USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1060 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 99 THR OG1 : rot 125:sc= 0.124 USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0.119 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 86 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 42 ASN : amide:sc= -2.7! C(o=-8!,f=-11!) USER MOD Set 3.2: A 82 ASN : amide:sc= -5.32! C(o=-8!,f=-13!) USER MOD Set 4.1: A 12 LYS NZ :NH3+ -158:sc= -2.3! (180deg=-2.95!) USER MOD Set 4.2: A 16 SER OG : rot -38:sc= 0.409 USER MOD Set 4.3: A 19 ASN : amide:sc= 0.0653 K(o=-1.8,f=-3.3) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0643 USER MOD Single : A 7 GLN : amide:sc= -2.46! C(o=-2.5!,f=-2.9!) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.1) USER MOD Single : A 22 ASN : amide:sc= -2.47 X(o=-2.5,f=-3) USER MOD Single : A 23 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-11!) USER MOD Single : A 25 CYS SG : rot -22:sc= -0.759 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.293 USER MOD Single : A 48 SER OG : rot -45:sc= 0.788 USER MOD Single : A 49 CYS SG : rot 120:sc= -1.2 USER MOD Single : A 52 TYR OH : rot 16:sc= 0.165 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= -2.38! (180deg=-2.38!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0744 USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= -4! (180deg=-6.05!) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= -0.0643 (180deg=-0.522) USER MOD Single : A 67 LYS NZ :NH3+ -143:sc= -0.063 (180deg=-0.788) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.0486 USER MOD Single : A 70 ASN : amide:sc= -2.48! C(o=-2.5!,f=-4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0656 USER MOD Single : A 76 GLN : amide:sc=-0.00711 K(o=-0.0071,f=-1.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 136:sc= 1.1 (180deg=-0.361) USER MOD Single : A 87 THR OG1 : rot 163:sc= -0.429 USER MOD Single : A 91 THR OG1 : rot 69:sc= 0.399 USER MOD Single : A 92 SER OG : rot -54:sc= 0.625 USER MOD Single : A 94 ASN : amide:sc= -1.39 K(o=-1.4,f=-5.1!) USER MOD Single : A 95 MET CE :methyl -168:sc= -1.53 (180deg=-2.16) USER MOD Single : A 102 CYS SG : rot -104:sc= -0.688 USER MOD Single : A 107 GLN : amide:sc= -1.85 X(o=-1.9,f=-1.6) USER MOD Single : A 108 LYS NZ :NH3+ -135:sc= -3.35 (180deg=-7.64!) USER MOD Single : A 109 LYS NZ :NH3+ 167:sc= 0.836 (180deg=0.677) USER MOD Single : A 112 ASN : amide:sc= -0.831 K(o=-0.83,f=-1.9!) USER MOD Single : A 114 MET CE :methyl 143:sc= -3.1 (180deg=-6.11!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -49:sc= -0.456 USER MOD Single : A 119 TYR OH : rot 41:sc= -2.74! USER MOD Single : A 124 LYS NZ :NH3+ -172:sc= -5.39! (180deg=-6.18!) USER MOD Single : A 125 SER OG : rot -40:sc= 0.609 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -172:sc= -2.23! USER MOD Single : A 133 ASN : amide:sc= -2.26! X(o=-2.3!,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -7.797 2.341 -14.158 1.00 17.32 N ATOM 2 CA VAL A 5 -8.485 1.676 -13.010 1.00 16.53 C ATOM 3 C VAL A 5 -9.969 2.046 -13.014 1.00 15.62 C ATOM 4 O VAL A 5 -10.339 3.175 -13.268 1.00 15.21 O ATOM 5 CB VAL A 5 -7.828 2.139 -11.708 1.00 17.91 C ATOM 6 CG1 VAL A 5 -8.157 3.609 -11.431 1.00 18.70 C ATOM 7 CG2 VAL A 5 -8.320 1.270 -10.547 1.00 17.86 C ATOM 0 HA VAL A 5 -8.397 0.593 -13.098 1.00 16.53 H new ATOM 0 HB VAL A 5 -6.747 2.039 -11.807 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -7.681 3.919 -10.501 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -7.788 4.225 -12.251 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -9.237 3.730 -11.344 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -7.851 1.601 -9.620 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -9.403 1.360 -10.458 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -8.057 0.229 -10.735 1.00 17.86 H new ATOM 17 N SER A 6 -10.822 1.103 -12.727 1.00 15.43 N ATOM 18 CA SER A 6 -12.282 1.397 -12.705 1.00 14.66 C ATOM 19 C SER A 6 -12.630 2.138 -11.415 1.00 13.40 C ATOM 20 O SER A 6 -11.890 2.109 -10.452 1.00 12.58 O ATOM 21 CB SER A 6 -13.067 0.086 -12.767 1.00 15.49 C ATOM 22 OG SER A 6 -12.845 -0.653 -11.573 1.00 15.97 O ATOM 0 H SER A 6 -10.571 0.139 -12.506 1.00 15.43 H new ATOM 0 HA SER A 6 -12.542 2.017 -13.563 1.00 14.66 H new ATOM 0 HB2 SER A 6 -14.131 0.291 -12.888 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.754 -0.498 -13.633 1.00 15.49 H new ATOM 0 HG SER A 6 -13.349 -1.493 -11.610 1.00 15.97 H new ATOM 28 N GLN A 7 -13.753 2.799 -11.383 1.00 13.37 N ATOM 29 CA GLN A 7 -14.151 3.536 -10.154 1.00 12.23 C ATOM 30 C GLN A 7 -14.511 2.535 -9.048 1.00 11.36 C ATOM 31 O GLN A 7 -14.458 2.840 -7.874 1.00 10.97 O ATOM 32 CB GLN A 7 -15.357 4.428 -10.459 1.00 13.19 C ATOM 33 CG GLN A 7 -14.920 5.592 -11.354 1.00 13.36 C ATOM 34 CD GLN A 7 -14.565 5.063 -12.744 1.00 13.61 C ATOM 35 OE1 GLN A 7 -13.405 4.894 -13.063 1.00 13.82 O ATOM 36 NE2 GLN A 7 -15.519 4.794 -13.590 1.00 13.77 N ATOM 0 H GLN A 7 -14.414 2.860 -12.158 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.321 4.158 -9.819 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.136 3.848 -10.954 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -15.784 4.809 -9.532 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.720 6.328 -11.427 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -14.060 6.098 -10.916 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.493 4.936 -13.322 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -15.292 4.442 -14.520 1.00 13.77 H new ATOM 45 N GLU A 8 -14.895 1.346 -9.420 1.00 13.01 N ATOM 46 CA GLU A 8 -15.277 0.322 -8.402 1.00 12.24 C ATOM 47 C GLU A 8 -14.049 -0.135 -7.596 1.00 11.73 C ATOM 48 O GLU A 8 -14.131 -0.362 -6.405 1.00 11.71 O ATOM 49 CB GLU A 8 -15.890 -0.887 -9.112 1.00 13.27 C ATOM 50 CG GLU A 8 -17.247 -0.500 -9.709 1.00 13.55 C ATOM 51 CD GLU A 8 -17.818 -1.680 -10.499 1.00 14.55 C ATOM 52 OE1 GLU A 8 -18.425 -2.541 -9.884 1.00 15.06 O ATOM 53 OE2 GLU A 8 -17.638 -1.701 -11.706 1.00 14.92 O ATOM 0 H GLU A 8 -14.962 1.036 -10.389 1.00 13.01 H new ATOM 0 HA GLU A 8 -15.998 0.765 -7.716 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.222 -1.236 -9.899 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.013 -1.711 -8.409 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.936 -0.214 -8.915 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.135 0.366 -10.361 1.00 13.55 H new ATOM 60 N GLU A 9 -12.922 -0.308 -8.238 1.00 11.46 N ATOM 61 CA GLU A 9 -11.708 -0.790 -7.508 1.00 11.12 C ATOM 62 C GLU A 9 -11.136 0.304 -6.602 1.00 10.28 C ATOM 63 O GLU A 9 -10.779 0.055 -5.469 1.00 10.32 O ATOM 64 CB GLU A 9 -10.644 -1.206 -8.521 1.00 12.40 C ATOM 65 CG GLU A 9 -11.145 -2.401 -9.327 1.00 13.24 C ATOM 66 CD GLU A 9 -11.228 -3.634 -8.429 1.00 14.08 C ATOM 67 OE1 GLU A 9 -10.665 -3.592 -7.347 1.00 14.26 O ATOM 68 OE2 GLU A 9 -11.855 -4.598 -8.836 1.00 14.68 O ATOM 0 H GLU A 9 -12.789 -0.137 -9.235 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.996 -1.638 -6.887 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.417 -0.374 -9.188 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.718 -1.464 -8.006 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -12.125 -2.181 -9.749 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -10.474 -2.594 -10.164 1.00 13.24 H new ATOM 75 N VAL A 10 -11.040 1.509 -7.077 1.00 9.75 N ATOM 76 CA VAL A 10 -10.485 2.590 -6.214 1.00 9.10 C ATOM 77 C VAL A 10 -11.361 2.725 -4.970 1.00 7.91 C ATOM 78 O VAL A 10 -10.879 2.950 -3.879 1.00 7.70 O ATOM 79 CB VAL A 10 -10.463 3.913 -6.979 1.00 10.81 C ATOM 80 CG1 VAL A 10 -9.440 3.829 -8.113 1.00 11.69 C ATOM 81 CG2 VAL A 10 -11.846 4.183 -7.564 1.00 11.17 C ATOM 0 H VAL A 10 -11.318 1.795 -8.016 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.465 2.340 -5.924 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.189 4.721 -6.301 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -9.424 4.772 -8.659 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.451 3.633 -7.698 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -9.715 3.022 -8.792 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -11.832 5.126 -8.110 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.118 3.375 -8.243 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.577 4.241 -6.758 1.00 11.17 H new ATOM 91 N LYS A 11 -12.646 2.572 -5.124 1.00 7.38 N ATOM 92 CA LYS A 11 -13.553 2.671 -3.948 1.00 6.32 C ATOM 93 C LYS A 11 -13.164 1.604 -2.933 1.00 5.68 C ATOM 94 O LYS A 11 -13.228 1.818 -1.740 1.00 5.93 O ATOM 95 CB LYS A 11 -15.008 2.478 -4.397 1.00 8.26 C ATOM 96 CG LYS A 11 -15.480 3.710 -5.196 1.00 8.64 C ATOM 97 CD LYS A 11 -16.001 4.794 -4.236 1.00 9.23 C ATOM 98 CE LYS A 11 -15.998 6.155 -4.933 1.00 9.91 C ATOM 99 NZ LYS A 11 -16.871 6.102 -6.141 1.00 10.51 N ATOM 0 H LYS A 11 -13.107 2.383 -6.014 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.461 3.655 -3.489 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.092 1.582 -5.011 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.649 2.330 -3.528 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -14.656 4.105 -5.791 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -16.267 3.422 -5.893 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.011 4.546 -3.908 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -15.376 4.832 -3.344 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -16.353 6.926 -4.249 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -14.982 6.426 -5.218 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -17.059 7.068 -6.476 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -16.394 5.562 -6.891 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -17.770 5.638 -5.900 1.00 10.51 H new ATOM 113 N LYS A 12 -12.741 0.460 -3.384 1.00 5.08 N ATOM 114 CA LYS A 12 -12.334 -0.589 -2.418 1.00 4.72 C ATOM 115 C LYS A 12 -11.169 -0.032 -1.612 1.00 4.34 C ATOM 116 O LYS A 12 -11.089 -0.204 -0.414 1.00 4.65 O ATOM 117 CB LYS A 12 -11.898 -1.850 -3.162 1.00 6.91 C ATOM 118 CG LYS A 12 -13.111 -2.453 -3.866 1.00 7.86 C ATOM 119 CD LYS A 12 -12.691 -3.701 -4.650 1.00 8.86 C ATOM 120 CE LYS A 12 -12.157 -4.776 -3.689 1.00 9.89 C ATOM 121 NZ LYS A 12 -10.687 -4.599 -3.525 1.00 10.82 N ATOM 0 H LYS A 12 -12.660 0.208 -4.369 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.166 -0.855 -1.766 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.122 -1.610 -3.888 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.470 -2.570 -2.465 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.876 -2.713 -3.134 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.552 -1.720 -4.541 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -13.541 -4.092 -5.209 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -11.924 -3.441 -5.379 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -12.655 -4.697 -2.723 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -12.374 -5.770 -4.079 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -10.263 -5.493 -3.204 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -10.267 -4.324 -4.436 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -10.503 -3.857 -2.820 1.00 10.82 H new ATOM 135 N TRP A 13 -10.275 0.668 -2.256 1.00 4.15 N ATOM 136 CA TRP A 13 -9.145 1.260 -1.506 1.00 3.58 C ATOM 137 C TRP A 13 -9.731 2.161 -0.425 1.00 2.38 C ATOM 138 O TRP A 13 -9.078 2.497 0.530 1.00 2.83 O ATOM 139 CB TRP A 13 -8.266 2.102 -2.432 1.00 4.70 C ATOM 140 CG TRP A 13 -7.833 1.300 -3.625 1.00 4.98 C ATOM 141 CD1 TRP A 13 -7.976 -0.040 -3.770 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.186 1.772 -4.841 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.464 -0.415 -4.999 1.00 5.86 N ATOM 144 CE2 TRP A 13 -6.964 0.666 -5.694 1.00 5.70 C ATOM 145 CE3 TRP A 13 -6.776 3.043 -5.285 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.356 0.813 -6.939 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.163 3.195 -6.540 1.00 5.91 C ATOM 148 CH2 TRP A 13 -5.954 2.080 -7.365 1.00 6.26 C ATOM 0 H TRP A 13 -10.282 0.851 -3.259 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.533 0.468 -1.075 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -8.815 2.984 -2.760 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.390 2.456 -1.888 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.418 -0.706 -3.044 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.457 -1.373 -5.348 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -6.934 3.907 -4.657 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.197 -0.048 -7.571 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -5.851 4.175 -6.871 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.482 2.202 -8.329 1.00 6.26 H new ATOM 159 N ALA A 14 -10.969 2.551 -0.573 1.00 0.01 N ATOM 160 CA ALA A 14 -11.606 3.424 0.456 1.00 0.01 C ATOM 161 C ALA A 14 -12.129 2.542 1.595 1.00 0.01 C ATOM 162 O ALA A 14 -12.547 3.025 2.628 1.00 0.01 O ATOM 163 CB ALA A 14 -12.774 4.196 -0.172 1.00 0.00 C ATOM 0 H ALA A 14 -11.567 2.303 -1.362 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.875 4.135 0.841 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -13.237 4.832 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.404 4.814 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.512 3.491 -0.555 1.00 0.00 H new ATOM 169 N GLU A 15 -12.121 1.250 1.400 1.00 0.01 N ATOM 170 CA GLU A 15 -12.630 0.326 2.460 1.00 0.01 C ATOM 171 C GLU A 15 -11.519 -0.001 3.465 1.00 0.01 C ATOM 172 O GLU A 15 -11.756 -0.080 4.654 1.00 0.01 O ATOM 173 CB GLU A 15 -13.116 -0.974 1.813 1.00 0.01 C ATOM 174 CG GLU A 15 -14.373 -0.697 0.985 1.00 0.01 C ATOM 175 CD GLU A 15 -14.832 -1.990 0.305 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.145 -2.988 0.450 1.00 0.01 O ATOM 177 OE2 GLU A 15 -15.863 -1.961 -0.347 1.00 0.01 O ATOM 0 H GLU A 15 -11.784 0.793 0.553 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.452 0.815 2.983 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.334 -1.390 1.178 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.331 -1.716 2.582 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.165 -0.309 1.626 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.167 0.067 0.236 1.00 0.01 H new ATOM 184 N SER A 16 -10.312 -0.205 3.008 1.00 0.01 N ATOM 185 CA SER A 16 -9.210 -0.538 3.958 1.00 0.01 C ATOM 186 C SER A 16 -7.866 -0.521 3.236 1.00 0.00 C ATOM 187 O SER A 16 -7.792 -0.605 2.027 1.00 0.00 O ATOM 188 CB SER A 16 -9.445 -1.932 4.544 1.00 0.01 C ATOM 189 OG SER A 16 -9.596 -2.865 3.486 1.00 0.01 O ATOM 0 H SER A 16 -10.042 -0.156 2.025 1.00 0.01 H new ATOM 0 HA SER A 16 -9.198 0.205 4.756 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.607 -2.218 5.180 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.336 -1.930 5.172 1.00 0.01 H new ATOM 0 HG SER A 16 -10.097 -2.450 2.753 1.00 0.01 H new ATOM 195 N LEU A 17 -6.802 -0.399 3.979 1.00 0.00 N ATOM 196 CA LEU A 17 -5.450 -0.362 3.361 1.00 0.00 C ATOM 197 C LEU A 17 -5.216 -1.658 2.593 1.00 0.01 C ATOM 198 O LEU A 17 -4.640 -1.670 1.525 1.00 0.00 O ATOM 199 CB LEU A 17 -4.400 -0.231 4.462 1.00 0.01 C ATOM 200 CG LEU A 17 -3.039 0.139 3.853 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.036 1.615 3.393 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.929 -0.103 4.901 1.00 0.00 C ATOM 0 H LEU A 17 -6.813 -0.323 4.996 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.377 0.486 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.706 0.532 5.178 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.318 -1.169 5.011 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.853 -0.487 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.064 1.860 2.964 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.812 1.764 2.642 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.229 2.263 4.248 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.961 0.158 4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.116 0.515 5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.926 -1.154 5.191 1.00 0.00 H new ATOM 214 N GLU A 18 -5.657 -2.752 3.144 1.00 0.01 N ATOM 215 CA GLU A 18 -5.460 -4.057 2.468 1.00 0.00 C ATOM 216 C GLU A 18 -5.988 -3.980 1.036 1.00 0.00 C ATOM 217 O GLU A 18 -5.384 -4.502 0.120 1.00 0.01 O ATOM 218 CB GLU A 18 -6.227 -5.133 3.240 1.00 0.01 C ATOM 219 CG GLU A 18 -5.537 -5.398 4.581 1.00 0.01 C ATOM 220 CD GLU A 18 -6.333 -6.440 5.369 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.311 -6.935 4.837 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.949 -6.726 6.492 1.00 0.01 O ATOM 0 H GLU A 18 -6.147 -2.796 4.037 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.399 -4.303 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.255 -4.811 3.407 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.271 -6.052 2.655 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.520 -5.752 4.415 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.463 -4.473 5.153 1.00 0.01 H new ATOM 229 N ASN A 19 -7.098 -3.331 0.822 1.00 0.01 N ATOM 230 CA ASN A 19 -7.631 -3.232 -0.563 1.00 0.00 C ATOM 231 C ASN A 19 -6.634 -2.460 -1.433 1.00 0.00 C ATOM 232 O ASN A 19 -6.300 -2.875 -2.526 1.00 0.01 O ATOM 233 CB ASN A 19 -8.976 -2.506 -0.544 1.00 0.01 C ATOM 234 CG ASN A 19 -10.033 -3.416 0.081 1.00 0.01 C ATOM 235 OD1 ASN A 19 -10.681 -3.048 1.040 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.234 -4.601 -0.429 1.00 0.01 N ATOM 0 H ASN A 19 -7.655 -2.868 1.541 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.773 -4.231 -0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.894 -1.580 0.025 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.269 -2.232 -1.558 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -10.936 -5.219 -0.022 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -9.689 -4.909 -1.234 1.00 0.01 H new ATOM 243 N LEU A 20 -6.141 -1.349 -0.951 1.00 0.00 N ATOM 244 CA LEU A 20 -5.154 -0.569 -1.748 1.00 0.01 C ATOM 245 C LEU A 20 -3.924 -1.441 -2.020 1.00 0.01 C ATOM 246 O LEU A 20 -3.387 -1.457 -3.109 1.00 0.00 O ATOM 247 CB LEU A 20 -4.741 0.676 -0.947 1.00 0.00 C ATOM 248 CG LEU A 20 -3.705 1.511 -1.720 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.300 2.039 -3.034 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.270 2.690 -0.843 1.00 0.01 C ATOM 0 H LEU A 20 -6.379 -0.951 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.595 -0.264 -2.697 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.620 1.285 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.325 0.373 0.014 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.848 0.882 -1.962 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.550 2.626 -3.563 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.609 1.199 -3.657 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.164 2.666 -2.816 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.535 3.291 -1.379 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.137 3.306 -0.605 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.828 2.314 0.079 1.00 0.01 H new ATOM 262 N ILE A 21 -3.469 -2.154 -1.029 1.00 0.01 N ATOM 263 CA ILE A 21 -2.266 -3.017 -1.208 1.00 0.00 C ATOM 264 C ILE A 21 -2.631 -4.327 -1.923 1.00 0.00 C ATOM 265 O ILE A 21 -1.790 -4.953 -2.538 1.00 0.00 O ATOM 266 CB ILE A 21 -1.667 -3.335 0.164 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.260 -2.028 0.852 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.438 -4.230 -0.004 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.877 -2.304 2.307 1.00 0.01 C ATOM 0 H ILE A 21 -3.881 -2.177 -0.096 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.540 -2.482 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.407 -3.855 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.420 -1.576 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.083 -1.314 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.014 -4.454 0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.729 -5.159 -0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.306 -3.716 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.589 -1.371 2.791 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.729 -2.736 2.832 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.040 -3.002 2.337 1.00 0.01 H new ATOM 281 N ASN A 22 -3.859 -4.770 -1.826 1.00 0.00 N ATOM 282 CA ASN A 22 -4.238 -6.066 -2.481 1.00 0.01 C ATOM 283 C ASN A 22 -4.743 -5.855 -3.916 1.00 0.01 C ATOM 284 O ASN A 22 -5.035 -6.813 -4.605 1.00 0.01 O ATOM 285 CB ASN A 22 -5.343 -6.742 -1.667 1.00 0.01 C ATOM 286 CG ASN A 22 -4.788 -7.176 -0.310 1.00 0.01 C ATOM 287 OD1 ASN A 22 -5.462 -7.071 0.696 1.00 0.01 O ATOM 288 ND2 ASN A 22 -3.581 -7.666 -0.237 1.00 0.01 N ATOM 0 H ASN A 22 -4.612 -4.297 -1.327 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.346 -6.691 -2.519 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.178 -6.055 -1.527 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.729 -7.607 -2.207 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -3.204 -7.961 0.664 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -3.015 -7.755 -1.081 1.00 0.01 H new ATOM 295 N HIS A 23 -4.854 -4.636 -4.387 1.00 0.01 N ATOM 296 CA HIS A 23 -5.352 -4.428 -5.791 1.00 0.01 C ATOM 297 C HIS A 23 -4.168 -4.285 -6.752 1.00 0.01 C ATOM 298 O HIS A 23 -3.164 -3.681 -6.433 1.00 0.01 O ATOM 299 CB HIS A 23 -6.218 -3.169 -5.872 1.00 0.00 C ATOM 300 CG HIS A 23 -6.932 -3.161 -7.198 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.529 -2.363 -8.261 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.006 -3.880 -7.660 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.351 -2.622 -9.297 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.269 -3.539 -8.982 1.00 0.01 N ATOM 0 H HIS A 23 -4.626 -3.786 -3.872 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.951 -5.294 -6.073 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.939 -3.152 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.600 -2.277 -5.770 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.564 -4.603 -7.083 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.276 -2.146 -10.264 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.005 -3.910 -9.583 1.00 0.01 H new ATOM 312 N GLU A 24 -4.283 -4.848 -7.928 1.00 0.01 N ATOM 313 CA GLU A 24 -3.168 -4.760 -8.918 1.00 0.01 C ATOM 314 C GLU A 24 -2.878 -3.294 -9.251 1.00 0.01 C ATOM 315 O GLU A 24 -1.735 -2.895 -9.376 1.00 0.01 O ATOM 316 CB GLU A 24 -3.563 -5.516 -10.194 1.00 0.01 C ATOM 317 CG GLU A 24 -2.418 -5.473 -11.219 1.00 0.01 C ATOM 318 CD GLU A 24 -1.224 -6.273 -10.692 1.00 0.01 C ATOM 319 OE1 GLU A 24 -1.398 -6.991 -9.720 1.00 0.01 O ATOM 320 OE2 GLU A 24 -0.156 -6.160 -11.271 1.00 0.00 O ATOM 0 H GLU A 24 -5.103 -5.366 -8.245 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.270 -5.208 -8.492 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.804 -6.551 -9.951 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.461 -5.072 -10.624 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.753 -5.886 -12.171 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -2.123 -4.441 -11.406 1.00 0.01 H new ATOM 327 N CYS A 25 -3.889 -2.473 -9.393 1.00 0.01 N ATOM 328 CA CYS A 25 -3.622 -1.041 -9.717 1.00 0.01 C ATOM 329 C CYS A 25 -3.341 -0.298 -8.419 1.00 0.01 C ATOM 330 O CYS A 25 -2.634 0.688 -8.400 1.00 0.00 O ATOM 331 CB CYS A 25 -4.825 -0.403 -10.414 1.00 0.01 C ATOM 332 SG CYS A 25 -4.473 1.351 -10.679 1.00 0.00 S ATOM 0 H CYS A 25 -4.872 -2.728 -9.300 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.767 -0.982 -10.390 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.018 -0.898 -11.366 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.722 -0.521 -9.806 1.00 0.01 H new ATOM 0 HG CYS A 25 -3.557 1.741 -9.843 1.00 0.00 H new ATOM 338 N GLY A 26 -3.859 -0.779 -7.323 1.00 0.01 N ATOM 339 CA GLY A 26 -3.578 -0.103 -6.030 1.00 0.01 C ATOM 340 C GLY A 26 -2.069 -0.135 -5.825 1.00 0.01 C ATOM 341 O GLY A 26 -1.448 0.868 -5.550 1.00 0.01 O ATOM 0 H GLY A 26 -4.458 -1.602 -7.268 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.943 0.924 -6.045 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.089 -0.610 -5.211 1.00 0.01 H new ATOM 345 N LEU A 27 -1.474 -1.285 -5.985 1.00 0.01 N ATOM 346 CA LEU A 27 0.001 -1.387 -5.837 1.00 0.00 C ATOM 347 C LEU A 27 0.664 -0.470 -6.862 1.00 0.00 C ATOM 348 O LEU A 27 1.526 0.318 -6.539 1.00 0.00 O ATOM 349 CB LEU A 27 0.445 -2.830 -6.089 1.00 0.00 C ATOM 350 CG LEU A 27 -0.024 -3.738 -4.942 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.147 -5.201 -5.359 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.808 -3.475 -3.669 1.00 0.01 C ATOM 0 H LEU A 27 -1.949 -2.159 -6.212 1.00 0.01 H new ATOM 0 HA LEU A 27 0.290 -1.092 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.034 -3.185 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.531 -2.874 -6.177 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.072 -3.525 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.184 -5.851 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.450 -5.398 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.197 -5.397 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.462 -4.127 -2.867 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.859 -3.678 -3.873 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.691 -2.434 -3.367 1.00 0.01 H new ATOM 364 N ALA A 28 0.264 -0.562 -8.101 1.00 0.00 N ATOM 365 CA ALA A 28 0.883 0.308 -9.136 1.00 0.00 C ATOM 366 C ALA A 28 0.648 1.765 -8.756 1.00 0.01 C ATOM 367 O ALA A 28 1.555 2.573 -8.765 1.00 0.00 O ATOM 368 CB ALA A 28 0.243 0.021 -10.496 1.00 0.00 C ATOM 0 H ALA A 28 -0.459 -1.197 -8.438 1.00 0.00 H new ATOM 0 HA ALA A 28 1.953 0.109 -9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.697 0.659 -11.254 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.402 -1.025 -10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.827 0.224 -10.445 1.00 0.00 H new ATOM 374 N ALA A 29 -0.556 2.103 -8.408 1.00 0.00 N ATOM 375 CA ALA A 29 -0.842 3.506 -8.010 1.00 0.01 C ATOM 376 C ALA A 29 -0.126 3.806 -6.692 1.00 0.00 C ATOM 377 O ALA A 29 0.474 4.849 -6.521 1.00 0.00 O ATOM 378 CB ALA A 29 -2.351 3.681 -7.820 1.00 0.01 C ATOM 0 H ALA A 29 -1.356 1.470 -8.381 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.492 4.189 -8.784 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.564 4.709 -7.528 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.864 3.456 -8.755 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.701 3.003 -7.042 1.00 0.01 H new ATOM 384 N PHE A 30 -0.193 2.900 -5.755 1.00 0.00 N ATOM 385 CA PHE A 30 0.477 3.131 -4.449 1.00 0.00 C ATOM 386 C PHE A 30 1.976 3.320 -4.664 1.00 0.00 C ATOM 387 O PHE A 30 2.566 4.252 -4.160 1.00 0.00 O ATOM 388 CB PHE A 30 0.226 1.949 -3.508 1.00 0.00 C ATOM 389 CG PHE A 30 0.809 2.268 -2.149 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.296 3.338 -1.403 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.869 1.509 -1.638 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.843 3.649 -0.155 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.411 1.819 -0.386 1.00 0.00 C ATOM 394 CZ PHE A 30 1.899 2.891 0.354 1.00 0.00 C ATOM 0 H PHE A 30 -0.684 2.010 -5.840 1.00 0.00 H new ATOM 0 HA PHE A 30 0.065 4.032 -3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.843 1.756 -3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.682 1.044 -3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.523 3.923 -1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.268 0.685 -2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.448 4.476 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.225 1.230 0.010 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.321 3.132 1.319 1.00 0.00 H new ATOM 404 N LYS A 31 2.602 2.455 -5.416 1.00 0.00 N ATOM 405 CA LYS A 31 4.065 2.612 -5.650 1.00 0.00 C ATOM 406 C LYS A 31 4.318 3.995 -6.250 1.00 0.00 C ATOM 407 O LYS A 31 5.251 4.685 -5.877 1.00 0.00 O ATOM 408 CB LYS A 31 4.544 1.516 -6.606 1.00 0.00 C ATOM 409 CG LYS A 31 4.545 0.171 -5.872 1.00 0.00 C ATOM 410 CD LYS A 31 4.993 -0.940 -6.826 1.00 0.00 C ATOM 411 CE LYS A 31 4.992 -2.280 -6.084 1.00 0.01 C ATOM 412 NZ LYS A 31 5.020 -3.398 -7.069 1.00 0.00 N ATOM 0 H LYS A 31 2.168 1.654 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 31 4.614 2.521 -4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.892 1.467 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.546 1.746 -6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.213 0.216 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.548 -0.046 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.325 -0.987 -7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.990 -0.725 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.857 -2.342 -5.424 1.00 0.01 H new ATOM 0 HE3 LYS A 31 4.105 -2.358 -5.455 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 5.019 -4.307 -6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.181 -3.342 -7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.879 -3.327 -7.651 1.00 0.00 H new ATOM 426 N ALA A 32 3.472 4.432 -7.141 1.00 0.00 N ATOM 427 CA ALA A 32 3.653 5.790 -7.715 1.00 0.00 C ATOM 428 C ALA A 32 3.448 6.797 -6.588 1.00 0.01 C ATOM 429 O ALA A 32 4.202 7.735 -6.427 1.00 0.00 O ATOM 430 CB ALA A 32 2.612 6.030 -8.814 1.00 0.00 C ATOM 0 H ALA A 32 2.669 3.910 -7.493 1.00 0.00 H new ATOM 0 HA ALA A 32 4.647 5.894 -8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.748 7.027 -9.233 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.736 5.286 -9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.611 5.948 -8.391 1.00 0.00 H new ATOM 436 N PHE A 33 2.435 6.590 -5.792 1.00 0.00 N ATOM 437 CA PHE A 33 2.177 7.511 -4.654 1.00 0.00 C ATOM 438 C PHE A 33 3.378 7.526 -3.708 1.00 0.00 C ATOM 439 O PHE A 33 3.758 8.556 -3.200 1.00 0.00 O ATOM 440 CB PHE A 33 0.937 7.055 -3.888 1.00 0.00 C ATOM 441 CG PHE A 33 0.706 8.004 -2.740 1.00 0.00 C ATOM 442 CD1 PHE A 33 -0.092 9.139 -2.913 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.303 7.750 -1.500 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.291 10.022 -1.845 1.00 0.01 C ATOM 445 CE2 PHE A 33 1.102 8.629 -0.432 1.00 0.00 C ATOM 446 CZ PHE A 33 0.307 9.767 -0.605 1.00 0.00 C ATOM 0 H PHE A 33 1.773 5.819 -5.883 1.00 0.00 H new ATOM 0 HA PHE A 33 2.014 8.515 -5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.069 7.040 -4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.073 6.039 -3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.554 9.334 -3.869 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.920 6.873 -1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.906 10.900 -1.978 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.560 8.430 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.154 10.449 0.218 1.00 0.00 H new ATOM 456 N LEU A 34 3.979 6.396 -3.462 1.00 0.00 N ATOM 457 CA LEU A 34 5.148 6.370 -2.531 1.00 0.00 C ATOM 458 C LEU A 34 6.204 7.333 -3.048 1.00 0.00 C ATOM 459 O LEU A 34 6.865 8.013 -2.287 1.00 0.00 O ATOM 460 CB LEU A 34 5.747 4.967 -2.484 1.00 0.00 C ATOM 461 CG LEU A 34 4.791 3.999 -1.769 1.00 0.00 C ATOM 462 CD1 LEU A 34 5.319 2.555 -1.893 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.653 4.388 -0.279 1.00 0.00 C ATOM 0 H LEU A 34 3.716 5.494 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 34 4.821 6.657 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.942 4.614 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.705 4.991 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 34 3.809 4.060 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.637 1.873 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.387 2.282 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.307 2.488 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.973 3.695 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.631 4.343 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.258 5.401 -0.203 1.00 0.00 H new ATOM 475 N LYS A 35 6.369 7.404 -4.330 1.00 0.00 N ATOM 476 CA LYS A 35 7.383 8.333 -4.883 1.00 0.00 C ATOM 477 C LYS A 35 7.076 9.751 -4.384 1.00 0.01 C ATOM 478 O LYS A 35 7.969 10.518 -4.086 1.00 0.00 O ATOM 479 CB LYS A 35 7.321 8.295 -6.409 1.00 0.00 C ATOM 480 CG LYS A 35 8.502 9.071 -6.988 1.00 0.00 C ATOM 481 CD LYS A 35 8.497 8.940 -8.510 1.00 0.00 C ATOM 482 CE LYS A 35 9.782 9.543 -9.078 1.00 0.00 C ATOM 483 NZ LYS A 35 9.758 9.456 -10.566 1.00 0.01 N ATOM 0 H LYS A 35 5.848 6.862 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 35 8.381 8.039 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.344 7.263 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.383 8.728 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.437 10.121 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.438 8.687 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.418 7.891 -8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.628 9.450 -8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.877 10.583 -8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.649 9.012 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.632 9.866 -10.952 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 9.687 8.459 -10.854 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 8.938 9.982 -10.931 1.00 0.01 H new ATOM 497 N SER A 36 5.820 10.102 -4.288 1.00 0.00 N ATOM 498 CA SER A 36 5.460 11.468 -3.804 1.00 0.00 C ATOM 499 C SER A 36 5.968 11.667 -2.372 1.00 0.00 C ATOM 500 O SER A 36 6.444 12.727 -2.016 1.00 0.00 O ATOM 501 CB SER A 36 3.940 11.651 -3.839 1.00 0.00 C