 28 -5.159 -0.499 2.490 1.00 0.00 C ATOM 131 CD1 LEU A 28 -4.408 0.758 2.005 1.00 0.00 C ATOM 132 CD2 LEU A 28 -6.692 -0.323 2.353 1.00 0.00 C ATOM 0 H LEU A 28 -4.129 -3.097 4.017 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.309 -3.149 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.574 -1.833 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.892 -1.681 0.685 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.937 -0.630 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.778 1.632 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.341 0.640 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.574 0.891 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.003 0.578 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.955 -0.235 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.197 -1.188 2.782 1.00 0.00 H new ATOM 144 N ARG A 29 -5.263 -4.961 0.631 1.00 0.00 N ATOM 145 CA ARG A 29 -4.758 -6.135 -0.092 1.00 0.00 C ATOM 146 C ARG A 29 -4.229 -5.701 -1.455 1.00 0.00 C ATOM 147 O ARG A 29 -4.929 -5.047 -2.230 1.00 0.00 O ATOM 148 CB ARG A 29 -5.858 -7.208 -0.244 1.00 0.00 C ATOM 149 CG ARG A 29 -6.271 -7.886 1.078 1.00 0.00 C ATOM 150 CD ARG A 29 -7.382 -8.924 0.865 1.00 0.00 C ATOM 151 NE ARG A 29 -7.754 -9.612 2.121 1.00 0.00 N ATOM 152 CZ ARG A 29 -8.848 -9.352 2.862 1.00 0.00 C ATOM 153 NH1 ARG A 29 -9.708 -8.393 2.507 1.00 0.00 N ATOM 154 NH2 ARG A 29 -9.085 -10.062 3.956 1.00 0.00 N ATOM 0 H ARG A 29 -6.201 -4.677 0.348 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.945 -6.581 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.738 -6.748 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.509 -7.973 -0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.403 -8.370 1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.612 -7.129 1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.261 -8.432 0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.052 -9.661 0.133 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.129 -10.346 2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.541 -7.845 1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.532 -8.209 3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.440 -10.802 4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.912 -9.869 4.520 1.00 0.00 H new ATOM 168 N VAL A 30 -2.989 -6.084 -1.726 1.00 0.00 N ATOM 169 CA VAL A 30 -2.261 -5.688 -2.931 1.00 0.00 C ATOM 170 C VAL A 30 -2.171 -6.897 -3.871 1.00 0.00 C ATOM 171 O VAL A 30 -1.863 -8.008 -3.428 1.00 0.00 O ATOM 172 CB VAL A 30 -0.809 -5.166 -2.589 1.00 0.00 C ATOM 173 CG1 VAL A 30 -0.258 -4.274 -3.715 1.00 0.00 C ATOM 174 CG2 VAL A 30 -0.766 -4.432 -1.230 1.00 0.00 C ATOM 0 H VAL A 30 -2.449 -6.688 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.799 -4.871 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.165 -6.042 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.742 -3.930 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.212 -4.845 -4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.913 -3.414 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.250 -4.090 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.439 -3.575 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.079 -5.113 -0.439 1.00 0.00 H new ATOM 184 N GLN A 31 -2.474 -6.685 -5.152 1.00 0.00 N ATOM 185 CA GLN A 31 -2.338 -7.704 -6.208 1.00 0.00 C ATOM 186 C GLN A 31 -1.791 -7.040 -7.470 1.00 0.00 C ATOM 187 O GLN A 31 -1.999 -5.844 -7.686 1.00 0.00 O ATOM 188 CB GLN A 31 -3.684 -8.439 -6.526 1.00 0.00 C ATOM 189 CG GLN A 31 -4.093 -9.554 -5.522 1.00 0.00 C ATOM 190 CD GLN A 31 -5.258 -9.202 -4.607 1.00 0.00 C ATOM 191 OE1 GLN A 31 -6.420 -9.435 -4.945 1.00 0.00 O ATOM 192 NE2 GLN A 31 -4.964 -8.649 -3.437 1.00 0.00 N ATOM 0 H GLN A 31 -2.826 -5.791 -5.496 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.649 -8.467 -5.845 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.482 -7.698 -6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.611 -8.879 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.351 -10.451 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.229 -9.802 -4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.991 -8.469 -3.188 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.711 -8.404 -2.787 1.00 0.00 H new ATOM 201 N GLY A 32 -1.105 -7.834 -8.303 1.00 0.00 N ATOM 202 CA GLY A 32 -0.535 -7.339 -9.552 1.00 0.00 C ATOM 203 C GLY A 32 -1.479 -7.503 -10.731 1.00 0.00 C ATOM 204 O GLY A 32 -2.674 -7.764 -10.544 1.00 0.00 O ATOM 0 H GLY A 32 -0.934 -8.824 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.281 -6.285 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.394 -7.870 -9.759 1.00 0.00 H new ATOM 208 N LYS A 33 -0.954 -7.252 -11.948 1.00 0.00 N ATOM 209 CA LYS A 33 -1.505 -7.786 -13.217 1.00 0.00 C ATOM 210 C LYS A 33 -2.030 -9.234 -13.052 1.00 0.00 C ATOM 211 O LYS A 33 -3.080 -9.601 -13.582 1.00 0.00 O ATOM 212 CB LYS A 33 -0.391 -7.712 -14.305 1.00 0.00 C ATOM 213 CG LYS A 33 0.932 -8.416 -13.906 1.00 0.00 C ATOM 214 CD LYS A 33 2.028 -8.336 -14.985 1.00 0.00 C ATOM 215 CE LYS A 33 3.324 -9.044 -14.545 1.00 0.00 C ATOM 216 NZ LYS A 33 4.398 -8.921 -15.562 1.00 0.00 N ATOM 0 H LYS A 33 -0.128 -6.668 -12.082 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.361 -7.182 -13.520 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.766 -8.161 -15.225 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.181 -6.665 -14.524 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.308 -7.969 -12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.724 -9.464 -13.689 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.663 -8.788 -15.907 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.243 -7.291 -15.206 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.667 -8.618 -13.602 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.117 -10.098 -14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.285 -9.306 -15.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.130 -9.452 -16.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.533 -7.919 -15.805 1.00 0.00 H new ATOM 230 N GLU A 34 -1.275 -10.028 -12.285 1.00 0.00 N ATOM 231 CA GLU A 34 -1.698 -11.335 -11.813 1.00 0.00 C ATOM 232 C GLU A 34 -2.404 -11.136 -10.464 1.00 0.00 C ATOM 233 O GLU A 34 -1.768 -10.709 -9.495 1.00 0.00 O ATOM 234 CB GLU A 34 -0.472 -12.275 -11.654 1.00 0.00 C ATOM 235 CG GLU A 34 0.357 -12.471 -12.935 1.00 0.00 C ATOM 236 CD GLU A 34 -0.466 -13.059 -14.091 1.00 0.00 C ATOM 237 OE1 GLU A 34 -0.895 -14.230 -13.987 1.00 0.00 O ATOM 238 OE2 GLU A 34 -0.689 -12.358 -15.106 1.00 0.00 O ATOM 0 H GLU A 34 -0.339 -9.769 -11.974 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.376 -11.798 -12.530 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.177 -11.875 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.820 -13.249 -11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.774 -11.512 -13.243 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.198 -13.131 -12.721 1.00 0.00 H new ATOM 245 N LYS A 35 -3.724 -11.386 -10.413 1.00 0.00 N ATOM 246 CA LYS A 35 -4.491 -11.335 -9.148 1.00 0.00 C ATOM 247 C LYS A 35 -4.136 -12.532 -8.243 1.00 0.00 C ATOM 248 O LYS A 35 -4.409 -12.516 -7.044 1.00 0.00 O ATOM 249 CB LYS A 35 -6.016 -11.262 -9.414 1.00 0.00 C ATOM 250 CG LYS A 35 -6.621 -12.454 -10.188 1.00 0.00 C ATOM 251 CD LYS A 35 -8.135 -12.279 -10.513 1.00 0.00 C ATOM 252 CE LYS A 35 -8.433 -11.191 -11.574 1.00 0.00 C ATOM 253 NZ LYS A 35 -8.184 -9.800 -11.099 1.00 0.00 N ATOM 0 H LYS A 35 -4.285 -11.626 -11.230 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.209 -10.422 -8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.529 -11.177 -8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.225 -10.348 -9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.071 -12.589 -11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.486 -13.364 -9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.533 -13.231 -10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.666 -12.030 