USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1105 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 112 MET CE :methyl -139:sc= -1.02 (180deg=-1.89!) USER MOD Set 1.2: A 134 HIS : no HD1:sc= -0.227 X(o=-1.6,f=-1.4) USER MOD Set 1.3: A 135 MET CE :methyl -114:sc= -0.373 (180deg=-2.24!) USER MOD Set 2.1: A 85 THR OG1 : rot -150:sc= 1.49 USER MOD Set 2.2: A 98 GLN : amide:sc= -2.16! C(o=-0.67!,f=-7.2!) USER MOD Set 3.1: A 29 LYS NZ :NH3+ 175:sc= 0.821 (180deg=0) USER MOD Set 3.2: A 43 TYR OH : rot 25:sc= 1.96 USER MOD Set 4.1: A 12 HIS : no HD1:sc= 1.14 K(o=-2.3,f=-8.9!) USER MOD Set 4.2: A 14 GLN : amide:sc= -4.09! K(o=-2.3!,f=1.3) USER MOD Set 4.3: A 28 HIS : no HD1:sc= 0.641 K(o=-2.3,f=-9.6!) USER MOD Single : A 1 ALA N :NH3+ -153:sc= 1.17 (180deg=0.609) USER MOD Single : A 5 HIS : no HE2:sc= 0.162 K(o=0.16,f=-0.65) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0025 X(o=-0.0025,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.359 USER MOD Single : A 36 MET CE :methyl 179:sc= -0.864 (180deg=-0.871) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.46) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= 1.25 (180deg=1.2) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= -0.0106 (180deg=-0.123) USER MOD Single : A 55 TYR OH : rot 0:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.198) USER MOD Single : A 61 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.016) USER MOD Single : A 62 MET CE :methyl -179:sc= -0.923 (180deg=-0.929) USER MOD Single : A 66 SER OG : rot -20:sc= -0.0807 USER MOD Single : A 69 SER OG : rot -175:sc= -0.145 USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= 1.05 (180deg=-0.124) USER MOD Single : A 72 ASN : amide:sc= -0.522 K(o=-0.52,f=-3.2) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 109:sc= 1.11 USER MOD Single : A 87 HIS : no HD1:sc= -0.0262 K(o=-0.026,f=-1.3) USER MOD Single : A 94 SER OG : rot 176:sc= 1.34 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.021) USER MOD Single : A 110 SER OG : rot -12:sc= 1.19 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 GLN : amide:sc= -4.65! C(o=-4.7!,f=-6.5!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.354 K(o=-0.35,f=-4.2!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 85:sc= 0.176 USER MOD Single : A 125 LYS NZ :NH3+ -158:sc= 1.18 (180deg=0.54) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 TYR OH : rot -153:sc= 0.132 USER MOD Single : A 139 SER OG : rot 12:sc= 0.798 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 29.848 11.657 -3.265 1.00 0.00 N ATOM 2 CA ALA A 1 31.087 11.347 -3.985 1.00 0.00 C ATOM 3 C ALA A 1 31.895 10.381 -3.158 1.00 0.00 C ATOM 4 O ALA A 1 32.504 10.754 -2.145 1.00 0.00 O ATOM 5 CB ALA A 1 31.884 12.614 -4.276 1.00 0.00 C ATOM 0 H1 ALA A 1 29.107 11.918 -3.946 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.543 10.823 -2.724 1.00 0.00 H new ATOM 0 H3 ALA A 1 30.014 12.451 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 1 30.845 10.893 -4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.798 12.354 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 1 31.285 13.288 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 1 32.140 13.106 -3.338 1.00 0.00 H new ATOM 13 N GLU A 2 31.865 9.139 -3.551 1.00 0.00 N ATOM 14 CA GLU A 2 32.472 8.080 -2.787 1.00 0.00 C ATOM 15 C GLU A 2 33.799 7.686 -3.398 1.00 0.00 C ATOM 16 O GLU A 2 34.264 8.313 -4.352 1.00 0.00 O ATOM 17 CB GLU A 2 31.525 6.857 -2.691 1.00 0.00 C ATOM 18 CG GLU A 2 30.236 7.072 -1.869 1.00 0.00 C ATOM 19 CD GLU A 2 29.322 8.145 -2.423 1.00 0.00 C ATOM 20 OE1 GLU A 2 28.660 7.916 -3.436 1.00 0.00 O ATOM 21 OE2 GLU A 2 29.272 9.267 -1.863 1.00 0.00 O ATOM 0 H GLU A 2 31.418 8.829 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 2 32.652 8.444 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 2 31.244 6.558 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 2 32.078 6.026 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.687 6.131 -1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.509 7.334 -0.847 1.00 0.00 H new ATOM 28 N VAL A 3 34.409 6.676 -2.845 1.00 0.00 N ATOM 29 CA VAL A 3 35.682 6.180 -3.314 1.00 0.00 C ATOM 30 C VAL A 3 35.496 4.698 -3.546 1.00 0.00 C ATOM 31 O VAL A 3 34.464 4.134 -3.155 1.00 0.00 O ATOM 32 CB VAL A 3 36.797 6.355 -2.221 1.00 0.00 C ATOM 33 CG1 VAL A 3 38.204 6.269 -2.799 1.00 0.00 C ATOM 34 CG2 VAL A 3 36.613 7.614 -1.381 1.00 0.00 C ATOM 0 H VAL A 3 34.036 6.164 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 3 35.986 6.723 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 3 36.677 5.508 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 3 38.934 6.397 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 3 38.346 5.295 -3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 3 38.340 7.053 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 3 37.413 7.680 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 3 36.643 8.491 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 3 35.651 7.573 -0.870 1.00 0.00 H new ATOM 44 N GLU A 4 36.448 4.077 -4.162 1.00 0.00 N ATOM 45 CA GLU A 4 36.431 2.653 -4.324 1.00 0.00 C ATOM 46 C GLU A 4 36.841 2.073 -2.990 1.00 0.00 C ATOM 47 O GLU A 4 37.985 2.245 -2.549 1.00 0.00 O ATOM 48 CB GLU A 4 37.385 2.225 -5.431 1.00 0.00 C ATOM 49 CG GLU A 4 37.014 2.756 -6.804 1.00 0.00 C ATOM 50 CD GLU A 4 35.637 2.331 -7.231 1.00 0.00 C ATOM 51 OE1 GLU A 4 35.476 1.192 -7.713 1.00 0.00 O ATOM 52 OE2 GLU A 4 34.687 3.140 -7.126 1.00 0.00 O ATOM 0 H GLU A 4 37.261 4.539 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 4 35.443 2.296 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 4 38.391 2.563 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 4 37.416 1.136 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 4 37.069 3.845 -6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 4 37.742 2.405 -7.535 1.00 0.00 H new ATOM 59 N HIS A 5 35.907 1.459 -2.327 1.00 0.00 N ATOM 60 CA HIS A 5 36.129 1.025 -0.973 1.00 0.00 C ATOM 61 C HIS A 5 36.560 -0.406 -0.921 1.00 0.00 C ATOM 62 O HIS A 5 36.474 -1.151 -1.906 1.00 0.00 O ATOM 63 CB HIS A 5 34.880 1.152 -0.125 1.00 0.00 C ATOM 64 CG HIS A 5 34.208 2.496 -0.128 1.00 0.00 C ATOM 65 ND1 HIS A 5 32.902 2.700 -0.532 1.00 0.00 N ATOM 66 CD2 HIS A 5 34.665 3.703 0.283 1.00 0.00 C ATOM 67 CE1 HIS A 5 32.612 3.990 -0.354 1.00 0.00 C ATOM 68 NE2 HIS A 5 33.650 4.650 0.140 1.00 0.00 N ATOM 0 H HIS A 5 34.982 1.245 -2.699 1.00 0.00 H new ATOM 0 HA HIS A 5 36.912 1.673 -0.580 1.00 0.00 H new ATOM 0 HB2 HIS A 5 34.159 0.408 -0.464 1.00 0.00 H new ATOM 0 HB3 HIS A 5 35.138 0.900 0.904 1.00 0.00 H new ATOM 0 HD1 HIS A 5 32.271 1.989 -0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 5 35.657 3.901 0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 5 31.656 4.438 -0.583 1.00 0.00 H new ATOM 76 N TYR A 6 37.004 -0.771 0.236 1.00 0.00 N ATOM 77 CA TYR A 6 37.448 -2.091 0.553 1.00 0.00 C ATOM 78 C TYR A 6 36.444 -2.681 1.508 1.00 0.00 C ATOM 79 O TYR A 6 36.212 -3.880 1.546 1.00 0.00 O ATOM 80 CB TYR A 6 38.814 -1.991 1.225 1.00 0.00 C ATOM 81 CG TYR A 6 39.903 -1.425 0.337 1.00 0.00 C ATOM 82 CD1 TYR A 6 39.815 -0.134 -0.181 1.00 0.00 C ATOM 83 CD2 TYR A 6 41.020 -2.174 0.033 1.00 0.00 C ATOM 84 CE1 TYR A 6 40.804 0.377 -0.986 1.00 0.00 C ATOM 85 CE2 TYR A 6 42.014 -1.671 -0.769 1.00 0.00 C ATOM 86 CZ TYR A 6 41.904 -0.399 -1.277 1.00 0.00 C ATOM 87 OH TYR A 6 42.901 0.094 -2.084 1.00 0.00 O ATOM 0 H TYR A 6 37.071 -0.127 1.025 1.00 0.00 H new ATOM 0 HA TYR A 6 37.534 -2.715 -0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 6 38.724 -1.366 2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 6 39.114 -2.983 1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 6 38.955 0.475 0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 6 41.114 -3.173 0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 6 40.720 1.377 -1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 6 42.880 -2.273 -1.000 1.00 0.00 H new ATOM 0 HH TYR A 6 43.603 -0.582 -2.186 1.00 0.00 H new ATOM 97 N GLU A 7 35.863 -1.806 2.280 1.00 0.00 N ATOM 98 CA GLU A 7 34.829 -2.140 3.202 1.00 0.00 C ATOM 99 C GLU A 7 33.528 -1.837 2.521 1.00 0.00 C ATOM 100 O GLU A 7 33.362 -0.740 1.984 1.00 0.00 O ATOM 101 CB GLU A 7 34.927 -1.237 4.411 1.00 0.00 C ATOM 102 CG GLU A 7 36.250 -1.268 5.122 1.00 0.00 C ATOM 103 CD GLU A 7 36.350 -0.135 6.083 1.00 0.00 C ATOM 104 OE1 GLU A 7 36.813 0.956 5.670 1.00 0.00 O ATOM 105 OE2 GLU A 7 35.946 -0.284 7.254 1.00 0.00 O ATOM 0 H GLU A 7 36.107 -0.816 2.281 1.00 0.00 H new ATOM 0 HA GLU A 7 34.907 -3.184 3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 7 34.724 -0.213 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 7 34.145 -1.515 5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 7 36.363 -2.214 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 7 37.061 -1.210 4.396 1.00 0.00 H new ATOM 112 N PRO A 8 32.604 -2.767 2.475 1.00 0.00 N ATOM 113 CA PRO A 8 31.321 -2.494 1.908 1.00 0.00 C ATOM 114 C PRO A 8 30.447 -1.717 2.889 1.00 0.00 C ATOM 115 O PRO A 8 30.834 -1.468 4.034 1.00 0.00 O ATOM 116 CB PRO A 8 30.745 -3.856 1.641 1.00 0.00 C ATOM 117 CG PRO A 8 31.357 -4.727 2.684 1.00 0.00 C ATOM 118 CD PRO A 8 32.724 -4.159 2.953 1.00 0.00 C ATOM 0 HA PRO A 8 31.382 -1.880 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 8 29.658 -3.850 1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 8 30.993 -4.203 0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 8 30.752 -4.733 3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 8 31.425 -5.759 2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 8 32.978 -4.202 4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 8 33.501 -4.705 2.417 1.00 0.00 H new ATOM 126 N LEU A 9 29.282 -1.389 2.467 1.00 0.00 N ATOM 127 CA LEU A 9 28.413 -0.536 3.244 1.00 0.00 C ATOM 128 C LEU A 9 27.233 -1.345 3.691 1.00 0.00 C ATOM 129 O LEU A 9 26.497 -1.825 2.856 1.00 0.00 O ATOM 130 CB LEU A 9 27.923 0.638 2.354 1.00 0.00 C ATOM 131 CG LEU A 9 27.577 1.988 3.042 1.00 0.00 C ATOM 132 CD1 LEU A 9 26.410 1.870 4.004 1.00 0.00 C ATOM 133 CD2 LEU A 9 28.796 2.563 3.746 1.00 0.00 C ATOM 0 H LEU A 9 28.889 -1.695 1.577 1.00 0.00 H new ATOM 0 HA LEU A 9 28.946 -0.138 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.693 0.833 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.036 0.301 1.817 1.00 0.00 H new ATOM 0 HG LEU A 9 27.269 2.674 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 9 26.211 2.842 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 9 25.525 1.534 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 9 26.654 1.150 4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 9 28.530 3.508 4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.143 1.861 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 9 29.590 2.733 3.019 1.00 0.00 H new ATOM 145 N GLN A 10 27.081 -1.533 4.981 1.00 0.00 N ATOM 146 CA GLN A 10 25.925 -2.220 5.518 1.00 0.00 C ATOM 147 C GLN A 10 24.706 -1.327 5.442 1.00 0.00 C ATOM 148 O GLN A 10 24.494 -0.453 6.293 1.00 0.00 O ATOM 149 CB GLN A 10 26.150 -2.691 6.949 1.00 0.00 C ATOM 150 CG GLN A 10 27.028 -3.903 7.084 1.00 0.00 C ATOM 151 CD GLN A 10 27.198 -4.353 8.534 1.00 0.00 C ATOM 152 OE1 GLN A 10 27.168 -3.542 9.468 1.00 0.00 O ATOM 153 NE2 GLN A 10 27.351 -5.633 8.741 1.00 0.00 N ATOM 0 H GLN A 10 27.748 -1.218 5.685 1.00 0.00 H new ATOM 0 HA GLN A 10 25.760 -3.108 4.908 1.00 0.00 H new ATOM 0 HB2 GLN A 10 26.592 -1.874 7.520 1.00 0.00 H new ATOM 0 HB3 GLN A 10 25.182 -2.909 7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 10 26.603 -4.721 6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 10 28.008 -3.685 6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 10 27.372 -6.278 7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 10 27.450 -5.988 9.692 1.00 0.00 H new ATOM 162 N VAL A 11 23.957 -1.512 4.408 1.00 0.00 N ATOM 163 CA VAL A 11 22.778 -0.729 4.152 1.00 0.00 C ATOM 164 C VAL A 11 21.577 -1.464 4.692 1.00 0.00 C ATOM 165 O VAL A 11 21.344 -2.610 4.333 1.00 0.00 O ATOM 166 CB VAL A 11 22.541 -0.525 2.630 1.00 0.00 C ATOM 167 CG1 VAL A 11 21.405 0.442 2.378 1.00 0.00 C ATOM 168 CG2 VAL A 11 23.792 -0.085 1.904 1.00 0.00 C ATOM 0 H VAL A 11 24.143 -2.222 3.700 1.00 0.00 H new ATOM 0 HA VAL A 11 22.917 0.241 4.630 1.00 0.00 H new ATOM 0 HB VAL A 11 22.262 -1.498 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 11 21.263 0.565 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.490 0.052 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.643 1.407 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.572 0.043 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.140 0.861 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.568 -0.841 2.024 1.00 0.00 H new ATOM 178 N HIS A 12 20.836 -0.824 5.527 1.00 0.00 N ATOM 179 CA HIS A 12 19.619 -1.382 6.024 1.00 0.00 C ATOM 180 C HIS A 12 18.505 -0.791 5.179 1.00 0.00 C ATOM 181 O HIS A 12 18.221 0.403 5.250 1.00 0.00 O ATOM 182 CB HIS A 12 19.439 -1.029 7.520 1.00 0.00 C ATOM 183 CG HIS A 12 18.248 -1.672 8.199 1.00 0.00 C ATOM 184 ND1 HIS A 12 18.349 -2.622 9.196 1.00 0.00 N ATOM 185 CD2 HIS A 12 16.920 -1.439 8.050 1.00 0.00 C ATOM 186 CE1 HIS A 12 17.119 -2.922 9.607 1.00 0.00 C ATOM 187 NE2 HIS A 12 16.214 -2.231 8.944 1.00 0.00 N ATOM 0 H HIS A 12 21.054 0.105 5.888 1.00 0.00 H new ATOM 0 HA HIS A 12 19.617 -2.470 5.957 1.00 0.00 H new ATOM 0 HB2 HIS A 12 20.342 -1.320 8.056 1.00 0.00 H new ATOM 0 HB3 HIS A 12 19.348 0.053 7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 12 16.482 -0.747 7.347 1.00 0.00 H new ATOM 0 HE1 HIS A 12 16.892 -3.638 10.383 1.00 0.00 H new ATOM 0 HE2 HIS A 12 15.202 -2.270 9.064 1.00 0.00 H new ATOM 195 N VAL A 13 17.950 -1.596 4.333 1.00 0.00 N ATOM 196 CA VAL A 13 16.930 -1.167 3.431 1.00 0.00 C ATOM 197 C VAL A 13 15.575 -1.569 3.935 1.00 0.00 C ATOM 198 O VAL A 13 15.383 -2.683 4.449 1.00 0.00 O ATOM 199 CB VAL A 13 17.142 -1.729 1.991 1.00 0.00 C ATOM 200 CG1 VAL A 13 18.468 -1.295 1.445 1.00 0.00 C ATOM 201 CG2 VAL A 13 17.052 -3.236 1.938 1.00 0.00 C ATOM 0 H VAL A 13 18.195 -2.582 4.247 1.00 0.00 H new ATOM 0 HA VAL A 13 16.992 -0.080 3.379 1.00 0.00 H new ATOM 0 HB VAL A 13 16.336 -1.323 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.597 -1.697 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 13 18.508 -0.206 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 13 19.266 -1.665 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.207 -3.574 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 13 17.817 -3.669 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 13 16.067 -3.554 2.280 1.00 0.00 H new ATOM 211 N GLN A 14 14.659 -0.663 3.846 1.00 0.00 N ATOM 212 CA GLN A 14 13.305 -0.972 4.167 1.00 0.00 C ATOM 213 C GLN A 14 12.592 -1.039 2.852 1.00 0.00 C ATOM 214 O GLN A 14 12.488 -0.029 2.145 1.00 0.00 O ATOM 215 CB GLN A 14 12.659 0.088 5.049 1.00 0.00 C ATOM 216 CG GLN A 14 11.567 -0.478 5.957 1.00 0.00 C ATOM 217 CD GLN A 14 10.750 0.582 6.677 1.00 0.00 C ATOM 218 OE1 GLN A 14 10.346 0.400 7.820 1.00 0.00 O ATOM 219 NE2 GLN A 14 10.399 1.627 5.990 1.00 0.00 N ATOM 0 H GLN A 14 14.824 0.300 3.553 1.00 0.00 H new ATOM 0 HA GLN A 14 13.252 -1.904 4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.426 0.560 5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.232 0.867 4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.896 -1.095 5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.027 -1.132 6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.750 1.755 5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.773 2.320 6.400 1.00 0.00 H new ATOM 228 N LEU A 15 12.182 -2.204 2.488 1.00 0.00 N ATOM 229 CA LEU A 15 11.546 -2.412 1.233 1.00 0.00 C ATOM 230 C LEU A 15 10.056 -2.475 1.437 1.00 0.00 C ATOM 231 O LEU A 15 9.547 -3.385 2.106 1.00 0.00 O ATOM 232 CB LEU A 15 12.059 -3.702 0.592 1.00 0.00 C ATOM 233 CG LEU A 15 13.574 -3.786 0.369 1.00 0.00 C ATOM 234 CD1 LEU A 15 13.963 -5.138 -0.195 1.00 0.00 C ATOM 235 CD2 LEU A 15 14.071 -2.658 -0.530 1.00 0.00 C ATOM 0 H LEU A 15 12.279 -3.045 3.056 1.00 0.00 H new ATOM 0 HA LEU A 15 11.778 -1.584 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.757 -4.541 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.563 -3.828 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 15 14.056 -3.670 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.042 -5.173 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.668 -5.922 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.459 -5.293 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.149 -2.749 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.576 -2.720 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.844 -1.697 -0.068 1.00 0.00 H new ATOM 247 N GLU A 16 9.372 -1.502 0.915 1.00 0.00 N ATOM 248 CA GLU A 16 7.937 -1.436 1.028 1.00 0.00 C ATOM 249 C GLU A 16 7.325 -1.974 -0.238 1.00 0.00 C ATOM 250 O GLU A 16 7.668 -1.535 -1.337 1.00 0.00 O ATOM 251 CB GLU A 16 7.479 0.008 1.220 1.00 0.00 C ATOM 