ATOM 502 OG SER A 36 3.488 11.585 -5.187 1.00 0.00 O ATOM 0 H SER A 36 5.029 9.503 -4.523 1.00 0.00 H new ATOM 0 HA SER A 36 5.926 12.207 -4.456 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.456 10.878 -3.243 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.668 12.610 -3.399 1.00 0.00 H new ATOM 0 HG SER A 36 2.515 11.700 -5.212 1.00 0.00 H new ATOM 508 N GLU A 37 5.859 10.659 -1.541 1.00 0.00 N ATOM 509 CA GLU A 37 6.326 10.788 -0.122 1.00 0.00 C ATOM 510 C GLU A 37 7.683 10.100 0.033 1.00 0.00 C ATOM 511 O GLU A 37 8.223 10.008 1.119 1.00 0.00 O ATOM 512 CB GLU A 37 5.310 10.113 0.804 1.00 0.00 C ATOM 513 CG GLU A 37 3.991 10.886 0.756 1.00 0.00 C ATOM 514 CD GLU A 37 3.312 10.646 -0.591 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.500 9.576 -1.138 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.622 11.539 -1.053 1.00 0.00 O ATOM 0 H GLU A 37 5.466 9.750 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 37 6.421 11.842 0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.151 9.080 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.692 10.086 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.338 10.564 1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.175 11.951 0.898 1.00 0.00 H new ATOM 523 N TYR A 38 8.241 9.618 -1.042 1.00 0.00 N ATOM 524 CA TYR A 38 9.565 8.941 -0.963 1.00 0.00 C ATOM 525 C TYR A 38 9.502 7.823 0.077 1.00 0.00 C ATOM 526 O TYR A 38 10.468 7.534 0.754 1.00 0.00 O ATOM 527 CB TYR A 38 10.626 9.964 -0.566 1.00 0.00 C ATOM 528 CG TYR A 38 10.530 11.151 -1.492 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.081 11.081 -2.777 1.00 0.00 C ATOM 530 CD2 TYR A 38 9.876 12.315 -1.072 1.00 0.00 C ATOM 531 CE1 TYR A 38 10.980 12.179 -3.640 1.00 0.00 C ATOM 532 CE2 TYR A 38 9.773 13.411 -1.936 1.00 0.00 C ATOM 533 CZ TYR A 38 10.325 13.342 -3.220 1.00 0.01 C ATOM 534 OH TYR A 38 10.223 14.422 -4.073 1.00 0.00 O ATOM 0 H TYR A 38 7.835 9.664 -1.976 1.00 0.00 H new ATOM 0 HA TYR A 38 9.822 8.512 -1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.478 10.279 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.619 9.519 -0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.583 10.182 -3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.451 12.367 -0.081 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.408 12.128 -4.630 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.268 14.309 -1.612 1.00 0.00 H new ATOM 0 HH TYR A 38 9.738 15.147 -3.626 1.00 0.00 H new ATOM 544 N SER A 39 8.363 7.193 0.201 1.00 0.00 N ATOM 545 CA SER A 39 8.203 6.082 1.187 1.00 0.00 C ATOM 546 C SER A 39 8.243 4.746 0.433 1.00 0.00 C ATOM 547 O SER A 39 7.583 3.793 0.796 1.00 0.00 O ATOM 548 CB SER A 39 6.858 6.252 1.916 1.00 0.00 C ATOM 549 OG SER A 39 5.941 6.907 1.053 1.00 0.00 O ATOM 0 H SER A 39 7.527 7.403 -0.345 1.00 0.00 H new ATOM 0 HA SER A 39 9.007 6.100 1.923 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.466 5.279 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.996 6.832 2.828 1.00 0.00 H new ATOM 0 HG SER A 39 5.082 7.017 1.511 1.00 0.00 H new ATOM 555 N GLU A 40 9.009 4.673 -0.624 1.00 0.00 N ATOM 556 CA GLU A 40 9.086 3.406 -1.407 1.00 0.00 C ATOM 557 C GLU A 40 9.790 2.326 -0.584 1.00 0.00 C ATOM 558 O GLU A 40 9.594 1.153 -0.788 1.00 0.00 O ATOM 559 CB GLU A 40 9.855 3.648 -2.709 1.00 0.00 C ATOM 560 CG GLU A 40 11.266 4.151 -2.397 1.00 0.00 C ATOM 561 CD GLU A 40 12.021 4.388 -3.707 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.572 3.889 -4.726 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.035 5.064 -3.668 1.00 0.00 O ATOM 0 H GLU A 40 9.585 5.437 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 40 8.076 3.072 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.908 2.725 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.327 4.378 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.216 5.075 -1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.797 3.422 -1.785 1.00 0.00 H new ATOM 570 N GLU A 41 10.606 2.699 0.350 1.00 0.00 N ATOM 571 CA GLU A 41 11.281 1.655 1.161 1.00 0.00 C ATOM 572 C GLU A 41 10.216 0.884 1.943 1.00 0.00 C ATOM 573 O GLU A 41 10.365 -0.287 2.236 1.00 0.00 O ATOM 574 CB GLU A 41 12.268 2.312 2.126 1.00 0.00 C ATOM 575 CG GLU A 41 11.533 3.322 3.007 1.00 0.00 C ATOM 576 CD GLU A 41 12.539 4.004 3.931 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.613 3.454 4.104 1.00 0.00 O ATOM 578 OE2 GLU A 41 12.222 5.065 4.442 1.00 0.00 O ATOM 0 H GLU A 41 10.835 3.664 0.587 1.00 0.00 H new ATOM 0 HA GLU A 41 11.830 0.971 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.745 1.553 2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.060 2.811 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.028 4.064 2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.764 2.820 3.594 1.00 0.00 H new ATOM 585 N ASN A 42 9.140 1.541 2.285 1.00 0.00 N ATOM 586 CA ASN A 42 8.056 0.865 3.050 1.00 0.00 C ATOM 587 C ASN A 42 7.473 -0.311 2.257 1.00 0.00 C ATOM 588 O ASN A 42 7.249 -1.371 2.805 1.00 0.00 O ATOM 589 CB ASN A 42 6.953 1.877 3.367 1.00 0.00 C ATOM 590 CG ASN A 42 7.456 2.845 4.438 1.00 0.00 C ATOM 591 OD1 ASN A 42 7.321 4.045 4.306 1.00 0.00 O ATOM 592 ND2 ASN A 42 8.039 2.366 5.504 1.00 0.00 N ATOM 0 H ASN A 42 8.966 2.522 2.066 1.00 0.00 H new ATOM 0 HA ASN A 42 8.476 0.473 3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.674 2.424 2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.058 1.361 3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.381 3.000 6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.152 1.358 5.614 1.00 0.00 H new ATOM 599 N ILE A 43 7.219 -0.157 0.978 1.00 0.00 N ATOM 600 CA ILE A 43 6.653 -1.315 0.221 1.00 0.00 C ATOM 601 C ILE A 43 7.734 -2.384 0.086 1.00 0.00 C ATOM 602 O ILE A 43 7.476 -3.558 0.235 1.00 0.00 O ATOM 603 CB ILE A 43 6.111 -0.882 -1.160 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.198 -1.983 -1.721 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.245 -0.634 -2.158 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.886 -2.076 -0.921 1.00 0.00 C ATOM 0 H ILE A 43 7.374 0.695 0.440 1.00 0.00 H new ATOM 0 HA ILE A 43 5.804 -1.724 0.769 1.00 0.00 H new ATOM 0 HB ILE A 43 5.558 0.047 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.975 -1.777 -2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.716 -2.941 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.826 -0.331 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.895 0.155 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.823 -1.549 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.259 -2.863 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.110 -2.307 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.358 -1.124 -0.976 1.00 0.00 H new ATOM 618 N ASP A 44 8.958 -1.992 -0.159 1.00 0.00 N ATOM 619 CA ASP A 44 10.037 -3.012 -0.257 1.00 0.00 C ATOM 620 C ASP A 44 10.125 -3.717 1.093 1.00 0.00 C ATOM 621 O ASP A 44 10.215 -4.926 1.179 1.00 0.00 O ATOM 622 CB ASP A 44 11.371 -2.331 -0.568 1.00 0.00 C ATOM 623 CG ASP A 44 11.350 -1.796 -1.999 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.509 -2.240 -2.763 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.178 -0.957 -2.309 1.00 0.00 O ATOM 0 H ASP A 44 9.251 -1.024 -0.293 1.00 0.00 H new ATOM 0 HA ASP A 44 9.819 -3.724 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.547 -1.516 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.190 -3.040 -0.446 1.00 0.00 H new ATOM 630 N PHE A 45 10.065 -2.955 2.150 1.00 0.00 N ATOM 631 CA PHE A 45 10.108 -3.543 3.515 1.00 0.00 C ATOM 632 C PHE A 45 8.885 -4.443 3.697 1.00 0.00 C ATOM 633 O PHE A 45 8.961 -5.512 4.270 1.00 0.00 O ATOM 634 CB PHE A 45 10.079 -2.413 4.545 1.00 0.00 C ATOM 635 CG PHE A 45 10.050 -2.991 5.940 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.246 -3.312 6.591 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.824 -3.206 6.577 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.215 -3.850 7.884 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.792 -3.743 7.870 1.00 0.00 C ATOM 640 CZ PHE A 45 9.988 -4.066 8.523 1.00 0.00 C ATOM 0 H PHE A 45 9.987 -1.938 2.124 1.00 0.00 H new ATOM 0 HA PHE A 45 11.017 -4.129 3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.955 -1.776 4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.203 -1.784 4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.192 -3.145 6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.902 -2.958 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.137 -4.098 8.388 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.845 -3.908 8.363 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.964 -4.482 9.519 1.00 0.00 H new ATOM 650 N TRP A 46 7.758 -4.008 3.206 1.00 0.00 N ATOM 651 CA TRP A 46 6.513 -4.816 3.328 1.00 0.00 C ATOM 652 C TRP A 46 6.704 -6.166 2.638 1.00 0.00 C ATOM 653 O TRP A 46 6.267 -7.188 3.128 1.00 0.00 O ATOM 654 CB TRP A 46 5.367 -4.059 2.656 1.00 0.00 C ATOM 655 CG TRP A 46 4.103 -4.848 2.751 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.329 -4.946 3.853 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.447 -5.638 1.720 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.241 -5.748 3.567 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.268 -6.199 2.263 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.759 -5.920 0.378 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.425 -7.011 1.503 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.914 -6.738 -0.391 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.749 -7.281 0.171 1.00 0.00 C ATOM 0 H TRP A 46 7.646 -3.118 2.721 1.00 0.00 H new ATOM 0 HA TRP A 46 6.284 -4.983 4.381 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.235 -3.087 3.132 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.609 -3.871 1.610 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.528 -4.474 4.804 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.508 -5.979 4.237 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.653 -5.506 -0.064 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.530 -7.427 1.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.163 -6.950 -1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.103 -7.908 -0.426 1.00 0.00 H new ATOM 674 N ILE A 47 7.350 -6.181 1.508 1.00 0.00 N ATOM 675 CA ILE A 47 7.561 -7.470 0.792 1.00 0.00 C ATOM 676 C ILE A 47 8.416 -8.381 1.668 1.00 0.00 C ATOM 677 O ILE A 47 8.172 -9.567 1.772 1.00 0.00 O ATOM 678 CB ILE A 47 8.278 -7.194 -0.536 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.350 -6.377 -1.445 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.630 -8.513 -1.233 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.118 -5.874 -2.673 1.00 0.00 C ATOM 0 H ILE A 47 7.741 -5.359 1.049 1.00 0.00 H new ATOM 0 HA ILE A 47 6.606 -7.953 0.588 1.00 0.00 H new ATOM 0 HB ILE A 47 9.196 -6.640 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.506 -6.991 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.940 -5.532 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.138 -8.303 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.285 -9.101 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.717 -9.075 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.448 -5.296 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.946 -5.243 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.506 -6.725 -3.233 1.00 0.00 H new ATOM 693 N SER A 48 9.409 -7.837 2.311 1.00 0.00 N ATOM 694 CA SER A 48 10.266 -8.676 3.188 1.00 0.00 C ATOM 695 C SER A 48 9.432 -9.155 4.377 1.00 0.00 C ATOM 696 O SER A 48 9.540 -10.286 4.808 1.00 0.00 O ATOM 697 CB SER A 48 11.449 -7.847 3.689 1.00 0.00 C ATOM 698 OG SER A 48 10.971 -6.812 4.538 1.00 0.00 O ATOM 0 H SER A 48 9.663 -6.850 2.267 1.00 0.00 H new ATOM 0 HA SER A 48 10.643 -9.534 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.150 -8.482 4.230 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.992 -7.420 2.846 1.00 0.00 H new ATOM 0 HG SER A 48 10.191 -6.385 4.126 1.00 0.00 H new ATOM 704 N CYS A 49 8.598 -8.304 4.910 1.00 0.00 N ATOM 705 CA CYS A 49 7.758 -8.716 6.068 1.00 0.00 C ATOM 706 C CYS A 49 6.747 -9.779 5.620 1.00 0.00 C ATOM 707 O CYS A 49 6.521 -10.756 6.302 1.00 0.01 O ATOM 708 CB CYS A 49 7.024 -7.499 6.632 1.00 0.00 C ATOM 709 SG CYS A 49 6.564 -7.831 8.350 1.00 0.01 S ATOM 0 H CYS A 49 8.463 -7.344 4.594 1.00 0.00 H new ATOM 0 HA CYS A 49 8.396 -9.137 6.845 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.661 -6.616 6.577 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.135 -7.288 6.038 1.00 0.00 H new ATOM 0 HG CYS A 49 7.128 -6.955 9.127 1.00 0.01 H new ATOM 715 N GLU A 50 6.141 -9.604 4.476 1.00 0.00 N ATOM 716 CA GLU A 50 5.155 -10.622 4.005 1.00 0.00 C ATOM 717 C GLU A 50 5.864 -11.965 3.869 1.00 0.01 C ATOM 718 O GLU A 50 5.393 -12.976 4.346 1.00 0.00 O ATOM 719 CB GLU A 50 4.589 -10.204 2.649 1.00 0.01 C ATOM 720 CG GLU A 50 3.680 -8.987 2.823 1.00 0.00 C ATOM 721 CD GLU A 50 2.404 -9.404 3.557 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.090 -10.583 3.534 1.00 0.01 O ATOM 723 OE2 GLU A 50 1.762 -8.537 4.127 1.00 0.00 O ATOM 0 H GLU A 50 6.283 -8.809 3.852 1.00 0.00 H new ATOM 0 HA GLU A 50 4.338 -10.703 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.402 -9.968 1.962 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.029 -11.028 2.208 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.198 -8.210 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.431 -8.564 1.850 1.00 0.00 H new ATOM 730 N GLU A 51 7.006 -11.980 3.243 1.00 0.01 N ATOM 731 CA GLU A 51 7.753 -13.257 3.108 1.00 0.00 C ATOM 732 C GLU A 51 8.062 -13.763 4.515 1.00 0.01 C ATOM 733 O GLU A 51 7.977 -14.940 4.805 1.00 0.00 O ATOM 734 CB GLU A 51 9.057 -13.011 2.343 1.00 0.00 C ATOM 735 CG GLU A 51 8.739 -12.700 0.879 1.00 0.00 C ATOM 736 CD GLU A 51 10.038 -12.414 0.123 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.073 -12.360 0.765 1.00 0.00 O ATOM 738 OE2 GLU A 51 9.974 -12.255 -1.085 1.00 0.01 O ATOM 0 H GLU A 51 7.452 -11.166 2.821 1.00 0.01 H new ATOM 0 HA GLU A 51 7.164 -13.993 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.603 -12.181 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.700 -13.889 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.218 -13.542 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.072 -11.840 0.816 1.00 0.00 H new ATOM 745 N TYR A 52 8.412 -12.863 5.392 1.00 0.00 N ATOM 746 CA TYR A 52 8.725 -13.245 6.796 1.00 0.01 C ATOM 747 C TYR A 52 7.473 -13.857 7.438 1.00 0.01 C ATOM 748 O TYR A 52 7.544 -14.817 8.180 1.00 0.01 O ATOM 749 CB TYR A 52 9.139 -11.989 7.569 1.00 0.00 C ATOM 750 CG TYR A 52 9.710 -12.372 8.910 1.00 0.01 C ATOM 751 CD1 TYR A 52 8.859 -12.594 9.998 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.093 -12.502 9.064 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.395 -12.945 11.242 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.629 -12.853 10.306 1.00 0.00 C ATOM 755 CZ TYR A 52 10.782 -13.075 11.397 1.00 0.01 C ATOM 756 OH TYR A 52 11.309 -13.424 12.624 1.00 0.01 O ATOM 0 H TYR A 52 8.495 -11.866 5.192 1.00 0.00 H new ATOM 0 HA TYR A 52 9.536 -13.972 6.818 1.00 0.01 H new ATOM 0 HB2 TYR A 52 9.878 -11.427 6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.277 -11.335 7.705 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.790 -12.495 9.878 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.748 -12.331 8.223 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.740 -13.116 12.083 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.698 -12.953 10.424 1.00 0.00 H new ATOM 0 HH TYR A 52 10.599 -13.786 13.194 1.00 0.01 H new ATOM 766 N LYS A 53 6.323 -13.297 7.156 1.00 0.01 N ATOM 767 CA LYS A 53 5.054 -13.824 7.744 1.00 0.01 C ATOM 768 C LYS A 53 4.703 -15.191 7.158 1.00 0.01 C ATOM 769 O LYS A 53 3.974 -15.957 7.758 1.00 0.01 O ATOM 770 CB LYS A 53 3.913 -12.849 7.449 1.00 0.01 C ATOM 771 CG LYS A 53 4.078 -11.595 8.304 1.00 0.00 C ATOM 772 CD LYS A 53 2.934 -10.622 8.009 1.00 0.00 C ATOM 773 CE LYS A 53 3.075 -9.374 8.885 1.00 0.01 C ATOM 774 NZ LYS A 53 2.571 -9.672 10.257 1.00 0.00 N ATOM 0 H LYS A 53 6.209 -12.492 6.540 1.00 0.01 H new ATOM 0 HA LYS A 53 5.194 -13.930 8.820 1.00 0.01 H new ATOM 0 HB2 LYS A 53 3.912 -12.583 6.392 1.00 0.01 H new ATOM 0 HB3 LYS A 53 2.954 -13.322 7.660 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.080 -11.860 9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.036 -11.121 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.946 -10.341 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.976 -11.105 8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.119 -9.063 8.929 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.514 -8.546 8.451 