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.819 -11.379 -12.455 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.474 -11.277 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.935 -9.173 -11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.180 -9.784 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.263 -9.472 -11.454 1.00 0.00 H new ATOM 267 N HIS A 36 -3.525 -13.572 -8.849 1.00 0.00 N ATOM 268 CA HIS A 36 -2.953 -14.719 -8.115 1.00 0.00 C ATOM 269 C HIS A 36 -1.673 -14.286 -7.369 1.00 0.00 C ATOM 270 O HIS A 36 -1.327 -14.866 -6.336 1.00 0.00 O ATOM 271 CB HIS A 36 -2.664 -15.898 -9.082 1.00 0.00 C ATOM 272 CG HIS A 36 -3.902 -16.553 -9.645 1.00 0.00 C ATOM 273 ND1 HIS A 36 -4.094 -17.916 -9.645 1.00 0.00 N ATOM 274 CD2 HIS A 36 -5.011 -16.027 -10.223 1.00 0.00 C ATOM 275 CE1 HIS A 36 -5.258 -18.199 -10.194 1.00 0.00 C ATOM 276 NE2 HIS A 36 -5.835 -17.070 -10.548 1.00 0.00 N ATOM 0 H HIS A 36 -3.415 -13.639 -9.861 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.679 -15.063 -7.379 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.051 -15.535 -9.907 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.076 -16.650 -8.555 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.207 -14.979 -10.395 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.669 -19.189 -10.330 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -6.749 -16.986 -10.993 1.00 0.00 H new ATOM 285 N GLN A 37 -0.981 -13.257 -7.911 1.00 0.00 N ATOM 286 CA GLN A 37 0.152 -12.595 -7.234 1.00 0.00 C ATOM 287 C GLN A 37 -0.414 -11.675 -6.135 1.00 0.00 C ATOM 288 O GLN A 37 -0.707 -10.501 -6.384 1.00 0.00 O ATOM 289 CB GLN A 37 1.008 -11.789 -8.267 1.00 0.00 C ATOM 290 CG GLN A 37 2.279 -11.123 -7.704 1.00 0.00 C ATOM 291 CD GLN A 37 3.328 -12.132 -7.239 1.00 0.00 C ATOM 292 OE1 GLN A 37 3.341 -12.553 -6.081 1.00 0.00 O ATOM 293 NE2 GLN A 37 4.204 -12.544 -8.144 1.00 0.00 N ATOM 0 H GLN A 37 -1.194 -12.865 -8.828 1.00 0.00 H new ATOM 0 HA GLN A 37 0.809 -13.337 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.299 -12.462 -9.074 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.379 -11.016 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.715 -10.481 -8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.005 -10.481 -6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.167 -12.176 -9.095 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.916 -13.229 -7.890 1.00 0.00 H new ATOM 302 N THR A 38 -0.621 -12.242 -4.935 1.00 0.00 N ATOM 303 CA THR A 38 -1.278 -11.554 -3.815 1.00 0.00 C ATOM 304 C THR A 38 -0.304 -11.356 -2.648 1.00 0.00 C ATOM 305 O THR A 38 0.477 -12.255 -2.319 1.00 0.00 O ATOM 306 CB THR A 38 -2.521 -12.373 -3.311 1.00 0.00 C ATOM 307 OG1 THR A 38 -3.383 -12.694 -4.415 1.00 0.00 O ATOM 308 CG2 THR A 38 -3.339 -11.609 -2.248 1.00 0.00 C ATOM 0 H THR A 38 -0.335 -13.196 -4.715 1.00 0.00 H new ATOM 0 HA THR A 38 -1.608 -10.580 -4.177 1.00 0.00 H new ATOM 0 HB THR A 38 -2.132 -13.282 -2.852 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.154 -12.131 -5.184 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.186 -12.219 -1.933 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.706 -11.395 -1.387 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.703 -10.673 -2.672 1.00 0.00 H new ATOM 316 N LEU A 39 -0.348 -10.156 -2.060 1.00 0.00 N ATOM 317 CA LEU A 39 0.278 -9.848 -0.772 1.00 0.00 C ATOM 318 C LEU A 39 -0.699 -8.988 0.043 1.00 0.00 C ATOM 319 O LEU A 39 -1.285 -8.052 -0.497 1.00 0.00 O ATOM 320 CB LEU A 39 1.609 -9.082 -0.975 1.00 0.00 C ATOM 321 CG LEU A 39 2.473 -8.895 0.313 1.00 0.00 C ATOM 322 CD1 LEU A 39 3.030 -10.247 0.820 1.00 0.00 C ATOM 323 CD2 LEU A 39 3.598 -7.867 0.091 1.00 0.00 C ATOM 0 H LEU A 39 -0.829 -9.358 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 39 0.502 -10.775 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.204 -9.612 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.384 -8.099 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 39 1.821 -8.499 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.626 -10.081 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.202 -10.917 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.654 -10.696 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.180 -7.761 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.248 -8.208 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.163 -6.904 -0.176 1.00 0.00 H new ATOM 335 N GLU A 40 -0.879 -9.305 1.331 1.00 0.00 N ATOM 336 CA GLU A 40 -1.744 -8.528 2.239 1.00 0.00 C ATOM 337 C GLU A 40 -0.853 -7.785 3.259 1.00 0.00 C ATOM 338 O GLU A 40 0.017 -8.386 3.903 1.00 0.00 O ATOM 339 CB GLU A 40 -2.776 -9.458 2.943 1.00 0.00 C ATOM 340 CG GLU A 40 -2.145 -10.515 3.868 1.00 0.00 C ATOM 341 CD GLU A 40 -3.169 -11.423 4.564 1.00 0.00 C ATOM 342 OE1 GLU A 40 -3.660 -12.381 3.927 1.00 0.00 O ATOM 343 OE2 GLU A 40 -3.494 -11.183 5.746 1.00 0.00 O ATOM 0 H GLU A 40 -0.431 -10.106 1.777 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.316 -7.794 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.463 -8.844 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.370 -9.965 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.463 -11.133 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.547 -10.010 4.627 1.00 0.00 H new ATOM 350 N VAL A 41 -1.028 -6.467 3.335 1.00 0.00 N ATOM 351 CA VAL A 41 -0.247 -5.586 4.222 1.00 0.00 C ATOM 352 C VAL A 41 -1.177 -4.598 4.964 1.00 0.00 C ATOM 353 O VAL A 41 -2.206 -4.164 4.426 1.00 0.00 O ATOM 354 CB VAL A 41 0.854 -4.816 3.381 1.00 0.00 C ATOM 355 CG1 VAL A 41 0.234 -4.182 2.122 1.00 0.00 C ATOM 356 CG2 VAL A 41 1.609 -3.757 4.232 1.00 0.00 C ATOM 0 H VAL A 41 -1.722 -5.968 2.779 1.00 0.00 H new ATOM 0 HA VAL A 41 0.256 -6.193 4.974 1.00 0.00 H new ATOM 0 HB VAL A 41 1.594 -5.551 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.007 -3.659 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.202 -4.963 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.542 -3.475 2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.353 -3.256 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.899 -3.023 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.105 -4.249 5.069 1.00 0.00 H new ATOM 366 N SER A 42 -0.798 -4.259 6.207 1.00 0.00 N ATOM 367 CA SER A 42 -1.501 -3.260 7.014 1.00 0.00 C ATOM 368 C SER A 42 -0.783 -1.907 6.839 1.00 0.00 C ATOM 369 O SER A 42 0.349 -1.718 7.314 1.00 0.00 O ATOM 370 CB SER A 42 -1.541 -3.709 8.501 1.00 0.00 C ATOM 371 OG SER A 42 -0.245 -4.010 8.999 1.00 0.00 O ATOM 0 H SER A 42 0.007 -4.673 6.677 1.00 0.00 H new ATOM 0 HA SER A 42 -2.535 -3.155 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.988 -2.921 9.106 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.180 -4.587 8.598 1.00 0.00 H new ATOM 0 HG SER A 42 0.406 -3.386 8.616 1.00 0.00 H new ATOM 377 N LEU A 43 -1.437 -0.996 6.103 1.00 0.00 N ATOM 378 CA LEU A 43 -0.957 0.379 5.908 1.00 0.00 C ATOM 379 C LEU A 43 -1.493 1.254 7.030 1.00 0.00 C ATOM 380 O LEU A 43 -2.688 1.238 7.294 1.00 0.00 O ATOM 381 CB LEU A 43 -1.384 0.951 4.527 1.00 0.00 C ATOM 382 CG LEU A 43 -0.985 2.445 4.249 1.00 0.00 C ATOM 383 CD1 LEU A 43 0.511 2.692 4.504 1.00 0.00 C ATOM 384 CD2 LEU A 43 -1.351 2.878 2.822 1.00 0.00 C ATOM 0 H LEU A 43 -2.316 -1.193 5.625 1.00 0.00 H new ATOM 0 HA LEU A 43 0.133 0.370 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.947 0.328 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.467 0.862 4.438 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.559 3.052 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.747 3.736 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.746 2.463 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.102 2.052 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.058 3.917 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.828 2.246 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.427 2.779 2.676 1.00 0.00 H new ATOM 396 N SER A 44 -0.610 2.039 7.659 1.00 0.00 N ATOM 397 CA SER A 44 -0.990 2.943 8.746 1.00 0.00 C ATOM 398 C SER A 44 -1.746 4.144 8.149 1.00 0.00 C ATOM 399 O SER A 44 -1.368 4.645 7.082 1.00 0.00 O ATOM 400 CB SER A 44 0.268 3.388 9.510 1.00 0.00 C ATOM 401 OG SER A 44 1.045 2.274 9.920 1.00 0.00 O ATOM 0 H SER A 44 0.383 2.064 7.429 1.00 0.00 H new ATOM 0 HA SER A 44 -1.646 2.437 9.454 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.869 4.039 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.022 3.972 10.383 1.00 0.00 H new ATOM 0 HG SER A 44 1.839 2.588 10.402 1.00 0.00 H new ATOM 407 N ARG A 45 -2.807 4.586 8.840 1.00 0.00 N ATOM 408 CA ARG A 45 -3.745 5.614 8.329 1.00 0.00 C ATOM 409 C ARG A 45 -3.050 6.973 8.070 1.00 0.00 C ATOM 410 O ARG A 45 -3.485 7.747 7.215 1.00 0.00 O ATOM 411 CB ARG A 45 -4.919 5.791 9.321 1.00 0.00 C ATOM 412 CG ARG A 45 -4.496 6.241 10.737 1.00 0.00 C ATOM 413 CD ARG A 45 -5.697 6.446 11.668 1.00 0.00 C ATOM 414 NE ARG A 45 -6.594 7.513 11.187 1.00 0.00 N ATOM 415 CZ ARG A 45 -7.920 7.551 11.384 1.00 0.00 C ATOM 416 NH1 ARG A 45 -8.536 6.578 12.039 1.00 0.00 N ATOM 417 NH2 ARG A 45 -8.621 8.563 10.911 1.00 0.00 N ATOM 0 H ARG A 45 -3.045 4.244 9.771 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.124 5.264 7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.616 6.523 8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.458 4.847 9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.829 5.495 11.168 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.932 7.171 10.666 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.255 5.513 11.750 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.342 6.694 12.668 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.174 8.281 10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.001 5.788 12.400 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.545 6.619 12.182 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.154 9.311 10.398 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.630 8.597 11.058 1.00 0.00 H new ATOM 431 N ASP A 46 -1.973 7.233 8.827 1.00 0.00 N ATOM 432 CA ASP A 46 -1.173 8.472 8.732 1.00 0.00 C ATOM 433 C ASP A 46 -0.077 8.349 7.655 1.00 0.00 C ATOM 434 O ASP A 46 0.347 9.346 7.070 1.00 0.00 O ATOM 435 CB ASP A 46 -0.519 8.765 10.113 1.00 0.00 C ATOM 436 CG ASP A 46 0.528 7.702 10.514 1.00 0.00 C ATOM 437 OD1 ASP A 46 0.130 6.571 10.876 1.00 0.00 O ATOM 438 OD2 ASP A 46 1.749 7.976 10.430 1.00 0.00 O ATOM 0 H ASP A 46 -1.626 6.583 9.532 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.835 9.290 8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.043 9.745 10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.296 8.810 10.876 1.00 0.00 H new ATOM 443 N SER A 47 0.373 7.112 7.412 1.00 0.00 N ATOM 444 CA SER A 47 1.565 6.829 6.610 1.00 0.00 C ATOM 445 C SER A 47 1.218 6.786 5.107 1.00 0.00 C ATOM 446 O SER A 47 0.214 6.167 4.732 1.00 0.00 O ATOM 447 CB SER A 47 2.184 5.498 7.071 1.00 0.00 C ATOM 448 OG SER A 47 2.537 5.549 8.449 1.00 0.00 O ATOM 0 H SER A 47 -0.085 6.274 7.770 1.00 0.00 H new ATOM 0 HA SER A 47 2.292 7.628 6.755 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.476 4.686 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.069 5.278 6.473 1.00 0.00 H new ATOM 0 HG SER A 47 2.927 4.691 8.719 1.00 0.00 H new ATOM 454 N PRO A 48 2.035 7.461 4.226 1.00 0.00 N ATOM 455 CA PRO A 48 1.823 7.441 2.765 1.00 0.00 C ATOM 456 C PRO A 48 1.893 6.032 2.167 1.00 0.00 C ATOM 457 O PRO A 48 2.532 5.138 2.728 1.00 0.00 O ATOM 458 CB PRO A 48 2.951 8.329 2.173 1.00 0.00 C ATOM 459 CG PRO A 48 3.655 8.975 3.328 1.00 0.00 C ATOM 460 CD PRO A 48 3.196 8.295 4.608 1.00 0.00 C ATOM 0 HA PRO A 48 0.824 7.806 2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.646 7.729 1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.537 9.083 1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.735 8.881 3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.429 10.041 3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.992 7.685 5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.918 9.030 5.364 1.00 0.00 H new ATOM 468 N LEU A 49 1.260 5.883 1.004 1.00 0.00 N ATOM 469 CA LEU A 49 1.251 4.647 0.213 1.00 0.00 C ATOM 470 C LEU A 49 2.668 4.150 -0.104 1.00 0.00 C ATOM 471 O LEU A 49 2.854 2.954 -0.270 1.00 0.00 O ATOM 472 CB LEU A 49 0.423 4.864 -1.095 1.00 0.00 C ATOM 473 CG LEU A 49 -1.113 4.637 -0.990 1.00 0.00 C ATOM 474 CD1 LEU A 49 -1.414 3.138 -0.835 1.00 0.00 C ATOM 475 CD2 LEU A 49 -1.741 5.466 0.149 1.00 0.00 C ATOM 0 H LEU A 49 0.725 6.636 0.572 1.00 0.00 H new ATOM 0 HA LEU A 49 0.777 3.868 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.594 5.883 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.815 4.196 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.573 4.987 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.491 2.989 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.031 2.598 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.934 2.762 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.814 5.278 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.289 5.181 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.565 6.526 -0.033 1.00 0.00 H new ATOM 487 N LYS A 50 3.660 5.064 -0.161 1.00 0.00 N ATOM 488 CA LYS A 50 5.063 4.711 -0.465 1.00 0.00 C ATOM 489 C LYS A 50 5.654 3.711 0.551 1.00 0.00 C ATOM 490 O LYS A 50 6.500 2.890 0.185 1.00 0.00 O ATOM 491 CB LYS A 50 5.962 5.969 -0.527 1.00 0.00 C ATOM 492 CG LYS A 50 6.207 6.667 0.829 1.00 0.00 C ATOM 493 CD LYS A 50 7.261 7.790 0.739 1.00 0.00 C ATOM 494 CE LYS A 50 7.575 8.417 2.105 1.00 0.00 C ATOM 495 NZ LYS A 50 8.668 9.417 2.028 1.00 0.00 N ATOM 0 H LYS A 50 3.513 6.060 0.001 1.00 0.00 H new ATOM 0 HA LYS A 50 5.045 4.231 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.925 5.687 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.509 6.687 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.268 7.084 1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.532 5.927 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.178 7.388 0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.903 8.565 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.677 8.893 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.853 7.631 2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.844 9.812 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.534 8.959 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.394 10.182 1.379 1.00 0.00 H new ATOM 509 N THR A 51 5.224 3.804 1.832 1.00 0.00 N ATOM 510 CA THR A 51 5.714 2.903 2.887 1.00 0.00 C ATOM 511 C THR A 51 5.192 1.456 2.644 1.00 0.00 C ATOM 512 O THR A 51 5.873 0.466 2.946 1.00 0.00 O ATOM 513 CB THR A 51 5.346 3.428 4.326 1.00 0.00 C ATOM 514 OG1 THR A 51 6.206 2.841 5.304 1.00 0.00 O ATOM 515 CG2 THR A 51 3.898 3.147 4.731 1.00 0.00 C ATOM 0 H THR A 51 4.542 4.492 2.152 1.00 0.00 H new ATOM 0 HA THR A 51 6.803 2.883 2.838 1.00 0.00 H new ATOM 0 HB THR A 51 5.475 4.509 4.284 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.967 3.177 6.193 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.718 3.537 5.733 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.222 3.632 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.720 2.072 4.723 1.00 0.00 H new ATOM 523 N LEU A 52 3.971 1.375 2.066 1.00 0.00 N ATOM 524 CA LEU A 52 3.327 0.122 1.622 1.00 0.00 C ATOM 525 C LEU A 52 3.992 -0.395 0.328 1.00 0.00 C ATOM 526 O LEU A 52 4.152 -1.605 0.146 1.00 0.00 O ATOM 527 CB LEU A 52 1.794 0.380 1.428 1.00 0.00 C ATOM 528 CG LEU A 52 0.917 -0.780 0.811 1.00 0.00 C ATOM 529 CD1 LEU A 52 -0.516 -0.758 1.387 1.00 0.00 C ATOM 530 CD2 LEU A 52 0.860 -0.727 -0.748 1.00 0.00 C ATOM 0 H LEU A 52 3.395 2.199 1.893 1.00 0.00 H new ATOM 0 HA LEU A 52 3.455 -0.653 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.373 0.635 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.681 1.258 0.792 1.00 0.00 H new ATOM 0 HG LEU A 52 1.405 -1.713 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.098 -1.567 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.476 -0.889 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.987 