USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1004 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 25 LYS NZ :NH3+ -177:sc= 1.66 (180deg=-0.13) USER MOD Set 1.2: A 90 THR OG1 : rot -41:sc= 0.54 USER MOD Set 1.3: A 115 ASN : amide:sc= 0.225 K(o=3.6,f=-1.4!) USER MOD Set 1.4: A 117 SER OG : rot 145:sc= 1.13 USER MOD Set 2.1: A 92 GLN : amide:sc= 0.934 K(o=2.1,f=-0.82) USER MOD Set 2.2: A 94 THR OG1 : rot 71:sc= 1.13 USER MOD Set 3.1: A 85 TYR OH : rot -145:sc= 1.2 USER MOD Set 3.2: A 93 GLN : amide:sc= 1.58 K(o=2.8,f=-0.93) USER MOD Set 4.1: A 35 GLN : amide:sc= 0.294 K(o=0.58,f=1.6) USER MOD Set 4.2: A 37 HIS : no HD1:sc= 0.0599 K(o=0.58,f=-0.32) USER MOD Set 4.3: A 80 THR OG1 : rot -160:sc= 0.225 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00277) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.7) USER MOD Single : A 9 GLN : amide:sc= 0.605 K(o=0.6,f=-7!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= -0.051 (180deg=-0.284) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 51:sc= -1.86! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00546 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -7:sc= 1.24 USER MOD Single : A 51 TYR OH : rot 23:sc= -3.35! USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -143:sc= -0.22 (180deg=-2.31!) USER MOD Single : A 63 SER OG : rot 59:sc= 1.57 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.22) USER MOD Single : A 74 TYR OH : rot -124:sc= 0.705 USER MOD Single : A 84 TYR OH : rot 38:sc= 1.27 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -43:sc= -0.737 USER MOD Single : A 89 SER OG : rot 180:sc= 0.25 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -1.49! K(o=-1.5!,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.1) USER MOD Single : A 107 GLN : amide:sc= 0.612 K(o=0.61,f=-5.6!) USER MOD Single : A 108 GLN : amide:sc= 0.938 K(o=0.94,f=-0.042) USER MOD Single : A 110 THR OG1 : rot -104:sc= 1.28 USER MOD Single : A 112 SER OG : rot 180:sc= -0.104 USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 118 SER OG : rot 14:sc= 0.643 USER MOD Single : A 119 LYS NZ :NH3+ 172:sc=-0.00358 (180deg=-0.105) USER MOD Single : A 125 HIS : no HE2:sc= 0.666 K(o=0.67,f=-2.7!) USER MOD Single : A 126 HIS : no HD1:sc= 1.22 K(o=1.2,f=-5.3!) USER MOD Single : A 127 HIS : no HD1:sc= -0.315 X(o=-0.31,f=-0.31) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 130 HIS : no HD1:sc=-0.00706 X(o=-0.0071,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.781 -21.509 2.200 1.00 0.00 N ATOM 2 CA MET A 1 13.599 -20.903 3.274 1.00 0.00 C ATOM 3 C MET A 1 13.379 -19.399 3.333 1.00 0.00 C ATOM 4 O MET A 1 13.910 -18.648 2.517 1.00 0.00 O ATOM 5 CB MET A 1 15.088 -21.195 3.062 1.00 0.00 C ATOM 6 CG MET A 1 15.464 -22.650 3.263 1.00 0.00 C ATOM 7 SD MET A 1 17.237 -22.929 3.105 1.00 0.00 S ATOM 8 CE MET A 1 17.334 -24.680 3.454 1.00 0.00 C ATOM 0 H1 MET A 1 12.932 -22.538 2.187 1.00 0.00 H new ATOM 0 H2 MET A 1 11.775 -21.309 2.375 1.00 0.00 H new ATOM 0 H3 MET A 1 13.060 -21.107 1.282 1.00 0.00 H new ATOM 0 HA MET A 1 13.285 -21.348 4.218 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.367 -20.894 2.052 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.670 -20.581 3.750 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.134 -22.975 4.250 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.936 -23.263 2.533 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.372 -25.006 3.395 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.949 -24.873 4.455 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.739 -25.230 2.725 1.00 0.00 H new ATOM 20 N ASN A 2 12.574 -18.971 4.287 1.00 0.00 N ATOM 21 CA ASN A 2 12.323 -17.556 4.509 1.00 0.00 C ATOM 22 C ASN A 2 12.481 -17.248 5.989 1.00 0.00 C ATOM 23 O ASN A 2 13.488 -16.687 6.421 1.00 0.00 O ATOM 24 CB ASN A 2 10.911 -17.161 4.049 1.00 0.00 C ATOM 25 CG ASN A 2 10.646 -17.467 2.585 1.00 0.00 C ATOM 26 OD1 ASN A 2 10.171 -18.548 2.242 1.00 0.00 O ATOM 27 ND2 ASN A 2 10.952 -16.520 1.713 1.00 0.00 N ATOM 0 H ASN A 2 12.077 -19.589 4.928 1.00 0.00 H new ATOM 0 HA ASN A 2 13.042 -16.981 3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 2 10.177 -17.686 4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.766 -16.095 4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 2 10.795 -16.674 0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.344 -15.636 2.037 1.00 0.00 H new ATOM 34 N ASP A 3 11.489 -17.657 6.763 1.00 0.00 N ATOM 35 CA ASP A 3 11.491 -17.462 8.206 1.00 0.00 C ATOM 36 C ASP A 3 11.041 -18.753 8.876 1.00 0.00 C ATOM 37 O ASP A 3 11.353 -19.845 8.393 1.00 0.00 O ATOM 38 CB ASP A 3 10.555 -16.309 8.592 1.00 0.00 C ATOM 39 CG ASP A 3 11.044 -14.959 8.100 1.00 0.00 C ATOM 40 OD1 ASP A 3 10.707 -14.578 6.961 1.00 0.00 O ATOM 41 OD2 ASP A 3 11.768 -14.269 8.852 1.00 0.00 O ATOM 0 H ASP A 3 10.659 -18.134 6.410 1.00 0.00 H new ATOM 0 HA ASP A 3 12.497 -17.206 8.538 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.563 -16.501 8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.452 -16.279 9.677 1.00 0.00 H new ATOM 46 N ASP A 4 10.313 -18.638 9.979 1.00 0.00 N ATOM 47 CA ASP A 4 9.746 -19.810 10.640 1.00 0.00 C ATOM 48 C ASP A 4 8.615 -20.399 9.807 1.00 0.00 C ATOM 49 O ASP A 4 8.251 -19.858 8.761 1.00 0.00 O ATOM 50 CB ASP A 4 9.224 -19.458 12.036 1.00 0.00 C ATOM 51 CG ASP A 4 10.324 -19.390 13.075 1.00 0.00 C ATOM 52 OD1 ASP A 4 10.963 -18.324 13.210 1.00 0.00 O ATOM 53 OD2 ASP A 4 10.554 -20.401 13.768 1.00 0.00 O ATOM 0 H ASP A 4 10.101 -17.750 10.434 1.00 0.00 H new ATOM 0 HA ASP A 4 10.541 -20.549 10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.710 -18.498 11.995 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.488 -20.201 12.341 1.00 0.00 H new ATOM 58 N VAL A 5 8.054 -21.504 10.271 1.00 0.00 N ATOM 59 CA VAL A 5 6.961 -22.153 9.566 1.00 0.00 C ATOM 60 C VAL A 5 5.623 -21.696 10.150 1.00 0.00 C ATOM 61 O VAL A 5 4.551 -22.167 9.761 1.00 0.00 O ATOM 62 CB VAL A 5 7.089 -23.694 9.640 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.801 -24.202 11.046 1.00 0.00 C ATOM 64 CG2 VAL A 5 6.195 -24.372 8.613 1.00 0.00 C ATOM 0 H VAL A 5 8.338 -21.970 11.133 1.00 0.00 H new ATOM 0 HA VAL A 5 7.007 -21.866 8.516 1.00 0.00 H new ATOM 0 HB VAL A 5 8.120 -23.953 9.399 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.898 -25.287 11.068 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.511 -23.760 11.745 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.787 -23.923 11.333 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.307 -25.453 8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.156 -24.101 8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.480 -24.048 