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 2.666 -8.825 10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.570 -9.949 10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.125 -10.450 10.669 1.00 0.00 H new ATOM 788 N LYS A 54 5.200 -15.511 5.996 1.00 0.00 N ATOM 789 CA LYS A 54 4.870 -16.833 5.393 1.00 0.01 C ATOM 790 C LYS A 54 5.841 -17.882 5.927 1.00 0.01 C ATOM 791 O LYS A 54 5.502 -19.042 6.068 1.00 0.01 O ATOM 792 CB LYS A 54 5.011 -16.743 3.875 1.00 0.01 C ATOM 793 CG LYS A 54 3.919 -15.836 3.310 1.00 0.01 C ATOM 794 CD LYS A 54 4.070 -15.756 1.794 1.00 0.00 C ATOM 795 CE LYS A 54 2.982 -14.850 1.217 1.00 0.01 C ATOM 796 NZ LYS A 54 3.275 -14.583 -0.219 1.00 0.01 N ATOM 0 H LYS A 54 5.817 -14.919 5.440 1.00 0.00 H new ATOM 0 HA LYS A 54 3.848 -17.111 5.650 1.00 0.01 H new ATOM 0 HB2 LYS A 54 5.994 -16.351 3.614 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.936 -17.737 3.433 1.00 0.01 H new ATOM 0 HG2 LYS A 54 2.935 -16.226 3.570 1.00 0.01 H new ATOM 0 HG3 LYS A 54 3.993 -14.841 3.748 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.055 -15.367 1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.997 -16.752 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.006 -15.324 1.319 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.941 -13.913 1.772 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 2.537 -13.967 -0.615 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 4.199 -14.114 -0.303 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 3.294 -15.481 -0.742 1.00 0.01 H new ATOM 810 N ILE A 55 7.040 -17.485 6.242 1.00 0.01 N ATOM 811 CA ILE A 55 8.024 -18.459 6.786 1.00 0.01 C ATOM 812 C ILE A 55 7.683 -18.746 8.248 1.00 0.00 C ATOM 813 O ILE A 55 7.816 -17.893 9.103 1.00 0.01 O ATOM 814 CB ILE A 55 9.429 -17.873 6.693 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.784 -17.641 5.223 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.429 -18.850 7.313 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.075 -16.829 5.132 1.00 0.01 C ATOM 0 H ILE A 55 7.381 -16.529 6.146 1.00 0.01 H new ATOM 0 HA ILE A 55 7.984 -19.384 6.210 1.00 0.01 H new ATOM 0 HB ILE A 55 9.467 -16.926 7.231 1.00 0.01 H new ATOM 0 HG12 ILE A 55 9.906 -18.596 4.712 1.00 0.01 H new ATOM 0 HG13 ILE A 55 8.973 -17.113 4.721 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.434 -18.433 7.247 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.173 -19.017 8.359 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.394 -19.797 6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.328 -16.664 4.085 1.00 0.01 H new ATOM 0 HD12 ILE A 55 10.936 -15.868 5.628 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.883 -17.375 5.619 1.00 0.01 H new ATOM 829 N LYS A 56 7.240 -19.940 8.546 1.00 0.01 N ATOM 830 CA LYS A 56 6.881 -20.285 9.956 1.00 0.01 C ATOM 831 C LYS A 56 8.030 -21.055 10.612 1.00 0.01 C ATOM 832 O LYS A 56 7.950 -21.447 11.757 1.00 0.01 O ATOM 833 CB LYS A 56 5.619 -21.145 9.953 1.00 0.01 C ATOM 834 CG LYS A 56 4.433 -20.287 9.503 1.00 0.01 C ATOM 835 CD LYS A 56 3.157 -21.130 9.492 1.00 0.00 C ATOM 836 CE LYS A 56 1.982 -20.259 9.044 1.00 0.00 C ATOM 837 NZ LYS A 56 0.768 -21.104 8.875 1.00 0.00 N ATOM 0 H LYS A 56 7.111 -20.694 7.872 1.00 0.01 H new ATOM 0 HA LYS A 56 6.701 -19.371 10.521 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.744 -21.995 9.283 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.436 -21.548 10.949 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.312 -19.437 10.174 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.621 -19.883 8.508 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.274 -21.979 8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.966 -21.536 10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.794 -19.478 9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.223 -19.760 8.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.029 -20.509 8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.950 -21.834 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.534 -21.560 9.780 1.00 0.00 H new ATOM 851 N SER A 57 9.099 -21.275 9.892 1.00 0.00 N ATOM 852 CA SER A 57 10.260 -22.020 10.471 1.00 0.01 C ATOM 853 C SER A 57 11.239 -21.011 11.111 1.00 0.01 C ATOM 854 O SER A 57 11.836 -20.231 10.402 1.00 0.00 O ATOM 855 CB SER A 57 10.986 -22.748 9.342 1.00 0.01 C ATOM 856 OG SER A 57 10.133 -23.756 8.816 1.00 0.01 O ATOM 0 H SER A 57 9.220 -20.971 8.926 1.00 0.00 H new ATOM 0 HA SER A 57 9.909 -22.730 11.220 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.264 -22.044 8.558 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.909 -23.193 9.713 1.00 0.01 H new ATOM 0 HG SER A 57 10.592 -24.227 8.089 1.00 0.01 H new ATOM 862 N PRO A 58 11.422 -20.998 12.426 1.00 0.00 N ATOM 863 CA PRO A 58 12.359 -20.012 13.044 1.00 0.01 C ATOM 864 C PRO A 58 13.821 -20.239 12.627 1.00 0.00 C ATOM 865 O PRO A 58 14.692 -19.454 12.949 1.00 0.00 O ATOM 866 CB PRO A 58 12.165 -20.247 14.557 1.00 0.01 C ATOM 867 CG PRO A 58 11.230 -21.459 14.752 1.00 0.01 C ATOM 868 CD PRO A 58 10.733 -21.929 13.371 1.00 0.01 C ATOM 0 HA PRO A 58 12.148 -18.990 12.729 1.00 0.01 H new ATOM 0 HB2 PRO A 58 13.126 -20.430 15.038 1.00 0.01 H new ATOM 0 HB3 PRO A 58 11.738 -19.360 15.026 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.759 -22.267 15.258 1.00 0.01 H new ATOM 0 HG3 PRO A 58 10.385 -21.186 15.385 1.00 0.01 H new ATOM 0 HD2 PRO A 58 11.000 -22.968 13.179 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.649 -21.858 13.288 1.00 0.01 H new ATOM 876 N SER A 59 14.102 -21.300 11.926 1.00 0.01 N ATOM 877 CA SER A 59 15.509 -21.562 11.510 1.00 0.01 C ATOM 878 C SER A 59 15.823 -20.794 10.221 1.00 0.01 C ATOM 879 O SER A 59 16.967 -20.501 9.932 1.00 0.01 O ATOM 880 CB SER A 59 15.698 -23.059 11.267 1.00 0.01 C ATOM 881 OG SER A 59 14.974 -23.441 10.106 1.00 0.01 O ATOM 0 H SER A 59 13.421 -21.996 11.623 1.00 0.01 H new ATOM 0 HA SER A 59 16.183 -21.230 12.300 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.756 -23.288 11.141 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.349 -23.626 12.130 1.00 0.01 H new ATOM 0 HG SER A 59 15.094 -24.400 9.946 1.00 0.01 H new ATOM 887 N LYS A 60 14.824 -20.468 9.441 1.00 0.00 N ATOM 888 CA LYS A 60 15.082 -19.722 8.169 1.00 0.00 C ATOM 889 C LYS A 60 14.910 -18.218 8.398 1.00 0.01 C ATOM 890 O LYS A 60 15.405 -17.407 7.642 1.00 0.01 O ATOM 891 CB LYS A 60 14.091 -20.180 7.101 1.00 0.01 C ATOM 892 CG LYS A 60 14.418 -21.611 6.680 1.00 0.01 C ATOM 893 CD LYS A 60 13.424 -22.063 5.613 1.00 0.01 C ATOM 894 CE LYS A 60 13.747 -23.495 5.190 1.00 0.01 C ATOM 895 NZ LYS A 60 12.664 -24.001 4.301 1.00 0.01 N ATOM 0 H LYS A 60 13.845 -20.684 9.627 1.00 0.00 H new ATOM 0 HA LYS A 60 16.102 -19.923 7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.073 -20.127 7.488 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.138 -19.516 6.238 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.435 -21.665 6.292 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.371 -22.276 7.542 1.00 0.01 H new ATOM 0 HD2 LYS A 60 12.407 -22.008 6.001 1.00 0.01 H new ATOM 0 HD3 LYS A 60 13.472 -21.398 4.751 1.00 0.01 H new ATOM 0 HE2 LYS A 60 14.704 -23.526 4.670 1.00 0.01 H new ATOM 0 HE3 LYS A 60 13.841 -24.134 6.068 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 12.880 -24.976 4.011 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 11.759 -23.985 4.813 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 12.596 -23.396 3.458 1.00 0.01 H new ATOM 909 N LEU A 61 14.213 -17.841 9.433 1.00 0.01 N ATOM 910 CA LEU A 61 14.011 -16.388 9.705 1.00 0.01 C ATOM 911 C LEU A 61 15.369 -15.728 9.972 1.00 0.01 C ATOM 912 O LEU A 61 15.626 -14.619 9.551 1.00 0.01 O ATOM 913 CB LEU A 61 13.106 -16.211 10.929 1.00 0.01 C ATOM 914 CG LEU A 61 11.739 -16.867 10.680 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.842 -16.657 11.910 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.068 -16.260 9.433 1.00 0.01 C ATOM 0 H LEU A 61 13.775 -18.474 10.102 1.00 0.01 H new ATOM 0 HA LEU A 61 13.540 -15.920 8.840 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.577 -16.657 11.805 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.975 -15.150 11.142 1.00 0.01 H new ATOM 0 HG LEU A 61 11.883 -17.934 10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.871 -17.121 11.736 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.310 -17.111 12.783 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.707 -15.589 12.084 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.101 -16.736 9.272 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.925 -15.190 9.581 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.703 -16.424 8.562 1.00 0.01 H new ATOM 928 N SER A 62 16.229 -16.400 10.687 1.00 0.00 N ATOM 929 CA SER A 62 17.566 -15.817 11.004 1.00 0.01 C ATOM 930 C SER A 62 18.263 -15.289 9.727 1.00 0.01 C ATOM 931 O SER A 62 18.502 -14.103 9.613 1.00 0.01 O ATOM 932 CB SER A 62 18.425 -16.879 11.708 1.00 0.01 C ATOM 933 OG SER A 62 18.346 -16.677 13.113 1.00 0.01 O ATOM 0 H SER A 62 16.064 -17.332 11.067 1.00 0.00 H new ATOM 0 HA SER A 62 17.435 -14.965 11.671 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.075 -17.879 11.451 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.460 -16.808 11.375 1.00 0.01 H new ATOM 0 HG SER A 62 18.890 -17.351 13.572 1.00 0.01 H new ATOM 939 N PRO A 63 18.599 -16.138 8.772 1.00 0.00 N ATOM 940 CA PRO A 63 19.279 -15.670 7.530 1.00 0.00 C ATOM 941 C PRO A 63 18.720 -14.349 6.974 1.00 0.01 C ATOM 942 O PRO A 63 19.416 -13.355 6.910 1.00 0.00 O ATOM 943 CB PRO A 63 19.032 -16.842 6.559 1.00 0.01 C ATOM 944 CG PRO A 63 18.517 -18.045 7.376 1.00 0.01 C ATOM 945 CD PRO A 63 18.345 -17.604 8.845 1.00 0.01 C ATOM 0 HA PRO A 63 20.331 -15.439 7.700 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.304 -16.559 5.799 1.00 0.01 H new ATOM 0 HB3 PRO A 63 19.952 -17.103 6.037 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.568 -18.398 6.973 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.219 -18.876 7.310 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.346 -17.825 9.221 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.052 -18.106 9.505 1.00 0.01 H new ATOM 953 N LYS A 64 17.482 -14.329 6.548 1.00 0.01 N ATOM 954 CA LYS A 64 16.928 -13.067 5.978 1.00 0.01 C ATOM 955 C LYS A 64 16.733 -12.021 7.077 1.00 0.00 C ATOM 956 O LYS A 64 16.818 -10.834 6.831 1.00 0.00 O ATOM 957 CB LYS A 64 15.589 -13.337 5.275 1.00 0.00 C ATOM 958 CG LYS A 64 14.610 -14.043 6.228 1.00 0.01 C ATOM 959 CD LYS A 64 13.167 -13.791 5.767 1.00 0.01 C ATOM 960 CE LYS A 64 12.969 -14.344 4.353 1.00 0.01 C ATOM 961 NZ LYS A 64 11.535 -14.220 3.969 1.00 0.00 N ATOM 0 H LYS A 64 16.840 -15.121 6.570 1.00 0.01 H new ATOM 0 HA LYS A 64 17.641 -12.683 5.248 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.157 -12.397 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.754 -13.954 4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.814 -15.114 6.247 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.747 -13.674 7.244 1.00 0.01 H new ATOM 0 HD2 LYS A 64 12.468 -14.267 6.454 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.952 -12.723 5.783 1.00 0.01 H new ATOM 0 HE2 LYS A 64 13.594 -13.798 3.646 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.279 -15.388 4.312 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 11.289 -14.976 3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.940 -14.303 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.374 -13.295 3.522 1.00 0.00 H new ATOM 975 N ALA A 65 16.475 -12.434 8.287 1.00 0.00 N ATOM 976 CA ALA A 65 16.285 -11.432 9.368 1.00 0.01 C ATOM 977 C ALA A 65 17.547 -10.580 9.476 1.00 0.01 C ATOM 978 O ALA A 65 17.489 -9.367 9.484 1.00 0.01 O ATOM 979 CB ALA A 65 16.033 -12.146 10.695 1.00 0.01 C ATOM 0 H ALA A 65 16.389 -13.410 8.570 1.00 0.00 H new ATOM 0 HA ALA A 65 15.428 -10.799 9.138 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.894 -11.408 11.485 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.137 -12.762 10.613 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.887 -12.779 10.936 1.00 0.01 H new ATOM 985 N LYS A 66 18.694 -11.202 9.552 1.00 0.01 N ATOM 986 CA LYS A 66 19.950 -10.411 9.652 1.00 0.00 C ATOM 987 C LYS A 66 20.080 -9.533 8.408 1.00 0.01 C ATOM 988 O LYS A 66 20.441 -8.378 8.491 1.00 0.01 O ATOM 989 CB LYS A 66 21.148 -11.358 9.752 1.00 0.01 C ATOM 990 CG LYS A 66 21.109 -12.069 11.109 1.00 0.01 C ATOM 991 CD LYS A 66 22.299 -13.022 11.230 1.00 0.01 C ATOM 992 CE LYS A 66 22.250 -13.727 12.589 1.00 0.00 C ATOM 993 NZ LYS A 66 22.381 -12.723 13.683 1.00 0.00 N ATOM 0 H LYS A 66 18.813 -12.215 9.549 1.00 0.01 H new ATOM 0 HA LYS A 66 19.924 -9.783 10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.119 -12.088 8.943 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.079 -10.801 9.645 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.136 -11.336 11.915 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.176 -12.623 11.213 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.274 -13.757 10.426 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.233 -12.470 11.128 1.00 0.01 H new ATOM 0 HE2 LYS A 66 21.311 -14.271 12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 66 23.053 -14.460 12.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.684 -13.199 14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.087 -12.008 13.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.463 -12.261 13.842 1.00 0.00 H new ATOM 1007 N LYS A 67 19.771 -10.064 7.254 1.00 0.00 N ATOM 1008 CA LYS A 67 19.864 -9.247 6.013 1.00 0.00 C ATOM 1009 C LYS A 67 18.808 -8.140 6.065 1.00 0.01 C ATOM 1010 O LYS A 67 19.082 -6.990 5.787 1.00 0.01 O ATOM 1011 CB LYS A 67 19.602 -10.137 4.797 1.00 0.00 C ATOM 1012 CG LYS A 67 20.689 -11.209 4.705 1.00 0.01 C ATOM 1013 CD LYS A 67 20.429 -12.099 3.488 1.00 0.00 C ATOM 1014 CE LYS A 67 21.517 -13.169 3.404 1.00 0.00 C ATOM 1015 NZ LYS A 67 22.853 -12.514 3.333 1.00 0.01 N ATOM 0 H LYS A 67 19.459 -11.026 7.119 1.00 0.00 H new ATOM 0 HA LYS A 67 20.859 -8.808 5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.621 -10.605 4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.592 -9.535 3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.670 -10.741 4.623 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.698 -11.811 5.614 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.448 -12.567 3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.422 -11.498 2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.467 -13.823 4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.360 -13.795 2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.471 -13.055 2.695 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.746 -11.545 2.972 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 23.276 -12.485 4.283 1.00 0.01 H new ATOM 1029 N ILE A 68 17.599 -8.483 6.424 1.00 0.01 N ATOM 1030 CA ILE A 68 16.522 -7.458 6.499 1.00 0.00 C ATOM 1031 C ILE A 68 16.858 -6.448 7.597 1.00 0.01 C ATOM 1032 O ILE A 68 16.813 -5.251 7.394 1.00 0.00 O ATOM 1033 CB ILE A 68 15.189 -8.145 6.813 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.769 -9.001 5.614 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.115 -7.088 7.082 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.667 -9.969 6.039 1.00 0.00 C ATOM 0 H ILE A 68 17.312 -9.431 6.669 1.00 0.01 H new ATOM 0 HA ILE A 68 16.442 -6.937 5.545 1.00 0.00 H new ATOM 0 HB ILE A 68 15.304 -8.775 7.695 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.415 -8.363 4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.626 -9.555 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.168 -7.580 7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.414 -6.474 7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.997 -6.457 6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.368 -10.578 5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.038 -10.616 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.807 -9.405 6.401 1.00 0.00 H new ATOM 1048 N TYR A 69 17.195 -6.926 8.764 1.00 0.00 N ATOM 1049 CA TYR A 69 17.537 -6.008 9.885 1.00 0.01 C ATOM 1050 C TYR A 69 18.773 -5.184 9.524 1.00 0.00 C ATOM 1051 O TYR A 69 18.833 -3.994 9.761 1.00 0.01 O ATOM 1052 CB TYR A 69 17.827 -6.832 11.141 1.00 0.01 C ATOM 1053 CG TYR A 69 18.285 -5.926 12.265 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.649 -5.648 12.428 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.351 -5.367 13.149 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.077 -4.814 13.470 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.779 -4.533 14.189 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.142 -4.259 14.350 1.00 0.01 C ATOM 1059 OH TYR A 69 