0.197 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.244 -1.547 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.428 0.222 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.868 -0.819 -1.152 1.00 0.00 H new ATOM 542 N MET A 53 4.343 0.549 -0.569 1.00 0.00 N ATOM 543 CA MET A 53 5.055 0.264 -1.836 1.00 0.00 C ATOM 544 C MET A 53 6.397 -0.413 -1.558 1.00 0.00 C ATOM 545 O MET A 53 6.766 -1.382 -2.229 1.00 0.00 O ATOM 546 CB MET A 53 5.272 1.564 -2.661 1.00 0.00 C ATOM 547 CG MET A 53 3.979 2.239 -3.111 1.00 0.00 C ATOM 548 SD MET A 53 4.276 3.759 -4.034 1.00 0.00 S ATOM 549 CE MET A 53 2.596 4.294 -4.343 1.00 0.00 C ATOM 0 H MET A 53 4.139 1.539 -0.435 1.00 0.00 H new ATOM 0 HA MET A 53 4.434 -0.413 -2.422 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.848 2.269 -2.063 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.871 1.328 -3.540 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.409 1.547 -3.731 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.367 2.462 -2.237 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.561 4.865 -5.271 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.947 3.423 -4.428 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.256 4.921 -3.518 1.00 0.00 H new ATOM 559 N SER A 54 7.076 0.098 -0.516 1.00 0.00 N ATOM 560 CA SER A 54 8.339 -0.447 -0.020 1.00 0.00 C ATOM 561 C SER A 54 8.115 -1.861 0.526 1.00 0.00 C ATOM 562 O SER A 54 8.889 -2.765 0.241 1.00 0.00 O ATOM 563 CB SER A 54 8.917 0.471 1.079 1.00 0.00 C ATOM 564 OG SER A 54 9.058 1.802 0.613 1.00 0.00 O ATOM 0 H SER A 54 6.754 0.912 0.008 1.00 0.00 H new ATOM 0 HA SER A 54 9.055 -0.497 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.263 0.455 1.951 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.886 0.091 1.401 1.00 0.00 H new ATOM 0 HG SER A 54 8.171 2.196 0.474 1.00 0.00 H new ATOM 570 N HIS A 55 6.998 -2.043 1.259 1.00 0.00 N ATOM 571 CA HIS A 55 6.669 -3.316 1.918 1.00 0.00 C ATOM 572 C HIS A 55 6.510 -4.440 0.873 1.00 0.00 C ATOM 573 O HIS A 55 7.099 -5.511 1.019 1.00 0.00 O ATOM 574 CB HIS A 55 5.369 -3.168 2.760 1.00 0.00 C ATOM 575 CG HIS A 55 5.107 -4.311 3.723 1.00 0.00 C ATOM 576 ND1 HIS A 55 5.093 -4.144 5.089 1.00 0.00 N ATOM 577 CD2 HIS A 55 4.846 -5.630 3.514 1.00 0.00 C ATOM 578 CE1 HIS A 55 4.843 -5.293 5.674 1.00 0.00 C ATOM 579 NE2 HIS A 55 4.688 -6.212 4.744 1.00 0.00 N ATOM 0 H HIS A 55 6.303 -1.312 1.408 1.00 0.00 H new ATOM 0 HA HIS A 55 7.488 -3.582 2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.422 -2.238 3.326 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.520 -3.080 2.082 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.776 -6.126 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.776 -5.457 6.739 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.484 -7.197 4.912 1.00 0.00 H new ATOM 588 N TYR A 56 5.700 -4.164 -0.165 1.00 0.00 N ATOM 589 CA TYR A 56 5.417 -5.107 -1.262 1.00 0.00 C ATOM 590 C TYR A 56 6.708 -5.605 -1.951 1.00 0.00 C ATOM 591 O TYR A 56 6.965 -6.820 -2.013 1.00 0.00 O ATOM 592 CB TYR A 56 4.465 -4.445 -2.301 1.00 0.00 C ATOM 593 CG TYR A 56 4.009 -5.375 -3.451 1.00 0.00 C ATOM 594 CD1 TYR A 56 2.858 -6.160 -3.334 1.00 0.00 C ATOM 595 CD2 TYR A 56 4.732 -5.468 -4.651 1.00 0.00 C ATOM 596 CE1 TYR A 56 2.446 -6.994 -4.360 1.00 0.00 C ATOM 597 CE2 TYR A 56 4.323 -6.305 -5.675 1.00 0.00 C ATOM 598 CZ TYR A 56 3.181 -7.062 -5.525 1.00 0.00 C ATOM 599 OH TYR A 56 2.767 -7.888 -6.550 1.00 0.00 O ATOM 0 H TYR A 56 5.219 -3.271 -0.267 1.00 0.00 H new ATOM 0 HA TYR A 56 4.929 -5.980 -0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.582 -4.076 -1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.967 -3.578 -2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.278 -6.115 -2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.625 -4.874 -4.778 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.552 -7.589 -4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.897 -6.365 -6.588 1.00 0.00 H new ATOM 0 HH TYR A 56 3.394 -7.819 -7.300 1.00 0.00 H new ATOM 609 N GLU A 57 7.491 -4.639 -2.471 1.00 0.00 N ATOM 610 CA GLU A 57 8.697 -4.933 -3.270 1.00 0.00 C ATOM 611 C GLU A 57 9.777 -5.663 -2.440 1.00 0.00 C ATOM 612 O GLU A 57 10.439 -6.569 -2.956 1.00 0.00 O ATOM 613 CB GLU A 57 9.273 -3.661 -3.955 1.00 0.00 C ATOM 614 CG GLU A 57 9.682 -2.535 -2.990 1.00 0.00 C ATOM 615 CD GLU A 57 10.354 -1.342 -3.679 1.00 0.00 C ATOM 616 OE1 GLU A 57 11.447 -1.525 -4.268 1.00 0.00 O ATOM 617 OE2 GLU A 57 9.807 -0.212 -3.635 1.00 0.00 O ATOM 0 H GLU A 57 7.308 -3.643 -2.351 1.00 0.00 H new ATOM 0 HA GLU A 57 8.383 -5.611 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.143 -3.947 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.529 -3.272 -4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.797 -2.185 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.362 -2.940 -2.241 1.00 0.00 H new ATOM 624 N GLU A 58 9.953 -5.272 -1.162 1.00 0.00 N ATOM 625 CA GLU A 58 10.903 -5.949 -0.253 1.00 0.00 C ATOM 626 C GLU A 58 10.470 -7.399 0.046 1.00 0.00 C ATOM 627 O GLU A 58 11.297 -8.321 -0.021 1.00 0.00 O ATOM 628 CB GLU A 58 11.088 -5.160 1.079 1.00 0.00 C ATOM 629 CG GLU A 58 11.701 -3.748 0.921 1.00 0.00 C ATOM 630 CD GLU A 58 13.050 -3.730 0.188 1.00 0.00 C ATOM 631 OE1 GLU A 58 14.080 -4.079 0.809 1.00 0.00 O ATOM 632 OE2 GLU A 58 13.093 -3.373 -1.010 1.00 0.00 O ATOM 0 H GLU A 58 9.452 -4.493 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 58 11.862 -5.977 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.118 -5.066 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.724 -5.744 1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.997 -3.116 0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.830 -3.307 1.909 1.00 0.00 H new ATOM 639 N ALA A 59 9.171 -7.587 0.364 1.00 0.00 N ATOM 640 CA ALA A 59 8.610 -8.864 0.862 1.00 0.00 C ATOM 641 C ALA A 59 8.801 -10.042 -0.112 1.00 0.00 C ATOM 642 O ALA A 59 9.325 -11.095 0.270 1.00 0.00 O ATOM 643 CB ALA A 59 7.113 -8.674 1.172 1.00 0.00 C ATOM 0 H ALA A 59 8.473 -6.848 0.281 1.00 0.00 H new ATOM 0 HA ALA A 59 9.162 -9.124 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.696 -9.612 1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.994 -7.902 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.589 -8.374 0.265 1.00 0.00 H new ATOM 649 N MET A 60 8.369 -9.858 -1.371 1.00 0.00 N ATOM 650 CA MET A 60 8.366 -10.941 -2.384 1.00 0.00 C ATOM 651 C MET A 60 9.520 -10.774 -3.396 1.00 0.00 C ATOM 652 O MET A 60 9.382 -11.133 -4.574 1.00 0.00 O ATOM 653 CB MET A 60 6.984 -11.003 -3.089 1.00 0.00 C ATOM 654 CG MET A 60 5.809 -11.319 -2.150 1.00 0.00 C ATOM 655 SD MET A 60 4.264 -11.660 -3.028 1.00 0.00 S ATOM 656 CE MET A 60 4.038 -10.152 -3.965 1.00 0.00 C ATOM 0 H MET A 60 8.015 -8.967 -1.718 1.00 0.00 H new ATOM 0 HA MET A 60 8.533 -11.891 -1.877 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.796 -10.048 -3.579 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.022 -11.760 -3.872 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.067 -12.181 -1.534 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.657 -10.478 -1.474 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.037 -10.139 -4.397 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.160 -9.292 -3.306 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.778 -10.105 -4.764 1.00 0.00 H new ATOM 666 N GLY A 61 10.672 -10.305 -2.882 1.00 0.00 N ATOM 667 CA GLY A 61 11.912 -10.126 -3.660 1.00 0.00 C ATOM 668 C GLY A 61 11.772 -9.490 -5.053 1.00 0.00 C ATOM 669 O GLY A 61 12.242 -10.055 -6.047 1.00 0.00 O ATOM 0 H GLY A 61 10.769 -10.036 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.595 -9.512 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.383 -11.102 -3.778 1.00 0.00 H new ATOM 673 N LEU A 62 11.131 -8.312 -5.121 1.00 0.00 N ATOM 674 CA LEU A 62 11.084 -7.469 -6.346 1.00 0.00 C ATOM 675 C LEU A 62 12.329 -6.544 -6.375 1.00 0.00 C ATOM 676 O LEU A 62 12.232 -5.348 -6.669 1.00 0.00 O ATOM 677 CB LEU A 62 9.764 -6.629 -6.398 1.00 0.00 