252 CG GLU A 16 8.088 0.723 2.410 1.00 0.00 C ATOM 253 CD GLU A 16 7.666 2.173 2.462 1.00 0.00 C ATOM 254 OE1 GLU A 16 8.015 2.931 1.545 1.00 0.00 O ATOM 255 OE2 GLU A 16 6.955 2.579 3.406 1.00 0.00 O ATOM 0 H GLU A 16 9.789 -0.728 0.397 1.00 0.00 H new ATOM 0 HA GLU A 16 7.623 -2.025 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.716 0.571 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.394 0.018 1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.786 0.222 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.175 0.661 2.355 1.00 0.00 H new ATOM 262 N LYS A 17 6.452 -2.916 -0.105 1.00 0.00 N ATOM 263 CA LYS A 17 5.760 -3.462 -1.240 1.00 0.00 C ATOM 264 C LYS A 17 4.411 -2.813 -1.262 1.00 0.00 C ATOM 265 O LYS A 17 3.539 -3.191 -0.498 1.00 0.00 O ATOM 266 CB LYS A 17 5.597 -4.971 -1.077 1.00 0.00 C ATOM 267 CG LYS A 17 6.898 -5.746 -0.953 1.00 0.00 C ATOM 268 CD LYS A 17 7.627 -5.869 -2.275 1.00 0.00 C ATOM 269 CE LYS A 17 8.929 -6.610 -2.082 1.00 0.00 C ATOM 270 NZ LYS A 17 9.545 -7.045 -3.347 1.00 0.00 N ATOM 0 H LYS A 17 6.194 -3.333 0.789 1.00 0.00 H new ATOM 0 HA LYS A 17 6.311 -3.279 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.991 -5.163 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.042 -5.356 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.545 -5.250 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.688 -6.742 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.003 -6.397 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.821 -4.878 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.629 -5.968 -1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.753 -7.483 -1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.434 -7.546 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.894 -7.682 -3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.743 -6.214 -3.940 1.00 0.00 H new ATOM 284 N VAL A 18 4.240 -1.816 -2.075 1.00 0.00 N ATOM 285 CA VAL A 18 3.011 -1.081 -2.061 1.00 0.00 C ATOM 286 C VAL A 18 2.029 -1.698 -3.018 1.00 0.00 C ATOM 287 O VAL A 18 2.233 -1.702 -4.227 1.00 0.00 O ATOM 288 CB VAL A 18 3.224 0.421 -2.371 1.00 0.00 C ATOM 289 CG1 VAL A 18 1.898 1.179 -2.343 1.00 0.00 C ATOM 290 CG2 VAL A 18 4.202 1.027 -1.370 1.00 0.00 C ATOM 0 H VAL A 18 4.931 -1.493 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 18 2.603 -1.136 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 18 3.642 0.509 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.076 2.231 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.224 0.760 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.447 1.087 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.346 2.084 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.802 0.923 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.158 0.508 -1.436 1.00 0.00 H new ATOM 300 N TYR A 19 1.017 -2.292 -2.469 1.00 0.00 N ATOM 301 CA TYR A 19 -0.028 -2.907 -3.238 1.00 0.00 C ATOM 302 C TYR A 19 -1.167 -1.927 -3.370 1.00 0.00 C ATOM 303 O TYR A 19 -1.225 -0.933 -2.633 1.00 0.00 O ATOM 304 CB TYR A 19 -0.546 -4.155 -2.519 1.00 0.00 C ATOM 305 CG TYR A 19 0.459 -5.262 -2.322 1.00 0.00 C ATOM 306 CD1 TYR A 19 1.385 -5.217 -1.294 1.00 0.00 C ATOM 307 CD2 TYR A 19 0.463 -6.366 -3.153 1.00 0.00 C ATOM 308 CE1 TYR A 19 2.288 -6.236 -1.113 1.00 0.00 C ATOM 309 CE2 TYR A 19 1.355 -7.391 -2.976 1.00 0.00 C ATOM 310 CZ TYR A 19 2.269 -7.322 -1.953 1.00 0.00 C ATOM 311 OH TYR A 19 3.169 -8.349 -1.758 1.00 0.00 O ATOM 0 H TYR A 19 0.888 -2.367 -1.460 1.00 0.00 H new ATOM 0 HA TYR A 19 0.362 -3.187 -4.217 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.927 -3.857 -1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.390 -4.552 -3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.398 -4.369 -0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.253 -6.422 -3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.011 -6.183 -0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.340 -8.246 -3.635 1.00 0.00 H new ATOM 0 HH TYR A 19 3.025 -9.043 -2.435 1.00 0.00 H new ATOM 321 N LEU A 20 -2.086 -2.210 -4.278 1.00 0.00 N ATOM 322 CA LEU A 20 -3.303 -1.393 -4.437 1.00 0.00 C ATOM 323 C LEU A 20 -4.147 -1.622 -3.208 1.00 0.00 C ATOM 324 O LEU A 20 -4.764 -0.721 -2.666 1.00 0.00 O ATOM 325 CB LEU A 20 -4.141 -1.839 -5.663 1.00 0.00 C ATOM 326 CG LEU A 20 -3.560 -1.695 -7.082 1.00 0.00 C ATOM 327 CD1 LEU A 20 -2.327 -2.549 -7.288 1.00 0.00 C ATOM 328 CD2 LEU A 20 -4.619 -2.074 -8.097 1.00 0.00 C ATOM 0 H LEU A 20 -2.023 -2.998 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.015 -0.351 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.392 -2.890 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.077 -1.281 -5.637 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.260 -0.655 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.955 -2.412 -8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.556 -2.253 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.581 -3.598 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.211 -1.973 -9.103 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.928 -3.106 -7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.481 -1.415 -7.987 1.00 0.00 H new ATOM 340 N ASP A 21 -4.033 -2.853 -2.779 1.00 0.00 N ATOM 341 CA ASP A 21 -4.712 -3.524 -1.679 1.00 0.00 C ATOM 342 C ASP A 21 -4.841 -2.677 -0.417 1.00 0.00 C ATOM 343 O ASP A 21 -5.899 -2.622 0.210 1.00 0.00 O ATOM 344 CB ASP A 21 -3.839 -4.710 -1.378 1.00 0.00 C ATOM 345 CG ASP A 21 -4.404 -5.679 -0.425 1.00 0.00 C ATOM 346 OD1 ASP A 21 -4.128 -5.564 0.784 1.00 0.00 O ATOM 347 OD2 ASP A 21 -5.007 -6.627 -0.885 1.00 0.00 O ATOM 0 H ASP A 21 -3.387 -3.492 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.735 -3.765 -1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.622 -5.228 -2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.888 -4.350 -0.985 1.00 0.00 H new ATOM 352 N GLY A 22 -3.770 -2.036 -0.043 1.00 0.00 N ATOM 353 CA GLY A 22 -3.777 -1.262 1.157 1.00 0.00 C ATOM 354 C GLY A 22 -2.823 -1.828 2.151 1.00 0.00 C ATOM 355 O GLY A 22 -2.274 -1.104 2.984 1.00 0.00 O ATOM 0 H GLY A 22 -2.886 -2.036 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.507 -0.230 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.782 -1.244 1.579 1.00 0.00 H new ATOM 359 N ASP A 23 -2.639 -3.122 2.091 1.00 0.00 N ATOM 360 CA ASP A 23 -1.651 -3.778 2.912 1.00 0.00 C ATOM 361 C ASP A 23 -0.328 -3.735 2.174 1.00 0.00 C ATOM 362 O ASP A 23 -0.285 -3.931 0.962 1.00 0.00 O ATOM 363 CB ASP A 23 -2.076 -5.223 3.248 1.00 0.00 C ATOM 364 CG ASP A 23 -1.047 -5.999 4.047 1.00 0.00 C ATOM 365 OD1 ASP A 23 -0.663 -5.562 5.149 1.00 0.00 O ATOM 366 OD2 ASP A 23 -0.631 -7.089 3.603 1.00 0.00 O ATOM 0 H ASP A 23 -3.164 -3.747 1.478 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.551 -3.262 3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.010 -5.195 3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.278 -5.757 2.319 1.00 0.00 H new ATOM 371 N VAL A 24 0.715 -3.402 2.872 1.00 0.00 N ATOM 372 CA VAL A 24 2.034 -3.281 2.297 1.00 0.00 C ATOM 373 C VAL A 24 3.015 -4.093 3.088 1.00 0.00 C ATOM 374 O VAL A 24 3.064 -4.006 4.319 1.00 0.00 O ATOM 375 CB VAL A 24 2.485 -1.772 2.134 1.00 0.00 C ATOM 376 CG1 VAL A 24 1.915 -0.918 3.229 1.00 0.00 C ATOM 377 CG2 VAL A 24 4.007 -1.614 2.128 1.00 0.00 C ATOM 0 H VAL A 24 0.681 -3.202 3.872 1.00 0.00 H new ATOM 0 HA VAL A 24 2.002 -3.684 1.285 1.00 0.00 H new ATOM 0 HB VAL A 24 2.100 -1.445 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.240 0.113 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.826 -0.962 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.264 -1.284 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.263 -0.561 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.415 -1.987 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.428 -2.182 1.299 1.00 0.00 H new ATOM 387 N SER A 25 3.765 -4.896 2.397 1.00 0.00 N ATOM 388 CA SER A 25 4.726 -5.728 3.027 1.00 0.00 C ATOM 389 C SER A 25 5.959 -4.921 3.304 1.00 0.00 C ATOM 390 O SER A 25 6.509 -4.276 2.402 1.00 0.00 O ATOM 391 CB SER A 25 5.030 -6.963 2.169 1.00 0.00 C ATOM 392 OG SER A 25 5.954 -7.840 2.801 1.00 0.00 O ATOM 0 H SER A 25 3.723 -4.988 1.382 1.00 0.00 H new ATOM 0 HA SER A 25 4.330 -6.097 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.103 -7.499 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.432 -6.645 1.207 1.00 0.00 H new ATOM 0 HG SER A 25 6.119 -8.614 2.223 1.00 0.00 H new ATOM 398 N ILE A 26 6.338 -4.894 4.548 1.00 0.00 N ATOM 399 CA ILE A 26 7.495 -4.188 4.968 1.00 0.00 C ATOM 400 C ILE A 26 8.597 -5.191 5.207 1.00 0.00 C ATOM 401 O ILE A 26 8.489 -6.058 6.095 1.00 0.00 O ATOM 402 CB ILE A 26 7.236 -3.363 6.257 1.00 0.00 C ATOM 403 CG1 ILE A 26 6.097 -2.348 6.049 1.00 0.00 C ATOM 404 CG2 ILE A 26 8.500 -2.650 6.701 1.00 0.00 C ATOM 405 CD1 ILE A 26 6.332 -1.367 4.925 1.00 0.00 C ATOM 0 H ILE A 26 5.842 -5.369 5.302 1.00 0.00 H new ATOM 0 HA ILE A 26 7.778 -3.479 4.190 1.00 0.00 H new ATOM 0 HB ILE A 26 6.933 -4.058 7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.173 -2.892 5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.949 -1.792 6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.296 -2.078 7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.280 -3.384 6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.833 -1.975 5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.481 -0.690 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.236 -0.792 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.449 -1.910 3.987 1.00 0.00 H new ATOM 417 N GLU A 27 9.604 -5.093 4.414 1.00 0.00 N ATOM 418 CA GLU A 27 10.730 -5.966 4.472 1.00 0.00 C ATOM 419 C GLU A 27 11.949 -5.179 4.908 1.00 0.00 C ATOM 420 O GLU A 27 12.066 -3.990 4.609 1.00 0.00 O ATOM 421 CB GLU A 27 10.959 -6.571 3.087 1.00 0.00 C ATOM 422 CG GLU A 27 12.237 -7.366 2.944 1.00 0.00 C ATOM 423 CD GLU A 27 12.234 -8.638 3.749 1.00 0.00 C ATOM 424 OE1 GLU A 27 12.386 -8.580 4.984 1.00 0.00 O ATOM 425 OE2 GLU A 27 12.082 -9.724 3.158 1.00 0.00 O ATOM 0 H GLU A 27 9.673 -4.384 3.684 1.00 0.00 H new ATOM 0 HA GLU A 27 10.551 -6.767 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.116 -7.219 2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.964 -5.767 2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.391 -7.609 1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.079 -6.748 3.255 1.00 0.00 H new ATOM 432 N HIS A 28 12.839 -5.834 5.600 1.00 0.00 N ATOM 433 CA HIS A 28 14.053 -5.224 6.079 1.00 0.00 C ATOM 434 C HIS A 28 15.200 -6.090 5.709 1.00 0.00 C ATOM 435 O HIS A 28 15.272 -7.254 6.109 1.00 0.00 O ATOM 436 CB HIS A 28 14.058 -5.008 7.601 1.00 0.00 C ATOM 437 CG HIS A 28 13.088 -3.989 8.098 1.00 0.00 C ATOM 438 ND1 HIS A 28 13.436 -2.884 8.835 1.00 0.00 N ATOM 439 CD2 HIS A 28 11.763 -3.958 7.991 1.00 0.00 C ATOM 440 CE1 HIS A 28 12.328 -2.233 9.156 1.00 0.00 C ATOM 441 NE2 HIS A 28 11.269 -2.848 8.664 1.00 0.00 N ATOM 0 H HIS A 28 12.743 -6.818 5.851 1.00 0.00 H new ATOM 0 HA HIS A 28 14.129 -4.240 5.616 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.844 -5.959 8.088 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.061 -4.712 7.907 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.163 -4.684 7.462 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.296 -1.325 9.740 1.00 0.00 H new ATOM 0 HE2 HIS A 28 10.293 -2.567 8.758 1.00 0.00 H new ATOM 449 N LYS A 29 16.059 -5.564 4.928 1.00 0.00 N ATOM 450 CA LYS A 29 17.244 -6.265 4.544 1.00 0.00 C ATOM 451 C LYS A 29 18.434 -5.463 4.897 1.00 0.00 C ATOM 452 O LYS A 29 18.357 -4.249 5.034 1.00 0.00 O ATOM 453 CB LYS A 29 17.345 -6.516 3.055 1.00 0.00 C ATOM 454 CG LYS A 29 16.316 -7.402 2.422 1.00 0.00 C ATOM 455 CD LYS A 29 16.904 -7.977 1.150 1.00 0.00 C ATOM 456 CE LYS A 29 17.235 -6.884 0.131 1.00 0.00 C ATOM 457 NZ LYS A 29 17.791 -7.414 -1.129 1.00 0.00 N ATOM 0 H LYS A 29 15.971 -4.630 4.528 1.00 0.00 H new ATOM 0 HA LYS A 29 17.197 -7.219 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.311 -5.551 2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.326 -6.947 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.032 -8.202 3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.411 -6.836 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.808 -8.537 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.199 -8.682 0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.331 -6.315 -0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.950 -6.189 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.915 -6.636 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.712 -7.860 -0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.139 -8.120 -1.527 1.00 0.00 H new ATOM 471 N HIS A 30 19.512 -6.127 5.033 1.00 0.00 N ATOM 472 CA HIS A 30 20.769 -5.479 5.202 1.00 0.00 C ATOM 473 C HIS A 30 21.679 -5.952 4.092 1.00 0.00 C ATOM 474 O HIS A 30 21.875 -7.157 3.923 1.00 0.00 O ATOM 475 CB HIS A 30 21.380 -5.674 6.628 1.00 0.00 C ATOM 476 CG HIS A 30 21.740 -7.087 7.042 1.00 0.00 C ATOM 477 ND1 HIS A 30 20.960 -7.878 7.852 1.00 0.00 N ATOM 478 CD2 HIS A 30 22.851 -7.819 6.771 1.00 0.00 C ATOM 479 CE1 HIS A 30 21.594 -9.031 8.049 1.00 0.00 C ATOM 480 NE2 HIS A 30 22.757 -9.052 7.410 1.00 0.00 N ATOM 0 H HIS A 30 19.559 -7.146 5.032 1.00 0.00 H new ATOM 0 HA HIS A 30 20.636 -4.400 5.131 1.00 0.00 H new ATOM 0 HB2 HIS A 30 22.280 -5.063 6.696 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.671 -5.279 7.356 1.00 0.00 H new ATOM 0 HD2 HIS A 30 23.678 -7.495 6.156 1.00 0.00 H new ATOM 0 HE1 HIS A 30 21.212 -9.843 8.650 1.00 0.00 H new ATOM 0 HE2 HIS A 30 23.438 -9.811 7.391 1.00 0.00 H new ATOM 488 N GLU A 31 22.147 -5.064 3.276 1.00 0.00 N ATOM 489 CA GLU A 31 23.021 -5.468 2.221 1.00 0.00 C ATOM 490 C GLU A 31 24.249 -4.613 2.185 1.00 0.00 C ATOM 491 O GLU A 31 24.184 -3.412 2.383 1.00 0.00 O ATOM 492 CB GLU A 31 22.285 -5.521 0.887 1.00 0.00 C ATOM 493 CG GLU A 31 21.683 -4.223 0.411 1.00 0.00 C ATOM 494 CD GLU A 31 20.798 -4.461 -0.780 1.00 0.00 C ATOM 495 OE1 GLU A 31 21.319 -4.604 -1.913 1.00 0.00 O ATOM 496 OE2 GLU A 31 19.580 -4.581 -0.607 1.00 0.00 O ATOM 0 H GLU A 31 21.943 -4.066 3.317 1.00 0.00 H new ATOM 0 HA GLU A 31 23.361 -6.484 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 31 22.979 -5.877 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 31 21.489 -6.261 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 31 21.106 -3.766 1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 31 22.475 -3.522 0.149 1.00 0.00 H new ATOM 503 N LYS A 32 25.371 -5.246 1.997 1.00 0.00 N ATOM 504 CA LYS A 32 26.636 -4.578 1.977 1.00 0.00 C ATOM 505 C LYS A 32 27.038 -4.236 0.564 1.00 0.00 C ATOM 506 O LYS A 32 27.280 -5.121 -0.252 1.00 0.00 O ATOM 507 CB LYS A 32 27.686 -5.441 2.624 1.00 0.00 C ATOM 508 CG LYS A 32 27.523 -5.640 4.118 1.00 0.00 C ATOM 509 CD LYS A 32 28.663 -6.480 4.679 1.00 0.00 C ATOM 510 CE LYS A 32 28.891 -7.719 3.837 1.00 0.00 C ATOM 511 NZ LYS A 32 29.921 -8.614 4.393 1.00 0.00 N ATOM 0 H LYS A 32 25.432 -6.254 1.852 1.00 0.00 H new ATOM 0 HA LYS A 32 26.545 -3.649 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 32 27.680 -6.418 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 32 28.664 -4.998 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.499 -4.672 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.570 -6.129 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 32 29.576 -5.885 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 32 28.435 -6.770 5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.953 -8.267 3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 32 29.184 -7.419 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 30.032 -9.442 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 30.826 -8.105 4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 29.633 -8.927 5.342 1.00 0.00 H new ATOM 525 N VAL A 33 27.108 -2.964 0.272 1.00 0.00 N ATOM 526 CA VAL A 33 27.423 -2.533 -1.079 1.00 0.00 C ATOM 527 C VAL A 33 28.736 -1.766 -1.084 1.00 0.00 C ATOM 528 O VAL A 33 29.023 -1.047 -0.153 1.00 0.00 O ATOM 529 CB VAL A 33 26.257 -1.672 -1.710 1.00 0.00 C ATOM 530 CG1 VAL A 33 24.964 -1.872 -0.990 1.00 0.00 C ATOM 531 CG2 VAL A 33 26.541 -0.191 -1.832 1.00 0.00 C ATOM 0 H VAL A 33 26.954 -2.208 0.940 1.00 0.00 H new ATOM 0 HA VAL A 33 27.530 -3.421 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 33 26.181 -2.054 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.190 -1.262 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 33 24.678 -2.923 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 33 25.079 -1.577 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 33 25.680 0.309 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 33 26.733 0.225 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.415 -0.039 -2.465 1.00 0.00 H new ATOM 541 N PHE A 34 29.537 -1.949 -2.088 1.00 0.00 N ATOM 542 CA PHE A 34 30.795 -1.235 -2.176 1.00 0.00 C ATOM 543 C PHE A 34 30.594 0.066 -2.915 1.00 0.00 