7.612 1.00 0.00 H new ATOM 74 N ASP A 6 5.704 -20.752 11.078 1.00 0.00 N ATOM 75 CA ASP A 6 4.529 -20.223 11.752 1.00 0.00 C ATOM 76 C ASP A 6 3.723 -19.316 10.835 1.00 0.00 C ATOM 77 O ASP A 6 3.887 -18.098 10.839 1.00 0.00 O ATOM 78 CB ASP A 6 4.928 -19.466 13.021 1.00 0.00 C ATOM 79 CG ASP A 6 5.423 -20.389 14.112 1.00 0.00 C ATOM 80 OD1 ASP A 6 6.581 -20.858 14.029 1.00 0.00 O ATOM 81 OD2 ASP A 6 4.653 -20.661 15.055 1.00 0.00 O ATOM 0 H ASP A 6 6.583 -20.334 11.383 1.00 0.00 H new ATOM 0 HA ASP A 6 3.901 -21.070 12.028 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.707 -18.743 12.780 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.071 -18.901 13.388 1.00 0.00 H new ATOM 86 N ILE A 7 2.882 -19.933 10.023 1.00 0.00 N ATOM 87 CA ILE A 7 1.969 -19.211 9.150 1.00 0.00 C ATOM 88 C ILE A 7 0.721 -20.070 8.912 1.00 0.00 C ATOM 89 O ILE A 7 -0.094 -19.806 8.028 1.00 0.00 O ATOM 90 CB ILE A 7 2.658 -18.856 7.806 1.00 0.00 C ATOM 91 CG1 ILE A 7 1.803 -17.872 6.999 1.00 0.00 C ATOM 92 CG2 ILE A 7 2.943 -20.116 6.997 1.00 0.00 C ATOM 93 CD1 ILE A 7 2.442 -17.425 5.700 1.00 0.00 C ATOM 0 H ILE A 7 2.812 -20.948 9.949 1.00 0.00 H new ATOM 0 HA ILE A 7 1.677 -18.275 9.627 1.00 0.00 H new ATOM 0 HB ILE A 7 3.609 -18.373 8.029 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.842 -18.337 6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.599 -16.995 7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.426 -19.844 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.600 -20.773 7.567 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.007 -20.633 6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.776 -16.731 5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.389 -16.930 5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.620 -18.293 5.065 1.00 0.00 H new ATOM 105 N GLN A 8 0.565 -21.092 9.746 1.00 0.00 N ATOM 106 CA GLN A 8 -0.499 -22.070 9.565 1.00 0.00 C ATOM 107 C GLN A 8 -1.614 -21.864 10.591 1.00 0.00 C ATOM 108 O GLN A 8 -2.697 -22.443 10.478 1.00 0.00 O ATOM 109 CB GLN A 8 0.076 -23.488 9.669 1.00 0.00 C ATOM 110 CG GLN A 8 -0.929 -24.591 9.360 1.00 0.00 C ATOM 111 CD GLN A 8 -1.535 -24.466 7.975 1.00 0.00 C ATOM 112 OE1 GLN A 8 -0.897 -23.972 7.044 1.00 0.00 O ATOM 113 NE2 GLN A 8 -2.771 -24.912 7.827 1.00 0.00 N ATOM 0 H GLN A 8 1.163 -21.264 10.554 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.931 -21.934 8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.919 -23.578 8.984 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.465 -23.638 10.676 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.437 -25.559 9.450 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.726 -24.568 10.103 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.267 -25.315 8.622 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.229 -24.853 6.917 1.00 0.00 H new ATOM 122 N GLN A 9 -1.350 -21.041 11.595 1.00 0.00 N ATOM 123 CA GLN A 9 -2.346 -20.747 12.617 1.00 0.00 C ATOM 124 C GLN A 9 -3.273 -19.628 12.159 1.00 0.00 C ATOM 125 O GLN A 9 -3.077 -19.044 11.090 1.00 0.00 O ATOM 126 CB GLN A 9 -1.696 -20.395 13.967 1.00 0.00 C ATOM 127 CG GLN A 9 -0.569 -19.373 13.895 1.00 0.00 C ATOM 128 CD GLN A 9 0.773 -20.002 13.563 1.00 0.00 C ATOM 129 OE1 GLN A 9 1.131 -20.136 12.397 1.00 0.00 O ATOM 130 NE2 GLN A 9 1.516 -20.402 14.584 1.00 0.00 N ATOM 0 H