C ATOM 678 CG LEU A 62 8.410 -7.388 -6.635 1.00 0.00 C ATOM 679 CD1 LEU A 62 8.480 -8.271 -7.891 1.00 0.00 C ATOM 680 CD2 LEU A 62 7.949 -8.174 -5.391 1.00 0.00 C ATOM 0 H LEU A 62 10.627 -7.909 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 62 11.094 -8.114 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.680 -6.083 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.873 -5.887 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 62 7.644 -6.632 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.528 -8.784 -8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.687 -7.649 -8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.275 -9.007 -7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.008 -8.680 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.706 -8.912 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.806 -7.486 -4.558 1.00 0.00 H new ATOM 692 N SER A 63 13.505 -7.138 -6.094 1.00 0.00 N ATOM 693 CA SER A 63 14.769 -6.409 -5.924 1.00 0.00 C ATOM 694 C SER A 63 15.309 -5.926 -7.283 1.00 0.00 C ATOM 695 O SER A 63 15.473 -6.724 -8.220 1.00 0.00 O ATOM 696 CB SER A 63 15.786 -7.321 -5.195 1.00 0.00 C ATOM 697 OG SER A 63 15.253 -7.803 -3.961 1.00 0.00 O ATOM 0 H SER A 63 13.601 -8.147 -5.978 1.00 0.00 H new ATOM 0 HA SER A 63 14.600 -5.520 -5.316 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.048 -8.163 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 63 16.705 -6.767 -5.006 1.00 0.00 H new ATOM 0 HG SER A 63 15.914 -8.378 -3.521 1.00 0.00 H new ATOM 703 N GLY A 64 15.546 -4.607 -7.387 1.00 0.00 N ATOM 704 CA GLY A 64 16.021 -3.977 -8.618 1.00 0.00 C ATOM 705 C GLY A 64 14.864 -3.510 -9.488 1.00 0.00 C ATOM 706 O GLY A 64 14.752 -2.320 -9.813 1.00 0.00 O ATOM 0 H GLY A 64 15.412 -3.953 -6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.658 -3.127 -8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.635 -4.684 -9.176 1.00 0.00 H new ATOM 710 N ARG A 65 13.993 -4.464 -9.859 1.00 0.00 N ATOM 711 CA ARG A 65 12.814 -4.200 -10.692 1.00 0.00 C ATOM 712 C ARG A 65 11.719 -3.506 -9.867 1.00 0.00 C ATOM 713 O ARG A 65 11.022 -4.157 -9.076 1.00 0.00 O ATOM 714 CB ARG A 65 12.263 -5.520 -11.290 1.00 0.00 C ATOM 715 CG ARG A 65 13.246 -6.288 -12.195 1.00 0.00 C ATOM 716 CD ARG A 65 12.642 -7.609 -12.707 1.00 0.00 C ATOM 717 NE ARG A 65 12.329 -8.549 -11.600 1.00 0.00 N ATOM 718 CZ ARG A 65 11.097 -8.948 -11.220 1.00 0.00 C ATOM 719 NH1 ARG A 65 10.003 -8.472 -11.814 1.00 0.00 N ATOM 720 NH2 ARG A 65 10.968 -9.817 -10.225 1.00 0.00 N ATOM 0 H ARG A 65 14.090 -5.442 -9.587 1.00 0.00 H new ATOM 0 HA ARG A 65 13.114 -3.542 -11.508 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.961 -6.173 -10.471 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.365 -5.293 -11.865 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.523 -5.662 -13.044 1.00 0.00 H new ATOM 0 HG3 ARG A 65 14.161 -6.498 -11.641 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.733 -7.397 -13.269 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.340 -8.083 -13.397 1.00 0.00 H new ATOM 0 HE ARG A 65 13.119 -8.928 -11.078 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.088 -7.793 -12.571 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.081 -8.786 -11.512 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.797 -10.179 -9.753 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.040 -10.123 -9.932 1.00 0.00 H new ATOM 734 N LYS A 66 11.591 -2.179 -10.034 1.00 0.00 N ATOM 735 CA LYS A 66 10.491 -1.412 -9.430 1.00 0.00 C ATOM 736 C LYS A 66 9.223 -1.593 -10.284 1.00 0.00 C ATOM 737 O LYS A 66 9.300 -1.760 -11.506 1.00 0.00 O ATOM 738 CB LYS A 66 10.827 0.101 -9.318 1.00 0.00 C ATOM 739 CG LYS A 66 9.842 0.898 -8.414 1.00 0.00 C ATOM 740 CD LYS A 66 10.164 0.777 -6.910 1.00 0.00 C ATOM 741 CE LYS A 66 11.528 1.387 -6.542 1.00 0.00 C ATOM 742 NZ LYS A 66 11.785 1.323 -5.082 1.00 0.00 N ATOM 0 H LYS A 66 12.238 -1.615 -10.584 1.00 0.00 H new ATOM 0 HA LYS A 66 10.332 -1.790 -8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.837 0.211 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.825 0.539 -10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.866 1.949 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.827 0.542 -8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.382 1.273 -6.335 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.152 -0.275 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.318 0.857 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.563 2.425 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.913 2.286 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.977 0.872 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.645 0.766 -4.905 1.00 0.00 H new ATOM 756 N LEU A 67 8.065 -1.560 -9.624 1.00 0.00 N ATOM 757 CA LEU A 67 6.755 -1.774 -10.248 1.00 0.00 C ATOM 758 C LEU A 67 5.802 -0.621 -9.861 1.00 0.00 C ATOM 759 O LEU A 67 6.003 0.048 -8.839 1.00 0.00 O ATOM 760 CB LEU A 67 6.185 -3.211 -9.904 1.00 0.00 C ATOM 761 CG LEU A 67 6.382 -3.812 -8.452 1.00 0.00 C ATOM 762 CD1 LEU A 67 7.849 -4.115 -8.107 1.00 0.00 C ATOM 763 CD2 LEU A 67 5.752 -2.934 -7.378 1.00 0.00 C ATOM 0 H LEU A 67 8.008 -1.381 -8.622 1.00 0.00 H new ATOM 0 HA LEU A 67 6.857 -1.756 -11.333 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.114 -3.192 -10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.629 -3.914 -10.609 1.00 0.00 H new ATOM 0 HG LEU A 67 5.858 -4.767 -8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.909 -4.524 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.247 -4.840 -8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.433 -3.196 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.912 -3.386 -6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.211 -1.945 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.682 -2.842 -7.565 1.00 0.00 H new ATOM 775 N SER A 68 4.791 -0.378 -10.704 1.00 0.00 N ATOM 776 CA SER A 68 3.834 0.731 -10.529 1.00 0.00 C ATOM 777 C SER A 68 2.684 0.304 -9.598 1.00 0.00 C ATOM 778 O SER A 68 2.361 -0.879 -9.522 1.00 0.00 O ATOM 779 CB SER A 68 3.300 1.158 -11.913 1.00 0.00 C ATOM 780 OG SER A 68 4.375 1.434 -12.806 1.00 0.00 O ATOM 0 H SER A 68 4.610 -0.946 -11.532 1.00 0.00 H new ATOM 0 HA SER A 68 4.335 1.581 -10.065 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.672 0.368 -12.325 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.672 2.043 -11.808 1.00 0.00 H new ATOM 0 HG SER A 68 4.016 1.701 -13.678 1.00 0.00 H new ATOM 786 N PHE A 69 2.097 1.270 -8.865 1.00 0.00 N ATOM 787 CA PHE A 69 0.930 1.038 -7.983 1.00 0.00 C ATOM 788 C PHE A 69 -0.245 1.902 -8.438 1.00 0.00 C ATOM 789 O PHE A 69 -0.081 3.100 -8.690 1.00 0.00 O ATOM 790 CB PHE A 69 1.267 1.347 -6.500 1.00 0.00 C ATOM 791 CG PHE A 69 2.188 0.321 -5.849 1.00 0.00 C ATOM 792 CD1 PHE A 69 3.559 0.347 -6.079 1.00 0.00 C ATOM 793 CD2 PHE A 69 1.681 -0.671 -5.005 1.00 0.00 C ATOM 794 CE1 PHE A 69 4.390 -0.581 -5.492 1.00 0.00 C ATOM 795 CE2 PHE A 69 2.517 -1.602 -4.420 1.00 0.00 C ATOM 796 CZ PHE A 69 3.870 -1.556 -4.662 1.00 0.00 C ATOM 0 H PHE A 69 2.418 2.238 -8.866 1.00 0.00 H new ATOM 0 HA PHE A 69 0.660 -0.016 -8.054 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.735 2.330 -6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.339 1.401 -5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.977 1.104 -6.726 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.620 -0.710 -4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.453 -0.547 -5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.109 -2.365 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.526 -2.281 -4.204 1.00 0.00 H new ATOM 806 N PHE A 70 -1.413 1.263 -8.591 1.00 0.00 N ATOM 807 CA PHE A 70 -2.679 1.932 -8.934 1.00 0.00 C ATOM 808 C PHE A 70 -3.762 1.601 -7.885 1.00 0.00 C ATOM 809 O PHE A 70 -3.668 0.616 -7.160 1.00 0.00 O ATOM 810 CB PHE A 70 -3.155 1.527 -10.364 1.00 0.00 C ATOM 811 CG PHE A 70 -2.327 2.103 -11.524 1.00 0.00 C ATOM 812 CD1 PHE A 70 -1.003 1.721 -11.731 1.00 0.00 C ATOM 813 CD2 PHE A 70 -2.883 