C ATOM 544 O PHE A 34 31.154 1.111 -2.543 1.00 0.00 O ATOM 545 CB PHE A 34 31.845 -2.082 -2.868 1.00 0.00 C ATOM 546 CG PHE A 34 32.329 -3.262 -2.067 1.00 0.00 C ATOM 547 CD1 PHE A 34 31.522 -4.366 -1.865 1.00 0.00 C ATOM 548 CD2 PHE A 34 33.609 -3.276 -1.551 1.00 0.00 C ATOM 549 CE1 PHE A 34 31.981 -5.460 -1.165 1.00 0.00 C ATOM 550 CE2 PHE A 34 34.072 -4.363 -0.841 1.00 0.00 C ATOM 551 CZ PHE A 34 33.258 -5.459 -0.649 1.00 0.00 C ATOM 0 H PHE A 34 29.351 -2.585 -2.864 1.00 0.00 H new ATOM 0 HA PHE A 34 31.147 -1.019 -1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.437 -2.444 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 34 32.699 -1.450 -3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 34 30.517 -4.371 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 34 34.256 -2.425 -1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 34 31.340 -6.317 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 34 35.073 -4.356 -0.435 1.00 0.00 H new ATOM 0 HZ PHE A 34 33.620 -6.313 -0.096 1.00 0.00 H new ATOM 561 N SER A 35 29.788 0.004 -3.945 1.00 0.00 N ATOM 562 CA SER A 35 29.458 1.126 -4.719 1.00 0.00 C ATOM 563 C SER A 35 28.001 1.409 -4.515 1.00 0.00 C ATOM 564 O SER A 35 27.140 0.570 -4.843 1.00 0.00 O ATOM 565 CB SER A 35 29.736 0.841 -6.195 1.00 0.00 C ATOM 566 OG SER A 35 29.416 1.948 -7.009 1.00 0.00 O ATOM 0 H SER A 35 29.344 -0.859 -4.258 1.00 0.00 H new ATOM 0 HA SER A 35 30.057 1.986 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 35 30.788 0.586 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 35 29.156 -0.025 -6.514 1.00 0.00 H new ATOM 0 HG SER A 35 29.608 1.732 -7.945 1.00 0.00 H new ATOM 572 N MET A 36 27.703 2.564 -3.956 1.00 0.00 N ATOM 573 CA MET A 36 26.328 2.982 -3.761 1.00 0.00 C ATOM 574 C MET A 36 25.674 3.160 -5.095 1.00 0.00 C ATOM 575 O MET A 36 24.494 2.914 -5.253 1.00 0.00 O ATOM 576 CB MET A 36 26.237 4.274 -2.951 1.00 0.00 C ATOM 577 CG MET A 36 26.419 4.093 -1.455 1.00 0.00 C ATOM 578 SD MET A 36 24.933 4.547 -0.536 1.00 0.00 S ATOM 579 CE MET A 36 23.750 3.419 -1.264 1.00 0.00 C ATOM 0 H MET A 36 28.398 3.234 -3.627 1.00 0.00 H new ATOM 0 HA MET A 36 25.811 2.208 -3.194 1.00 0.00 H new ATOM 0 HB2 MET A 36 26.993 4.970 -3.315 1.00 0.00 H new ATOM 0 HB3 MET A 36 25.266 4.734 -3.133 1.00 0.00 H new ATOM 0 HG2 MET A 36 26.674 3.054 -1.243 1.00 0.00 H new ATOM 0 HG3 MET A 36 27.256 4.702 -1.115 1.00 0.00 H new ATOM 0 HE1 MET A 36 22.777 3.558 -0.792 1.00 0.00 H new ATOM 0 HE2 MET A 36 23.667 3.619 -2.332 1.00 0.00 H new ATOM 0 HE3 MET A 36 24.084 2.393 -1.112 1.00 0.00 H new ATOM 589 N ASP A 37 26.492 3.487 -6.062 1.00 0.00 N ATOM 590 CA ASP A 37 26.072 3.712 -7.432 1.00 0.00 C ATOM 591 C ASP A 37 25.477 2.434 -8.006 1.00 0.00 C ATOM 592 O ASP A 37 24.468 2.472 -8.727 1.00 0.00 O ATOM 593 CB ASP A 37 27.260 4.190 -8.280 1.00 0.00 C ATOM 594 CG ASP A 37 26.893 4.460 -9.718 1.00 0.00 C ATOM 595 OD1 ASP A 37 26.459 5.587 -10.044 1.00 0.00 O ATOM 596 OD2 ASP A 37 27.010 3.558 -10.549 1.00 0.00 O ATOM 0 H ASP A 37 27.495 3.609 -5.921 1.00 0.00 H new ATOM 0 HA ASP A 37 25.308 4.489 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 37 27.670 5.099 -7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 37 28.047 3.437 -8.248 1.00 0.00 H new ATOM 601 N ASP A 38 26.056 1.294 -7.621 1.00 0.00 N ATOM 602 CA ASP A 38 25.549 -0.005 -8.065 1.00 0.00 C ATOM 603 C ASP A 38 24.231 -0.276 -7.385 1.00 0.00 C ATOM 604 O ASP A 38 23.281 -0.737 -8.007 1.00 0.00 O ATOM 605 CB ASP A 38 26.517 -1.132 -7.717 1.00 0.00 C ATOM 606 CG ASP A 38 26.035 -2.487 -8.216 1.00 0.00 C ATOM 607 OD1 ASP A 38 26.297 -2.831 -9.384 1.00 0.00 O ATOM 608 OD2 ASP A 38 25.404 -3.242 -7.439 1.00 0.00 O ATOM 0 H ASP A 38 26.870 1.244 -7.008 1.00 0.00 H new ATOM 0 HA ASP A 38 25.431 0.029 -9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 38 27.493 -0.915 -8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 38 26.650 -1.172 -6.636 1.00 0.00 H new ATOM 613 N PHE A 39 24.178 0.057 -6.100 1.00 0.00 N ATOM 614 CA PHE A 39 23.006 -0.113 -5.295 1.00 0.00 C ATOM 615 C PHE A 39 21.827 0.683 -5.883 1.00 0.00 C ATOM 616 O PHE A 39 20.708 0.177 -5.978 1.00 0.00 O ATOM 617 CB PHE A 39 23.308 0.336 -3.867 1.00 0.00 C ATOM 618 CG PHE A 39 22.144 0.264 -2.924 1.00 0.00 C ATOM 619 CD1 PHE A 39 21.305 1.338 -2.787 1.00 0.00 C ATOM 620 CD2 PHE A 39 21.906 -0.867 -2.162 1.00 0.00 C ATOM 621 CE1 PHE A 39 20.250 1.298 -1.924 1.00 0.00 C ATOM 622 CE2 PHE A 39 20.847 -0.910 -1.285 1.00 0.00 C ATOM 623 CZ PHE A 39 20.018 0.180 -1.172 1.00 0.00 C ATOM 0 H PHE A 39 24.968 0.458 -5.594 1.00 0.00 H new ATOM 0 HA PHE A 39 22.723 -1.165 -5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 39 24.116 -0.279 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 39 23.673 1.363 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 39 21.482 2.229 -3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 39 22.557 -1.723 -2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.595 2.152 -1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 39 20.669 -1.793 -0.690 1.00 0.00 H new ATOM 0 HZ PHE A 39 19.182 0.154 -0.488 1.00 0.00 H new ATOM 633 N TRP A 40 22.097 1.920 -6.303 1.00 0.00 N ATOM 634 CA TRP A 40 21.070 2.777 -6.893 1.00 0.00 C ATOM 635 C TRP A 40 20.570 2.189 -8.186 1.00 0.00 C ATOM 636 O TRP A 40 19.398 2.271 -8.501 1.00 0.00 O ATOM 637 CB TRP A 40 21.575 4.210 -7.138 1.00 0.00 C ATOM 638 CG TRP A 40 22.072 4.902 -5.904 1.00 0.00 C ATOM 639 CD1 TRP A 40 23.252 5.569 -5.764 1.00 0.00 C ATOM 640 CD2 TRP A 40 21.423 4.975 -4.628 1.00 0.00 C ATOM 641 NE1 TRP A 40 23.386 6.019 -4.481 1.00 0.00 N ATOM 642 CE2 TRP A 40 22.278 5.678 -3.771 1.00 0.00 C ATOM 643 CE3 TRP A 40 20.209 4.511 -4.125 1.00 0.00 C ATOM 644 CZ2 TRP A 40 21.961 5.922 -2.450 1.00 0.00 C ATOM 645 CZ3 TRP A 40 19.898 4.759 -2.817 1.00 0.00 C ATOM 646 CH2 TRP A 40 20.768 5.448 -1.993 1.00 0.00 C ATOM 0 H TRP A 40 23.020 2.350 -6.245 1.00 0.00 H new ATOM 0 HA TRP A 40 20.252 2.830 -6.174 1.00 0.00 H new ATOM 0 HB2 TRP A 40 22.379 4.180 -7.874 1.00 0.00 H new ATOM 0 HB3 TRP A 40 20.767 4.799 -7.572 1.00 0.00 H new ATOM 0 HD1 TRP A 40 23.975 5.720 -6.552 1.00 0.00 H new ATOM 0 HE1 TRP A 40 24.189 6.529 -4.114 1.00 0.00 H new ATOM 0 HE3 TRP A 40 19.525 3.965 -4.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 22.633 6.468 -1.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 18.956 4.410 -2.421 1.00 0.00 H new ATOM 0 HH2 TRP A 40 20.495 5.615 -0.961 1.00 0.00 H new ATOM 657 N ALA A 41 21.460 1.583 -8.920 1.00 0.00 N ATOM 658 CA ALA A 41 21.105 0.948 -10.177 1.00 0.00 C ATOM 659 C ALA A 41 20.288 -0.312 -9.918 1.00 0.00 C ATOM 660 O ALA A 41 19.390 -0.657 -10.688 1.00 0.00 O ATOM 661 CB ALA A 41 22.352 0.629 -10.984 1.00 0.00 C ATOM 0 H ALA A 41 22.447 1.510 -8.675 1.00 0.00 H new ATOM 0 HA ALA A 41 20.495 1.639 -10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 41 22.066 0.154 -11.922 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.895 1.551 -11.194 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.991 -0.046 -10.415 1.00 0.00 H new ATOM 667 N ALA A 42 20.579 -0.965 -8.813 1.00 0.00 N ATOM 668 CA ALA A 42 19.896 -2.178 -8.425 1.00 0.00 C ATOM 669 C ALA A 42 18.454 -1.896 -8.011 1.00 0.00 C ATOM 670 O ALA A 42 17.555 -2.696 -8.278 1.00 0.00 O ATOM 671 CB ALA A 42 20.651 -2.850 -7.296 1.00 0.00 C ATOM 0 H ALA A 42 21.300 -0.667 -8.156 1.00 0.00 H new ATOM 0 HA ALA A 42 19.866 -2.846 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.133 -3.764 -7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.660 -3.094 -7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 42 20.703 -2.176 -6.441 1.00 0.00 H new ATOM 677 N TYR A 43 18.233 -0.764 -7.360 1.00 0.00 N ATOM 678 CA TYR A 43 16.900 -0.399 -6.915 1.00 0.00 C ATOM 679 C TYR A 43 16.357 0.797 -7.674 1.00 0.00 C ATOM 680 O TYR A 43 15.433 1.460 -7.211 1.00 0.00 O ATOM 681 CB TYR A 43 16.895 -0.130 -5.412 1.00 0.00 C ATOM 682 CG TYR A 43 17.160 -1.366 -4.586 1.00 0.00 C ATOM 683 CD1 TYR A 43 18.448 -1.762 -4.260 1.00 0.00 C ATOM 684 CD2 TYR A 43 16.109 -2.152 -4.156 1.00 0.00 C ATOM 685 CE1 TYR A 43 18.665 -2.914 -3.532 1.00 0.00 C ATOM 686 CE2 TYR A 43 16.316 -3.294 -3.427 1.00 0.00 C ATOM 687 CZ TYR A 43 17.590 -3.674 -3.119 1.00 0.00 C ATOM 688 OH TYR A 43 17.798 -4.836 -2.413 1.00 0.00 O ATOM 0 H TYR A 43 18.958 -0.085 -7.129 1.00 0.00 H new ATOM 0 HA TYR A 43 16.242 -1.242 -7.125 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.650 0.622 -5.181 1.00 0.00 H new ATOM 0 HB3 TYR A 43 15.930 0.289 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 43 19.289 -1.164 -4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.099 -1.859 -4.400 1.00 0.00 H new ATOM 0 HE1 TYR A 43 19.671 -3.219 -3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.477 -3.889 -3.099 1.00 0.00 H new ATOM 0 HH TYR A 43 18.662 -4.789 -1.952 1.00 0.00 H new ATOM 698 N ALA A 44 16.932 1.059 -8.842 1.00 0.00 N ATOM 699 CA ALA A 44 16.499 2.134 -9.742 1.00 0.00 C ATOM 700 C ALA A 44 14.974 2.172 -9.953 1.00 0.00 C ATOM 701 O ALA A 44 14.369 3.253 -9.960 1.00 0.00 O ATOM 702 CB ALA A 44 17.206 2.015 -11.081 1.00 0.00 C ATOM 0 H ALA A 44 17.724 0.526 -9.200 1.00 0.00 H new ATOM 0 HA ALA A 44 16.773 3.072 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.876 2.818 -11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 44 18.283 2.088 -10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 44 16.967 1.053 -11.534 1.00 0.00 H new ATOM 708 N GLY A 45 14.359 1.003 -10.073 1.00 0.00 N ATOM 709 CA GLY A 45 12.933 0.926 -10.328 1.00 0.00 C ATOM 710 C GLY A 45 12.074 1.266 -9.116 1.00 0.00 C ATOM 711 O GLY A 45 10.918 1.656 -9.261 1.00 0.00 O ATOM 0 H GLY A 45 14.826 0.100 -9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.681 1.605 -11.142 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.687 -0.081 -10.665 1.00 0.00 H new ATOM 715 N TRP A 46 12.616 1.068 -7.928 1.00 0.00 N ATOM 716 CA TRP A 46 11.930 1.383 -6.693 1.00 0.00 C ATOM 717 C TRP A 46 11.913 2.903 -6.503 1.00 0.00 C ATOM 718 O TRP A 46 12.760 3.615 -7.054 1.00 0.00 O ATOM 719 CB TRP A 46 12.680 0.765 -5.502 1.00 0.00 C ATOM 720 CG TRP A 46 12.866 -0.715 -5.517 1.00 0.00 C ATOM 721 CD1 TRP A 46 13.601 -1.441 -6.401 1.00 0.00 C ATOM 722 CD2 TRP A 46 12.360 -1.644 -4.563 1.00 0.00 C ATOM 723 NE1 TRP A 46 13.524 -2.768 -6.095 1.00 0.00 N ATOM 724 CE2 TRP A 46 12.780 -2.922 -4.966 1.00 0.00 C ATOM 725 CE3 TRP A 46 11.578 -1.524 -3.418 1.00 0.00 C ATOM 726 CZ2 TRP A 46 12.440 -4.066 -4.272 1.00 0.00 C ATOM 727 CZ3 TRP A 46 11.241 -2.662 -2.729 1.00 0.00 C ATOM 728 CH2 TRP A 46 11.674 -3.917 -3.160 1.00 0.00 C ATOM 0 H TRP A 46 13.551 0.682 -7.795 1.00 0.00 H new ATOM 0 HA TRP A 46 10.916 0.986 -6.742 1.00 0.00 H new ATOM 0 HB2 TRP A 46 13.664 1.230 -5.442 1.00 0.00 H new ATOM 0 HB3 TRP A 46 12.146 1.031 -4.590 1.00 0.00 H new ATOM 0 HD1 TRP A 46 14.164 -1.027 -7.225 1.00 0.00 H new ATOM 0 HE1 TRP A 46 13.955 -3.524 -6.627 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.243 -0.555 -3.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.770 -5.041 -4.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.632 -2.585 -1.840 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.393 -4.793 -2.594 1.00 0.00 H new ATOM 739 N THR A 47 10.971 3.389 -5.742 1.00 0.00 N ATOM 740 CA THR A 47 10.892 4.775 -5.416 1.00 0.00 C ATOM 741 C THR A 47 11.731 5.026 -4.154 1.00 0.00 C ATOM 742 O THR A 47 11.502 4.383 -3.119 1.00 0.00 O ATOM 743 CB THR A 47 9.426 5.151 -5.139 1.00 0.00 C ATOM 744 OG1 THR A 47 8.602 4.855 -6.290 1.00 0.00 O ATOM 745 CG2 THR A 47 9.297 6.612 -4.772 1.00 0.00 C ATOM 0 H THR A 47 10.231 2.822 -5.329 1.00 0.00 H new ATOM 0 HA THR A 47 11.268 5.378 -6.243 1.00 0.00 H new ATOM 0 HB THR A 47 9.083 4.555 -4.294 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.672 5.098 -6.098 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.250 6.848 -4.582 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.883 6.815 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.664 7.227 -5.593 1.00 0.00 H new ATOM 753 N LEU A 48 12.710 5.903 -4.252 1.00 0.00 N ATOM 754 CA LEU A 48 13.546 6.252 -3.119 1.00 0.00 C ATOM 755 C LEU A 48 12.773 7.229 -2.266 1.00 0.00 C ATOM 756 O LEU A 48 12.541 8.368 -2.674 1.00 0.00 O ATOM 757 CB LEU A 48 14.896 6.852 -3.632 1.00 0.00 C ATOM 758 CG LEU A 48 16.044 7.172 -2.621 1.00 0.00 C ATOM 759 CD1 LEU A 48 15.806 8.434 -1.813 1.00 0.00 C ATOM 760 CD2 LEU A 48 16.283 6.009 -1.691 1.00 0.00 C ATOM 0 H LEU A 48 12.948 6.392 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 48 13.795 5.378 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.299 6.159 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.660 7.777 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 48 16.932 7.347 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.643 8.594 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.719 9.286 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.886 8.330 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.086 6.257 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.372 5.798 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.563 5.130 -2.272 1.00 0.00 H new ATOM 772 N VAL A 49 12.342 6.785 -1.114 1.00 0.00 N ATOM 773 CA VAL A 49 11.566 7.638 -0.261 1.00 0.00 C ATOM 774 C VAL A 49 12.502 8.446 0.600 1.00 0.00 C ATOM 775 O VAL A 49 12.356 9.661 0.716 1.00 0.00 O ATOM 776 CB VAL A 49 10.530 6.859 0.584 1.00 0.00 C ATOM 777 CG1 VAL A 49 9.672 7.809 1.395 1.00 0.00 C ATOM 778 CG2 VAL A 49 9.667 6.013 -0.318 1.00 0.00 C ATOM 0 H VAL A 49 12.514 5.848 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 49 10.977 8.310 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 49 11.064 6.210 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.951 7.238 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.306 8.390 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.141 8.483 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.939 5.467 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.144 6.654 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.293 5.306 -0.862 1.00 0.00 H new ATOM 788 N GLU A 50 13.484 7.784 1.170 1.00 0.00 N ATOM 789 CA GLU A 50 14.519 8.475 1.901 1.00 0.00 C ATOM 790 C GLU A 50 15.707 7.614 2.036 1.00 0.00 C ATOM 791 O GLU A 50 15.641 6.414 1.831 1.00 0.00 O ATOM 792 CB GLU A 50 14.101 8.992 3.299 1.00 0.00 C ATOM 793 CG GLU A 50 13.644 7.947 4.285 1.00 0.00 C ATOM 794 CD GLU A 50 13.347 8.540 5.640 1.00 0.00 C ATOM 795 OE1 GLU A 50 14.302 8.918 6.362 1.00 0.00 O ATOM 796 OE2 GLU A 50 12.152 8.626 6.016 1.00 0.00 O ATOM 0 H GLU A 50 13.587 6.770 1.141 1.00 0.00 H new ATOM 0 HA GLU A 50 14.739 9.362 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 50 14.946 9.527 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.297 9.717 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.751 7.453 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.414 7.182 4.385 1.00 0.00 H new ATOM 803 N GLN A 51 16.778 8.223 2.326 1.00 0.00 N ATOM 804 CA GLN A 51 17.976 7.566 2.625 1.00 0.00 C ATOM 805 C GLN A 51 18.685 8.361 3.664 1.00 0.00 C ATOM 806 O GLN A 51 18.506 9.590 3.759 1.00 0.00 O ATOM 807 CB GLN A 51 18.835 7.388 1.393 1.00 0.00 C ATOM 808 CG GLN A 51 19.202 8.667 0.682 1.00 0.00 C ATOM 809 CD GLN A 51 20.105 8.395 -0.468 1.00 0.00 C ATOM 810 OE1 GLN A 51 21.331 8.411 -0.338 1.00 0.00 O ATOM 811 NE2 GLN A 51 19.526 8.079 -1.583 1.00 0.00 N ATOM 0 H GLN A 51 16.848 9.240 2.364 1.00 0.00 H new ATOM 0 HA GLN A 51 17.764 6.564 2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.752 6.873 1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 51 18.310 6.738 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 51 18.298 9.164 0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 51 19.690 9.348 1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.508 8.079 -1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.088 7.831 -2.397 1.00 0.00 H new ATOM 820 N LYS A 52 19.389 7.680 4.467 1.00 0.00 N ATOM 821 CA LYS A 52 20.168 8.251 5.515 1.00 0.00 C ATOM 822 C LYS A 52 21.414 7.407 5.674 1.00 0.00 C ATOM 823 O LYS A 52 21.496 6.337 5.066 1.00 0.00 O ATOM 824 CB LYS A 52 19.313 8.349 6.794 1.00 0.00 C ATOM 825 CG LYS A 52 18.479 7.106 7.068 1.00 0.00 C ATOM 826 CD LYS A 52 17.012 7.412 7.385 1.00 0.00 C ATOM 827 CE LYS A 52 16.795 8.316 8.584 1.00 0.00 C ATOM 828 NZ LYS A 52 15.347 8.552 8.794 1.00 0.00 N ATOM 0 H LYS A 52 19.452 6.663 4.423 1.00 0.00 H new ATOM 0 HA LYS A 52 20.484 9.269 5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.968 8.531 7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.650 9.210 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.525 6.448 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.917 6.561 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.555 7.876 6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.488 6.472 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.229 7.861 9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.307 9.266 