GLN A 9 -0.457 -20.565 11.725 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.937 -21.651 12.765 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.468 -20.015 14.636 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.308 -21.310 14.415 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.811 -18.624 13.141 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.495 -18.852 14.850 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.182 -20.272 15.539 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.422 -20.840 14.415 1.00 0.00 H new ATOM 139 N SER A 10 -4.284 -19.342 12.967 1.00 0.00 N ATOM 140 CA SER A 10 -5.282 -18.339 12.630 1.00 0.00 C ATOM 141 C SER A 10 -4.656 -16.947 12.555 1.00 0.00 C ATOM 142 O SER A 10 -3.829 -16.577 13.393 1.00 0.00 O ATOM 143 CB SER A 10 -6.407 -18.363 13.671 1.00 0.00 C ATOM 144 OG SER A 10 -7.492 -17.532 13.289 1.00 0.00 O ATOM 0 H SER A 10 -4.435 -19.795 13.868 1.00 0.00 H new ATOM 0 HA SER A 10 -5.694 -18.573 11.649 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.760 -19.386 13.802 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.018 -18.034 14.635 1.00 0.00 H new ATOM 0 HG SER A 10 -8.192 -17.572 13.974 1.00 0.00 H new ATOM 150 N TYR A 11 -5.055 -16.184 11.543 1.00 0.00 N ATOM 151 CA TYR A 11 -4.592 -14.812 11.390 1.00 0.00 C ATOM 152 C TYR A 11 -5.308 -13.914 12.388 1.00 0.00 C ATOM 153 O TYR A 11 -6.501 -14.094 12.639 1.00 0.00 O ATOM 154 CB TYR A 11 -4.860 -14.299 9.969 1.00 0.00 C ATOM 155 CG TYR A 11 -4.084 -15.007 8.881 1.00 0.00 C ATOM 156 CD1 TYR A 11 -2.834 -14.549 8.485 1.00 0.00 C ATOM 157 CD2 TYR A 11 -4.610 -16.120 8.236 1.00 0.00 C ATOM 158 CE1 TYR A 11 -2.129 -15.178 7.477 1.00 0.00 C ATOM 159 CE2 TYR A 11 -3.910 -16.758 7.230 1.00 0.00 C ATOM 160 CZ TYR A 11 -2.672 -16.282 6.853 1.00 0.00 C ATOM 161 OH TYR A 11 -1.977 -16.910 5.840 1.00 0.00 O ATOM 0 H TYR A 11 -5.699 -16.494 10.816 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.518 -14.792 11.574 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.925 -14.396 9.758 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.623 -13.236 9.931 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.406 -13.686 8.973 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.582 -16.492 8.526 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.159 -14.808 7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.330 -17.625 6.742 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.498 -17.671 5.508 1.00 0.00 H new ATOM 171 N PRO A 12 -4.595 -12.951 12.990 1.00 0.00 N ATOM 172 CA PRO A 12 -5.203 -11.981 13.904 1.00 0.00 C ATOM 173 C PRO A 12 -6.237 -11.122 13.201 1.00 0.00 C ATOM 174 O PRO A 12 -7.367 -10.966 13.665 1.00 0.00 O ATOM 175 CB PRO A 12 -4.023 -11.124 14.377 1.00 0.00 C ATOM 176 CG PRO A 12 -2.807 -11.923 14.061 1.00 0.00 C ATOM 177 CD PRO A 12 -3.147 -12.743 12.851 1.00 0.00 C ATOM 0 HA PRO A 12 -5.732 -12.468 14.723 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.006 -10.162 13.865 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.091 -10.916 15.445 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.955 -11.273 13.864 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.533 -12.562 14.900 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.901 -12.220 11.927 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.603 -13.687 