3.018 -12.418 1.00 0.00 C ATOM 814 CE1 PHE A 70 -0.267 2.232 -12.783 1.00 0.00 C ATOM 815 CE2 PHE A 70 -2.146 3.531 -13.469 1.00 0.00 C ATOM 816 CZ PHE A 70 -0.839 3.137 -13.652 1.00 0.00 C ATOM 0 H PHE A 70 -1.508 0.254 -8.479 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.509 3.009 -8.930 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.144 0.440 -10.437 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.191 1.844 -10.487 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.544 1.013 -11.057 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.908 3.331 -12.287 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.758 1.922 -12.925 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.595 4.241 -14.147 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.263 3.536 -14.474 1.00 0.00 H new ATOM 826 N PHE A 71 -4.743 2.496 -7.782 1.00 0.00 N ATOM 827 CA PHE A 71 -5.951 2.314 -6.961 1.00 0.00 C ATOM 828 C PHE A 71 -7.156 2.862 -7.723 1.00 0.00 C ATOM 829 O PHE A 71 -7.259 4.078 -7.916 1.00 0.00 O ATOM 830 CB PHE A 71 -5.786 3.024 -5.591 1.00 0.00 C ATOM 831 CG PHE A 71 -7.044 3.042 -4.720 1.00 0.00 C ATOM 832 CD1 PHE A 71 -7.572 1.858 -4.203 1.00 0.00 C ATOM 833 CD2 PHE A 71 -7.692 4.243 -4.409 1.00 0.00 C ATOM 834 CE1 PHE A 71 -8.702 1.875 -3.411 1.00 0.00 C ATOM 835 CE2 PHE A 71 -8.823 4.253 -3.616 1.00 0.00 C ATOM 836 CZ PHE A 71 -9.327 3.070 -3.115 1.00 0.00 C ATOM 0 H PHE A 71 -4.725 3.389 -8.275 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.107 1.253 -6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -4.985 2.533 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.468 4.052 -5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.090 0.917 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.303 5.174 -4.794 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.099 0.949 -3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.313 5.188 -3.388 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.209 3.079 -2.492 1.00 0.00 H new ATOM 846 N ASP A 72 -8.065 1.954 -8.135 1.00 0.00 N ATOM 847 CA ASP A 72 -9.239 2.271 -8.979 1.00 0.00 C ATOM 848 C ASP A 72 -8.801 2.935 -10.317 1.00 0.00 C ATOM 849 O ASP A 72 -9.513 3.755 -10.909 1.00 0.00 O ATOM 850 CB ASP A 72 -10.244 3.134 -8.148 1.00 0.00 C ATOM 851 CG ASP A 72 -11.650 3.249 -8.764 1.00 0.00 C ATOM 852 OD1 ASP A 72 -12.355 2.218 -8.836 1.00 0.00 O ATOM 853 OD2 ASP A 72 -12.069 4.360 -9.153 1.00 0.00 O ATOM 0 H ASP A 72 -8.004 0.966 -7.888 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.756 1.356 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.333 2.705 -7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.831 4.136 -8.029 1.00 0.00 H new ATOM 858 N GLY A 73 -7.605 2.518 -10.788 1.00 0.00 N ATOM 859 CA GLY A 73 -6.988 3.041 -12.016 1.00 0.00 C ATOM 860 C GLY A 73 -6.217 4.353 -11.825 1.00 0.00 C ATOM 861 O GLY A 73 -5.648 4.881 -12.788 1.00 0.00 O ATOM 0 H GLY A 73 -7.043 1.806 -10.322 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.308 2.289 -12.416 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.767 3.196 -12.763 1.00 0.00 H new ATOM 865 N THR A 74 -6.195 4.879 -10.587 1.00 0.00 N ATOM 866 CA THR A 74 -5.449 6.106 -10.239 1.00 0.00 C ATOM 867 C THR A 74 -3.974 5.765 -9.952 1.00 0.00 C ATOM 868 O THR A 74 -3.691 4.946 -9.079 1.00 0.00 O ATOM 869 CB THR A 74 -6.090 6.813 -8.995 1.00 0.00 C ATOM 870 OG1 THR A 74 -7.463 7.127 -9.289 1.00 0.00 O ATOM 871 CG2 THR A 74 -5.349 8.102 -8.593 1.00 0.00 C ATOM 0 H THR A 74 -6.693 4.467 -9.798 1.00 0.00 H new ATOM 0 HA THR A 74 -5.499 6.790 -11.086 1.00 0.00 H new ATOM 0 HB THR A 74 -6.017 6.123 -8.154 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.871 7.568 -8.515 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.838 8.547 -7.726 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.315 7.865 -8.344 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.370 8.808 -9.424 1.00 0.00 H new ATOM 879 N LYS A 75 -3.051 6.392 -10.707 1.00 0.00 N ATOM 880 CA LYS A 75 -1.603 6.215 -10.501 1.00 0.00 C ATOM 881 C LYS A 75 -1.193 6.832 -9.147 1.00 0.00 C ATOM 882 O LYS A 75 -1.307 8.047 -8.945 1.00 0.00 O ATOM 883 CB LYS A 75 -0.779 6.830 -11.669 1.00 0.00 C ATOM 884 CG LYS A 75 0.764 6.741 -11.498 1.00 0.00 C ATOM 885 CD LYS A 75 1.282 5.287 -11.332 1.00 0.00 C ATOM 886 CE LYS A 75 2.811 5.208 -11.162 1.00 0.00 C ATOM 887 NZ LYS A 75 3.274 5.880 -9.920 1.00 0.00 N ATOM 0 H LYS A 75 -3.286 7.029 -11.469 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.384 5.147 -10.486 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.057 6.327 -12.595 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.058 7.878 -11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.245 7.194 -12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.060 7.326 -10.627 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.802 4.833 -10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.988 4.701 -12.203 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.119 4.163 -11.144 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.295 5.668 -12.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.212 5.515 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.334 6.906 -10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.600 5.690 -9.151 1.00 0.00 H new ATOM 901 N LEU A 76 -0.757 5.967 -8.227 1.00 0.00 N ATOM 902 CA LEU A 76 -0.284 6.361 -6.895 1.00 0.00 C ATOM 903 C LEU A 76 1.220 6.710 -7.000 1.00 0.00 C ATOM 904 O LEU A 76 2.026 5.859 -7.395 1.00 0.00 O ATOM 905 CB LEU A 76 -0.514 5.194 -5.892 1.00 0.00 C ATOM 906 CG LEU A 76 -1.936 4.550 -5.895 1.00 0.00 C ATOM 907 CD1 LEU A 76 -2.059 3.460 -4.801 1.00 0.00 C ATOM 908 CD2 LEU A 76 -3.037 5.630 -5.778 1.00 0.00 C ATOM 0 H LEU A 76 -0.722 4.960 -8.387 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.834 7.230 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.216 4.413 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.307 5.561 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.082 4.052 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.060 3.029 -4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.322 2.677 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.881 3.905 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.017 5.153 -5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.907 6.183 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.964 6.317 -6.621 1.00 0.00 H new ATOM 920 N SER A 77 1.578 7.961 -6.684 1.00 0.00 N ATOM 921 CA SER A 77 2.962 8.474 -6.800 1.00 0.00 C ATOM 922 C SER A 77 3.857 8.025 -5.628 1.00 0.00 C ATOM 923 O SER A 77 5.070 7.851 -5.790 1.00 0.00 O ATOM 924 CB SER A 77 2.928 10.013 -6.859 1.00 0.00 C ATOM 925 OG SER A 77 2.115 10.472 -7.926 1.00 0.00 O ATOM 0 H SER A 77 0.916 8.655 -6.338 1.00 0.00 H new ATOM 0 HA SER A 77 3.391 8.062 -7.713 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.549 10.406 -5.916 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.941 10.396 -6.980 1.00 0.00 H new ATOM 0 HG SER A 77 2.112 11.452 -7.937 1.00 0.00 H new ATOM 931 N GLY A 78 3.247 7.840 -4.455 1.00 0.00 N ATOM 932 CA GLY A 78 3.969 7.519 -3.228 1.00 0.00 C ATOM 933 C GLY A 78 3.569 8.408 -2.057 1.00 0.00 C ATOM 934 O GLY A 78 3.296 7.911 -0.961 1.00 0.00 O ATOM 0 H GLY A 78 2.237 7.909 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.786 6.477 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.040 7.619 -3.405 1.00 0.00 H new ATOM 938 N ARG A 79 3.516 9.730 -2.299 1.00 0.00 N ATOM 939 CA ARG A 79 3.359 10.753 -1.231 1.00 0.00 C ATOM 940 C ARG A 79 1.916 10.850 -0.717 1.00 0.00 C ATOM 941 O ARG A 79 1.691 11.364 0.383 1.00 0.00 O ATOM 942 CB ARG A 79 3.826 12.139 -1.746 1.00 0.00 C ATOM 943 CG ARG A 79 5.248 12.168 -2.347 1.00 0.00 C ATOM 944 CD ARG A 79 5.664 13.581 -2.797 1.00 0.00 C ATOM 945 NE ARG A 79 5.710 14.528 -1.662 1.00 0.00 N ATOM 946 CZ ARG A 79 5.214 15.776 -1.649 1.00 0.00 C ATOM 947 NH1 ARG A 79 4.636 16.302 -2.722 1.00 0.00 N ATOM 948 NH2 ARG A 79 5.313 16.501 -0.548 1.00 0.00 N ATOM 0 H ARG A 79 3.580 10.126 -3.237 