8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.214 9.426 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.873 8.646 7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.937 7.751 9.314 1.00 0.00 H new ATOM 842 N LYS A 53 22.370 7.861 6.450 1.00 0.00 N ATOM 843 CA LYS A 53 23.647 7.167 6.570 1.00 0.00 C ATOM 844 C LYS A 53 23.478 5.774 7.190 1.00 0.00 C ATOM 845 O LYS A 53 23.310 5.634 8.405 1.00 0.00 O ATOM 846 CB LYS A 53 24.652 8.007 7.373 1.00 0.00 C ATOM 847 CG LYS A 53 26.075 7.453 7.390 1.00 0.00 C ATOM 848 CD LYS A 53 26.677 7.416 5.986 1.00 0.00 C ATOM 849 CE LYS A 53 28.096 6.870 5.992 1.00 0.00 C ATOM 850 NZ LYS A 53 29.027 7.714 6.775 1.00 0.00 N ATOM 0 H LYS A 53 22.295 8.709 7.012 1.00 0.00 H new ATOM 0 HA LYS A 53 24.042 7.030 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 53 24.674 9.016 6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 53 24.297 8.091 8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.699 8.068 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.071 6.448 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.053 6.799 5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 53 26.676 8.421 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.092 5.861 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.456 6.793 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.004 7.398 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.929 8.706 6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 28.802 7.632 7.787 1.00 0.00 H new ATOM 864 N GLY A 54 23.437 4.775 6.338 1.00 0.00 N ATOM 865 CA GLY A 54 23.348 3.412 6.782 1.00 0.00 C ATOM 866 C GLY A 54 22.007 2.767 6.475 1.00 0.00 C ATOM 867 O GLY A 54 21.899 1.555 6.475 1.00 0.00 O ATOM 0 H GLY A 54 23.464 4.888 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 54 24.140 2.831 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.524 3.375 7.857 1.00 0.00 H new ATOM 871 N TYR A 55 20.990 3.558 6.194 1.00 0.00 N ATOM 872 CA TYR A 55 19.677 3.032 5.963 1.00 0.00 C ATOM 873 C TYR A 55 19.054 3.694 4.738 1.00 0.00 C ATOM 874 O TYR A 55 19.134 4.906 4.567 1.00 0.00 O ATOM 875 CB TYR A 55 18.832 3.257 7.244 1.00 0.00 C ATOM 876 CG TYR A 55 17.329 3.131 7.103 1.00 0.00 C ATOM 877 CD1 TYR A 55 16.620 4.160 6.551 1.00 0.00 C ATOM 878 CD2 TYR A 55 16.638 2.021 7.547 1.00 0.00 C ATOM 879 CE1 TYR A 55 15.262 4.123 6.426 1.00 0.00 C ATOM 880 CE2 TYR A 55 15.259 1.953 7.426 1.00 0.00 C ATOM 881 CZ TYR A 55 14.576 3.013 6.862 1.00 0.00 C ATOM 882 OH TYR A 55 13.204 2.968 6.748 1.00 0.00 O ATOM 0 H TYR A 55 21.058 4.573 6.122 1.00 0.00 H new ATOM 0 HA TYR A 55 19.719 1.963 5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 55 19.163 2.544 7.999 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.055 4.253 7.627 1.00 0.00 H new ATOM 0 HD1 TYR A 55 17.153 5.032 6.202 1.00 0.00 H new ATOM 0 HD2 TYR A 55 17.177 1.198 7.993 1.00 0.00 H new ATOM 0 HE1 TYR A 55 14.731 4.956 5.989 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.724 1.080 7.769 1.00 0.00 H new ATOM 0 HH TYR A 55 12.882 3.799 6.341 1.00 0.00 H new ATOM 892 N VAL A 56 18.440 2.907 3.902 1.00 0.00 N ATOM 893 CA VAL A 56 17.773 3.405 2.733 1.00 0.00 C ATOM 894 C VAL A 56 16.336 2.875 2.696 1.00 0.00 C ATOM 895 O VAL A 56 16.078 1.715 3.003 1.00 0.00 O ATOM 896 CB VAL A 56 18.531 3.027 1.421 1.00 0.00 C ATOM 897 CG1 VAL A 56 17.755 3.484 0.216 1.00 0.00 C ATOM 898 CG2 VAL A 56 19.913 3.665 1.379 1.00 0.00 C ATOM 0 H VAL A 56 18.388 1.894 4.013 1.00 0.00 H new ATOM 0 HA VAL A 56 17.759 4.493 2.791 1.00 0.00 H new ATOM 0 HB VAL A 56 18.636 1.942 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.297 3.213 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.776 3.005 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 56 17.629 4.566 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 56 20.416 3.383 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.814 4.750 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.499 3.319 2.230 1.00 0.00 H new ATOM 908 N LEU A 57 15.423 3.732 2.366 1.00 0.00 N ATOM 909 CA LEU A 57 14.042 3.406 2.264 1.00 0.00 C ATOM 910 C LEU A 57 13.584 3.478 0.808 1.00 0.00 C ATOM 911 O LEU A 57 13.546 4.584 0.198 1.00 0.00 O ATOM 912 CB LEU A 57 13.228 4.352 3.154 1.00 0.00 C ATOM 913 CG LEU A 57 11.732 4.427 2.873 1.00 0.00 C ATOM 914 CD1 LEU A 57 11.047 3.130 3.019 1.00 0.00 C ATOM 915 CD2 LEU A 57 11.053 5.487 3.697 1.00 0.00 C ATOM 0 H LEU A 57 15.628 4.708 2.154 1.00 0.00 H new ATOM 0 HA LEU A 57 13.882 2.384 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.366 4.048 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.644 5.355 3.058 1.00 0.00 H new ATOM 0 HG LEU A 57 11.649 4.711 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.985 3.253 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.477 2.411 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.172 2.765 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.989 5.504 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.188 5.267 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.490 6.460 3.470 1.00 0.00 H new ATOM 927 N PHE A 58 13.257 2.306 0.274 1.00 0.00 N ATOM 928 CA PHE A 58 12.756 2.127 -1.089 1.00 0.00 C ATOM 929 C PHE A 58 11.401 1.445 -1.095 1.00 0.00 C ATOM 930 O PHE A 58 11.155 0.512 -0.330 1.00 0.00 O ATOM 931 CB PHE A 58 13.709 1.274 -1.942 1.00 0.00 C ATOM 932 CG PHE A 58 14.755 2.021 -2.710 1.00 0.00 C ATOM 933 CD1 PHE A 58 14.398 2.767 -3.807 1.00 0.00 C ATOM 934 CD2 PHE A 58 16.080 1.950 -2.368 1.00 0.00 C ATOM 935 CE1 PHE A 58 15.335 3.432 -4.554 1.00 0.00 C ATOM 936 CE2 PHE A 58 17.030 2.621 -3.114 1.00 0.00 C ATOM 937 CZ PHE A 58 16.652 3.361 -4.210 1.00 0.00 C ATOM 0 H PHE A 58 13.334 1.429 0.789 1.00 0.00 H new ATOM 0 HA PHE A 58 12.678 3.128 -1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 58 14.209 0.560 -1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 58 13.113 0.696 -2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 58 13.357 2.831 -4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 58 16.383 1.367 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 58 15.031 4.011 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 58 18.072 2.564 -2.836 1.00 0.00 H new ATOM 0 HZ PHE A 58 17.395 3.883 -4.795 1.00 0.00 H new ATOM 947 N ARG A 59 10.538 1.887 -1.960 1.00 0.00 N ATOM 948 CA ARG A 59 9.257 1.257 -2.106 1.00 0.00 C ATOM 949 C ARG A 59 9.034 0.823 -3.526 1.00 0.00 C ATOM 950 O ARG A 59 9.421 1.512 -4.473 1.00 0.00 O ATOM 951 CB ARG A 59 8.117 2.151 -1.641 1.00 0.00 C ATOM 952 CG ARG A 59 7.995 3.462 -2.368 1.00 0.00 C ATOM 953 CD ARG A 59 6.814 4.248 -1.854 1.00 0.00 C ATOM 954 NE ARG A 59 6.823 4.346 -0.392 1.00 0.00 N ATOM 955 CZ ARG A 59 6.086 5.169 0.341 1.00 0.00 C ATOM 956 NH1 ARG A 59 5.383 6.144 -0.233 1.00 0.00 N ATOM 957 NH2 ARG A 59 6.106 5.040 1.658 1.00 0.00 N ATOM 0 H ARG A 59 10.697 2.683 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 59 9.263 0.377 -1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.180 1.605 -1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.246 2.354 -0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.909 4.042 -2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.881 3.282 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.827 5.249 -2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.890 3.772 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 59 7.456 3.722 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.408 6.263 -1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.819 6.772 0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.681 4.317 2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.546 5.663 2.240 1.00 0.00 H new ATOM 971 N LYS A 60 8.446 -0.310 -3.671 1.00 0.00 N ATOM 972 CA LYS A 60 8.117 -0.855 -4.959 1.00 0.00 C ATOM 973 C LYS A 60 6.661 -1.164 -4.968 1.00 0.00 C ATOM 974 O LYS A 60 6.144 -1.807 -4.059 1.00 0.00 O ATOM 975 CB LYS A 60 8.948 -2.105 -5.248 1.00 0.00 C ATOM 976 CG LYS A 60 8.609 -2.868 -6.523 1.00 0.00 C ATOM 977 CD LYS A 60 9.186 -2.228 -7.774 1.00 0.00 C ATOM 978 CE LYS A 60 10.704 -2.261 -7.763 1.00 0.00 C ATOM 979 NZ LYS A 60 11.262 -1.963 -9.091 1.00 0.00 N ATOM 0 H LYS A 60 8.170 -0.904 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 60 8.347 -0.133 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.997 -1.814 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.843 -2.787 -4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.983 -3.888 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.526 -2.933 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.816 -2.751 -8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.843 -1.196 -7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.079 -1.537 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.045 -3.244 -7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.290 -1.827 -9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.065 -2.755 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.825 -1.096 -9.464 1.00 0.00 H new ATOM 993 N GLN A 61 6.010 -0.690 -5.957 1.00 0.00 N ATOM 994 CA GLN A 61 4.601 -0.809 -6.058 1.00 0.00 C ATOM 995 C GLN A 61 4.265 -1.632 -7.276 1.00 0.00 C ATOM 996 O GLN A 61 4.544 -1.235 -8.411 1.00 0.00 O ATOM 997 CB GLN A 61 3.979 0.597 -6.109 1.00 0.00 C ATOM 998 CG GLN A 61 4.983 1.687 -5.714 1.00 0.00 C ATOM 999 CD GLN A 61 4.376 2.981 -5.309 1.00 0.00 C ATOM 1000 OE1 GLN A 61 4.088 3.844 -6.123 1.00 0.00 O ATOM 1001 NE2 GLN A 61 4.284 3.164 -4.039 1.00 0.00 N ATOM 0 H GLN A 61 6.445 -0.198 -6.737 1.00 0.00 H new ATOM 0 HA GLN A 61 4.187 -1.320 -5.189 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.609 0.793 -7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.119 0.637 -5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.594 1.316 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.654 1.865 -6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.536 2.413 -3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.959 4.060 -3.675 1.00 0.00 H new ATOM 1010 N MET A 62 3.761 -2.807 -7.028 1.00 0.00 N ATOM 1011 CA MET A 62 3.382 -3.737 -8.064 1.00 0.00 C ATOM 1012 C MET A 62 1.882 -3.670 -8.268 1.00 0.00 C ATOM 1013 O MET A 62 1.193 -2.943 -7.543 1.00 0.00 O ATOM 1014 CB MET A 62 3.855 -5.152 -7.710 1.00 0.00 C ATOM 1015 CG MET A 62 5.372 -5.297 -7.731 1.00 0.00 C ATOM 1016 SD MET A 62 5.967 -6.833 -6.974 1.00 0.00 S ATOM 1017 CE MET A 62 5.617 -6.512 -5.234 1.00 0.00 C ATOM 0 H MET A 62 3.597 -3.156 -6.084 1.00 0.00 H new ATOM 0 HA MET A 62 3.865 -3.467 -9.003 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.484 -5.416 -6.719 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.418 -5.861 -8.413 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.718 -5.253 -8.764 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.817 -4.449 -7.210 1.00 0.00 H new ATOM 0 HE1 MET A 62 5.944 -7.361 -4.634 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.149 -5.616 -4.915 1.00 0.00 H new ATOM 0 HE3 MET A 62 4.545 -6.365 -5.100 1.00 0.00 H new ATOM 1027 N ASP A 63 1.366 -4.420 -9.208 1.00 0.00 N ATOM 1028 CA ASP A 63 -0.042 -4.282 -9.577 1.00 0.00 C ATOM 1029 C ASP A 63 -0.949 -5.372 -9.008 1.00 0.00 C ATOM 1030 O ASP A 63 -2.150 -5.379 -9.275 1.00 0.00 O ATOM 1031 CB ASP A 63 -0.216 -4.168 -11.100 1.00 0.00 C ATOM 1032 CG ASP A 63 0.179 -5.408 -11.851 1.00 0.00 C ATOM 1033 OD1 ASP A 63 1.362 -5.550 -12.216 1.00 0.00 O ATOM 1034 OD2 ASP A 63 -0.696 -6.259 -12.113 1.00 0.00 O ATOM 0 H ASP A 63 1.881 -5.127 -9.733 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.367 -3.351 -9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.258 -3.938 -11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.379 -3.330 -11.462 1.00 0.00 H new ATOM 1039 N ASP A 64 -0.406 -6.273 -8.229 1.00 0.00 N ATOM 1040 CA ASP A 64 -1.240 -7.301 -7.597 1.00 0.00 C ATOM 1041 C ASP A 64 -1.675 -6.793 -6.222 1.00 0.00 C ATOM 1042 O ASP A 64 -1.164 -5.768 -5.737 1.00 0.00 O ATOM 1043 CB ASP A 64 -0.478 -8.652 -7.479 1.00 0.00 C ATOM 1044 CG ASP A 64 -1.334 -9.841 -7.000 1.00 0.00 C ATOM 1045 OD1 ASP A 64 -2.587 -9.797 -7.095 1.00 0.00 O ATOM 1046 OD2 ASP A 64 -0.761 -10.875 -6.574 1.00 0.00 O ATOM 0 H ASP A 64 0.589 -6.329 -8.011 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.118 -7.488 -8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.052 -8.898 -8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.356 -8.523 -6.789 1.00 0.00 H new ATOM 1051 N ILE A 65 -2.611 -7.460 -5.620 1.00 0.00 N ATOM 1052 CA ILE A 65 -3.065 -7.114 -4.296 1.00 0.00 C ATOM 1053 C ILE A 65 -2.504 -8.155 -3.318 1.00 0.00 C ATOM 1054 O ILE A 65 -1.899 -9.139 -3.758 1.00 0.00 O ATOM 1055 CB ILE A 65 -4.621 -6.988 -4.218 1.00 0.00 C ATOM 1056 CG1 ILE A 65 -5.299 -8.304 -4.617 1.00 0.00 C ATOM 1057 CG2 ILE A 65 -5.100 -5.827 -5.094 1.00 0.00 C ATOM 1058 CD1 ILE A 65 -6.819 -8.266 -4.666 1.00 0.00 C ATOM 0 H ILE A 65 -3.087 -8.264 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.694 -6.126 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.902 -6.777 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.928 -8.601 -5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.994 -9.078 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.185 -5.748 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.648 -4.898 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.808 -6.007 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.198 -9.245 -4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.208 -8.005 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.141 -7.521 -5.393 1.00 0.00 H new ATOM 1070 N SER A 66 -2.696 -7.972 -2.040 1.00 0.00 N ATOM 1071 CA SER A 66 -2.049 -8.822 -1.060 1.00 0.00 C ATOM 1072 C SER A 66 -2.725 -10.197 -0.977 1.00 0.00 C ATOM 1073 O SER A 66 -3.952 -10.300 -1.018 1.00 0.00 O ATOM 1074 CB SER A 66 -2.045 -8.150 0.295 1.00 0.00 C ATOM 1075 OG SER A 66 -1.558 -6.815 0.204 1.00 0.00 O ATOM 0 H SER A 66 -3.293 -7.245 -1.647 1.00 0.00 H new ATOM 0 HA SER A 66 -1.019 -8.979 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.055 -8.145 0.705 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.424 -8.721 0.985 1.00 0.00 H new ATOM 0 HG SER A 66 -1.045 -6.710 -0.625 1.00 0.00 H new ATOM 1081 N PRO A 67 -1.924 -11.265 -0.824 1.00 0.00 N ATOM 1082 CA PRO A 67 -2.423 -12.639 -0.835 1.00 0.00 C ATOM 1083 C PRO A 67 -3.395 -12.925 0.308 1.00 0.00 C ATOM 1084 O PRO A 67 -4.427 -13.553 0.110 1.00 0.00 O ATOM 1085 CB PRO A 67 -1.158 -13.504 -0.709 1.00 0.00 C ATOM 1086 CG PRO A 67 -0.093 -12.592 -0.198 1.00 0.00 C ATOM 1087 CD PRO A 67 -0.463 -11.201 -0.629 1.00 0.00 C ATOM 0 HA PRO A 67 -2.993 -12.845 -1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.320 -14.338 -0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.878 -13.931 -1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.021 -12.653 0.888 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.881 -12.874 -0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.193 -10.464 0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.050 -10.918 -1.548 1.00 0.00 H new ATOM 1095 N LEU A 68 -3.094 -12.408 1.480 1.00 0.00 N ATOM 1096 CA LEU A 68 -3.905 -12.661 2.649 1.00 0.00 C ATOM 1097 C LEU A 68 -5.182 -11.814 2.575 1.00 0.00 C ATOM 1098 O LEU A 68 -6.245 -12.230 3.022 1.00 0.00 O ATOM 1099 CB LEU A 68 -3.091 -12.373 3.929 1.00 0.00 C ATOM 1100 CG LEU A 68 -3.423 -13.198 5.200 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -4.822 -12.932 5.733 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -3.236 -14.681 4.920 1.00 0.00 C ATOM 0 H LEU A 68 -2.288 -11.806 1.648 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.199 -13.710 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.037 -12.526 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.214 -11.318 4.173 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.729 -12.878 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.994 -13.538 6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.919 -11.877 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.557 -13.190 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.471 -15.253 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.900 -14.985 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.202 -14.869 4.630 1.00 0.00 H new ATOM 1114 N SER A 69 -5.092 -10.664 1.961 1.00 0.00 N ATOM 1115 CA SER A 69 -6.248 -9.822 1.779 1.00 0.00 C ATOM 1116 C SER A 69 -7.253 -10.506 0.829 1.00 0.00 C ATOM 1117 O SER A 69 -8.447 -10.346 0.959 1.00 0.00 O ATOM 1118 CB SER A 69 -5.818 -8.489 1.240 1.00 0.00 C ATOM 1119 OG SER A 69 -4.766 -7.940 2.031 1.00 0.00 O ATOM 0 H SER A 69 -4.226 -10.286 1.576 1.00 0.00 H new ATOM 0 HA SER A 69 -6.742 -9.665 2.738 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.484 -8.599 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.666 -7.805 1.229 1.00 0.00 H new ATOM 0 HG SER A 69 -4.556 -7.037 1.714 1.00 0.00 H new ATOM 1125 N LYS A 70 -6.755 -11.308 -0.095 1.00 0.00 N ATOM 1126 CA LYS A 70 -7.620 -12.094 -0.971 1.00 0.00 C ATOM 1127 C