12.837 1.00 0.00 H new ATOM 185 N PHE A 13 -5.831 -10.582 12.072 1.00 0.00 N ATOM 186 CA PHE A 13 -6.690 -9.742 11.254 1.00 0.00 C ATOM 187 C PHE A 13 -6.425 -10.031 9.784 1.00 0.00 C ATOM 188 O PHE A 13 -5.330 -10.462 9.422 1.00 0.00 O ATOM 189 CB PHE A 13 -6.440 -8.258 11.548 1.00 0.00 C ATOM 190 CG PHE A 13 -6.687 -7.873 12.981 1.00 0.00 C ATOM 191 CD1 PHE A 13 -7.974 -7.639 13.438 1.00 0.00 C ATOM 192 CD2 PHE A 13 -5.633 -7.754 13.870 1.00 0.00 C ATOM 193 CE1 PHE A 13 -8.203 -7.295 14.757 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.855 -7.407 15.189 1.00 0.00 C ATOM 195 CZ PHE A 13 -7.143 -7.179 15.633 1.00 0.00 C ATOM 0 H PHE A 13 -4.894 -10.711 11.691 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.730 -9.966 11.491 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.410 -8.014 11.288 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.082 -7.657 10.904 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.807 -7.726 12.756 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.624 -7.935 13.529 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.211 -7.117 15.102 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.023 -7.314 15.871 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.320 -6.910 16.664 1.00 0.00 H new ATOM 205 N SER A 14 -7.424 -9.801 8.946 1.00 0.00 N ATOM 206 CA SER A 14 -7.294 -10.050 7.516 1.00 0.00 C ATOM 207 C SER A 14 -7.435 -8.742 6.744 1.00 0.00 C ATOM 208 O SER A 14 -8.322 -7.938 7.032 1.00 0.00 O ATOM 209 CB SER A 14 -8.359 -11.056 7.067 1.00 0.00 C ATOM 210 OG SER A 14 -8.216 -11.398 5.697 1.00 0.00 O ATOM 0 H SER A 14 -8.335 -9.442 9.231 1.00 0.00 H new ATOM 0 HA SER A 14 -6.308 -10.468 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.288 -11.957 7.676 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.350 -10.635 7.235 1.00 0.00 H new ATOM 0 HG SER A 14 -8.911 -12.042 5.446 1.00 0.00 H new ATOM 216 N ILE A 15 -6.561 -8.522 5.772 1.00 0.00 N ATOM 217 CA ILE A 15 -6.579 -7.285 5.011 1.00 0.00 C ATOM 218 C ILE A 15 -7.004 -7.546 3.574 1.00 0.00 C ATOM 219 O ILE A 15 -6.431 -8.395 2.889 1.00 0.00 O ATOM 220 CB ILE A 15 -5.197 -6.595 5.026 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.769 -6.324 6.471 1.00 0.00 C ATOM 222 CG2 ILE A 15 -5.234 -5.300 4.225 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.401 -5.691 6.596 1.00 0.00 C ATOM 0 H ILE A 15 -5.834 -9.182 5.494 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.302 -6.621 5.485 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.467 -7.257 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.505 -5.672 6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.776 -7.263 7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.251 -4.830 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.508 -5.518 3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.970 -4.624 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.169 -5.530 7.649 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.653 -6.351 6.157 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.393 -4.735 6.073 1.00 0.00 H new ATOM 235 N GLU A 16 -8.020 -6.825 3.136 1.00 0.00 N ATOM 236 CA GLU A 16 -8.514 -6.944 1.777 1.00 0.00 C ATOM 237 C GLU A 16 -8.051 -5.751 0.950 1.00 0.00 C ATOM 238 O GLU A 16 -8.093 -4.613 1.418 1.00 0.00 O ATOM 239 CB GLU A 16 -10.043 -7.028 1.778 