19.564 -3.438 15.378 1.00 0.01 O ATOM 0 H TYR A 69 17.248 -7.919 8.989 1.00 0.00 H new ATOM 0 HA TYR A 69 16.699 -5.336 10.068 1.00 0.01 H new ATOM 0 HB2 TYR A 69 16.932 -7.375 11.443 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.594 -7.576 10.928 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.371 -6.077 11.750 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.299 -5.580 13.027 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.128 -4.600 13.593 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.058 -4.101 14.867 1.00 0.01 H new ATOM 0 HH TYR A 69 18.864 -2.783 15.582 1.00 0.01 H new ATOM 1069 N ASN A 70 19.767 -5.820 8.973 1.00 0.01 N ATOM 1070 CA ASN A 70 21.019 -5.096 8.614 1.00 0.00 C ATOM 1071 C ASN A 70 20.746 -4.045 7.533 1.00 0.00 C ATOM 1072 O ASN A 70 21.300 -2.966 7.547 1.00 0.01 O ATOM 1073 CB ASN A 70 22.047 -6.094 8.083 1.00 0.00 C ATOM 1074 CG ASN A 70 22.536 -6.984 9.228 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.433 -6.619 10.382 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.067 -8.142 8.953 1.00 0.01 N ATOM 0 H ASN A 70 19.767 -6.816 8.754 1.00 0.01 H new ATOM 0 HA ASN A 70 21.399 -4.598 9.506 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.603 -6.706 7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.888 -5.563 7.637 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.397 -8.744 9.708 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.152 -8.446 7.983 1.00 0.01 H new ATOM 1083 N GLU A 71 19.927 -4.362 6.571 1.00 0.00 N ATOM 1084 CA GLU A 71 19.656 -3.390 5.474 1.00 0.00 C ATOM 1085 C GLU A 71 18.540 -2.405 5.838 1.00 0.00 C ATOM 1086 O GLU A 71 18.668 -1.219 5.630 1.00 0.00 O ATOM 1087 CB GLU A 71 19.260 -4.168 4.221 1.00 0.00 C ATOM 1088 CG GLU A 71 20.485 -4.905 3.679 1.00 0.00 C ATOM 1089 CD GLU A 71 20.102 -5.689 2.423 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.918 -5.781 2.144 1.00 0.00 O ATOM 1091 OE2 GLU A 71 20.999 -6.184 1.760 1.00 0.00 O ATOM 0 H GLU A 71 19.433 -5.251 6.496 1.00 0.00 H new ATOM 0 HA GLU A 71 20.561 -2.807 5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.467 -4.879 4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.866 -3.488 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 71 21.277 -4.193 3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 71 20.878 -5.583 4.437 1.00 0.00 H new ATOM 1098 N PHE A 72 17.423 -2.881 6.322 1.00 0.00 N ATOM 1099 CA PHE A 72 16.285 -1.954 6.634 1.00 0.00 C ATOM 1100 C PHE A 72 16.339 -1.373 8.058 1.00 0.00 C ATOM 1101 O PHE A 72 15.973 -0.233 8.264 1.00 0.00 O ATOM 1102 CB PHE A 72 14.964 -2.710 6.452 1.00 0.00 C ATOM 1103 CG PHE A 72 14.704 -2.933 4.980 1.00 0.00 C ATOM 1104 CD1 PHE A 72 13.989 -1.980 4.246 1.00 0.00 C ATOM 1105 CD2 PHE A 72 15.180 -4.089 4.349 1.00 0.00 C ATOM 1106 CE1 PHE A 72 13.748 -2.184 2.882 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.938 -4.292 2.985 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.222 -3.339 2.251 1.00 0.00 C ATOM 0 H PHE A 72 17.246 -3.867 6.516 1.00 0.00 H new ATOM 0 HA PHE A 72 16.363 -1.112 5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.006 -3.667 6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.145 -2.143 6.894 1.00 0.00 H new ATOM 0 HD1 PHE A 72 13.623 -1.087 4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.734 -4.824 4.914 1.00 0.00 H new ATOM 0 HE1 PHE A 72 13.195 -1.449 2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 72 15.304 -5.184 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.036 -3.495 1.199 1.00 0.00 H new ATOM 1118 N ILE A 73 16.722 -2.136 9.050 1.00 0.00 N ATOM 1119 CA ILE A 73 16.704 -1.594 10.455 1.00 0.00 C ATOM 1120 C ILE A 73 18.068 -1.051 10.897 1.00 0.00 C ATOM 1121 O ILE A 73 18.157 -0.355 11.889 1.00 0.01 O ATOM 1122 CB ILE A 73 16.294 -2.718 11.410 1.00 0.00 C ATOM 1123 CG1 ILE A 73 14.925 -3.292 10.991 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.218 -2.182 12.843 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.857 -2.190 10.931 1.00 0.00 C ATOM 0 H ILE A 73 17.044 -3.099 8.957 1.00 0.00 H new ATOM 0 HA ILE A 73 15.995 -0.766 10.478 1.00 0.00 H new ATOM 0 HB ILE A 73 17.040 -3.512 11.365 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.012 -3.772 10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.618 -4.062 11.699 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.926 -2.987 13.517 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.193 -1.796 13.139 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.481 -1.381 12.893 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.903 -2.624 10.633 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.755 -1.728 11.913 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.155 -1.434 10.204 1.00 0.00 H new ATOM 1137 N SER A 74 19.129 -1.345 10.205 1.00 0.01 N ATOM 1138 CA SER A 74 20.447 -0.810 10.658 1.00 0.00 C ATOM 1139 C SER A 74 20.414 0.713 10.670 1.00 0.00 C ATOM 1140 O SER A 74 19.991 1.343 9.722 1.00 0.01 O ATOM 1141 CB SER A 74 21.557 -1.277 9.725 1.00 0.00 C ATOM 1142 OG SER A 74 22.797 -0.741 10.167 1.00 0.01 O ATOM 0 H SER A 74 19.147 -1.920 9.363 1.00 0.01 H new ATOM 0 HA SER A 74 20.642 -1.181 11.664 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.602 -2.366 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.351 -0.954 8.705 1.00 0.00 H new ATOM 0 HG SER A 74 23.514 -1.041 9.570 1.00 0.01 H new ATOM 1148 N VAL A 75 20.869 1.318 11.731 1.00 0.01 N ATOM 1149 CA VAL A 75 20.875 2.802 11.783 1.00 0.01 C ATOM 1150 C VAL A 75 21.750 3.318 10.640 1.00 0.00 C ATOM 1151 O VAL A 75 21.653 4.458 10.233 1.00 0.00 O ATOM 1152 CB VAL A 75 21.414 3.274 13.134 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.635 2.589 14.259 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.895 2.917 13.249 1.00 0.00 C ATOM 0 H VAL A 75 21.235 0.850 12.560 1.00 0.01 H new ATOM 0 HA VAL A 75 19.863 3.190 11.672 1.00 0.01 H new ATOM 0 HB VAL A 75 21.296 4.355 13.214 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.018 2.924 15.223 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.579 2.846 14.179 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.753 1.508 14.178 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.277 3.254 14.213 1.00 0.00 H new ATOM 0 HG22 VAL A 75 23.016 1.837 13.169 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.450 3.405 12.448 1.00 0.00 H new ATOM 1164 N GLN A 76 22.594 2.470 10.108 1.00 0.01 N ATOM 1165 CA GLN A 76 23.473 2.881 8.971 1.00 0.01 C ATOM 1166 C GLN A 76 22.802 2.449 7.667 1.00 0.01 C ATOM 1167 O GLN A 76 23.321 2.645 6.588 1.00 0.01 O ATOM 1168 CB GLN A 76 24.828 2.176 9.082 1.00 0.00 C ATOM 1169 CG GLN A 76 25.612 2.734 10.269 1.00 0.01 C ATOM 1170 CD GLN A 76 26.933 1.976 10.403 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.073 0.881 9.894 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.914 2.512 11.076 1.00 0.01 N ATOM 0 H GLN A 76 22.712 1.504 10.415 1.00 0.01 H new ATOM 0 HA GLN A 76 23.624 3.960 8.992 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.680 1.103 9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.396 2.316 8.162 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.803 3.798 10.126 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.028 2.635 11.184 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.797 3.431 11.503 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.798 2.012 11.175 1.00 0.01 H new ATOM 1181 N ALA A 77 21.647 1.851 7.775 1.00 0.01 N ATOM 1182 CA ALA A 77 20.919 1.385 6.560 1.00 0.00 C ATOM 1183 C ALA A 77 20.926 2.479 5.491 1.00 0.01 C ATOM 1184 O ALA A 77 20.728 3.643 5.779 1.00 0.00 O ATOM 1185 CB ALA A 77 19.470 1.064 6.941 1.00 0.00 C ATOM 0 H ALA A 77 21.173 1.664 8.659 1.00 0.01 H new ATOM 0 HA ALA A 77 21.411 0.496 6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 77 18.929 0.722 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.458 0.282 7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.991 1.960 7.336 1.00 0.00 H new ATOM 1191 N THR A 78 21.135 2.112 4.255 1.00 0.01 N ATOM 1192 CA THR A 78 21.134 3.134 3.174 1.00 0.01 C ATOM 1193 C THR A 78 19.703 3.631 2.989 1.00 0.01 C ATOM 1194 O THR A 78 19.464 4.705 2.474 1.00 0.00 O ATOM 1195 CB THR A 78 21.628 2.508 1.867 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.652 1.592 1.389 1.00 0.01 O ATOM 1197 CG2 THR A 78 22.944 1.771 2.116 1.00 0.01 C ATOM 0 H THR A 78 21.305 1.154 3.950 1.00 0.01 H new ATOM 0 HA THR A 78 21.793 3.960 3.440 1.00 0.01 H new ATOM 0 HB THR A 78 21.790 3.290 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 78 20.963 1.190 0.551 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.294 1.326 1.184 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.691 2.474 2.485 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.787 0.986 2.856 1.00 0.01 H new ATOM 1205 N LYS A 79 18.749 2.847 3.423 1.00 0.00 N ATOM 1206 CA LYS A 79 17.311 3.238 3.305 1.00 0.00 C ATOM 1207 C LYS A 79 16.635 3.031 4.662 1.00 0.00 C ATOM 1208 O LYS A 79 15.883 2.098 4.860 1.00 0.00 O ATOM 1209 CB LYS A 79 16.627 2.363 2.246 1.00 0.00 C ATOM 1210 CG LYS A 79 17.084 0.909 2.396 1.00 0.00 C ATOM 1211 CD LYS A 79 16.360 0.038 1.365 1.00 0.01 C ATOM 1212 CE LYS A 79 16.811 -1.416 1.517 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.355 -2.204 0.335 1.00 0.00 N ATOM 0 H LYS A 79 18.908 1.939 3.860 1.00 0.00 H new ATOM 0 HA LYS A 79 17.231 4.283 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.544 2.426 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.869 2.728 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.162 0.839 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.871 0.552 3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.281 0.112 1.505 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.576 0.393 0.357 1.00 0.01 H new ATOM 0 HE2 LYS A 79 17.897 -1.464 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.400 -1.842 2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.127 -2.820 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.536 -2.787 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.083 -1.555 -0.431 1.00 0.00 H new ATOM 1227 N GLU A 80 16.900 3.898 5.604 1.00 0.00 N ATOM 1228 CA GLU A 80 16.276 3.749 6.948 1.00 0.00 C ATOM 1229 C GLU A 80 14.755 3.814 6.802 1.00 0.00 C ATOM 1230 O GLU A 80 14.232 4.606 6.045 1.00 0.00 O ATOM 1231 CB GLU A 80 16.748 4.890 7.852 1.00 0.00 C ATOM 1232 CG GLU A 80 18.230 4.707 8.188 1.00 0.00 C ATOM 1233 CD GLU A 80 18.691 5.853 9.090 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.913 6.773 9.286 1.00 0.00 O ATOM 1235 OE2 GLU A 80 19.814 5.796 9.565 1.00 0.01 O ATOM 0 H GLU A 80 17.521 4.701 5.499 1.00 0.00 H new ATOM 0 HA GLU A 80 16.563 2.793 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.594 5.848 7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.158 4.908 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.386 3.751 8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.822 4.689 7.273 1.00 0.00 H new ATOM 1242 N VAL A 81 14.040 2.987 7.525 1.00 0.00 N ATOM 1243 CA VAL A 81 12.544 2.995 7.427 1.00 0.00 C ATOM 1244 C VAL A 81 11.961 3.734 8.629 1.00 0.00 C ATOM 1245 O VAL A 81 12.527 3.738 9.702 1.00 0.00 O ATOM 1246 CB VAL A 81 12.028 1.553 7.416 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.297 0.932 6.043 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.745 0.735 8.496 1.00 0.00 C ATOM 0 H VAL A 81 14.426 2.306 8.179 1.00 0.00 H new ATOM 0 HA VAL A 81 12.241 3.498 6.509 1.00 0.00 H new ATOM 0 HB VAL A 81 10.957 1.551 7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.931 -0.095 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.783 1.510 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.369 0.938 5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.373 -0.290 8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.817 0.735 8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.555 1.177 9.474 1.00 0.00 H new ATOM 1258 N ASN A 82 10.832 4.364 8.454 1.00 0.00 N ATOM 1259 CA ASN A 82 10.215 5.110 9.584 1.00 0.00 C ATOM 1260 C ASN A 82 9.619 4.116 10.584 1.00 0.00 C ATOM 1261 O ASN A 82 8.629 3.466 10.317 1.00 0.00 O ATOM 1262 CB ASN A 82 9.110 6.019 9.038 1.00 0.00 C ATOM 1263 CG ASN A 82 8.324 5.265 7.964 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.467 4.068 7.820 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.495 5.920 7.196 1.00 0.00 N ATOM 0 H ASN A 82 10.311 4.394 7.577 1.00 0.00 H new ATOM 0 HA ASN A 82 10.970 5.715 10.086 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.444 6.327 9.844 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.543 6.927 8.618 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.968 5.426 6.476 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.374 6.926 7.316 1.00 0.00 H new ATOM 1272 N LEU A 83 10.222 3.995 11.736 1.00 0.00 N ATOM 1273 CA LEU A 83 9.709 3.047 12.771 1.00 0.00 C ATOM 1274 C LEU A 83 9.969 3.636 14.158 1.00 0.00 C ATOM 1275 O LEU A 83 10.763 4.539 14.320 1.00 0.00 O ATOM 1276 CB LEU A 83 10.437 1.699 12.655 1.00 0.01 C ATOM 1277 CG LEU A 83 10.011 0.962 11.373 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.877 -0.289 11.205 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.525 0.557 11.454 1.00 0.00 C ATOM 0 H LEU A 83 11.055 4.516 12.008 1.00 0.00 H new ATOM 0 HA LEU A 83 8.640 2.893 12.621 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.515 1.861 12.647 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.214 1.083 13.526 1.00 0.01 H new ATOM 0 HG LEU A 83 10.144 1.624 10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.581 -0.817 10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.925 0.001 11.130 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.742 -0.943 12.066 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.239 0.037 10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.374 -0.102 12.309 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.910 1.450 11.571 1.00 0.00 H new ATOM 1291 N ASP A 84 9.305 3.131 15.161 1.00 0.01 N ATOM 1292 CA ASP A 84 9.518 3.665 16.534 1.00 0.00 C ATOM 1293 C ASP A 84 10.899 3.236 17.037 1.00 0.00 C ATOM 1294 O ASP A 84 11.485 2.293 16.543 1.00 0.00 O ATOM 1295 CB ASP A 84 8.431 3.119 17.462 1.00 0.00 C ATOM 1296 CG ASP A 84 7.090 3.760 17.103 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.104 4.768 16.416 1.00 0.01 O ATOM 1298 OD2 ASP A 84 6.072 3.236 17.524 1.00 0.00 O ATOM 0 H ASP A 84 8.626 2.373 15.089 1.00 0.01 H new ATOM 0 HA ASP A 84 9.465 4.754 16.520 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.366 2.035 17.366 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.683 3.333 18.501 1.00 0.00 H new ATOM 1303 N SER A 85 11.426 3.924 18.015 1.00 0.00 N ATOM 1304 CA SER A 85 12.771 3.557 18.545 1.00 0.01 C ATOM 1305 C SER A 85 12.684 2.200 19.237 1.00 0.01 C ATOM 1306 O SER A 85 13.660 1.485 19.346 1.00 0.00 O ATOM 1307 CB SER A 85 13.234 4.611 19.551 1.00 0.01 C ATOM 1308 OG SER A 85 12.378 4.583 20.687 1.00 0.00 O ATOM 0 H SER A 85 10.984 4.723 18.469 1.00 0.00 H new ATOM 0 HA SER A 85 13.484 3.507 17.722 1.00 0.01 H new ATOM 0 HB2 SER A 85 14.263 4.416 19.852 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.218 5.600 19.093 1.00 0.01 H new ATOM 0 HG SER A 85 12.673 5.256 21.335 1.00 0.00 H new ATOM 1314 N CYS A 86 11.522 1.834 19.699 1.00 0.01 N ATOM 1315 CA CYS A 86 11.377 0.518 20.374 1.00 0.01 C ATOM 1316 C CYS A 86 11.200 -0.557 19.308 1.00 0.00 C ATOM 1317 O CYS A 86 11.706 -1.655 19.426 1.00 0.01 O ATOM 1318 CB CYS A 86 10.149 0.542 21.283 1.00 0.01 C ATOM 1319 SG CYS A 86 10.384 1.783 22.577 1.00 0.01 S ATOM 0 H CYS A 86 10.668 2.389 19.638 1.00 0.01 H new ATOM 0 HA CYS A 86 12.262 0.307 20.975 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.257 0.772 20.701 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.994 -0.440 21.730 1.00 0.01 H new ATOM 0 HG CYS A 86 9.339 1.807 23.350 1.00 0.01 H new ATOM 1325 N THR A 87 10.491 -0.245 18.262 1.00 0.00 N ATOM 1326 CA THR A 87 10.283 -1.243 17.180 1.00 0.00 C ATOM 1327 C THR A 87 11.647 -1.645 16.610 1.00 0.00 C ATOM 1328 O THR A 87 11.956 -2.815 16.488 1.00 0.01 O ATOM 1329 CB THR A 87 9.417 -0.623 16.080 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.162 -0.242 16.628 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.191 -1.645 14.962 1.00 0.00 C ATOM 0 H THR A 87 10.046 0.660 18.109 1.00 0.00 H new ATOM 0 HA THR A 87 9.779 -2.126 17.573 1.00 0.00 H new ATOM 0 HB THR A 87 9.923 0.252 15.673 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.718 0.387 16.022 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.574 -1.200 14.181 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.151 -1.942 14.541 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.686 -2.522 15.367 1.00 