LYS A 70 -8.385 -13.171 -0.176 1.00 0.00 C ATOM 1128 O LYS A 70 -9.441 -13.641 -0.610 1.00 0.00 O ATOM 1129 CB LYS A 70 -6.790 -12.771 -2.056 1.00 0.00 C ATOM 1130 CG LYS A 70 -5.937 -11.810 -2.838 1.00 0.00 C ATOM 1131 CD LYS A 70 -5.071 -12.514 -3.853 1.00 0.00 C ATOM 1132 CE LYS A 70 -4.138 -11.525 -4.497 1.00 0.00 C ATOM 1133 NZ LYS A 70 -3.413 -12.076 -5.655 1.00 0.00 N ATOM 0 H LYS A 70 -5.757 -11.435 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.341 -11.414 -1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.150 -13.524 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.457 -13.294 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.577 -11.089 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.305 -11.246 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.499 -13.307 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.695 -12.987 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.708 -10.653 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.417 -11.181 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.195 -11.311 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.528 -12.516 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.004 -12.791 -6.126 1.00 0.00 H new ATOM 1147 N VAL A 71 -7.863 -13.553 0.986 1.00 0.00 N ATOM 1148 CA VAL A 71 -8.482 -14.616 1.769 1.00 0.00 C ATOM 1149 C VAL A 71 -9.378 -14.041 2.882 1.00 0.00 C ATOM 1150 O VAL A 71 -10.469 -14.553 3.149 1.00 0.00 O ATOM 1151 CB VAL A 71 -7.412 -15.625 2.373 1.00 0.00 C ATOM 1152 CG1 VAL A 71 -6.322 -15.912 1.381 1.00 0.00 C ATOM 1153 CG2 VAL A 71 -6.809 -15.175 3.688 1.00 0.00 C ATOM 0 H VAL A 71 -7.024 -13.148 1.402 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.109 -15.184 1.082 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.968 -16.538 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.604 -16.605 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.754 -16.357 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.816 -14.983 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.090 -15.918 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.304 -14.219 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.599 -15.063 4.431 1.00 0.00 H new ATOM 1163 N ASN A 72 -8.930 -12.962 3.489 1.00 0.00 N ATOM 1164 CA ASN A 72 -9.620 -12.390 4.662 1.00 0.00 C ATOM 1165 C ASN A 72 -10.177 -10.991 4.431 1.00 0.00 C ATOM 1166 O ASN A 72 -11.065 -10.546 5.163 1.00 0.00 O ATOM 1167 CB ASN A 72 -8.666 -12.415 5.886 1.00 0.00 C ATOM 1168 CG ASN A 72 -9.129 -11.577 7.071 1.00 0.00 C ATOM 1169 OD1 ASN A 72 -8.760 -10.427 7.195 1.00 0.00 O ATOM 1170 ND2 ASN A 72 -9.936 -12.138 7.927 1.00 0.00 N ATOM 0 H ASN A 72 -8.094 -12.453 3.202 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.491 -13.016 4.854 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.545 -13.447 6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.684 -12.063 5.571 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.276 -11.609 8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.227 -13.106 7.794 1.00 0.00 H new ATOM 1177 N GLY A 73 -9.721 -10.357 3.381 1.00 0.00 N ATOM 1178 CA GLY A 73 -10.026 -8.967 3.119 1.00 0.00 C ATOM 1179 C GLY A 73 -11.497 -8.633 2.974 1.00 0.00 C ATOM 1180 O GLY A 73 -12.331 -9.481 2.590 1.00 0.00 O ATOM 0 H GLY A 73 -9.123 -10.790 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.614 -8.365 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.512 -8.667 2.205 1.00 0.00 H new ATOM 1184 N TYR A 74 -11.768 -7.380 3.221 1.00 0.00 N ATOM 1185 CA TYR A 74 -13.031 -6.766 3.234 1.00 0.00 C ATOM 1186 C TYR A 74 -12.772 -5.341 3.030 1.00 0.00 C ATOM 1187 O TYR A 74 -11.960 -4.743 3.740 1.00 0.00 O ATOM 1188 CB TYR A 74 -13.756 -6.950 4.576 1.00 0.00 C ATOM 1189 CG TYR A 74 -14.484 -8.262 4.751 1.00 0.00 C ATOM 1190 CD1 TYR A 74 -15.710 -8.440 4.171 1.00 0.00 C ATOM 1191 CD2 TYR A 74 -13.970 -9.291 5.512 1.00 0.00 C ATOM 1192 CE1 TYR A 74 -16.420 -9.588 4.326 1.00 0.00 C ATOM 1193 CE2 TYR A 74 -14.670 -10.467 5.680 1.00 0.00 C ATOM 1194 CZ TYR A 74 -15.900 -10.609 5.084 1.00 0.00 C ATOM 1195 OH TYR A 74 -16.617 -11.766 5.253 1.00 0.00 O ATOM 0 H TYR A 74 -11.025 -6.716 3.437 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.670 -7.207 2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -13.026 -6.850 5.379 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -14.474 -6.138 4.695 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -16.126 -7.644 3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -13.005 -9.174 5.983 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -17.386 -9.697 3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -14.256 -11.268 6.274 1.00 0.00 H new ATOM 0 HH TYR A 74 -16.108 -12.387 5.815 1.00 0.00 H new ATOM 1205 N ILE A 75 -13.338 -4.816 2.018 1.00 0.00 N ATOM 1206 CA ILE A 75 -13.277 -3.425 1.808 1.00 0.00 C ATOM 1207 C ILE A 75 -14.260 -2.843 2.767 1.00 0.00 C ATOM 1208 O ILE A 75 -15.457 -3.140 2.708 1.00 0.00 O ATOM 1209 CB ILE A 75 -13.601 -3.081 0.360 1.00 0.00 C ATOM 1210 CG1 ILE A 75 -12.492 -3.617 -0.539 1.00 0.00 C ATOM 1211 CG2 ILE A 75 -13.792 -1.567 0.161 1.00 0.00 C ATOM 1212 CD1 ILE A 75 -12.791 -3.544 -2.031 1.00 0.00 C ATOM 0 H ILE A 75 -13.857 -5.336 1.311 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.280 -3.020 1.981 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.547 -3.552 0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.578 -3.058 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.296 -4.655 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -14.022 -1.364 -0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -14.613 -1.218 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.877 -1.045 0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.947 -3.947 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.685 -4.127 -2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -12.955 -2.506 -2.319 1.00 0.00 H new ATOM 1224 N GLY A 76 -13.737 -2.120 3.679 1.00 0.00 N ATOM 1225 CA GLY A 76 -14.483 -1.619 4.758 1.00 0.00 C ATOM 1226 C GLY A 76 -14.630 -0.155 4.679 1.00 0.00 C ATOM 1227 O GLY A 76 -13.675 0.627 4.907 1.00 0.00 O ATOM 0 H GLY A 76 -12.752 -1.855 3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.468 -2.085 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.995 -1.887 5.695 1.00 0.00 H new ATOM 1231 N VAL A 77 -15.779 0.243 4.351 1.00 0.00 N ATOM 1232 CA VAL A 77 -16.046 1.606 4.276 1.00 0.00 C ATOM 1233 C VAL A 77 -16.884 1.988 5.432 1.00 0.00 C ATOM 1234 O VAL A 77 -17.854 1.331 5.750 1.00 0.00 O ATOM 1235 CB VAL A 77 -16.658 2.018 2.933 1.00 0.00 C ATOM 1236 CG1 VAL A 77 -17.009 3.498 2.888 1.00 0.00 C ATOM 1237 CG2 VAL A 77 -15.707 1.662 1.799 1.00 0.00 C ATOM 0 H VAL A 77 -16.565 -0.367 4.126 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.106 2.155 4.325 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.590 1.466 2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -17.439 3.741 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -17.732 3.724 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -16.108 4.091 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -16.149 1.958 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.762 2.186 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -15.529 0.587 1.798 1.00 0.00 H new ATOM 1247 N SER A 78 -16.458 2.994 6.105 1.00 0.00 N ATOM 1248 CA SER A 78 -17.137 3.442 7.268 1.00 0.00 C ATOM 1249 C SER A 78 -18.029 4.617 6.883 1.00 0.00 C ATOM 1250 O SER A 78 -17.852 5.165 5.797 1.00 0.00 O ATOM 1251 CB SER A 78 -16.098 3.816 8.300 1.00 0.00 C ATOM 1252 OG SER A 78 -15.185 2.740 8.469 1.00 0.00 O ATOM 0 H SER A 78 -15.626 3.533 5.865 1.00 0.00 H new ATOM 0 HA SER A 78 -17.776 2.669 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.564 4.713 7.985 1.00 0.00 H new ATOM 0 HB3 SER A 78 -16.581 4.049 9.249 1.00 0.00 H new ATOM 0 HG SER A 78 -14.511 2.985 9.137 1.00 0.00 H new ATOM 1258 N ASP A 79 -18.943 5.007 7.779 1.00 0.00 N ATOM 1259 CA ASP A 79 -19.980 6.062 7.541 1.00 0.00 C ATOM 1260 C ASP A 79 -19.426 7.354 6.923 1.00 0.00 C ATOM 1261 O ASP A 79 -20.061 7.973 6.077 1.00 0.00 O ATOM 1262 CB ASP A 79 -20.719 6.378 8.850 1.00 0.00 C ATOM 1263 CG ASP A 79 -21.780 7.455 8.700 1.00 0.00 C ATOM 1264 OD1 ASP A 79 -22.861 7.171 8.144 1.00 0.00 O ATOM 1265 OD2 ASP A 79 -21.574 8.588 9.186 1.00 0.00 O ATOM 0 H ASP A 79 -18.998 4.601 8.713 1.00 0.00 H new ATOM 0 HA ASP A 79 -20.670 5.648 6.806 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -21.187 5.467 9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -19.994 6.694 9.600 1.00 0.00 H new ATOM 1270 N ASN A 80 -18.217 7.722 7.304 1.00 0.00 N ATOM 1271 CA ASN A 80 -17.581 8.934 6.774 1.00 0.00 C ATOM 1272 C ASN A 80 -16.936 8.695 5.406 1.00 0.00 C ATOM 1273 O ASN A 80 -16.170 9.521 4.919 1.00 0.00 O ATOM 1274 CB ASN A 80 -16.557 9.504 7.759 1.00 0.00 C ATOM 1275 CG ASN A 80 -17.192 10.098 9.003 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -17.566 11.268 9.022 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -17.309 9.322 10.042 1.00 0.00 N ATOM 0 H ASN A 80 -17.649 7.207 7.977 1.00 0.00 H new ATOM 0 HA ASN A 80 -18.374 9.670 6.640 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -15.866 8.714 8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -15.968 10.272 7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -17.721 9.681 10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.989 8.355 9.995 1.00 0.00 H new ATOM 1284 N GLY A 81 -17.255 7.561 4.801 1.00 0.00 N ATOM 1285 CA GLY A 81 -16.775 7.208 3.499 1.00 0.00 C ATOM 1286 C GLY A 81 -15.367 6.761 3.519 1.00 0.00 C ATOM 1287 O GLY A 81 -14.637 6.988 2.584 1.00 0.00 O ATOM 0 H GLY A 81 -17.865 6.858 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.399 6.415 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -16.871 8.067 2.834 1.00 0.00 H new ATOM 1291 N VAL A 82 -14.993 6.135 4.587 1.00 0.00 N ATOM 1292 CA VAL A 82 -13.634 5.671 4.758 1.00 0.00 C ATOM 1293 C VAL A 82 -13.396 4.447 3.886 1.00 0.00 C ATOM 1294 O VAL A 82 -13.919 3.411 4.155 1.00 0.00 O ATOM 1295 CB VAL A 82 -13.350 5.341 6.232 1.00 0.00 C ATOM 1296 CG1 VAL A 82 -11.880 5.012 6.443 1.00 0.00 C ATOM 1297 CG2 VAL A 82 -13.786 6.499 7.110 1.00 0.00 C ATOM 0 H VAL A 82 -15.612 5.926 5.371 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.953 6.466 4.453 1.00 0.00 H new ATOM 0 HB VAL A 82 -13.923 4.457 6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.706 4.782 7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.609 4.150 5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.270 5.868 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.583 6.261 8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.235 7.396 6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -14.854 6.673 6.979 1.00 0.00 H new ATOM 1307 N ILE A 83 -12.571 4.616 2.889 1.00 0.00 N ATOM 1308 CA ILE A 83 -12.254 3.644 1.810 1.00 0.00 C ATOM 1309 C ILE A 83 -11.202 2.606 2.235 1.00 0.00 C ATOM 1310 O ILE A 83 -10.315 2.235 1.480 1.00 0.00 O ATOM 1311 CB ILE A 83 -11.914 4.360 0.442 1.00 0.00 C ATOM 1312 CG1 ILE A 83 -13.037 5.348 0.111 1.00 0.00 C ATOM 1313 CG2 ILE A 83 -11.784 3.355 -0.724 1.00 0.00 C ATOM 1314 CD1 ILE A 83 -14.411 4.710 0.110 1.00 0.00 C ATOM 0 H ILE A 83 -12.053 5.487 2.777 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.164 3.071 1.628 1.00 0.00 H new ATOM 0 HB ILE A 83 -10.957 4.868 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.022 6.162 0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.847 5.789 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.550 3.892 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -10.986 2.645 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.724 2.817 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.161 5.463 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -14.442 3.915 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.619 4.293 1.095 1.00 0.00 H new ATOM 1326 N SER A 84 -11.252 2.195 3.457 1.00 0.00 N ATOM 1327 CA SER A 84 -10.153 1.407 3.977 1.00 0.00 C ATOM 1328 C SER A 84 -10.424 -0.065 3.804 1.00 0.00 C ATOM 1329 O SER A 84 -11.542 -0.493 3.738 1.00 0.00 O ATOM 1330 CB SER A 84 -9.930 1.717 5.472 1.00 0.00 C ATOM 1331 OG SER A 84 -8.963 0.836 6.077 1.00 0.00 O ATOM 0 H SER A 84 -12.014 2.377 4.110 1.00 0.00 H new ATOM 0 HA SER A 84 -9.255 1.670 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.596 2.749 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.878 1.632 6.003 1.00 0.00 H new ATOM 0 HG SER A 84 -8.138 1.332 6.260 1.00 0.00 H new ATOM 1337 N THR A 85 -9.398 -0.823 3.649 1.00 0.00 N ATOM 1338 CA THR A 85 -9.548 -2.223 3.673 1.00 0.00 C ATOM 1339 C THR A 85 -9.356 -2.682 5.115 1.00 0.00 C ATOM 1340 O THR A 85 -8.639 -2.015 5.898 1.00 0.00 O ATOM 1341 CB THR A 85 -8.587 -2.919 2.682 1.00 0.00 C ATOM 1342 OG1 THR A 85 -7.243 -2.461 2.875 1.00 0.00 O ATOM 1343 CG2 THR A 85 -9.015 -2.624 1.252 1.00 0.00 C ATOM 0 H THR A 85 -8.445 -0.490 3.504 1.00 0.00 H new ATOM 0 HA THR A 85 -10.545 -2.507 3.337 1.00 0.00 H new ATOM 0 HB THR A 85 -8.626 -3.993 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.760 -2.497 2.023 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.333 -3.117 0.559 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.027 -2.995 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.991 -1.548 1.080 1.00 0.00 H new ATOM 1351 N PHE A 86 -10.050 -3.713 5.501 1.00 0.00 N ATOM 1352 CA PHE A 86 -9.997 -4.215 6.854 1.00 0.00 C ATOM 1353 C PHE A 86 -9.737 -5.692 6.861 1.00 0.00 C ATOM 1354 O PHE A 86 -10.005 -6.386 5.873 1.00 0.00 O ATOM 1355 CB PHE A 86 -11.329 -3.982 7.589 1.00 0.00 C ATOM 1356 CG PHE A 86 -11.624 -2.579 8.030 1.00 0.00 C ATOM 1357 CD1 PHE A 86 -11.836 -1.574 7.120 1.00 0.00 C ATOM 1358 CD2 PHE A 86 -11.736 -2.290 9.377 1.00 0.00 C ATOM 1359 CE1 PHE A 86 -12.154 -0.297 7.541 1.00 0.00 C ATOM 1360 CE2 PHE A 86 -12.046 -1.019 9.809 1.00 0.00 C ATOM 1361 CZ PHE A 86 -12.258 -0.019 8.887 1.00 0.00 C ATOM 0 H PHE A 86 -10.674 -4.236 4.887 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.192 -3.678 7.356 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -12.138 -4.310 6.937 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.348 -4.625 8.469 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.753 -1.783 6.064 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.578 -3.074 10.103 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.321 0.484 6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.122 -0.808 10.865 1.00 0.00 H new ATOM 0 HZ PHE A 86 -12.505 0.979 9.217 1.00 0.00 H new ATOM 1371 N HIS A 87 -9.198 -6.159 7.956 1.00 0.00 N ATOM 1372 CA HIS A 87 -9.079 -7.570 8.199 1.00 0.00 C ATOM 1373 C HIS A 87 -10.319 -7.988 8.939 1.00 0.00 C ATOM 1374 O HIS A 87 -10.479 -7.669 10.131 1.00 0.00 O ATOM 1375 CB HIS A 87 -7.826 -7.930 9.020 1.00 0.00 C ATOM 1376 CG HIS A 87 -6.527 -7.757 8.293 1.00 0.00 C ATOM 1377 ND1 HIS A 87 -5.379 -7.272 8.878 1.00 0.00 N ATOM 1378 CD2 HIS A 87 -6.189 -8.073 7.018 1.00 0.00 C ATOM 1379 CE1 HIS A 87 -4.404 -7.304 7.963 1.00 0.00 C ATOM 1380 NE2 HIS A 87 -4.843 -7.784 6.819 1.00 0.00 N ATOM 0 H HIS A 87 -8.830 -5.571 8.704 1.00 0.00 H new ATOM 0 HA HIS A 87 -8.974 -8.093 7.248 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.808 -7.313 9.919 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.908 -8.967 9.346 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.858 -8.483 6.276 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -3.389 -6.979 8.140 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -4.306 -7.917 5.962 1.00 0.00 H new ATOM 1388 N GLY A 88 -11.206 -8.649 8.248 1.00 0.00 N ATOM 1389 CA GLY A 88 -12.481 -8.990 8.819 1.00 0.00 C ATOM 1390 C GLY A 88 -13.523 -7.936 8.468 1.00 0.00 C ATOM 1391 O GLY A 88 -13.205 -6.959 7.782 1.00 0.00 O ATOM 0 H GLY A 88 -11.070 -8.963 7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.802 -9.964 8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.390 -9.073 9.902 1.00 0.00 H new ATOM 1395 N ARG A 89 -14.758 -8.144 8.913 1.00 0.00 N ATOM 1396 CA ARG A 89 -15.875 -7.235 8.662 1.00 0.00 C ATOM 1397 C ARG A 89 -15.555 -5.819 9.166 1.00 0.00 C ATOM 1398 O ARG A 89 -14.809 -5.662 10.122 1.00 0.00 O ATOM 1399 CB ARG A 89 -17.139 -7.765 9.349 1.00 0.00 C ATOM 1400 CG ARG A 89 -17.685 -9.053 8.764 1.00 0.00 C ATOM 1401 CD ARG A 89 -18.389 -8.824 7.432 1.00 0.00 C ATOM 1402 NE ARG A 89 -18.833 -10.076 6.832 1.00 0.00 N ATOM 1403 CZ ARG A 89 -19.629 -10.173 5.771 1.00 0.00 C ATOM 1404 NH1 ARG A 89 -20.170 -9.083 5.244 1.00 0.00 N ATOM 1405 NH2 ARG A 89 -19.892 -11.365 5.248 1.00 0.00 N ATOM 0 H ARG A 89 -15.017 -8.961 9.467 1.00 0.00 H new ATOM 0 HA ARG A 89 -16.043 -7.183 7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.922 -7.925 10.405 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.914 -7.000 9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -16.869 -9.762 8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -18.383 -9.504 9.470 