1.00 0.00 C ATOM 240 CG GLU A 16 -10.662 -7.106 0.391 1.00 0.00 C ATOM 241 CD GLU A 16 -12.171 -7.191 0.435 1.00 0.00 C ATOM 242 OE1 GLU A 16 -12.823 -6.153 0.658 1.00 0.00 O ATOM 243 OE2 GLU A 16 -12.717 -8.297 0.237 1.00 0.00 O ATOM 0 H GLU A 16 -8.522 -6.146 3.707 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.115 -7.856 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.348 -7.905 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.444 -6.156 2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.367 -6.229 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.267 -7.977 -0.131 1.00 0.00 H new ATOM 250 N THR A 17 -7.591 -6.015 -0.260 1.00 0.00 N ATOM 251 CA THR A 17 -7.144 -4.958 -1.151 1.00 0.00 C ATOM 252 C THR A 17 -7.876 -5.025 -2.487 1.00 0.00 C ATOM 253 O THR A 17 -8.116 -6.113 -3.022 1.00 0.00 O ATOM 254 CB THR A 17 -5.621 -5.032 -1.386 1.00 0.00 C ATOM 255 OG1 THR A 17 -5.225 -6.381 -1.685 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.863 -4.538 -0.164 1.00 0.00 C ATOM 0 H THR A 17 -7.517 -6.955 -0.649 1.00 0.00 H new ATOM 0 HA THR A 17 -7.375 -4.008 -0.670 1.00 0.00 H new ATOM 0 HB THR A 17 -5.379 -4.391 -2.234 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.257 -6.412 -1.833 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.791 -4.599 -0.352 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.137 -3.503 0.041 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.117 -5.157 0.696 1.00 0.00 H new ATOM 264 N MET A 18 -8.262 -3.870 -3.005 1.00 0.00 N ATOM 265 CA MET A 18 -8.915 -3.797 -4.306 1.00 0.00 C ATOM 266 C MET A 18 -7.891 -3.932 -5.427 1.00 0.00 C ATOM 267 O MET A 18 -6.831 -3.307 -5.385 1.00 0.00 O ATOM 268 CB MET A 18 -9.693 -2.484 -4.452 1.00 0.00 C ATOM 269 CG MET A 18 -11.012 -2.453 -3.687 1.00 0.00 C ATOM 270 SD MET A 18 -10.801 -2.570 -1.898 1.00 0.00 S ATOM 271 CE MET A 18 -12.507 -2.525 -1.352 1.00 0.00 C ATOM 0 H MET A 18 -8.135 -2.968 -2.545 1.00 0.00 H new ATOM 0 HA MET A 18 -9.621 -4.624 -4.377 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.066 -1.662 -4.107 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.894 -2.309 -5.509 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.540 -1.530 -3.924 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.641 -3.276 -4.027 1.00 0.00 H new ATOM 0 HE1 MET A 18 -12.543 -2.589 -0.264 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.968 -1.592 -1.676 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.049 -3.367 -1.783 1.00 0.00 H new ATOM 281 N PRO A 19 -8.196 -4.763 -6.437 1.00 0.00 N ATOM 282 CA PRO A 19 -7.294 -5.023 -7.567 1.00 0.00 C ATOM 283 C PRO A 19 -6.967 -3.768 -8.374 1.00 0.00 C ATOM 284 O PRO A 19 -7.694 -2.771 -8.332 1.00 0.00 O ATOM 285 CB PRO A 19 -8.072 -6.024 -8.431 1.00 0.00 C ATOM 286 CG PRO A 19 -9.086 -6.618 -7.514 1.00 0.00 C ATOM 287 CD PRO A 19 -9.448 -5.525 -6.554 1.00 0.00 C ATOM 0 HA PRO A 19 -6.327 -5.392 -7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.547 -5.529 -9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.412 -6.790 -8.839 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.961 -6.961 -8.066 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.681 -7.483 -6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.263 -4.908 -6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.770 -5.923 -5.592 1.00 0.00 