0.00 H new ATOM 1339 N ARG A 88 12.471 -0.689 16.268 1.00 0.01 N ATOM 1340 CA ARG A 88 13.813 -1.040 15.722 1.00 0.00 C ATOM 1341 C ARG A 88 14.583 -1.812 16.790 1.00 0.00 C ATOM 1342 O ARG A 88 15.115 -2.878 16.544 1.00 0.01 O ATOM 1343 CB ARG A 88 14.581 0.238 15.373 1.00 0.00 C ATOM 1344 CG ARG A 88 13.943 0.909 14.157 1.00 0.00 C ATOM 1345 CD ARG A 88 14.730 2.170 13.812 1.00 0.00 C ATOM 1346 NE ARG A 88 14.058 2.888 12.696 1.00 0.01 N ATOM 1347 CZ ARG A 88 14.383 4.123 12.434 1.00 0.00 C ATOM 1348 NH1 ARG A 88 15.287 4.724 13.156 1.00 0.00 N ATOM 1349 NH2 ARG A 88 13.804 4.758 11.453 1.00 0.01 N ATOM 0 H ARG A 88 12.275 0.309 16.342 1.00 0.01 H new ATOM 0 HA ARG A 88 13.699 -1.645 14.823 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.574 0.921 16.222 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.624 0.001 15.164 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.939 0.224 13.309 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.904 1.161 14.368 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.799 2.818 14.686 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.749 1.908 13.528 1.00 0.00 H new ATOM 0 HE ARG A 88 13.346 2.416 12.138 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.739 4.228 13.924 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.543 5.690 12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.095 4.288 10.889 1.00 0.01 H new ATOM 0 HH22 ARG A 88 14.060 5.724 11.250 1.00 0.01 H new ATOM 1363 N GLU A 89 14.623 -1.287 17.984 1.00 0.01 N ATOM 1364 CA GLU A 89 15.333 -1.989 19.089 1.00 0.01 C ATOM 1365 C GLU A 89 14.679 -3.350 19.303 1.00 0.01 C ATOM 1366 O GLU A 89 15.338 -4.341 19.543 1.00 0.00 O ATOM 1367 CB GLU A 89 15.240 -1.171 20.378 1.00 0.01 C ATOM 1368 CG GLU A 89 16.092 0.093 20.248 1.00 0.01 C ATOM 1369 CD GLU A 89 15.809 1.018 21.434 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.018 0.637 22.282 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.391 2.089 21.477 1.00 0.01 O ATOM 0 H GLU A 89 14.193 -0.399 18.242 1.00 0.01 H new ATOM 0 HA GLU A 89 16.384 -2.113 18.827 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.202 -0.903 20.576 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.583 -1.767 21.224 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.150 -0.169 20.221 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.866 0.603 19.312 1.00 0.01 H new ATOM 1378 N GLU A 90 13.377 -3.401 19.223 1.00 0.00 N ATOM 1379 CA GLU A 90 12.665 -4.693 19.427 1.00 0.01 C ATOM 1380 C GLU A 90 13.161 -5.702 18.395 1.00 0.01 C ATOM 1381 O GLU A 90 13.386 -6.856 18.700 1.00 0.01 O ATOM 1382 CB GLU A 90 11.157 -4.477 19.250 1.00 0.01 C ATOM 1383 CG GLU A 90 10.409 -5.798 19.463 1.00 0.00 C ATOM 1384 CD GLU A 90 8.907 -5.568 19.291 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.519 -4.427 19.103 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.169 -6.538 19.345 1.00 0.01 O ATOM 0 H GLU A 90 12.775 -2.602 19.025 1.00 0.00 H new ATOM 0 HA GLU A 90 12.860 -5.069 20.431 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.802 -3.730 19.961 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.951 -4.090 18.252 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.757 -6.544 18.749 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.616 -6.189 20.459 1.00 0.00 H new ATOM 1393 N THR A 91 13.339 -5.282 17.175 1.00 0.01 N ATOM 1394 CA THR A 91 13.826 -6.230 16.138 1.00 0.01 C ATOM 1395 C THR A 91 15.243 -6.680 16.498 1.00 0.01 C ATOM 1396 O THR A 91 15.596 -7.824 16.320 1.00 0.01 O ATOM 1397 CB THR A 91 13.836 -5.550 14.765 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.613 -4.851 14.578 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.981 -6.612 13.675 1.00 0.01 C ATOM 0 H THR A 91 13.169 -4.329 16.853 1.00 0.01 H new ATOM 0 HA THR A 91 13.162 -7.093 16.098 1.00 0.01 H new ATOM 0 HB THR A 91 14.671 -4.851 14.709 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.576 -4.086 15.190 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.988 -6.131 12.697 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.915 -7.156 13.819 1.00 0.01 H new ATOM 0 HG23 THR A 91 13.144 -7.307 13.731 1.00 0.01 H new ATOM 1407 N SER A 92 16.055 -5.782 17.001 1.00 0.01 N ATOM 1408 CA SER A 92 17.460 -6.150 17.365 1.00 0.01 C ATOM 1409 C SER A 92 17.455 -7.257 18.426 1.00 0.01 C ATOM 1410 O SER A 92 18.261 -8.165 18.396 1.00 0.00 O ATOM 1411 CB SER A 92 18.179 -4.923 17.927 1.00 0.01 C ATOM 1412 OG SER A 92 17.653 -4.616 19.212 1.00 0.01 O ATOM 0 H SER A 92 15.805 -4.809 17.176 1.00 0.01 H new ATOM 0 HA SER A 92 17.975 -6.506 16.473 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.250 -5.115 17.996 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.050 -4.073 17.256 1.00 0.01 H new ATOM 0 HG SER A 92 16.679 -4.523 19.153 1.00 0.01 H new ATOM 1418 N ARG A 93 16.564 -7.185 19.372 1.00 0.01 N ATOM 1419 CA ARG A 93 16.507 -8.232 20.429 1.00 0.01 C ATOM 1420 C ARG A 93 16.004 -9.545 19.823 1.00 0.01 C ATOM 1421 O ARG A 93 16.425 -10.622 20.197 1.00 0.01 O ATOM 1422 CB ARG A 93 15.557 -7.786 21.541 1.00 0.00 C ATOM 1423 CG ARG A 93 16.180 -6.614 22.302 1.00 0.01 C ATOM 1424 CD ARG A 93 15.230 -6.169 23.414 1.00 0.01 C ATOM 1425 NE ARG A 93 13.927 -5.759 22.820 1.00 0.00 N ATOM 1426 CZ ARG A 93 12.883 -5.614 23.585 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.995 -5.773 24.875 1.00 0.00 N ATOM 1428 NH2 ARG A 93 11.728 -5.301 23.064 1.00 0.01 N ATOM 0 H ARG A 93 15.869 -6.443 19.460 1.00 0.01 H new ATOM 0 HA ARG A 93 17.504 -8.382 20.843 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.597 -7.490 21.117 1.00 0.00 H new ATOM 0 HB3 ARG A 93 15.363 -8.614 22.222 1.00 0.00 H new ATOM 0 HG2 ARG A 93 17.140 -6.910 22.725 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.374 -5.785 21.621 1.00 0.01 H new ATOM 0 HD2 ARG A 93 15.078 -6.982 24.124 1.00 0.01 H new ATOM 0 HD3 ARG A 93 15.666 -5.338 23.969 1.00 0.01 H new ATOM 0 HE ARG A 93 13.853 -5.592 21.816 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.899 -6.010 25.283 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.178 -5.660 25.476 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.642 -5.170 22.056 1.00 0.01 H new ATOM 0 HH22 ARG A 93 10.911 -5.188 23.665 1.00 0.01 H new ATOM 1442 N ASN A 94 15.083 -9.456 18.904 1.00 0.01 N ATOM 1443 CA ASN A 94 14.514 -10.683 18.280 1.00 0.01 C ATOM 1444 C ASN A 94 15.593 -11.439 17.498 1.00 0.01 C ATOM 1445 O ASN A 94 15.455 -12.613 17.220 1.00 0.01 O ATOM 1446 CB ASN A 94 13.390 -10.278 17.323 1.00 0.01 C ATOM 1447 CG ASN A 94 12.204 -9.739 18.126 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.822 -8.597 17.972 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.601 -10.520 18.979 1.00 0.01 N ATOM 0 H ASN A 94 14.697 -8.578 18.556 1.00 0.01 H new ATOM 0 HA ASN A 94 14.129 -11.334 19.065 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.747 -9.519 16.627 1.00 0.01 H new ATOM 0 HB3 ASN A 94 13.079 -11.136 16.727 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.808 -10.171 19.517 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.923 -11.479 19.108 1.00 0.01 H new ATOM 1456 N MET A 95 16.660 -10.785 17.131 1.00 0.01 N ATOM 1457 CA MET A 95 17.726 -11.488 16.358 1.00 0.01 C ATOM 1458 C MET A 95 18.263 -12.653 17.188 1.00 0.01 C ATOM 1459 O MET A 95 18.609 -13.693 16.666 1.00 0.01 O ATOM 1460 CB MET A 95 18.863 -10.517 16.045 1.00 0.01 C ATOM 1461 CG MET A 95 18.272 -9.222 15.495 1.00 0.01 C ATOM 1462 SD MET A 95 17.207 -9.572 14.077 1.00 0.01 S ATOM 1463 CE MET A 95 18.494 -9.589 12.812 1.00 0.01 C ATOM 0 H MET A 95 16.841 -9.801 17.330 1.00 0.01 H new ATOM 0 HA MET A 95 17.309 -11.864 15.423 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.443 -10.314 16.945 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.546 -10.958 15.319 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.699 -8.716 16.273 1.00 0.01 H new ATOM 0 HG3 MET A 95 19.074 -8.545 15.198 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.033 -9.578 11.824 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.128 -8.710 12.927 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.099 -10.489 12.920 1.00 0.01 H new ATOM 1473 N LEU A 96 18.329 -12.488 18.480 1.00 0.01 N ATOM 1474 CA LEU A 96 18.833 -13.589 19.350 1.00 0.01 C ATOM 1475 C LEU A 96 17.886 -14.785 19.226 1.00 0.01 C ATOM 1476 O LEU A 96 18.304 -15.923 19.176 1.00 0.01 O ATOM 1477 CB LEU A 96 18.870 -13.116 20.805 1.00 0.01 C ATOM 1478 CG LEU A 96 19.801 -11.903 20.942 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.637 -11.301 22.340 1.00 0.01 C ATOM 1480 CD2 LEU A 96 21.266 -12.328 20.737 1.00 0.01 C ATOM 0 H LEU A 96 18.055 -11.637 18.972 1.00 0.01 H new ATOM 0 HA LEU A 96 19.838 -13.876 19.041 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.865 -12.852 21.135 1.00 0.01 H new ATOM 0 HB3 LEU A 96 19.216 -13.924 21.450 1.00 0.01 H new ATOM 0 HG LEU A 96 19.540 -11.165 20.184 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.296 -10.439 22.444 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.603 -10.987 22.482 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.896 -12.048 23.090 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.915 -11.458 20.837 1.00 0.01 H new ATOM 0 HD22 LEU A 96 21.538 -13.071 21.487 1.00 0.01 H new ATOM 0 HD23 LEU A 96 21.385 -12.757 19.742 1.00 0.01 H new ATOM 1492 N GLU A 97 16.608 -14.522 19.174 1.00 0.01 N ATOM 1493 CA GLU A 97 15.603 -15.619 19.048 1.00 0.01 C ATOM 1494 C GLU A 97 14.497 -15.146 18.093 1.00 0.01 C ATOM 1495 O GLU A 97 13.452 -14.707 18.529 1.00 0.01 O ATOM 1496 CB GLU A 97 14.996 -15.909 20.423 1.00 0.01 C ATOM 1497 CG GLU A 97 16.098 -16.379 21.376 1.00 0.01 C ATOM 1498 CD GLU A 97 15.466 -16.989 22.630 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.715 -17.940 22.489 1.00 0.01 O ATOM 1500 OE2 GLU A 97 15.747 -16.496 23.710 1.00 0.01 O ATOM 0 H GLU A 97 16.212 -13.583 19.214 1.00 0.01 H new ATOM 0 HA GLU A 97 16.074 -16.524 18.665 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.516 -15.013 20.817 1.00 0.01 H new ATOM 0 HB3 GLU A 97 14.223 -16.673 20.338 1.00 0.01 H new ATOM 0 HG2 GLU A 97 16.732 -17.115 20.881 1.00 0.01 H new ATOM 0 HG3 GLU A 97 16.738 -15.540 21.650 1.00 0.01 H new ATOM 1507 N PRO A 98 14.727 -15.205 16.797 1.00 0.01 N ATOM 1508 CA PRO A 98 13.707 -14.734 15.816 1.00 0.01 C ATOM 1509 C PRO A 98 12.369 -15.468 15.965 1.00 0.01 C ATOM 1510 O PRO A 98 12.319 -16.673 16.108 1.00 0.01 O ATOM 1511 CB PRO A 98 14.381 -15.024 14.458 1.00 0.00 C ATOM 1512 CG PRO A 98 15.845 -15.428 14.725 1.00 0.01 C ATOM 1513 CD PRO A 98 15.994 -15.740 16.224 1.00 0.01 C ATOM 0 HA PRO A 98 13.442 -13.685 15.949 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.855 -15.823 13.935 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.340 -14.143 13.817 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.114 -16.299 14.127 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.520 -14.623 14.436 1.00 0.01 H new ATOM 0 HD2 PRO A 98 16.101 -16.809 16.406 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.870 -15.254 16.654 1.00 0.01 H new ATOM 1521 N THR A 99 11.288 -14.731 15.933 1.00 0.01 N ATOM 1522 CA THR A 99 9.929 -15.339 16.070 1.00 0.01 C ATOM 1523 C THR A 99 9.058 -14.872 14.907 1.00 0.01 C ATOM 1524 O THR A 99 9.440 -14.015 14.137 1.00 0.01 O ATOM 1525 CB THR A 99 9.295 -14.875 17.385 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.266 -13.454 17.418 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.107 -15.400 18.568 1.00 0.00 C ATOM 0 H THR A 99 11.290 -13.718 15.816 1.00 0.01 H new ATOM 0 HA THR A 99 10.010 -16.426 16.065 1.00 0.01 H new ATOM 0 HB THR A 99 8.279 -15.263 17.452 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.347 -13.149 17.572 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.650 -15.066 19.500 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.124 -16.490 18.542 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.127 -15.019 18.507 1.00 0.00 H new ATOM 1535 N ILE A 100 7.886 -15.428 14.777 1.00 0.00 N ATOM 1536 CA ILE A 100 6.985 -15.013 13.669 1.00 0.01 C ATOM 1537 C ILE A 100 6.444 -13.611 13.966 1.00 0.01 C ATOM 1538 O ILE A 100 6.011 -12.898 13.083 1.00 0.01 O ATOM 1539 CB ILE A 100 5.824 -16.009 13.559 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.029 -15.736 12.271 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.897 -15.865 14.776 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.866 -16.094 11.030 1.00 0.01 C ATOM 0 H ILE A 100 7.514 -16.152 15.391 1.00 0.00 H new ATOM 0 HA ILE A 100 7.533 -14.999 12.727 1.00 0.01 H new ATOM 0 HB ILE A 100 6.224 -17.023 13.530 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.108 -16.319 12.275 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.741 -14.686 12.231 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.074 -16.575 14.693 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.459 -16.067 15.688 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.499 -14.851 14.812 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.286 -15.894 10.129 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.774 -15.492 11.018 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.132 -17.151 11.063 1.00 0.01 H new ATOM 1554 N THR A 101 6.464 -13.217 15.212 1.00 0.00 N ATOM 1555 CA THR A 101 5.947 -11.868 15.591 1.00 0.01 C ATOM 1556 C THR A 101 7.098 -10.856 15.617 1.00 0.01 C ATOM 1557 O THR A 101 6.930 -9.722 16.018 1.00 0.01 O ATOM 1558 CB THR A 101 5.325 -11.941 16.988 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.314 -12.355 17.920 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.169 -12.942 16.992 1.00 0.01 C ATOM 0 H THR A 101 6.818 -13.775 15.989 1.00 0.00 H new ATOM 0 HA THR A 101 5.201 -11.554 14.861 1.00 0.01 H new ATOM 0 HB THR A 101 4.946 -10.958 17.266 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.920 -12.401 18.816 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.731 -12.989 17.989 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.410 -12.624 16.277 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.540 -13.928 16.712 1.00 0.01 H new ATOM 1568 N CYS A 102 8.267 -11.261 15.209 1.00 0.00 N ATOM 1569 CA CYS A 102 9.431 -10.328 15.229 1.00 0.00 C ATOM 1570 C CYS A 102 9.170 -9.102 14.343 1.00 0.01 C ATOM 1571 O CYS A 102 9.189 -7.979 14.805 1.00 0.01 O ATOM 1572 CB CYS A 102 10.675 -11.057 14.718 1.00 0.00 C ATOM 1573 SG CYS A 102 12.021 -9.868 14.502 1.00 0.01 S ATOM 0 H CYS A 102 8.469 -12.199 14.862 1.00 0.00 H new ATOM 0 HA CYS A 102 9.583 -9.992 16.255 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.971 -11.834 15.424 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.457 -11.552 13.772 1.00 0.00 H new ATOM 0 HG CYS A 102 12.174 -9.611 13.237 1.00 0.01 H new ATOM 1579 N PHE A 103 8.958 -9.301 13.067 1.00 0.00 N ATOM 1580 CA PHE A 103 8.736 -8.138 12.147 1.00 0.01 C ATOM 1581 C PHE A 103 7.242 -7.844 11.973 1.00 0.01 C ATOM 1582 O PHE A 103 6.870 -6.885 11.325 1.00 0.00 O ATOM 1583 CB PHE A 103 9.349 -8.464 10.783 1.00 0.00 C ATOM 1584 CG PHE A 103 10.856 -8.471 10.900 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.521 -9.619 11.344 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.586 -7.327 10.561 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.917 -9.623 11.453 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.982 -7.330 10.669 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.648 -8.478 11.115 1.00 0.00 C ATOM 0 H PHE A 103 8.929 -10.217 12.620 1.00 0.00 H new ATOM 0 HA PHE A 103 9.208 -7.256 12.580 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.995 -9.435 10.436 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.034 -7.727 10.044 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.957 -10.503 11.603 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.073 -6.441 10.216 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.429 -10.509 11.798 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.545 -6.446 10.408 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.725 -8.480 11.198 1.00 0.00 H new ATOM 1599 N ASP A 104 6.377 -8.644 12.533 1.00 0.01 N ATOM 1600 CA ASP A 104 4.919 -8.370 12.370 1.00 0.01 C ATOM 1601 C ASP A 104 4.589 -7.014 12.990 1.00 0.00 C ATOM 1602 O ASP A 104 3.814 -6.245 12.457 1.00 0.01 O ATOM 1603 CB ASP A 104 4.102 -9.447 13.080 1.00 0.01 C ATOM 1604 CG ASP A 104 4.265 -10.778 12.347 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.816 -10.766 11.260 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.835 -11.784 12.884 1.00 0.00 O ATOM 0 H ASP A 104 6.611 -9.466 13.090 1.00 0.01 H new ATOM 0 HA ASP A 104 4.674 -8.369 11.308 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.433 -9.546 14.114 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.050 -9.161 13.108 1.00 0.01 H new ATOM 1611 N GLU A 105 5.177 -6.716 14.115 1.00 0.00 N ATOM 1612 CA GLU A 105 4.906 -5.411 14.777 1.00 0.00 C ATOM 1613 C GLU A 105 5.421 -4.279 13.896 1.00 0.00 C ATOM 1614 O GLU A 105 4.895 -3.185 13.905 1.00 0.01 O ATOM 1615 CB GLU A 105 5.602 -5.365 16.138 1.00 0.00 C ATOM 1616 CG GLU A 105 5.319 -4.018 16.804 1.00 0.00 C ATOM 1617 CD GLU A 105 5.798 -4.053 18.258 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.282 -5.090 18.677 1.00 0.01 O ATOM 1619 OE2 GLU A 105 5.670 -3.041 18.927 1.00 0.00 O ATOM 0 H GLU A 105 5.835 -7.322 14.605 1.00 0.00 H new ATOM 0 HA GLU A 105 3.832 -5.296 14.923 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.245 -6.178 16.770 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.676 -5.505 16.015 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.826 -3.220 16.263 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.252 -3.800 16.767 1.00 0.00 H new ATOM 1626 N ALA A 106 6.447 -4.528 13.134 1.00 0.00 N ATOM 1627 CA ALA A 106 6.983 -3.456 12.259 1.00 0.00 C ATOM 1628 C ALA A 106 5.977 -3.169 11.146 1.00 0.00 C ATOM 1629 O ALA A 106 5.697 -2.030 10.833 1.00 0.00 O ATOM 1630 CB ALA A 106 8.301 -3.916 11.639 1.00 0.00 C ATOM 0 H ALA A 106 6.934 -5.423 13.080 1.00 0.00 H new ATOM 0 HA ALA A 106 7.152 -2.554 12.847 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.695 -3.129 10.996 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.019 -4.132 12.430 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.131 -4.816 11.048 1.00 0.00 H new ATOM 1636 N GLN A 107 5.425 -4.189 10.549 1.00 0.00 N ATOM 1637 CA GLN A 107 4.435 -3.958 9.461 1.00 0.00 C ATOM 1638 C GLN A 107 3.255 -3.165 10.009 1.00 0.00 C ATOM 1639 O GLN A 107 2.733 -2.277 9.363 1.00 0.00 O ATOM 1640 CB GLN A 107 3.926 -5.295 8.928 1.00 0.00 C ATOM 1641 CG GLN A 107 2.943 -5.033 7.791 1.00 0.00 C ATOM 1642 CD GLN A 107 2.607 -6.351 7.091 1.00 0.00 C ATOM 1643 OE1 GLN A 107 1.500 -6.842 7.196 1.00 0.00 O ATOM 1644 NE2 GLN A 107 3.523 -6.956 6.383 1.00 0.00 N ATOM 0 H GLN A 107 5.615 -5.167 10.766 1.00 0.00 H new ATOM 0 HA GLN A 107 4.916 -3.403 8.656 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.760 -5.901 8.573 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.439 -5.858 9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.034 -4.574 8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.374 -4.330 7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.452 -6.545 6.294 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.309 -7.839 5.919 1.00 0.00 H new ATOM 1653 N LYS A 108 2.832 -3.478 11.201 1.00 0.00 N ATOM 1654 CA LYS A 108 1.687 -2.743 11.794 1.00 0.00 C ATOM 1655 C LYS A 108 2.062 -1.269 11.893 1.00 0.00 C ATOM 1656 O LYS A 108 1.266 -0.392 11.613 1.00 0.00 O ATOM 1657 CB LYS A 108 1.399 -3.295 13.189 1.00 0.00 C ATOM 1658 CG LYS A 108 0.200 -2.565 13.795 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.244 -3.275 15.077 1.00 0.01 C ATOM 1660 CE LYS A 108 0.844 -3.154 16.153 1.00 0.00 C ATOM 1661 NZ LYS A 108 1.902 -4.177 15.916 1.00 0.00 N ATOM 0 H LYS A 108 3.231 -4.211 11.788 1.00 0.00 H new ATOM 0 HA LYS A 108 0.798 -2.861 11.174 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.195 -4.364 13.133 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.274 -3.170 13.828 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.465 -1.531 14.014 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.622 -2.539 13.079 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.175 -2.839 15.440 1.00 0.01 H new ATOM 0 HD3 LYS A 108 -0.445 -4.326 14.869 1.00 0.01 H new ATOM 0 HE2 LYS A 108 1.280 -2.155 16.132 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.407 -3.291 17.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.149 -4.636 16.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.550 -4.892 15.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.746 -3.718 15.519 1.00 0.00 H new ATOM 1675 N LYS A 109 3.277 -0.988 12.274 1.00 0.01 N ATOM 1676 CA LYS A 109 3.713 0.427 12.374 1.00 0.00 C ATOM 1677 C LYS A 109 3.692 1.038 10.973 1.00 0.00 C ATOM 1678 O LYS A 109 3.279 2.165 10.789 1.00 0.00 O ATOM 1679 CB LYS A 109 5.129 0.499 12.960 1.00 0.00 C ATOM 1680 CG LYS A 109 5.138 -0.034 14.402 1.00 0.00 C ATOM 1681 CD LYS A 109 4.600 1.027 15.372 1.00 0.01 C ATOM 1682 CE LYS A 109 4.772 0.530 16.810 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.296 1.578 17.758 1.00 0.01 N ATOM 0 H LYS A 109 3.985 -1.680 12.520 1.00 0.01 H new ATOM 0 HA LYS A 109 3.041 0.980 13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.814 -0.085 12.345 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.485 1.529 12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.529 -0.936 14.466 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.153 -0.314 14.686 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.134 1.967 15.234 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.548 1.224 15.166 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.209 -0.392 16.957 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.819 0.298 17.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.204 1.169 18.710 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 4.980 2.361 17.782 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 3.371 1.936 17.444 1.00 0.01 H new ATOM 1697 N ILE A 110 4.114 0.303 9.976 1.00 0.00 N ATOM 1698 CA ILE A 110 4.083 0.860 8.593 1.00 0.00 C ATOM 1699 C ILE A 110 2.626 1.046 8.183 1.00 0.00 C ATOM 1700 O ILE A 110 2.256 2.070 7.647 1.00 0.00 O ATOM 1701 CB ILE A 110 4.782 -0.104 7.624 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.261 -0.274 8.021 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.688 0.430 6.191 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.972 1.087 8.093 1.00 0.00 C ATOM 0 H ILE A 110 4.474 -0.648 10.059 1.00 0.00 H new ATOM 0 HA ILE A 110 4.604 1.817 8.563 1.00 0.00 H new ATOM 0 HB ILE A 110 4.286 -1.073 7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.327 -0.774 8.987 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.765 -0.914 7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.187 -0.261 5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.640 0.526 5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.170 1.406 6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.014 0.939 8.375 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.926 1.574 7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.481 1.715 8.836 1.00 0.00 H new ATOM 1716 N PHE A 111 1.786 0.081 8.451 1.00 0.00 N ATOM 1717 CA PHE A 111 0.353 0.245 8.092 1.00 0.00 C ATOM 1718 C PHE A 111 -0.186 1.466 8.845 1.00 0.00 C ATOM 1719 O PHE A 111 -0.797 2.339 8.278 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.436 -1.020 8.513 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.650 -1.942 7.327 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.423 -2.277 6.491 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.927 -2.464 7.066 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.219 -3.128 5.397 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.128 -3.315 5.973 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.059 -3.646 5.140 1.00 0.00 C ATOM 0 H PHE A 111 2.029 -0.803 8.898 1.00 0.00 H new ATOM 0 HA PHE A 111 0.243 0.384 7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.107 -1.548 9.297 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.399 -0.730 8.932 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.407 -1.879 6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.756 -2.208 7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.046 -3.385 4.751 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.111 -3.716 5.774 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.216 -4.302 4.296 1.00 0.00 H new ATOM 1736 N ASN A 112 0.043 1.529 10.123 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.458 2.688 10.904 1.00 0.00 C ATOM 1738 C ASN A 112 0.189 3.980 10.396 1.00 0.00 C ATOM 1739 O ASN A 112 -0.452 5.001 10.279 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.106 2.483 12.376 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.952 1.342 12.946 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -2.013 1.045 12.434 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.523 0.683 13.986 1.00 0.00 N ATOM 0 H ASN A 112 0.555 0.829 10.660 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.539 2.766 10.788 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.954 2.251 12.479 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.288 3.400 12.936 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.078 -0.082 14.370 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.368 0.932 14.416 1.00 0.00 H new ATOM 1750 N LEU A 113 1.456 3.949 10.100 1.00 0.00 N ATOM 1751 CA LEU A 113 2.133 5.184 9.613 1.00 0.00 C ATOM 1752 C LEU A 113 1.521 5.641 8.285 1.00 0.00 C ATOM 1753 O LEU A 113 1.049 6.754 8.161 1.00 0.00 O ATOM 1754 CB LEU A 113 3.626 4.886 9.422 1.00 0.00 C ATOM 1755 CG LEU A 113 4.375 6.146 8.904 1.00 0.00 C ATOM 1756 CD1 LEU A 113 5.738 6.269 9.593 1.00 0.00 C ATOM 1757 CD2 LEU A 113 4.604 6.043 7.389 1.00 0.00 C ATOM 0 H LEU A 113 2.053 3.125 10.173 1.00 0.00 H new ATOM 0 HA LEU A 113 2.002 5.982 10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.061 4.561 10.367 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.751 4.066 8.715 1.00 0.00 H new ATOM 0 HG LEU A 113 3.764 7.021 9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.254 7.155 9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.595 6.356 10.670 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.336 5.384 9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.129 6.932 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.202 5.158 7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.643 5.966 6.880 1.00 0.00 H new ATOM 1769 N MET A 114 1.532 4.798 7.292 1.00 0.00 N ATOM 1770 CA MET A 114 0.961 5.193 5.975 1.00 0.00 C ATOM 1771 C MET A 114 -0.551 5.409 6.107 1.00 0.00 C ATOM 1772 O MET A 114 -1.104 6.322 5.540 1.00 0.00 O ATOM 1773 CB MET A 114 1.267 4.099 4.940 1.00 0.00 C ATOM 1774 CG MET A 114 0.504 2.815 5.284 1.00 0.00 C ATOM 1775 SD MET A 114 1.400 1.383 4.624 1.00 0.00 S ATOM 1776 CE MET A 114 0.815 1.492 2.915 1.00 0.00 C ATOM 0 H MET A 114 1.912 3.852 7.335 1.00 0.00 H new ATOM 0 HA MET A 114 1.412 6.128 5.643 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.986 4.442 3.944 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.338 3.899 4.918 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.395 2.723 6.365 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.501 2.853 4.864 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.622 1.218 2.236 1.00 0.00 H new ATOM 0 HE2 MET A 114 -0.025 0.812 2.774 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.495 2.512 2.704 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.230 4.588 6.856 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.704 4.778 7.006 1.00 0.00 C ATOM 1788 C GLU A 115 -3.000 6.156 7.612 1.00 0.00 C ATOM 1789 O GLU A 115 -3.943 6.820 7.241 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.281 3.691 7.921 1.00 0.00 C ATOM 1791 CG GLU A 115 -3.329 2.349 7.181 1.00 0.01 C ATOM 1792 CD GLU A 115 -3.571 1.227 8.190 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -3.621 1.524 9.371 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -3.711 0.092 7.767 1.00 0.01 O ATOM 0 H GLU A 115 -0.835 3.799 7.368 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.166 4.709 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.670 3.598 8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.283 3.972 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.123 2.360 6.434 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -2.393 2.180 6.649 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.226 6.584 8.559 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.499 7.907 9.189 1.00 0.00 C ATOM 1803 C LYS A 116 -2.201 9.049 8.210 1.00 0.01 C ATOM 1804 O LYS A 116 -2.909 10.037 8.174 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.620 8.060 10.435 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.061 7.068 11.522 1.00 0.00 C ATOM 1807 CD LYS A 116 -3.291 7.589 12.273 1.00 0.00 C ATOM 1808 CE LYS A 116 -3.571 6.667 13.459 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.757 7.168 14.206 1.00 0.00 N ATOM 0 H LYS A 116 -1.418 6.082 8.927 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.553 7.955 9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.576 7.886 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.688 9.080 10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.289 6.103 11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.243 6.905 12.224 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.118 8.608 12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -4.154 7.621 11.608 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.751 5.651 13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.703 6.629 14.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.949 6.541 15.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.568 8.131 14.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.584 7.183 13.575 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.143 8.943 7.441 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.782 10.051 6.495 1.00 0.00 C ATOM 1825 C ASP A 117 -1.123 9.695 5.040 1.00 0.00 C ATOM 1826 O ASP A 117 -1.545 10.538 4.278 1.00 0.00 O ATOM 1827 CB ASP A 117 0.726 10.295 6.585 1.00 0.00 C ATOM 1828 CG ASP A 117 1.068 10.920 7.940 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.172 11.462 8.564 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.221 10.841 8.330 1.00 0.00 O ATOM 0 H ASP A 117 -0.514 8.140 7.426 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.353 10.936 6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.264 9.355 6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.046 10.954 5.778 1.00 0.00 H new ATOM 1835 N SER A 118 -0.902 8.479 4.630 1.00 0.00 N ATOM 1836 CA SER A 118 -1.175 8.121 3.204 1.00 0.00 C ATOM 1837 C SER A 118 -2.679 8.080 2.911 1.00 0.00 C ATOM 1838 O SER A 118 -3.126 8.643 1.938 1.00 0.01 O ATOM 1839 CB SER A 118 -0.567 6.755 2.884 1.00 0.00 C ATOM 1840 OG SER A 118 -1.440 5.730 3.336 1.00 0.00 O ATOM 0 H SER A 118 -0.547 7.720 5.212 1.00 0.00 H new ATOM 0 HA SER A 118 -0.722 8.890 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.403 6.661 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.406 6.657 3.365 1.00 0.00 H new ATOM 0 HG SER A 118 -1.704 5.910 4.262 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.464 7.414 3.717 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.935 7.342 3.425 1.00 0.00 C ATOM 1848 C TYR A 119 -5.518 8.755 3.307 1.00 0.01 C ATOM 1849 O TYR A 119 -6.211 9.066 2.357 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.652 6.558 4.553 1.00 0.00 C ATOM 1851 CG TYR A 119 -6.337 5.318 4.007 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -7.370 5.443 3.072 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -5.944 4.047 4.441 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -8.004 4.298 2.576 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -6.583 2.911 3.945 1.00 0.01 C ATOM 1856 CZ TYR A 119 -7.609 3.036 3.017 1.00 0.00 C ATOM 1857 OH TYR A 119 -8.236 1.912 2.539 1.00 0.00 O ATOM 0 H TYR A 119 -3.159 6.921 4.556 1.00 0.01 H new ATOM 0 HA TYR A 119 -5.088 6.823 2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.929 6.271 5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.388 7.201 5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.678 6.421 2.733 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -5.145 3.946 5.161 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -8.799 4.392 1.851 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -6.279 1.931 4.283 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.401 2.013 1.578 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.251 9.612 4.250 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.808 10.987 4.154 1.00 0.01 C ATOM 1869 C ARG A 120 -5.234 11.635 2.902 1.00 0.00 C ATOM 1870 O ARG A 120 -5.920 12.310 2.169 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.403 11.800 5.395 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.866 11.086 6.675 1.00 0.01 C ATOM 1873 CD ARG A 120 -7.357 10.752 6.587 1.00 0.00 C ATOM 1874 NE ARG A 120 -8.092 11.887 5.966 1.00 0.01 N ATOM 1875 CZ ARG A 120 -9.267 11.692 5.432 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -9.771 10.489 5.373 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -9.927 12.702 4.938 1.00 0.01 N ATOM 0 H ARG A 120 -4.679 9.424 5.073 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.896 