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -19.247 -8.169 7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -17.713 -8.312 6.747 1.00 0.00 H new ATOM 0 HE ARG A 89 -18.508 -10.944 7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -19.976 -8.169 5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -20.780 -9.159 4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -19.484 -12.204 5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -20.502 -11.442 4.434 1.00 0.00 H new ATOM 1419 N PRO A 90 -16.124 -4.780 8.545 1.00 0.00 N ATOM 1420 CA PRO A 90 -15.827 -3.396 8.885 1.00 0.00 C ATOM 1421 C PRO A 90 -16.433 -2.971 10.222 1.00 0.00 C ATOM 1422 O PRO A 90 -17.583 -2.525 10.300 1.00 0.00 O ATOM 1423 CB PRO A 90 -16.419 -2.578 7.723 1.00 0.00 C ATOM 1424 CG PRO A 90 -16.917 -3.589 6.733 1.00 0.00 C ATOM 1425 CD PRO A 90 -17.118 -4.865 7.491 1.00 0.00 C ATOM 0 HA PRO A 90 -14.755 -3.242 9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.229 -1.935 8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.666 -1.929 7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -17.850 -3.258 6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.198 -3.727 5.925 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -18.128 -4.940 7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.962 -5.739 6.859 1.00 0.00 H new ATOM 1433 N GLU A 91 -15.700 -3.224 11.263 1.00 0.00 N ATOM 1434 CA GLU A 91 -16.062 -2.850 12.598 1.00 0.00 C ATOM 1435 C GLU A 91 -14.789 -2.396 13.313 1.00 0.00 C ATOM 1436 O GLU A 91 -13.702 -2.697 12.837 1.00 0.00 O ATOM 1437 CB GLU A 91 -16.747 -4.039 13.306 1.00 0.00 C ATOM 1438 CG GLU A 91 -15.915 -5.289 13.391 1.00 0.00 C ATOM 1439 CD GLU A 91 -16.678 -6.444 13.972 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -17.629 -6.922 13.329 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -16.322 -6.914 15.060 1.00 0.00 O ATOM 0 H GLU A 91 -14.806 -3.711 11.206 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.779 -2.029 12.604 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.021 -3.733 14.316 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.673 -4.271 12.781 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.560 -5.555 12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.033 -5.095 14.002 1.00 0.00 H new ATOM 1448 N PRO A 92 -14.890 -1.682 14.450 1.00 0.00 N ATOM 1449 CA PRO A 92 -13.714 -1.190 15.200 1.00 0.00 C ATOM 1450 C PRO A 92 -12.895 -2.310 15.835 1.00 0.00 C ATOM 1451 O PRO A 92 -11.774 -2.092 16.319 1.00 0.00 O ATOM 1452 CB PRO A 92 -14.304 -0.318 16.292 1.00 0.00 C ATOM 1453 CG PRO A 92 -15.734 -0.703 16.394 1.00 0.00 C ATOM 1454 CD PRO A 92 -16.143 -1.257 15.071 1.00 0.00 C ATOM 0 HA PRO A 92 -13.028 -0.668 14.533 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.789 -0.477 17.239 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.201 0.739 16.046 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.877 -1.444 17.181 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.346 0.160 16.654 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.832 -2.093 15.187 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -16.651 -0.506 14.466 1.00 0.00 H new ATOM 1462 N ALA A 93 -13.466 -3.490 15.856 1.00 0.00 N ATOM 1463 CA ALA A 93 -12.788 -4.650 16.357 1.00 0.00 C ATOM 1464 C ALA A 93 -11.883 -5.205 15.268 1.00 0.00 C ATOM 1465 O ALA A 93 -11.001 -6.041 15.512 1.00 0.00 O ATOM 1466 CB ALA A 93 -13.795 -5.669 16.819 1.00 0.00 C ATOM 0 H ALA A 93 -14.414 -3.668 15.525 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.170 -4.387 17.215 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.275 -6.548 17.199 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.409 -5.240 17.611 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.431 -5.957 15.982 1.00 0.00 H new ATOM 1472 N SER A 94 -12.094 -4.719 14.079 1.00 0.00 N ATOM 1473 CA SER A 94 -11.289 -5.052 12.968 1.00 0.00 C ATOM 1474 C SER A 94 -10.341 -3.889 12.745 1.00 0.00 C ATOM 1475 O SER A 94 -10.646 -2.753 13.140 1.00 0.00 O ATOM 1476 CB SER A 94 -12.169 -5.288 11.765 1.00 0.00 C ATOM 1477 OG SER A 94 -13.145 -6.282 12.054 1.00 0.00 O ATOM 0 H SER A 94 -12.849 -4.068 13.863 1.00 0.00 H new ATOM 0 HA SER A 94 -10.719 -5.965 13.138 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.661 -4.359 11.478 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.561 -5.602 10.917 1.00 0.00 H new ATOM 0 HG SER A 94 -13.754 -6.374 11.292 1.00 0.00 H new ATOM 1483 N GLU A 95 -9.206 -4.140 12.179 1.00 0.00 N ATOM 1484 CA GLU A 95 -8.254 -3.090 12.023 1.00 0.00 C ATOM 1485 C GLU A 95 -8.391 -2.414 10.653 1.00 0.00 C ATOM 1486 O GLU A 95 -8.588 -3.090 9.628 1.00 0.00 O ATOM 1487 CB GLU A 95 -6.833 -3.616 12.211 1.00 0.00 C ATOM 1488 CG GLU A 95 -6.379 -4.528 11.103 1.00 0.00 C ATOM 1489 CD GLU A 95 -4.995 -5.044 11.302 1.00 0.00 C ATOM 1490 OE1 GLU A 95 -4.030 -4.366 10.909 1.00 0.00 O ATOM 1491 OE2 GLU A 95 -4.840 -6.149 11.853 1.00 0.00 O ATOM 0 H GLU A 95 -8.918 -5.051 11.821 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.456 -2.345 12.792 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.147 -2.771 12.279 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.775 -4.152 13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.067 -5.370 11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.428 -3.991 10.156 1.00 0.00 H new ATOM 1498 N PRO A 96 -8.345 -1.088 10.621 1.00 0.00 N ATOM 1499 CA PRO A 96 -8.283 -0.359 9.395 1.00 0.00 C ATOM 1500 C PRO A 96 -6.839 -0.342 8.959 1.00 0.00 C ATOM 1501 O PRO A 96 -5.978 0.313 9.580 1.00 0.00 O ATOM 1502 CB PRO A 96 -8.780 1.041 9.741 1.00 0.00 C ATOM 1503 CG PRO A 96 -8.784 1.122 11.231 1.00 0.00 C ATOM 1504 CD PRO A 96 -8.338 -0.212 11.779 1.00 0.00 C ATOM 0 HA PRO A 96 -8.879 -0.783 8.587 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -8.130 1.803 9.311 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.779 1.211 9.339 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.116 1.914 11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.781 1.368 11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.346 -0.148 12.225 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.014 -0.571 12.555 1.00 0.00 H new ATOM 1512 N ILE A 97 -6.578 -1.105 7.956 1.00 0.00 N ATOM 1513 CA ILE A 97 -5.230 -1.382 7.477 1.00 0.00 C ATOM 1514 C ILE A 97 -4.508 -0.099 7.037 1.00 0.00 C ATOM 1515 O ILE A 97 -3.334 0.091 7.317 1.00 0.00 O ATOM 1516 CB ILE A 97 -5.293 -2.406 6.316 1.00 0.00 C ATOM 1517 CG1 ILE A 97 -6.061 -3.660 6.772 1.00 0.00 C ATOM 1518 CG2 ILE A 97 -3.886 -2.783 5.842 1.00 0.00 C ATOM 1519 CD1 ILE A 97 -6.420 -4.601 5.648 1.00 0.00 C ATOM 0 H ILE A 97 -7.304 -1.577 7.417 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.653 -1.806 8.299 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.818 -1.950 5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.458 -4.197 7.504 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.975 -3.350 7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.957 -3.503 5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.368 -1.890 5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.330 -3.225 6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.959 -5.459 6.050 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.051 -4.082 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.510 -4.943 5.155 1.00 0.00 H new ATOM 1531 N GLN A 98 -5.233 0.773 6.398 1.00 0.00 N ATOM 1532 CA GLN A 98 -4.704 2.031 5.897 1.00 0.00 C ATOM 1533 C GLN A 98 -5.899 2.952 5.773 1.00 0.00 C ATOM 1534 O GLN A 98 -6.918 2.675 6.371 1.00 0.00 O ATOM 1535 CB GLN A 98 -4.031 1.827 4.490 1.00 0.00 C ATOM 1536 CG GLN A 98 -4.997 1.755 3.280 1.00 0.00 C ATOM 1537 CD GLN A 98 -6.016 0.632 3.326 1.00 0.00 C ATOM 1538 OE1 GLN A 98 -7.128 0.778 2.867 1.00 0.00 O ATOM 1539 NE2 GLN A 98 -5.637 -0.485 3.817 1.00 0.00 N ATOM 0 H GLN A 98 -6.225 0.638 6.202 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.941 2.437 6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.330 2.645 4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.447 0.907 4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -5.530 2.703 3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.406 1.649 2.371 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.695 -0.582 4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.276 -1.280 3.829 1.00 0.00 H new ATOM 1548 N SER A 99 -5.769 4.045 5.092 1.00 0.00 N ATOM 1549 CA SER A 99 -6.914 4.791 4.712 1.00 0.00 C ATOM 1550 C SER A 99 -6.608 5.429 3.372 1.00 0.00 C ATOM 1551 O SER A 99 -5.490 5.916 3.160 1.00 0.00 O ATOM 1552 CB SER A 99 -7.307 5.837 5.764 1.00 0.00 C ATOM 1553 OG SER A 99 -8.537 6.456 5.431 1.00 0.00 O ATOM 0 H SER A 99 -4.877 4.437 4.789 1.00 0.00 H new ATOM 0 HA SER A 99 -7.777 4.130 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.388 5.362 6.742 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.525 6.592 5.841 1.00 0.00 H new ATOM 0 HG SER A 99 -8.767 7.117 6.117 1.00 0.00 H new ATOM 1559 N PHE A 100 -7.540 5.358 2.451 1.00 0.00 N ATOM 1560 CA PHE A 100 -7.351 5.978 1.157 1.00 0.00 C ATOM 1561 C PHE A 100 -8.114 7.281 1.082 1.00 0.00 C ATOM 1562 O PHE A 100 -7.533 8.362 1.175 1.00 0.00 O ATOM 1563 CB PHE A 100 -7.756 5.046 0.001 1.00 0.00 C ATOM 1564 CG PHE A 100 -6.879 3.839 -0.159 1.00 0.00 C ATOM 1565 CD1 PHE A 100 -5.554 3.990 -0.521 1.00 0.00 C ATOM 1566 CD2 PHE A 100 -7.372 2.560 0.047 1.00 0.00 C ATOM 1567 CE1 PHE A 100 -4.737 2.897 -0.676 1.00 0.00 C ATOM 1568 CE2 PHE A 100 -6.553 1.459 -0.112 1.00 0.00 C ATOM 1569 CZ PHE A 100 -5.237 1.630 -0.473 1.00 0.00 C ATOM 0 H PHE A 100 -8.433 4.880 2.571 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.286 6.182 1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.783 4.716 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.744 5.614 -0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.156 4.981 -0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.404 2.423 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.703 3.031 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.946 0.465 0.047 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.595 0.770 -0.597 1.00 0.00 H new ATOM 1579 N PHE A 101 -9.413 7.176 0.975 1.00 0.00 N ATOM 1580 CA PHE A 101 -10.279 8.326 0.836 1.00 0.00 C ATOM 1581 C PHE A 101 -11.360 8.312 1.872 1.00 0.00 C ATOM 1582 O PHE A 101 -11.629 7.272 2.491 1.00 0.00 O ATOM 1583 CB PHE A 101 -10.981 8.318 -0.538 1.00 0.00 C ATOM 1584 CG PHE A 101 -10.146 8.677 -1.726 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -9.239 7.784 -2.267 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -10.296 9.915 -2.314 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -8.491 8.124 -3.375 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -9.553 10.265 -3.422 1.00 0.00 C ATOM 1589 CZ PHE A 101 -8.646 9.369 -3.952 1.00 0.00 C ATOM 0 H PHE A 101 -9.907 6.284 0.982 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.649 9.208 0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.394 7.323 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -11.822 9.009 -0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.115 6.810 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -11.004 10.619 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.786 7.419 -3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -9.680 11.238 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.059 9.641 -4.816 1.00 0.00 H new ATOM 1599 N GLN A 102 -11.935 9.465 2.083 1.00 0.00 N ATOM 1600 CA GLN A 102 -13.174 9.598 2.787 1.00 0.00 C ATOM 1601 C GLN A 102 -14.155 10.240 1.866 1.00 0.00 C ATOM 1602 O GLN A 102 -13.930 11.331 1.362 1.00 0.00 O ATOM 1603 CB GLN A 102 -13.064 10.363 4.091 1.00 0.00 C ATOM 1604 CG GLN A 102 -12.772 9.470 5.278 1.00 0.00 C ATOM 1605 CD GLN A 102 -12.769 10.210 6.597 1.00 0.00 C ATOM 1606 OE1 GLN A 102 -12.057 9.838 7.530 1.00 0.00 O ATOM 1607 NE2 GLN A 102 -13.587 11.232 6.709 1.00 0.00 N ATOM 0 H GLN A 102 -11.546 10.352 1.763 1.00 0.00 H new ATOM 0 HA GLN A 102 -13.505 8.602 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -12.275 11.110 4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -13.994 10.902 4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -13.516 8.675 5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -11.803 8.993 5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -14.163 11.514 5.916 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.646 11.744 7.589 1.00 0.00 H new ATOM 1616 N ILE A 103 -15.206 9.560 1.605 1.00 0.00 N ATOM 1617 CA ILE A 103 -16.171 10.032 0.646 1.00 0.00 C ATOM 1618 C ILE A 103 -17.538 10.198 1.295 1.00 0.00 C ATOM 1619 O ILE A 103 -17.795 9.675 2.386 1.00 0.00 O ATOM 1620 CB ILE A 103 -16.247 9.100 -0.613 1.00 0.00 C ATOM 1621 CG1 ILE A 103 -16.823 7.732 -0.242 1.00 0.00 C ATOM 1622 CG2 ILE A 103 -14.842 8.932 -1.226 1.00 0.00 C ATOM 1623 CD1 ILE A 103 -16.993 6.806 -1.420 1.00 0.00 C ATOM 0 H ILE A 103 -15.435 8.665 2.038 1.00 0.00 H new ATOM 0 HA ILE A 103 -15.839 11.010 0.298 1.00 0.00 H new ATOM 0 HB ILE A 103 -16.907 9.563 -1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -16.168 7.258 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.790 7.874 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -14.902 8.284 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -14.456 9.907 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -14.174 8.487 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.406 5.856 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.672 7.258 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -16.025 6.633 -1.890 1.00 0.00 H new ATOM 1635 N ASP A 104 -18.391 10.949 0.673 1.00 0.00 N ATOM 1636 CA ASP A 104 -19.711 11.176 1.217 1.00 0.00 C ATOM 1637 C ASP A 104 -20.577 9.989 0.901 1.00 0.00 C ATOM 1638 O ASP A 104 -20.988 9.780 -0.259 1.00 0.00 O ATOM 1639 CB ASP A 104 -20.336 12.376 0.585 1.00 0.00 C ATOM 1640 CG ASP A 104 -21.478 12.967 1.360 1.00 0.00 C ATOM 1641 OD1 ASP A 104 -21.291 13.370 2.516 1.00 0.00 O ATOM 1642 OD2 ASP A 104 -22.567 13.101 0.799 1.00 0.00 O ATOM 0 H ASP A 104 -18.206 11.420 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 104 -19.624 11.329 2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -19.570 13.140 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -20.691 12.104 -0.409 1.00 0.00 H new ATOM 1647 N LEU A 105 -20.869 9.206 1.888 1.00 0.00 N ATOM 1648 CA LEU A 105 -21.664 8.031 1.664 1.00 0.00 C ATOM 1649 C LEU A 105 -23.042 8.369 1.226 1.00 0.00 C ATOM 1650 O LEU A 105 -23.631 7.665 0.421 1.00 0.00 O ATOM 1651 CB LEU A 105 -21.729 7.097 2.839 1.00 0.00 C ATOM 1652 CG LEU A 105 -20.510 6.270 3.176 1.00 0.00 C ATOM 1653 CD1 LEU A 105 -20.989 5.034 3.873 1.00 0.00 C ATOM 1654 CD2 LEU A 105 -19.708 5.893 1.945 1.00 0.00 C ATOM 0 H LEU A 105 -20.574 9.352 2.853 1.00 0.00 H new ATOM 0 HA LEU A 105 -21.144 7.504 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -21.980 7.689 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -22.558 6.410 2.670 1.00 0.00 H new ATOM 0 HG LEU A 105 -19.844 6.856 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -20.135 4.409 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -21.525 5.313 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -21.656 4.480 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -18.843 5.300 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -20.333 5.310 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -19.371 6.798 1.439 1.00 0.00 H new ATOM 1666 N GLU A 106 -23.544 9.441 1.719 1.00 0.00 N ATOM 1667 CA GLU A 106 -24.840 9.873 1.364 1.00 0.00 C ATOM 1668 C GLU A 106 -24.876 10.502 -0.038 1.00 0.00 C ATOM 1669 O GLU A 106 -25.948 10.793 -0.570 1.00 0.00 O ATOM 1670 CB GLU A 106 -25.413 10.757 2.452 1.00 0.00 C ATOM 1671 CG GLU A 106 -24.487 11.842 2.946 1.00 0.00 C ATOM 1672 CD GLU A 106 -25.135 12.688 3.994 1.00 0.00 C ATOM 1673 OE1 GLU A 106 -25.233 12.244 5.146 1.00 0.00 O ATOM 1674 OE2 GLU A 106 -25.568 13.816 3.682 1.00 0.00 O ATOM 0 H GLU A 106 -23.062 10.046 2.384 1.00 0.00 H new ATOM 0 HA GLU A 106 -25.494 9.004 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -26.326 11.221 2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -25.697 10.130 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -23.581 11.391 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -24.183 12.470 2.108 1.00 0.00 H new ATOM 1681 N ARG A 107 -23.697 10.750 -0.628 1.00 0.00 N ATOM 1682 CA ARG A 107 -23.639 11.225 -1.991 1.00 0.00 C ATOM 1683 C ARG A 107 -23.618 10.025 -2.932 1.00 0.00 C ATOM 1684 O ARG A 107 -23.901 10.157 -4.127 1.00 0.00 O ATOM 1685 CB ARG A 107 -22.460 12.167 -2.230 1.00 0.00 C ATOM 1686 CG ARG A 107 -21.193 11.511 -2.708 1.00 0.00 C ATOM 1687 CD ARG A 107 -20.047 12.477 -2.816 1.00 0.00 C ATOM 1688 NE ARG A 107 -20.332 13.631 -3.630 1.00 0.00 N ATOM 1689 CZ ARG A 107 -19.393 14.433 -4.114 1.00 0.00 C ATOM 1690 NH1 ARG A 107 -18.152 14.329 -3.654 1.00 0.00 N ATOM 1691 NH2 ARG A 107 -19.700 15.371 -5.001 1.00 0.00 N ATOM 0 H ARG A 107 -22.790 10.627 