H new ATOM 295 N VAL A 20 -5.875 -3.836 -9.118 1.00 0.00 N ATOM 296 CA VAL A 20 -5.391 -2.703 -9.897 1.00 0.00 C ATOM 297 C VAL A 20 -5.436 -3.011 -11.394 1.00 0.00 C ATOM 298 O VAL A 20 -5.611 -4.165 -11.789 1.00 0.00 O ATOM 299 CB VAL A 20 -3.946 -2.334 -9.495 1.00 0.00 C ATOM 300 CG1 VAL A 20 -3.908 -1.796 -8.075 1.00 0.00 C ATOM 301 CG2 VAL A 20 -3.028 -3.537 -9.638 1.00 0.00 C ATOM 0 H VAL A 20 -5.299 -4.674 -9.200 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.047 -1.858 -9.686 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.591 -1.552 -10.166 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.882 -1.542 -7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.532 -0.905 -8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.283 -2.555 -7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.014 -3.258 -9.350 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.380 -4.342 -8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.031 -3.876 -10.674 1.00 0.00 H new ATOM 311 N PRO A 21 -5.308 -1.982 -12.250 1.00 0.00 N ATOM 312 CA PRO A 21 -5.263 -2.165 -13.705 1.00 0.00 C ATOM 313 C PRO A 21 -3.994 -2.881 -14.154 1.00 0.00 C ATOM 314 O PRO A 21 -2.931 -2.708 -13.560 1.00 0.00 O ATOM 315 CB PRO A 21 -5.282 -0.733 -14.263 1.00 0.00 C ATOM 316 CG PRO A 21 -5.686 0.134 -13.119 1.00 0.00 C ATOM 317 CD PRO A 21 -5.208 -0.564 -11.880 1.00 0.00 C ATOM 0 HA PRO A 21 -6.091 -2.781 -14.056 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.302 -0.447 -14.645 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.985 -0.644 -15.091 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.240 1.125 -13.205 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.767 0.271 -13.097 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.186 -0.283 -11.625 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.829 -0.326 -11.016 1.00 0.00 H new ATOM 325 N LYS A 22 -4.109 -3.672 -15.219 1.00 0.00 N ATOM 326 CA LYS A 22 -2.970 -4.424 -15.742 1.00 0.00 C ATOM 327 C LYS A 22 -2.061 -3.545 -16.602 1.00 0.00 C ATOM 328 O LYS A 22 -1.077 -4.018 -17.173 1.00 0.00 O ATOM 329 CB LYS A 22 -3.441 -5.636 -16.548 1.00 0.00 C ATOM 330 CG LYS A 22 -4.058 -6.733 -15.694 1.00 0.00 C ATOM 331 CD LYS A 22 -4.330 -7.985 -16.511 1.00 0.00 C ATOM 332 CE LYS A 22 -4.787 -9.136 -15.633 1.00 0.00 C ATOM 333 NZ LYS A 22 -4.972 -10.387 -16.414 1.00 0.00 N ATOM 0 H LYS A 22 -4.978 -3.809 -15.736 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.393 -4.772 -14.885 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.172 -5.308 -17.287 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.594 -6.048 -17.097 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.388 -6.974 -14.869 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.989 -6.374 -15.255 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.093 -7.773 -17.260 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.427 -8.273 -17.049 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.054 -9.305 -14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.725 -8.870 -15.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.284 -11.149 -15.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.690 -10.234 -17.