10.955 4.101 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.321 11.931 5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.844 12.796 5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.289 10.172 6.819 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.679 11.720 7.541 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -7.502 9.847 5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.753 10.551 7.582 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.677 12.819 5.958 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -9.246 9.697 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.690 10.341 4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.525 13.639 4.970 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -10.846 12.555 4.520 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.982 11.418 2.639 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.377 12.011 1.422 1.00 0.01 C ATOM 1893 C ARG A 121 -3.921 11.309 0.169 1.00 0.01 C ATOM 1894 O ARG A 121 -4.177 11.941 -0.828 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.858 11.840 1.482 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.265 12.714 2.600 1.00 0.00 C ATOM 1897 CD ARG A 121 -1.117 14.163 2.127 1.00 0.00 C ATOM 1898 NE ARG A 121 -0.425 14.947 3.187 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.049 16.130 2.915 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -0.098 16.630 1.721 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.667 16.812 3.839 1.00 0.01 N ATOM 0 H ARG A 121 -3.352 10.857 3.212 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.629 13.070 1.374 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.610 10.794 1.659 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.416 12.114 0.524 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.908 12.676 3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.293 12.322 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.548 14.200 1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.096 14.593 1.918 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.322 14.559 4.125 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.584 16.096 1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.272 17.556 1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.779 16.419 4.774 1.00 0.01 H new ATOM 0 HH22 ARG A 121 1.038 17.738 3.627 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.082 10.008 0.206 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.585 9.280 -1.000 1.00 0.01 C ATOM 1917 C PHE A 122 -5.972 9.791 -1.401 1.00 0.01 C ATOM 1918 O PHE A 122 -6.195 10.179 -2.523 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.662 7.766 -0.691 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.138 6.971 -1.858 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.775 6.692 -1.932 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -5.006 6.524 -2.858 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.269 5.960 -3.010 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.504 5.792 -3.940 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.134 5.509 -4.016 1.00 0.00 C ATOM 0 H PHE A 122 -3.887 9.421 1.017 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.897 9.456 -1.827 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.081 7.540 0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.693 7.482 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.109 7.041 -1.157 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -6.062 6.743 -2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.213 5.742 -3.067 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.172 5.446 -4.715 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.745 4.943 -4.850 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.905 9.779 -0.500 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.269 10.254 -0.856 1.00 0.00 C ATOM 1937 C LEU A 123 -8.183 11.708 -1.303 1.00 0.01 C ATOM 1938 O LEU A 123 -8.902 12.144 -2.180 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.185 10.127 0.363 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.277 8.655 0.788 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.068 8.559 2.097 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.980 7.826 -0.306 1.00 0.01 C ATOM 0 H LEU A 123 -6.787 9.464 0.463 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.678 9.651 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.799 10.730 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.178 10.510 0.126 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.272 8.260 0.934 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.137 7.516 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.560 9.133 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.070 8.960 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.039 6.784 0.008 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.986 8.214 -0.466 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.413 7.894 -1.234 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.310 12.465 -0.702 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.170 13.897 -1.082 1.00 0.01 C ATOM 1956 C LYS A 124 -6.091 14.039 -2.166 1.00 0.01 C ATOM 1957 O LYS A 124 -5.823 15.126 -2.640 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.755 14.701 0.152 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.730 14.430 1.309 1.00 0.01 C ATOM 1960 CD LYS A 124 -9.103 15.037 1.001 1.00 0.01 C ATOM 1961 CE LYS A 124 -9.925 15.152 2.290 1.00 0.01 C ATOM 1962 NZ LYS A 124 -10.307 13.791 2.759 1.00 0.01 N ATOM 0 H LYS A 124 -6.684 12.152 0.040 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.120 14.269 -1.466 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.742 14.430 0.449 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.745 15.765 -0.084 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -7.827 13.356 1.468 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.336 14.854 2.232 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -8.982 16.021 0.548 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -9.631 14.416 0.277 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -9.346 15.664 3.059 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -10.818 15.751 2.112 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -10.975 13.872 3.552 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -10.756 13.269 1.980 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -9.457 13.281 3.073 1.00 0.01 H new ATOM 1976 N SER A 125 -5.461 12.958 -2.560 1.00 0.00 N ATOM 1977 CA SER A 125 -4.397 13.059 -3.608 1.00 0.01 C ATOM 1978 C SER A 125 -5.029 13.386 -4.955 1.00 0.01 C ATOM 1979 O SER A 125 -6.151 13.018 -5.237 1.00 0.01 O ATOM 1980 CB SER A 125 -3.633 11.737 -3.740 1.00 0.01 C ATOM 1981 OG SER A 125 -4.542 10.698 -4.070 1.00 0.01 O ATOM 0 H SER A 125 -5.636 12.018 -2.205 1.00 0.00 H new ATOM 0 HA SER A 125 -3.706 13.847 -3.310 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.866 11.823 -4.510 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.122 11.505 -2.806 1.00 0.01 H new ATOM 0 HG SER A 125 -5.369 10.811 -3.556 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.304 14.059 -5.798 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.841 14.395 -7.139 1.00 0.01 C ATOM 1989 C ARG A 126 -5.152 13.097 -7.890 1.00 0.00 C ATOM 1990 O ARG A 126 -6.132 12.997 -8.600 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.804 15.203 -7.919 1.00 0.01 C ATOM 1992 CG ARG A 126 -4.390 15.597 -9.272 1.00 0.01 C ATOM 1993 CD ARG A 126 -3.409 16.516 -9.999 1.00 0.01 C ATOM 1994 NE ARG A 126 -3.946 16.855 -11.361 1.00 0.00 N ATOM 1995 CZ ARG A 126 -4.196 15.931 -12.251 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -3.839 14.694 -12.040 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -4.776 16.250 -13.375 1.00 0.01 N ATOM 0 H ARG A 126 -3.358 14.392 -5.614 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.750 14.987 -7.034 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.522 16.094 -7.358 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -2.897 14.615 -8.059 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -4.584 14.707 -9.870 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -5.346 16.103 -9.134 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -3.254 17.427 -9.422 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -2.439 16.028 -10.091 1.00 0.01 H new ATOM 0 HE ARG A 126 -4.120 17.832 -11.597 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.361 14.442 -11.175 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -4.038 13.979 -12.740 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -5.034 17.220 -13.559 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -4.972 15.530 -14.070 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.308 12.110 -7.749 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.533 10.822 -8.465 1.00 0.01 C ATOM 2013 C PHE A 127 -5.890 10.234 -8.069 1.00 0.01 C ATOM 2014 O PHE A 127 -6.714 9.935 -8.908 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.434 9.833 -8.068 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.089 10.365 -8.499 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.345 11.173 -7.629 1.00 0.00 C ATOM 2018 CD2 PHE A 127 -1.581 10.045 -9.763 1.00 0.01 C ATOM 2019 CE1 PHE A 127 -0.096 11.663 -8.026 1.00 0.00 C ATOM 2020 CE2 PHE A 127 -0.331 10.535 -10.160 1.00 0.01 C ATOM 2021 CZ PHE A 127 0.411 11.345 -9.291 1.00 0.00 C ATOM 0 H PHE A 127 -3.471 12.141 -7.167 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.514 11.001 -9.540 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.445 9.676 -6.989 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.618 8.864 -8.533 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -1.736 11.418 -6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -2.153 9.420 -10.432 1.00 0.01 H new ATOM 0 HE1 PHE A 127 0.477 12.287 -7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.061 10.289 -11.136 1.00 0.01 H new ATOM 0 HZ PHE A 127 1.375 11.724 -9.597 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.126 10.057 -6.801 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.427 9.477 -6.361 1.00 0.01 C ATOM 2033 C TYR A 128 -8.586 10.367 -6.812 1.00 0.01 C ATOM 2034 O TYR A 128 -9.584 9.891 -7.311 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.455 9.368 -4.839 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.679 8.590 -4.416 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -9.881 9.260 -4.169 1.00 0.00 C ATOM 2038 CD2 TYR A 128 -8.611 7.198 -4.268 1.00 0.01 C ATOM 2039 CE1 TYR A 128 -11.015 8.542 -3.776 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -9.745 6.481 -3.873 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.947 7.152 -3.626 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.064 6.445 -3.235 1.00 0.01 O ATOM 0 H TYR A 128 -5.476 10.288 -6.049 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.533 8.489 -6.808 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.553 8.871 -4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.469 10.362 -4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -9.934 10.333 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -7.683 6.679 -4.459 1.00 0.01 H new ATOM 0 HE1 TYR A 128 -11.944 9.060 -3.588 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -9.692 5.408 -3.759 1.00 0.01 H new ATOM 0 HH TYR A 128 -11.845 5.491 -3.180 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.479 11.651 -6.605 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.598 12.561 -6.986 1.00 0.01 C ATOM 2054 C LEU A 129 -9.882 12.469 -8.487 1.00 0.01 C ATOM 2055 O LEU A 129 -11.008 12.273 -8.897 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.215 14.000 -6.638 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.141 14.168 -5.113 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.575 15.555 -4.793 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.546 14.015 -4.486 1.00 0.01 C ATOM 0 H LEU A 129 -7.668 12.109 -6.190 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.493 12.264 -6.439 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.253 14.248 -7.087 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.948 14.691 -7.053 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.492 13.398 -4.695 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.518 15.684 -3.712 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.578 15.649 -5.222 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.226 16.320 -5.216 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.477 14.137 -3.405 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.212 14.775 -4.895 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.941 13.025 -4.715 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.882 12.600 -9.314 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.131 12.507 -10.780 1.00 0.91 C ATOM 2073 C ASP A 130 -9.716 11.137 -11.100 1.00 1.05 C ATOM 2074 O ASP A 130 -10.652 11.005 -11.860 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.819 12.698 -11.537 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.380 14.158 -11.430 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.228 14.992 -11.152 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -6.210 14.417 -11.631 1.00 3.36 O ATOM 0 H ASP A 130 -7.913 12.766 -9.042 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.833 13.284 -11.084 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.050 12.044 -11.125 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -7.946 12.421 -12.583 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.170 10.115 -10.507 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.689 8.746 -10.750 1.00 1.68 C ATOM 2085 C LEU A 131 -11.065 8.620 -10.097 1.00 2.00 C ATOM 2086 O LEU A 131 -11.967 8.007 -10.635 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.732 7.726 -10.133 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.387 7.771 -10.870 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.356 6.934 -10.099 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.544 7.230 -12.309 1.00 3.54 C ATOM 0 H LEU A 131 -8.382 10.171 -9.861 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.770 8.560 -11.821 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.586 7.943 -9.075 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -9.160 6.726 -10.197 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.044 8.804 -10.927 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.399 6.964 -10.621 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.235 7.341 -9.095 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -6.701 5.902 -10.033 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.582 7.268 -12.819 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.895 6.199 -12.274 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -8.266 7.841 -12.851 1.00 3.54 H new ATOM 2102 N THR A 132 -11.219 9.192 -8.926 1.00 2.68 N ATOM 2103 CA THR A 132 -12.519 9.117 -8.192 1.00 3.30 C ATOM 2104 C THR A 132 -13.191 10.490 -8.160 1.00 3.72 C ATOM 2105 O THR A 132 -13.258 11.136 -7.133 1.00 3.94 O ATOM 2106 CB THR A 132 -12.260 8.652 -6.749 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.743 9.740 -5.994 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.241 7.491 -6.723 1.00 4.63 C ATOM 0 H THR A 132 -10.488 9.714 -8.443 1.00 2.68 H new ATOM 0 HA THR A 132 -13.173 8.411 -8.704 1.00 3.30 H new ATOM 0 HB THR A 132 -13.200 8.304 -6.320 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.457 9.420 -5.113 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.073 7.178 -5.693 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.631 6.651 -7.298 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.299 7.824 -7.160 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.717 10.929 -9.268 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.413 12.247 -9.286 1.00 4.82 C ATOM 2118 C ASN A 133 -15.850 12.011 -8.773 1.00 5.34 C ATOM 2119 O ASN A 133 -16.480 11.051 -9.171 1.00 5.43 O ATOM 2120 CB ASN A 133 -14.462 12.776 -10.721 1.00 5.42 C ATOM 2121 CG ASN A 133 -13.044 13.114 -11.193 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -12.386 13.958 -10.619 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -12.542 12.485 -12.224 1.00 6.48 N ATOM 0 H ASN A 133 -13.696 10.435 -10.160 1.00 4.23 H new ATOM 0 HA ASN A 133 -13.892 12.973 -8.662 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -14.907 12.030 -11.379 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -15.094 13.663 -10.771 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -11.599 12.704 -12.545 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -13.094 11.776 -12.707 1.00 6.48 H new TER 2130 ASN A 133