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 107 -24.529 11.821 -2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -22.759 12.917 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -22.246 12.696 -1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -20.923 10.708 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -21.370 11.053 -3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -19.769 12.810 -1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -19.183 11.957 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 107 -21.306 13.842 -3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.930 13.638 -2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.420 14.940 -4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.664 15.479 -5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.972 15.984 -5.368 1.00 0.00 H new ATOM 1705 N LEU A 108 -23.269 8.842 -2.376 1.00 0.00 N ATOM 1706 CA LEU A 108 -23.420 7.570 -3.109 1.00 0.00 C ATOM 1707 C LEU A 108 -24.876 7.328 -3.469 1.00 0.00 C ATOM 1708 O LEU A 108 -25.769 8.105 -3.088 1.00 0.00 O ATOM 1709 CB LEU A 108 -22.894 6.328 -2.320 1.00 0.00 C ATOM 1710 CG LEU A 108 -21.416 6.051 -2.397 1.00 0.00 C ATOM 1711 CD1 LEU A 108 -20.608 6.742 -1.371 1.00 0.00 C ATOM 1712 CD2 LEU A 108 -21.080 4.586 -2.523 1.00 0.00 C ATOM 0 H LEU A 108 -22.886 8.745 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 108 -22.811 7.678 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -23.162 6.454 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -23.424 5.447 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 108 -21.114 6.506 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -19.557 6.485 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -20.734 7.820 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -20.937 6.432 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -19.998 4.464 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -21.466 4.048 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -21.533 4.186 -3.430 1.00 0.00 H new ATOM 1724 N GLU A 109 -25.111 6.276 -4.217 1.00 0.00 N ATOM 1725 CA GLU A 109 -26.453 5.893 -4.573 1.00 0.00 C ATOM 1726 C GLU A 109 -27.213 5.438 -3.316 1.00 0.00 C ATOM 1727 O GLU A 109 -27.866 6.251 -2.658 1.00 0.00 O ATOM 1728 CB GLU A 109 -26.442 4.814 -5.646 1.00 0.00 C ATOM 1729 CG GLU A 109 -25.723 5.220 -6.912 1.00 0.00 C ATOM 1730 CD GLU A 109 -25.768 4.147 -7.959 1.00 0.00 C ATOM 1731 OE1 GLU A 109 -24.910 3.234 -7.935 1.00 0.00 O ATOM 1732 OE2 GLU A 109 -26.663 4.184 -8.821 1.00 0.00 O ATOM 0 H GLU A 109 -24.383 5.667 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 109 -26.972 6.755 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -25.970 3.918 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -27.470 4.549 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -26.174 6.130 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -24.684 5.454 -6.679 1.00 0.00 H new ATOM 1739 N SER A 110 -27.109 4.168 -2.964 1.00 0.00 N ATOM 1740 CA SER A 110 -27.698 3.674 -1.729 1.00 0.00 C ATOM 1741 C SER A 110 -27.024 2.386 -1.252 1.00 0.00 C ATOM 1742 O SER A 110 -26.133 2.421 -0.411 1.00 0.00 O ATOM 1743 CB SER A 110 -29.230 3.479 -1.843 1.00 0.00 C ATOM 1744 OG SER A 110 -29.908 4.708 -2.074 1.00 0.00 O ATOM 0 H SER A 110 -26.623 3.460 -3.514 1.00 0.00 H new ATOM 0 HA SER A 110 -27.521 4.445 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 110 -29.448 2.786 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 110 -29.607 3.024 -0.927 1.00 0.00 H new ATOM 0 HG SER A 110 -29.290 5.455 -1.929 1.00 0.00 H new ATOM 1750 N HIS A 111 -27.371 1.266 -1.859 1.00 0.00 N ATOM 1751 CA HIS A 111 -26.924 -0.029 -1.356 1.00 0.00 C ATOM 1752 C HIS A 111 -25.454 -0.336 -1.655 1.00 0.00 C ATOM 1753 O HIS A 111 -24.884 -1.235 -1.050 1.00 0.00 O ATOM 1754 CB HIS A 111 -27.865 -1.190 -1.787 1.00 0.00 C ATOM 1755 CG HIS A 111 -27.992 -1.424 -3.278 1.00 0.00 C ATOM 1756 ND1 HIS A 111 -29.042 -0.963 -4.045 1.00 0.00 N ATOM 1757 CD2 HIS A 111 -27.193 -2.120 -4.128 1.00 0.00 C ATOM 1758 CE1 HIS A 111 -28.860 -1.380 -5.300 1.00 0.00 C ATOM 1759 NE2 HIS A 111 -27.747 -2.090 -5.407 1.00 0.00 N ATOM 0 H HIS A 111 -27.955 1.221 -2.694 1.00 0.00 H new ATOM 0 HA HIS A 111 -26.989 0.050 -0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -27.509 -2.110 -1.324 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -28.859 -0.994 -1.384 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -26.274 -2.618 -3.856 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -29.531 -1.167 -6.119 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -27.373 -2.525 -6.250 1.00 0.00 H new ATOM 1767 N MET A 112 -24.842 0.401 -2.575 1.00 0.00 N ATOM 1768 CA MET A 112 -23.420 0.185 -2.858 1.00 0.00 C ATOM 1769 C MET A 112 -22.540 0.539 -1.657 1.00 0.00 C ATOM 1770 O MET A 112 -21.669 -0.239 -1.285 1.00 0.00 O ATOM 1771 CB MET A 112 -22.925 0.889 -4.127 1.00 0.00 C ATOM 1772 CG MET A 112 -23.141 2.373 -4.174 1.00 0.00 C ATOM 1773 SD MET A 112 -22.368 3.120 -5.612 1.00 0.00 S ATOM 1774 CE MET A 112 -20.674 2.500 -5.458 1.00 0.00 C ATOM 0 H MET A 112 -25.289 1.134 -3.126 1.00 0.00 H new ATOM 0 HA MET A 112 -23.328 -0.884 -3.050 1.00 0.00 H new ATOM 0 HB2 MET A 112 -21.859 0.692 -4.237 1.00 0.00 H new ATOM 0 HB3 MET A 112 -23.423 0.440 -4.987 1.00 0.00 H new ATOM 0 HG2 MET A 112 -24.210 2.583 -4.187 1.00 0.00 H new ATOM 0 HG3 MET A 112 -22.738 2.827 -3.269 1.00 0.00 H new ATOM 0 HE1 MET A 112 -19.971 3.296 -5.704 1.00 0.00 H new ATOM 0 HE2 MET A 112 -20.500 2.166 -4.435 1.00 0.00 H new ATOM 0 HE3 MET A 112 -20.529 1.664 -6.142 1.00 0.00 H new ATOM 1784 N GLN A 113 -22.798 1.688 -1.013 1.00 0.00 N ATOM 1785 CA GLN A 113 -22.020 2.047 0.166 1.00 0.00 C ATOM 1786 C GLN A 113 -22.354 1.123 1.297 1.00 0.00 C ATOM 1787 O GLN A 113 -21.497 0.735 2.050 1.00 0.00 O ATOM 1788 CB GLN A 113 -22.132 3.534 0.564 1.00 0.00 C ATOM 1789 CG GLN A 113 -23.504 4.084 0.424 1.00 0.00 C ATOM 1790 CD GLN A 113 -24.246 4.337 1.700 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -24.843 3.455 2.268 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -24.347 5.562 2.053 1.00 0.00 N ATOM 0 H GLN A 113 -23.516 2.360 -1.283 1.00 0.00 H new ATOM 0 HA GLN A 113 -20.969 1.920 -0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -21.806 3.651 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -21.450 4.119 -0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -23.443 5.021 -0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -24.090 3.394 -0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -23.828 6.282 1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -24.947 5.819 2.837 1.00 0.00 H new ATOM 1801 N LYS A 114 -23.614 0.735 1.361 1.00 0.00 N ATOM 1802 CA LYS A 114 -24.064 -0.245 2.356 1.00 0.00 C ATOM 1803 C LYS A 114 -23.380 -1.613 2.193 1.00 0.00 C ATOM 1804 O LYS A 114 -23.198 -2.344 3.167 1.00 0.00 O ATOM 1805 CB LYS A 114 -25.588 -0.386 2.394 1.00 0.00 C ATOM 1806 CG LYS A 114 -26.267 0.902 2.778 1.00 0.00 C ATOM 1807 CD LYS A 114 -27.731 0.744 3.078 1.00 0.00 C ATOM 1808 CE LYS A 114 -28.314 2.093 3.463 1.00 0.00 C ATOM 1809 NZ LYS A 114 -29.691 1.995 3.976 1.00 0.00 N ATOM 0 H LYS A 114 -24.349 1.077 0.742 1.00 0.00 H new ATOM 0 HA LYS A 114 -23.754 0.154 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -25.946 -0.707 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -25.862 -1.166 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -25.768 1.319 3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -26.146 1.622 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -28.251 0.345 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -27.873 0.029 3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -27.681 2.554 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -28.301 2.751 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -30.038 2.944 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -30.305 1.581 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -29.704 1.391 4.822 1.00 0.00 H new ATOM 1823 N ASN A 115 -22.992 -1.951 0.968 1.00 0.00 N ATOM 1824 CA ASN A 115 -22.264 -3.189 0.716 1.00 0.00 C ATOM 1825 C ASN A 115 -20.880 -3.057 1.324 1.00 0.00 C ATOM 1826 O ASN A 115 -20.370 -3.961 1.976 1.00 0.00 O ATOM 1827 CB ASN A 115 -22.146 -3.449 -0.793 1.00 0.00 C ATOM 1828 CG ASN A 115 -21.651 -4.837 -1.131 1.00 0.00 C ATOM 1829 OD1 ASN A 115 -21.865 -5.795 -0.391 1.00 0.00 O ATOM 1830 ND2 ASN A 115 -21.035 -4.959 -2.268 1.00 0.00 N ATOM 0 H ASN A 115 -23.169 -1.387 0.137 1.00 0.00 H new ATOM 0 HA ASN A 115 -22.799 -4.027 1.163 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -23.121 -3.297 -1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -21.468 -2.715 -1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -20.709 -5.875 -2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -20.877 -4.139 -2.853 1.00 0.00 H new ATOM 1837 N LEU A 116 -20.318 -1.882 1.162 1.00 0.00 N ATOM 1838 CA LEU A 116 -18.999 -1.552 1.684 1.00 0.00 C ATOM 1839 C LEU A 116 -19.035 -1.537 3.227 1.00 0.00 C ATOM 1840 O LEU A 116 -18.050 -1.862 3.892 1.00 0.00 O ATOM 1841 CB LEU A 116 -18.603 -0.172 1.188 1.00 0.00 C ATOM 1842 CG LEU A 116 -18.746 0.105 -0.314 1.00 0.00 C ATOM 1843 CD1 LEU A 116 -18.574 1.580 -0.581 1.00 0.00 C ATOM 1844 CD2 LEU A 116 -17.726 -0.683 -1.117 1.00 0.00 C ATOM 0 H LEU A 116 -20.764 -1.115 0.659 1.00 0.00 H new ATOM 0 HA LEU A 116 -18.279 -2.297 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -19.202 0.564 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -17.563 0.000 1.465 1.00 0.00 H new ATOM 0 HG LEU A 116 -19.742 -0.210 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -18.677 1.771 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -19.336 2.139 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -17.585 1.897 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -17.852 -0.466 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.721 -0.400 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.872 -1.749 -0.945 1.00 0.00 H new ATOM 1856 N LEU A 117 -20.186 -1.141 3.769 1.00 0.00 N ATOM 1857 CA LEU A 117 -20.419 -1.095 5.217 1.00 0.00 C ATOM 1858 C LEU A 117 -20.483 -2.488 5.810 1.00 0.00 C ATOM 1859 O LEU A 117 -20.109 -2.697 6.967 1.00 0.00 O ATOM 1860 CB LEU A 117 -21.752 -0.416 5.542 1.00 0.00 C ATOM 1861 CG LEU A 117 -21.985 0.980 5.000 1.00 0.00 C ATOM 1862 CD1 LEU A 117 -23.316 1.504 5.455 1.00 0.00 C ATOM 1863 CD2 LEU A 117 -20.897 1.913 5.417 1.00 0.00 C ATOM 0 H LEU A 117 -20.989 -0.841 3.216 1.00 0.00 H new ATOM 0 HA LEU A 117 -19.586 -0.535 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -22.553 -1.057 5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -21.851 -0.375 6.627 1.00 0.00 H new ATOM 0 HG LEU A 117 -21.980 0.919 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -23.467 2.507 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -24.108 0.847 5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -23.341 1.538 6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -21.094 2.906 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -20.860 1.966 6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -19.941 1.550 5.039 1.00 0.00 H new ATOM 1875 N LYS A 118 -21.003 -3.430 5.049 1.00 0.00 N ATOM 1876 CA LYS A 118 -21.168 -4.771 5.556 1.00 0.00 C ATOM 1877 C LYS A 118 -19.895 -5.563 5.326 1.00 0.00 C ATOM 1878 O LYS A 118 -19.631 -6.528 6.020 1.00 0.00 O ATOM 1879 CB LYS A 118 -22.377 -5.460 4.897 1.00 0.00 C ATOM 1880 CG LYS A 118 -22.093 -6.093 3.552 1.00 0.00 C ATOM 1881 CD LYS A 118 -23.291 -6.004 2.617 1.00 0.00 C ATOM 1882 CE LYS A 118 -24.493 -6.766 3.111 1.00 0.00 C ATOM 1883 NZ LYS A 118 -25.622 -6.678 2.151 1.00 0.00 N ATOM 0 H LYS A 118 -21.315 -3.291 4.088 1.00 0.00 H new ATOM 0 HA LYS A 118 -21.362 -4.725 6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -22.752 -6.229 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -23.174 -4.726 4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -21.237 -5.600 3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -21.820 -7.139 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -23.563 -4.957 2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -23.006 -6.385 1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -24.225 -7.811 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -24.804 -6.371 4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -26.434 -7.213 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -25.892 -5.682 2.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -25.331 -7.078 1.236 1.00 0.00 H new ATOM 1897 N GLY A 119 -19.119 -5.159 4.342 1.00 0.00 N ATOM 1898 CA GLY A 119 -17.889 -5.806 4.065 1.00 0.00 C ATOM 1899 C GLY A 119 -17.878 -6.468 2.715 1.00 0.00 C ATOM 1900 O GLY A 119 -18.700 -7.352 2.430 1.00 0.00 O ATOM 0 H GLY A 119 -19.336 -4.376 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -17.080 -5.078 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -17.694 -6.553 4.834 1.00 0.00 H new ATOM 1904 N ILE A 120 -16.955 -6.051 1.890 1.00 0.00 N ATOM 1905 CA ILE A 120 -16.782 -6.644 0.574 1.00 0.00 C ATOM 1906 C ILE A 120 -15.855 -7.811 0.718 1.00 0.00 C ATOM 1907 O ILE A 120 -14.756 -7.617 1.171 1.00 0.00 O ATOM 1908 CB ILE A 120 -16.116 -5.646 -0.428 1.00 0.00 C ATOM 1909 CG1 ILE A 120 -16.847 -4.311 -0.426 1.00 0.00 C ATOM 1910 CG2 ILE A 120 -16.070 -6.230 -1.844 1.00 0.00 C ATOM 1911 CD1 ILE A 120 -18.311 -4.468 -0.616 1.00 0.00 C ATOM 0 H ILE A 120 -16.302 -5.297 2.101 1.00 0.00 H new ATOM 0 HA ILE A 120 -17.763 -6.927 0.192 1.00 0.00 H new ATOM 0 HB ILE A 120 -15.091 -5.479 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -16.659 -3.798 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -16.446 -3.679 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -15.602 -5.513 -2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -15.492 -7.154 -1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -17.084 -6.439 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -18.786 -3.487 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -18.504 -4.956 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -18.719 -5.077 0.191 1.00 0.00 H new ATOM 1923 N PRO A 121 -16.243 -9.020 0.292 1.00 0.00 N ATOM 1924 CA PRO A 121 -15.395 -10.256 0.408 1.00 0.00 C ATOM 1925 C PRO A 121 -14.170 -10.241 -0.541 1.00 0.00 C ATOM 1926 O PRO A 121 -13.644 -11.298 -0.939 1.00 0.00 O ATOM 1927 CB PRO A 121 -16.364 -11.353 -0.026 1.00 0.00 C ATOM 1928 CG PRO A 121 -17.326 -10.666 -0.931 1.00 0.00 C ATOM 1929 CD PRO A 121 -17.542 -9.315 -0.342 1.00 0.00 C ATOM 0 HA PRO A 121 -14.976 -10.372 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -15.844 -12.161 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -16.872 -11.795 0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -16.927 -10.592 -1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.263 -11.218 -0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -17.796 -8.578 -1.104 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.355 -9.316 0.384 1.00 0.00 H new ATOM 1937 N PHE A 122 -13.725 -9.042 -0.845 1.00 0.00 N ATOM 1938 CA PHE A 122 -12.649 -8.741 -1.755 1.00 0.00 C ATOM 1939 C PHE A 122 -12.959 -9.145 -3.182 1.00 0.00 C ATOM 1940 O PHE A 122 -13.968 -9.798 -3.468 1.00 0.00 O ATOM 1941 CB PHE A 122 -11.300 -9.276 -1.278 1.00 0.00 C ATOM 1942 CG PHE A 122 -10.311 -8.187 -0.966 1.00 0.00 C ATOM 1943 CD1 PHE A 122 -10.584 -7.245 0.008 1.00 0.00 C ATOM 1944 CD2 PHE A 122 -9.118 -8.096 -1.659 1.00 0.00 C ATOM 1945 CE1 PHE A 122 -9.687 -6.238 0.292 1.00 0.00 C ATOM 1946 CE2 PHE A 122 -8.216 -7.087 -1.379 1.00 0.00 C ATOM 1947 CZ PHE A 122 -8.502 -6.157 -0.402 1.00 0.00 C ATOM 0 H PHE A 122 -14.132 -8.201 -0.436 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.559 -7.655 -1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -11.452 -9.887 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -10.883 -9.929 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -11.514 -7.299 0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -8.889 -8.820 -2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -9.914 -5.513 1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -7.287 -7.027 -1.926 1.00 0.00 H new ATOM 0 HZ PHE A 122 -7.798 -5.368 -0.182 1.00 0.00 H new ATOM 1957 N ARG A 123 -12.120 -8.716 -4.065 1.00 0.00 N ATOM 1958 CA ARG A 123 -12.248 -8.951 -5.470 1.00 0.00 C ATOM 1959 C ARG A 123 -10.831 -9.045 -5.984 1.00 0.00 C ATOM 1960 O ARG A 123 -9.909 -8.819 -5.212 1.00 0.00 O ATOM 1961 CB ARG A 123 -13.005 -7.789 -6.166 1.00 0.00 C ATOM 1962 CG ARG A 123 -14.421 -7.518 -5.651 1.00 0.00 C ATOM 1963 CD ARG A 123 -15.076 -6.342 -6.369 1.00 0.00 C ATOM 1964 NE ARG A 123 -16.422 -6.045 -5.830 1.00 0.00 N ATOM 1965 CZ ARG A 123 -17.139 -4.930 -6.090 1.00 0.00 C ATOM 1966 NH1 ARG A 123 -16.681 -4.037 -6.957 1.00 0.00 N ATOM 1967 NH2 ARG A 123 -18.322 -4.744 -5.508 1.00 0.00 N ATOM 0 H ARG A 123 -11.293 -8.171 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.821 -9.855 -5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -12.417 -6.878 -6.054 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.061 -8.004 -7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -15.032 -8.410 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -14.385 -7.314 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.443 -5.460 -6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -15.152 -6.564 -7.433 1.00 0.00 H new ATOM 0 HE ARG A 123 -16.843 -6.739 -5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.789 -4.193 -7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -17.221 -3.195 -7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -18.689 -5.444 -4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -18.861 -3.901 -5.706 1.00 0.00 H new ATOM 1981 N THR A 124 -10.649 -9.343 -7.239 1.00 0.00 N ATOM 1982 CA THR A 124 -9.326 -9.494 -7.802 1.00 0.00 C ATOM 1983 C THR A 124 -8.754 -8.075 -8.096 1.00 0.00 C ATOM 1984 O THR A 124 -9.483 -7.110 -7.948 1.00 0.00 O ATOM 1985 CB THR A 124 -9.436 -10.402 -9.050 1.00 0.00 C ATOM 1986 OG1 THR A 124 -10.117 -11.596 -8.650 1.00 0.00 O ATOM 1987 CG2 THR A 124 -8.087 -10.794 -9.608 1.00 0.00 C ATOM 0 H THR A 124 -11.408 -9.489 -7.904 1.00 0.00 H new ATOM 0 HA THR A 124 -8.628 -9.977 -7.119 1.00 0.00 H new ATOM 0 HB THR A 124 -9.966 -9.852 -9.828 1.00 0.00 H new ATOM 0 HG1 THR A 124 -11.085 -11.451 -8.696 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.226 -11.430 -10.482 1.00 0.00 H new ATOM 0 HG22 THR A 124 -7.538 -9.897 -9.896 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.523 -11.337 -8.849 1.00 0.00 H new ATOM 1995 N LYS A 125 -7.488 -7.952 -8.528 1.00 0.00 N ATOM 1996 CA LYS A 125 -6.809 -6.650 -8.637 1.00 0.00 C ATOM 1997 C LYS A 125 -7.596 -5.615 -9.434 1.00 0.00 C ATOM 1998 O LYS A 125 -7.841 -4.514 -8.948 1.00 0.00 O ATOM 1999 CB LYS A 125 -5.381 -6.782 -9.208 1.00 0.00 C ATOM 2000 CG LYS A 125 -5.304 -7.519 -10.544 1.00 0.00 C ATOM 2001 CD LYS A 125 -4.080 -7.129 -11.365 1.00 0.00 C ATOM 2002 CE LYS A 125 -4.165 -5.665 -11.801 1.00 0.00 C ATOM 2003 NZ LYS A 125 -3.093 -5.285 -12.739 1.00 0.00 N ATOM 0 H LYS A 125 -6.911 -8.745 -8.809 1.00 0.00 H new ATOM 0 HA LYS A 125 -6.744 -6.285 -7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -4.958 -5.785 -9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -4.759 -7.305 -8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -5.285 -8.593 -10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -6.205 -7.310 -11.121 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.176 -7.286 -10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.005 -7.771 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -5.132 -5.486 -12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.115 -5.025 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.960 -4.254 -12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.207 -5.755 -12.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.355 -5.578 -13.702 1.00 0.00 H new ATOM 2017 N ALA A 126 -8.070 -6.003 -10.603 1.00 0.00 N ATOM 2018 CA ALA A 126 -8.733 -5.085 -11.492 1.00 0.00 C ATOM 2019 C ALA A 126 -10.124 -4.809 -10.995 1.00 0.00 C ATOM 2020 O ALA A 126 -10.685 -3.756 -11.225 1.00 0.00 O ATOM 2021 CB ALA A 126 -8.766 -5.669 -12.881 1.00 0.00 C ATOM 0 H ALA A 126 -8.004 -6.958 -10.956 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.187 -4.142 -11.522 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -9.268 -4.975 -13.556 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.747 -5.840 -13.228 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.307 -6.615 -12.865 1.00 0.00 H new ATOM 2027 N GLU A 127 -10.638 -5.749 -10.251 1.00 0.00 N ATOM 2028 CA GLU A 127 -11.977 -5.675 -9.722 1.00 0.00 C ATOM 2029 C GLU A 127 -11.973 -4.806 -8.455 1.00 0.00 C ATOM 2030 O GLU A 127 -12.969 -4.170 -8.089 1.00 0.00 O ATOM 2031 CB GLU A 127 -12.434 -7.070 -9.402 1.00 0.00 C ATOM 2032 CG GLU A 127 -12.073 -8.073 -10.472 1.00 0.00 C ATOM 2033 CD GLU A 127 -12.711 -9.402 -10.251 1.00 0.00 C ATOM 2034 OE1 GLU A 127 -12.587 -9.949 -9.144 1.00 0.00 O ATOM 2035 OE2 GLU A 127 -13.326 -9.929 -11.203 1.00 0.00 O ATOM 0 H GLU A 127 -10.136 -6.598 -9.991 1.00 0.00 H new ATOM 0 HA GLU A 127 -12.656 -5.227 -10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.992 -7.382 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -13.515 -7.069 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -12.376 -7.686 -11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -10.990 -8.194 -10.501 1.00 0.00 H new ATOM 2042 N PHE A 128 -10.838 -4.793 -7.806 1.00 0.00 N ATOM 2043 CA PHE A 128 -10.589 -3.996 -6.638 1.00 0.00 C ATOM 2044 C PHE A 128 -10.429 -2.546 -7.053 1.00 0.00 C ATOM 2045 O PHE A 128 -11.063 -1.658 -6.504 1.00 0.00 O ATOM 2046 CB PHE A 128 -9.322 -4.517 -5.942 1.00 0.00 C ATOM 2047 CG PHE A 128 -8.821 -3.651 -4.828 1.00 0.00 C ATOM 2048 CD1 PHE A 128 -7.989 -2.574 -5.105 1.00 0.00 C ATOM 2049 CD2 PHE A 128 -9.172 -3.907 -3.520 1.00 0.00 C ATOM 2050 CE1 PHE A 128 -7.526 -1.768 -4.092 1.00 0.00 C ATOM 2051 CE2 PHE A 128 -8.710 -3.103 -2.498 1.00 0.00 C ATOM 2052 CZ PHE A 128 -7.888 -2.032 -2.783 1.00 0.00 C ATOM 0 H PHE A 128 -10.036 -5.357 -8.087 1.00 0.00 H new ATOM 0 HA PHE A 128 -11.423 -4.064 -5.939 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -9.524 -5.513 -5.548 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.532 -4.623 -6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.703 -2.368 -6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -9.815 -4.745 -3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -6.882 -0.931 -4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.991 -3.312 -1.476 1.00 0.00 H new ATOM 0 HZ PHE A 128 -7.527 -1.400 -1.985 1.00 0.00 H new ATOM 2062 N GLU A 129 -9.589 -2.304 -8.026 1.00 0.00 N ATOM 2063 CA GLU A 129 -9.418 -0.964 -8.525 1.00 0.00 C ATOM 2064 C GLU A 129 -10.697 -0.475 -9.217 1.00 0.00 C ATOM 2065 O GLU A 129 -10.916 0.695 -9.354 1.00 0.00 O ATOM 2066 CB GLU A 129 -8.156 -0.809 -9.382 1.00 0.00 C ATOM 2067 CG GLU A 129 -8.019 -1.835 -10.468 1.00 0.00 C ATOM 2068 CD GLU A 129 -6.849 -1.594 -11.392 1.00 0.00 C ATOM 2069 OE1 GLU A 129 -6.891 -0.631 -12.183 1.00 0.00 O ATOM 2070 OE2 GLU A 129 -5.867 -2.359 -11.352 1.00 0.00 O ATOM 0 H GLU A 129 -9.016 -3.012 -8.486 1.00 0.00 H new ATOM 0 HA GLU A 129 -9.252 -0.307 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.157 0.183 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.281 -0.864 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.913 -2.820 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -8.937 -1.852 -11.056 1.00 0.00 H new ATOM 2077 N ASP A 130 -11.536 -1.418 -9.626 1.00 0.00 N ATOM 2078 CA ASP A 130 -12.856 -1.137 -10.234 1.00 0.00 C ATOM 2079 C ASP A 130 -13.786 -0.515 -9.200 1.00 0.00 C ATOM 2080 O ASP A 130 -14.477 0.459 -9.463 1.00 0.00 O ATOM 2081 CB ASP A 130 -13.468 -2.441 -10.721 1.00 0.00 C ATOM 2082 CG ASP A 130 -14.799 -2.288 -11.407 1.00 0.00 C ATOM 2083 OD1 ASP A 130 -15.851 -2.319 -10.719 1.00 0.00 O ATOM 2084 OD2 ASP A 130 -14.832 -2.195 -12.645 1.00 0.00 O ATOM 0 H ASP A 130 -11.329 -2.414 -9.550 1.00 0.00 H new ATOM 0 HA ASP A 130 -12.725 -0.445 -11.066 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -12.772 -2.920 -11.409 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -13.587 -3.112 -9.870 1.00 0.00 H new ATOM 2089 N VAL A 131 -13.803 -1.089 -8.020 1.00 0.00 N ATOM 2090 CA VAL A 131 -14.603 -0.533 -6.945 1.00 0.00 C ATOM 2091 C VAL A 131 -13.943 0.744 -6.406 1.00 0.00 C ATOM 2092 O VAL A 131 -14.611 1.743 -6.147 1.00 0.00 O ATOM 2093 CB VAL A 131 -14.920 -1.587 -5.812 1.00 0.00 C ATOM 2094 CG1 VAL A 131 -13.683 -2.252 -5.279 1.00 0.00 C ATOM 2095 CG2 VAL A 131 -15.701 -0.968 -4.674 1.00 0.00 C ATOM 0 H VAL A 131 -13.280 -1.931 -7.778 1.00 0.00 H new ATOM 0 HA VAL A 131 -15.576 -0.260 -7.353 1.00 0.00 H new ATOM 0 HB VAL A 131 -15.534 -2.354 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -13.959 -2.966 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -13.173 -2.774 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -13.018 -1.498 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -15.899 -1.725 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -15.122 -0.156 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -16.646 -0.576 -5.052 1.00 0.00 H new ATOM 2105 N ILE A 132 -12.630 0.723 -6.323 1.00 0.00 N ATOM 2106 CA ILE A 132 -11.854 1.860 -5.853 1.00 0.00 C ATOM 2107 C ILE A 132 -11.982 3.089 -6.772 1.00 0.00 C ATOM 2108 O ILE A 132 -12.078 4.222 -6.284 1.00 0.00 O ATOM 2109 CB ILE A 132 -10.361 1.456 -5.572 1.00 0.00 C ATOM 2110 CG1 ILE A 132 -10.143 1.138 -4.081 1.00 0.00 C ATOM 2111 CG2 ILE A 132 -9.348 2.474 -6.075 1.00 0.00 C ATOM 2112 CD1 ILE A 132 -11.020 0.028 -3.540 1.00 0.00 C ATOM 0 H ILE A 132 -12.064 -0.086 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 132 -12.282 2.169 -4.900 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.182 0.550 -6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -9.099 0.865 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -10.323 2.042 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -8.340 2.128 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -9.455 2.592 -7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -9.522 3.433 -5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.799 -0.128 -2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -12.068 0.304 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -10.825 -0.892 -4.091 1.00 0.00 H new ATOM 2124 N GLU A 133 -12.030 2.874 -8.081 1.00 0.00 N ATOM 2125 CA GLU A 133 -12.182 3.983 -9.013 1.00 0.00 C ATOM 2126 C GLU A 133 -13.562 4.614 -8.855 1.00 0.00 C ATOM 2127 O GLU A 133 -13.738 5.826 -9.023 1.00 0.00 O ATOM 2128 CB GLU A 133 -11.958 3.574 -10.479 1.00 0.00 C ATOM 2129 CG GLU A 133 -12.973 2.600 -11.023 1.00 0.00 C ATOM 2130 CD GLU A 133 -12.963 2.534 -12.516 1.00 0.00 C ATOM 2131 OE1 GLU A 133 -12.183 1.755 -13.089 1.00 0.00 O ATOM 2132 OE2 GLU A 133 -13.744 3.291 -13.154 1.00 0.00 O ATOM 0 H GLU A 133 -11.967 1.954 -8.517 1.00 0.00 H new ATOM 0 HA GLU A 133 -11.408 4.709 -8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -11.967 4.471 -11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.965 3.133 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -12.773 1.608 -10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.967 2.889 -10.682 1.00 0.00 H new ATOM 2139 N HIS A 134 -14.527 3.793 -8.486 1.00 0.00 N ATOM 2140 CA HIS A 134 -15.869 4.258 -8.312 1.00 0.00 C ATOM 2141 C HIS A 134 -15.945 5.043 -6.999 1.00 0.00 C ATOM 2142 O HIS A 134 -16.625 6.030 -6.904 1.00 0.00 O ATOM 2143 CB HIS A 134 -16.842 3.077 -8.319 1.00 0.00 C ATOM 2144 CG HIS A 134 -18.218 3.429 -8.796 1.00 0.00 C ATOM 2145 ND1 HIS A 134 -18.712 3.047 -10.023 1.00 0.00 N ATOM 2146 CD2 HIS A 134 -19.218 4.109 -8.189 1.00 0.00 C ATOM 2147 CE1 HIS A 134 -19.963 3.489 -10.125 1.00 0.00 C ATOM 2148 NE2 HIS A 134 -20.326 4.144 -9.032 1.00 0.00 N ATOM 0 H HIS A 134 -14.395 2.798 -8.303 1.00 0.00 H new ATOM 0 HA HIS A 134 -16.153 4.915 -9.134 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -16.438 2.289 -8.955 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -16.911 2.669 -7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -19.165 4.554 -7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -20.598 3.334 -10.985 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -21.228 4.582 -8.847 1.00 0.00 H new ATOM 2156 N MET A 135 -15.194 4.600 -6.007 1.00 0.00 N ATOM 2157 CA MET A 135 -15.100 5.297 -4.717 1.00 0.00 C ATOM 2158 C MET A 135 -14.464 6.682 -4.903 1.00 0.00 C ATOM 2159 O MET A 135 -14.968 7.699 -4.396 1.00 0.00 O ATOM 2160 CB MET A 135 -14.236 4.505 -3.721 1.00 0.00 C ATOM 2161 CG MET A 135 -14.693 3.085 -3.364 1.00 0.00 C ATOM 2162 SD MET A 135 -16.269 2.976 -2.482 1.00 0.00 S ATOM 2163 CE MET A 135 -17.487 3.058 -3.800 1.00 0.00 C ATOM 0 H MET A 135 -14.631 3.752 -6.062 1.00 0.00 H new ATOM 0 HA MET A 135 -16.113 5.394 -4.326 1.00 0.00 H new ATOM 0 HB2 MET A 135 -13.226 4.442 -4.127 1.00 0.00 H new ATOM 0 HB3 MET A 135 -14.173 5.081 -2.798 1.00 0.00 H new ATOM 0 HG2 MET A 135 -14.770 2.504 -4.283 1.00 0.00 H new ATOM 0 HG3 MET A 135 -13.921 2.616 -2.754 1.00 0.00 H new ATOM 0 HE1 MET A 135 -18.062 3.979 -3.707 1.00 0.00 H new ATOM 0 HE2 MET A 135 -16.980 3.042 -4.765 1.00 0.00 H new ATOM 0 HE3 MET A 135 -18.159 2.203 -3.728 1.00 0.00 H new ATOM 2173 N LYS A 136 -13.371 6.726 -5.656 1.00 0.00 N ATOM 2174 CA LYS A 136 -12.634 7.968 -5.856 1.00 0.00 C ATOM 2175 C LYS A 136 -13.400 8.967 -6.722 1.00 0.00 C ATOM 2176 O LYS A 136 -13.080 10.139 -6.722 1.00 0.00 O ATOM 2177 CB LYS A 136 -11.226 7.742 -6.408 1.00 0.00 C ATOM 2178 CG LYS A 136 -11.191 7.245 -7.824 1.00 0.00 C ATOM 2179 CD LYS A 136 -9.778 6.979 -8.310 1.00 0.00 C ATOM 2180 CE LYS A 136 -9.074 5.932 -7.459 1.00 0.00 C ATOM 2181 NZ LYS A 136 -7.773 5.535 -8.032 1.00 0.00 N ATOM 0 H LYS A 136 -12.976 5.918 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 136 -12.526 8.403 -4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -10.671 8.678 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -10.709 7.025 -5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -11.776 6.329 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -11.664 7.980 -8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -9.808 6.644 -9.347 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -9.206 7.907 -8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -8.922 6.325 -6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -9.712 5.053 -7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -7.328 4.821 -7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -7.919 5.136 -8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -7.154 6.368 -8.098 1.00 0.00 H new ATOM 2195 N THR A 137 -14.399 8.488 -7.479 1.00 0.00 N ATOM 2196 CA THR A 137 -15.212 9.377 -8.307 1.00 0.00 C ATOM 2197 C THR A 137 -15.987 10.354 -7.385 1.00 0.00 C ATOM 2198 O THR A 137 -16.322 11.484 -7.773 1.00 0.00 O ATOM 2199 CB THR A 137 -16.189 8.575 -9.264 1.00 0.00 C ATOM 2200 OG1 THR A 137 -16.421 9.316 -10.468 1.00 0.00 O ATOM 2201 CG2 THR A 137 -17.553 8.311 -8.624 1.00 0.00 C ATOM 0 H THR A 137 -14.657 7.503 -7.532 1.00 0.00 H new ATOM 0 HA THR A 137 -14.553 9.947 -8.963 1.00 0.00 H new ATOM 0 HB THR A 137 -15.699 7.623 -9.467 1.00 0.00 H new ATOM 0 HG1 THR A 137 -17.024 8.811 -11.052 1.00 0.00 H new ATOM 0 HG21 THR A 137 -18.182 7.759 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 137 -17.421 7.726 -7.714 1.00 0.00 H new ATOM 0 HG23 THR A 137 -18.030 9.260 -8.379 1.00 0.00 H new ATOM 2209 N TYR A 138 -16.229 9.914 -6.148 1.00 0.00 N ATOM 2210 CA TYR A 138 -16.861 10.726 -5.161 1.00 0.00 C ATOM 2211 C TYR A 138 -15.803 11.606 -4.536 1.00 0.00 C ATOM 2212 O TYR A 138 -15.883 12.825 -4.575 1.00 0.00 O ATOM 2213 CB TYR A 138 -17.502 9.838 -4.100 1.00 0.00 C ATOM 2214 CG TYR A 138 -18.584 8.932 -4.631 1.00 0.00 C ATOM 2215 CD1 TYR A 138 -19.816 9.443 -4.947 1.00 0.00 C ATOM 2216 CD2 TYR A 138 -18.376 7.573 -4.803 1.00 0.00 C ATOM 2217 CE1 TYR A 138 -20.828 8.644 -5.421 1.00 0.00 C ATOM 2218 CE2 TYR A 138 -19.386 6.755 -5.276 1.00 0.00 C ATOM 2219 CZ TYR A 138 -20.612 7.302 -5.583 1.00 0.00 C ATOM 2220 OH TYR A 138 -21.632 6.501 -6.047 1.00 0.00 O ATOM 0 H TYR A 138 -15.983 8.979 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 138 -17.641 11.340 -5.611 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -16.727 9.228 -3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -17.923 10.470 -3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -19.996 10.500 -4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -17.413 7.147 -4.565 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -21.789 9.072 -5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -19.215 5.696 -5.403 1.00 0.00 H new ATOM 0 HH TYR A 138 -21.509 5.588 -5.713 1.00 0.00 H new ATOM 2230 N SER A 139 -14.788 10.955 -3.987 1.00 0.00 N ATOM 2231 CA SER A 139 -13.614 11.574 -3.367 1.00 0.00 C ATOM 2232 C SER A 139 -13.913 12.577 -2.235 1.00 0.00 C ATOM 2233 O SER A 139 -13.021 13.331 -1.815 1.00 0.00 O ATOM 2234 CB SER A 139 -12.659 12.158 -4.425 1.00 0.00 C ATOM 2235 OG SER A 139 -13.293 13.123 -5.277 1.00 0.00 O ATOM 0 H SER A 139 -14.754 9.936 -3.958 1.00 0.00 H new ATOM 0 HA SER A 139 -13.107 10.754 -2.859 1.00 0.00 H new ATOM 0 HB2 SER A 139 -11.811 12.625 -3.924 1.00 0.00 H new ATOM 0 HB3 SER A 139 -12.262 11.347 -5.036 1.00 0.00 H new ATOM 0 HG SER A 139 -14.162 13.373 -4.899 1.00 0.00 H new ATOM 2241 N GLY A 140 -15.117 12.565 -1.738 1.00 0.00 N ATOM 2242 CA GLY A 140 -15.478 13.420 -0.686 1.00 0.00 C ATOM 2243 C GLY A 140 -16.925 13.497 -0.725 1.00 0.00 C ATOM 2244 O GLY A 140 -17.513 14.474 -0.255 1.00 0.00 O ATOM 2245 OXT GLY A 140 -17.505 12.580 -1.349 1.00 0.00 O ATOM 0 H GLY A 140 -15.865 11.954 -2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -15.132 13.031 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -15.030 14.406 -0.811 1.00 0.00 H new TER 2249 GLY A 140