1.00 0.00 H new ATOM 0 HA ARG A 79 3.983 10.438 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.121 12.485 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.782 12.850 -0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.960 11.800 -1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.294 11.490 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.643 13.537 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.961 13.945 -3.546 1.00 0.00 H new ATOM 0 HE ARG A 79 6.162 14.202 -0.807 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.561 15.756 -3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.267 17.252 -2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.763 16.111 0.280 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.940 17.450 -0.527 1.00 0.00 H new ATOM 962 N GLU A 80 0.948 10.359 -1.512 1.00 0.00 N ATOM 963 CA GLU A 80 -0.466 10.400 -1.147 1.00 0.00 C ATOM 964 C GLU A 80 -0.721 9.436 0.012 1.00 0.00 C ATOM 965 O GLU A 80 -0.058 8.404 0.158 1.00 0.00 O ATOM 966 CB GLU A 80 -1.403 10.081 -2.353 1.00 0.00 C ATOM 967 CG GLU A 80 -1.325 8.646 -2.919 1.00 0.00 C ATOM 968 CD GLU A 80 0.011 8.294 -3.579 1.00 0.00 C ATOM 969 OE1 GLU A 80 0.558 9.144 -4.309 1.00 0.00 O ATOM 970 OE2 GLU A 80 0.522 7.183 -3.384 1.00 0.00 O ATOM 0 H GLU A 80 1.130 9.927 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.702 11.417 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.432 10.273 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.174 10.779 -3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.513 7.940 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.123 8.514 -3.650 1.00 0.00 H new ATOM 977 N LEU A 81 -1.684 9.806 0.817 1.00 0.00 N ATOM 978 CA LEU A 81 -2.054 9.127 2.046 1.00 0.00 C ATOM 979 C LEU A 81 -3.321 8.285 1.782 1.00 0.00 C ATOM 980 O LEU A 81 -4.053 8.571 0.825 1.00 0.00 O ATOM 981 CB LEU A 81 -2.282 10.237 3.108 1.00 0.00 C ATOM 982 CG LEU A 81 -1.064 11.203 3.340 1.00 0.00 C ATOM 983 CD1 LEU A 81 -1.405 12.382 4.272 1.00 0.00 C ATOM 984 CD2 LEU A 81 0.163 10.437 3.860 1.00 0.00 C ATOM 0 H LEU A 81 -2.262 10.626 0.631 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.287 8.441 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.145 10.832 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.535 9.763 4.057 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.822 11.629 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.526 13.015 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.215 12.967 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.715 11.999 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.989 11.132 4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.083 9.955 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.454 9.680 3.132 1.00 0.00 H new ATOM 996 N PRO A 82 -3.609 7.218 2.592 1.00 0.00 N ATOM 997 CA PRO A 82 -4.813 6.380 2.382 1.00 0.00 C ATOM 998 C PRO A 82 -6.115 7.186 2.620 1.00 0.00 C ATOM 999 O PRO A 82 -7.104 7.002 1.915 1.00 0.00 O ATOM 1000 CB PRO A 82 -4.622 5.217 3.387 1.00 0.00 C ATOM 1001 CG PRO A 82 -3.728 5.775 4.454 1.00 0.00 C ATOM 1002 CD PRO A 82 -2.800 6.739 3.749 1.00 0.00 C ATOM 0 HA PRO A 82 -4.917 6.017 1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.576 4.891 3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.170 4.349 2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.308 6.283 5.224 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.167 4.982 4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.505 7.562 4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.884 6.247 3.422 1.00 0.00 H new ATOM 1010 N ALA A 83 -6.062 8.116 3.592 1.00 0.00 N ATOM 1011 CA ALA A 83 -7.156 9.070 3.876 1.00 0.00 C ATOM 1012 C ALA A 83 -7.437 9.977 2.655 1.00 0.00 C ATOM 1013 O ALA A 83 -8.592 10.295 2.357 1.00 0.00 O ATOM 1014 CB ALA A 83 -6.813 9.912 5.111 1.00 0.00 C ATOM 0 H ALA A 83 -5.256 8.229 4.207 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.063 8.501 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.625 10.611 5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.677 9.257 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.893 10.467 4.929 1.00 0.00 H new ATOM 1020 N ASP A 84 -6.356 10.343 1.939 1.00 0.00 N ATOM 1021 CA ASP A 84 -6.411 11.216 0.745 1.00 0.00 C ATOM 1022 C ASP A 84 -7.146 10.529 -0.423 1.00 0.00 C ATOM 1023 O ASP A 84 -8.008 11.133 -1.072 1.00 0.00 O ATOM 1024 CB ASP A 84 -4.969 11.597 0.322 1.00 0.00 C ATOM 1025 CG ASP A 84 -4.877 12.341 -1.026 1.00 0.00 C ATOM 1026 OD1 ASP A 84 -5.195 13.548 -1.070 1.00 0.00 O ATOM 1027 OD2 ASP A 84 -4.471 11.726 -2.039 1.00 0.00 O ATOM 0 H ASP A 84 -5.411 10.040 2.173 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.970 12.116 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.528 12.222 1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.368 10.689 0.264 1.00 0.00 H new ATOM 1032 N LEU A 85 -6.782 9.260 -0.668 1.00 0.00 N ATOM 1033 CA LEU A 85 -7.371 8.435 -1.746 1.00 0.00 C ATOM 1034 C LEU A 85 -8.789 7.950 -1.369 1.00 0.00 C ATOM 1035 O LEU A 85 -9.557 7.526 -2.237 1.00 0.00 O ATOM 1036 CB LEU A 85 -6.449 7.226 -2.029 1.00 0.00 C ATOM 1037 CG LEU A 85 -4.992 7.576 -2.471 1.00 0.00 C ATOM 1038 CD1 LEU A 85 -4.102 6.329 -2.437 1.00 0.00 C ATOM 1039 CD2 LEU A 85 -4.957 8.250 -3.871 1.00 0.00 C ATOM 0 H LEU A 85 -6.070 8.772 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.458 9.047 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.399 6.612 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.909 6.616 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.598 8.300 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.092 6.594 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.076 5.928 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.504 5.576 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.925 8.477 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.385 7.574 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.536 9.173 -3.845 1.00 0.00 H new ATOM 1051 N GLY A 86 -9.113 8.022 -0.064 1.00 0.00 N ATOM 1052 CA GLY A 86 -10.414 7.576 0.455 1.00 0.00 C ATOM 1053 C GLY A 86 -10.465 6.078 0.735 1.00 0.00 C ATOM 1054 O GLY A 86 -11.547 5.482 0.772 1.00 0.00 O ATOM 0 H GLY A 86 -8.485 8.388 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.637 8.119 1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.192 7.832 -0.264 1.00 0.00 H new ATOM 1058 N MET A 87 -9.278 5.482 0.938 1.00 0.00 N ATOM 1059 CA MET A 87 -9.108 4.051 1.240 1.00 0.00 C ATOM 1060 C MET A 87 -9.736 3.664 2.591 1.00 0.00 C ATOM 1061 O MET A 87 -9.818 4.469 3.524 1.00 0.00 O ATOM 1062 CB MET A 87 -7.603 3.658 1.224 1.00 0.00 C ATOM 1063 CG MET A 87 -6.966 3.648 -0.166 1.00 0.00 C ATOM 1064 SD MET A 87 -5.219 3.207 -0.116 1.00 0.00 S ATOM 1065 CE MET A 87 -4.904 2.871 -1.842 1.00 0.00 C ATOM 0 H MET A 87 -8.395 5.990 0.896 1.00 0.00 H new ATOM 0 HA MET A 87 -9.632 3.499 0.459 1.00 0.00 H new ATOM 0 HB2 MET A 87 -7.052 4.353 1.857 1.00 0.00 H new ATOM 0 HB3 MET A 87 -7.494 2.668 1.667 1.00 0.00 H new ATOM 0 HG2 MET A 87 -7.499 2.941 -0.802 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.077 4.632 -0.621 1.00 0.00 H new ATOM 0 HE1 MET A 87 -3.835 2.723 -1.995 1.00 0.00 H new ATOM 0 HE2 MET A 87 -5.441 1.971 -2.141 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.243 3.714 -2.445 1.00 0.00 H new ATOM 1075 N GLU A 88 -10.132 2.403 2.655 1.00 0.00 N ATOM 1076 CA GLU A 88 -10.851 1.788 3.768 1.00 0.00 C ATOM 1077 C GLU A 88 -10.370 0.320 3.823 1.00 0.00 C ATOM 1078 O GLU A 88 -9.874 -0.208 2.815 1.00 0.00 O ATOM 1079 CB GLU A 88 -12.407 1.904 3.512 1.00 0.00 C ATOM 1080 CG GLU A 88 -13.283 2.240 4.745 1.00 0.00 C ATOM 1081 CD GLU A 88 -13.391 1.111 5.788 1.00 0.00 C ATOM 1082 OE1 GLU A 88 -12.524 1.023 6.669 1.00 0.00 O ATOM 1083 OE2 GLU A 88 -14.344 0.305 5.726 1.00 0.00 O ATOM 0 H GLU A 88 -9.954 1.745 1.896 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.657 2.277 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.573 2.671 2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.756 0.961 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.876 3.127 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.286 2.496 4.402 1.00 0.00 H new ATOM 1090 N SER A 89 -10.496 -0.325 4.982 1.00 0.00 N ATOM 1091 CA SER A 89 -10.072 -1.729 5.178 1.00 0.00 C ATOM 1092 C SER A 89 -10.770 -2.671 4.165 1.00 0.00 C ATOM 1093 O SER A 89 -12.002 -2.773 4.142 1.00 0.00 O ATOM 1094 CB SER A 89 -10.393 -2.179 6.609 1.00 0.00 C ATOM 1095 OG SER A 89 -11.771 -1.985 6.907 1.00 0.00 O ATOM 0 H SER A 89 -10.894 0.103 5.818 1.00 0.00 H new ATOM 0 HA SER A 89 -8.996 -1.783 5.011 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.136 -3.231 6.730 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.782 -1.618 7.316 1.00 0.00 H new ATOM 0 HG SER A 89 -12.310 -2.205 6.119 1.00 0.00 H new ATOM 1101 N GLY A 90 -9.969 -3.318 3.308 1.00 0.00 N ATOM 1102 CA GLY A 90 -10.470 -4.271 2.319 1.00 0.00 C ATOM 1103 C GLY A 90 -10.349 -3.776 0.882 1.00 0.00 C ATOM 1104 O GLY A 90 -10.632 -4.537 -0.053 1.00 0.00 O ATOM 0 H GLY A 90 -8.957 -3.193 3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.923 -5.208 2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.516 -4.488 2.533 1.00 0.00 H new ATOM 1108 N ASP A 91 -9.979 -2.487 0.695 1.00 0.00 N ATOM 1109 CA ASP A 91 -9.656 -1.940 -0.649 1.00 0.00 C ATOM 1110 C ASP A 91 -8.481 -2.682 -1.301 1.00 0.00 C ATOM 1111 O ASP A 91 -7.654 -3.304 -0.613 1.00 0.00 O ATOM 1112 CB ASP A 91 -9.402 -0.405 -0.610 1.00 0.00 C ATOM 1113 CG ASP A 91 -10.713 0.403 -0.631 1.00 0.00 C ATOM 1114 OD1 ASP A 91 -11.391 0.418 -1.678 1.00 0.00 O ATOM 1115 OD2 ASP A 91 -11.084 1.009 0.374 1.00 0.00 O ATOM 0 H ASP A 91 -9.896 -1.808 1.452 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.535 -2.107 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.837 -0.155 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.787 -0.119 -1.463 1.00 0.00 H new ATOM 1120 N LEU A 92 -8.378 -2.554 -2.637 1.00 0.00 N ATOM 1121 CA LEU A 92 -7.559 -3.444 -3.456 1.00 0.00 C ATOM 1122 C LEU A 92 -6.579 -2.580 -4.262 1.00 0.00 C ATOM 1123 O LEU A 92 -6.984 -1.850 -5.172 1.00 0.00 O ATOM 1124 CB LEU A 92 -8.457 -4.291 -4.411 1.00 0.00 C ATOM 1125 CG LEU A 92 -7.813 -5.606 -4.950 1.00 0.00 C ATOM 1126 CD1 LEU A 92 -7.629 -6.620 -3.797 1.00 0.00 C ATOM 1127 CD2 LEU A 92 -8.635 -6.208 -6.122 1.00 0.00 C ATOM 0 H LEU A 92 -8.861 -1.831 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.010 -4.138 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.376 -4.547 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.739 -3.670 -5.261 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.829 -5.366 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.179 -7.534 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.979 -6.190 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.599 -6.852 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.155 -7.123 -6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.644 -6.435 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.683 -5.489 -6.940 1.00 0.00 H new ATOM 1139 N ILE A 93 -5.304 -2.644 -3.892 1.00 0.00 N ATOM 1140 CA ILE A 93 -4.231 -1.912 -4.575 1.00 0.00 C ATOM 1141 C ILE A 93 -3.689 -2.781 -5.721 1.00 0.00 C ATOM 1142 O ILE A 93 -3.713 -4.015 -5.643 1.00 0.00 O ATOM 1143 CB ILE A 93 -3.107 -1.497 -3.555 1.00 0.00 C ATOM 1144 CG1 ILE A 93 -3.752 -0.711 -2.365 1.00 0.00 C ATOM 1145 CG2 ILE A 93 -1.990 -0.657 -4.233 1.00 0.00 C ATOM 1146 CD1 ILE A 93 -2.793 -0.300 -1.271 1.00 0.00 C ATOM 0 H ILE A 93 -4.979 -3.207 -3.106 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.619 -0.987 -5.000 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.633 -2.403 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.233 0.184 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.537 -1.327 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.235 -0.392 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.529 -1.241 -5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.422 0.252 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.336 0.238 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.329 -1.188 -0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.021 0.347 -1.688 1.00 0.00 H new ATOM 1158 N GLU A 94 -3.206 -2.128 -6.779 1.00 0.00 N ATOM 1159 CA GLU A 94 -2.818 -2.762 -8.036 1.00 0.00 C ATOM 1160 C GLU A 94 -1.300 -2.643 -8.183 1.00 0.00 C ATOM 1161 O GLU A 94 -0.688 -1.730 -7.617 1.00 0.00 O ATOM 1162 CB GLU A 94 -3.514 -2.053 -9.221 1.00 0.00 C ATOM 1163 CG GLU A 94 -5.055 -2.031 -9.153 1.00 0.00 C ATOM 1164 CD GLU A 94 -5.691 -1.120 -10.219 1.00 0.00 C ATOM 1165 OE1 GLU A 94 -5.502 -1.388 -11.425 1.00 0.00 O ATOM 1166 OE2 GLU A 94 -6.390 -0.145 -9.859 1.00 0.00 O ATOM 0 H GLU A 94 -3.071 -1.117 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.117 -3.810 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.153 -1.026 -9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.213 -2.544 -10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.433 -3.046 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.365 -1.694 -8.164 1.00 0.00 H new ATOM 1173 N VAL A 95 -0.708 -3.559 -8.954 1.00 0.00 N ATOM 1174 CA VAL A 95 0.732 -3.574 -9.245 1.00 0.00 C ATOM 1175 C VAL A 95 0.933 -3.855 -10.745 1.00 0.00 C ATOM 1176 O VAL A 95 0.703 -4.965 -11.229 1.00 0.00 O ATOM 1177 CB VAL A 95 1.514 -4.611 -8.350 1.00 0.00 C ATOM 1178 CG1 VAL A 95 2.946 -4.856 -8.870 1.00 0.00 C ATOM 1179 CG2 VAL A 95 1.538 -4.151 -6.873 1.00 0.00 C ATOM 0 H VAL A 95 -1.219 -4.321 -9.400 1.00 0.00 H new ATOM 0 HA VAL A 95 1.148 -2.597 -8.999 1.00 0.00 H new ATOM 0 HB VAL A 95 0.980 -5.560 -8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.449 -5.576 -8.225 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.902 -5.248 -9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.500 -3.917 -8.867 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.082 -4.881 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.032 -3.182 -6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.517 -4.066 -6.502 1.00 0.00 H new ATOM 1189 N TRP A 96 1.333 -2.815 -11.472 1.00 0.00 N ATOM 1190 CA TRP A 96 1.537 -2.854 -12.917 1.00 0.00 C ATOM 1191 C TRP A 96 3.050 -2.960 -13.162 1.00 0.00 C ATOM 1192 O TRP A 96 3.769 -1.967 -13.072 1.00 0.00 O ATOM 1193 CB TRP A 96 0.923 -1.576 -13.568 1.00 0.00 C ATOM 1194 CG TRP A 96 -0.595 -1.449 -13.436 1.00 0.00 C ATOM 1195 CD1 TRP A 96 -1.370 -1.733 -12.338 1.00 0.00 C ATOM 1196 CD2 TRP A 96 -1.513 -0.972 -14.435 1.00 0.00 C ATOM 1197 NE1 TRP A 96 -2.689 -1.476 -12.601 1.00 0.00 N ATOM 1198 CE2 TRP A 96 -2.806 -1.010 -13.877 1.00 0.00 C ATOM 1199 CE3 TRP A 96 -1.362 -0.519 -15.744 1.00 0.00 C ATOM 1200 CZ2 TRP A 96 -3.937 -0.615 -14.584 1.00 0.00 C ATOM 1201 CZ3 TRP A 96 -2.485 -0.127 -16.449 1.00 0.00 C ATOM 1202 CH2 TRP A 96 -3.760 -0.176 -15.868 1.00 0.00 C ATOM 0 H TRP A 96 1.529 -1.901 -11.063 1.00 0.00 H new ATOM 0 HA TRP A 96 1.039 -3.710 -13.372 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.386 -0.698 -13.117 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.183 -1.565 -14.627 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.992 -2.107 -11.398 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -3.460 -1.611 -11.947 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.384 -0.475 -16.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -4.919 -0.653 -14.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.378 0.223 -17.465 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -4.618 0.138 -16.444 1.00 0.00 H new ATOM 1213 N GLY A 97 3.518 -4.193 -13.391 1.00 0.00 N ATOM 1214 CA GLY A 97 4.942 -4.495 -13.576 1.00 0.00 C ATOM 1215 C GLY A 97 5.134 -5.725 -14.463 1.00 0.00 C ATOM 1216 O GLY A 97 4.332 -5.905 -15.404 1.00 0.00 O ATOM 1217 OXT GLY A 97 6.050 -6.539 -14.214 1.00 0.00 O ATOM 0 H GLY A 97 2.916 -5.014 -13.453 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.443 -3.637 -14.025 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.410 -4.666 -12.606 1.00 0.00 H new TER 1221 GLY A 97