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.071 -10.655 -16.859 1.00 0.00 H new ATOM 347 N LYS A 23 -2.403 -2.271 -16.703 1.00 0.00 N ATOM 348 CA LYS A 23 -1.563 -1.305 -17.393 1.00 0.00 C ATOM 349 C LYS A 23 -1.583 0.027 -16.659 1.00 0.00 C ATOM 350 O LYS A 23 -2.645 0.595 -16.408 1.00 0.00 O ATOM 351 CB LYS A 23 -1.993 -1.134 -18.858 1.00 0.00 C ATOM 352 CG LYS A 23 -3.476 -0.856 -19.056 1.00 0.00 C ATOM 353 CD LYS A 23 -3.814 -0.713 -20.534 1.00 0.00 C ATOM 354 CE LYS A 23 -5.312 -0.571 -20.768 1.00 0.00 C ATOM 355 NZ LYS A 23 -6.066 -1.754 -20.273 1.00 0.00 N ATOM 0 H LYS A 23 -3.261 -1.880 -16.314 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.541 -1.684 -17.397 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.422 -0.316 -19.297 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.730 -2.038 -19.408 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.062 -1.666 -18.622 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.752 0.056 -18.527 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.300 0.158 -20.940 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.444 -1.583 -21.076 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.674 0.326 -20.266 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.502 -0.439 -21.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.017 -1.761 -20.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.562 -2.624 -20.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.147 -1.706 -19.237 1.00 0.00 H new ATOM 369 N LEU A 24 -0.404 0.491 -16.283 1.00 0.00 N ATOM 370 CA LEU A 24 -0.245 1.763 -15.597 1.00 0.00 C ATOM 371 C LEU A 24 0.941 2.507 -16.184 1.00 0.00 C ATOM 372 O LEU A 24 2.077 2.035 -16.107 1.00 0.00 O ATOM 373 CB LEU A 24 -0.034 1.544 -14.097 1.00 0.00 C ATOM 374 CG LEU A 24 -1.266 1.082 -13.319 1.00 0.00 C ATOM 375 CD1 LEU A 24 -0.888 0.767 -11.885 1.00 0.00 C ATOM 376 CD2 LEU A 24 -2.346 2.150 -13.354 1.00 0.00 C ATOM 0 H LEU A 24 0.473 -0.004 -16.445 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.151 2.354 -15.733 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.756 0.806 -13.963 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.323 2.476 -13.658 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.656 0.179 -13.788 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.773 0.439 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.139 -0.025 -11.872 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.480 1.660 -11.412 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.216 1.806 -12.796 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.966 3.067 -12.904 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.632 2.345 -14.388 1.00 0.00 H new ATOM 388 N LYS A 25 0.674 3.646 -16.796 1.00 0.00 N ATOM 389 CA LYS A 25 1.719 4.427 -17.431 1.00 0.00 C ATOM 390 C LYS A 25 1.983 5.705 -16.645 1.00 0.00 C ATOM 391 O LYS A 25 1.346 5.955 -15.621 1.00 0.00 O ATOM 392 CB LYS A 25 1.334 4.749 -18.875 1.00 0.00 C ATOM 393 CG LYS A 25 0.935 3.519 -19.673 1.00 0.00 C ATOM 394 CD LYS A 25 0.722 3.841 -21.141 1.00 0.00 C ATOM 395 CE LYS A 25 0.141 2.651 -21.890 1.00 0.00 C ATOM 396 NZ LYS A 25 0.971 1.428 -21.736 1.00 0.00 N ATOM 0 H LYS A 25 -0.259 4.051 -16.867 1.00 0.00 H new ATOM 0 HA LYS A 25 2.637 3.839 -17.441 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.507 5.459 -18.875 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.174 5.238 -19.368 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.709 2.757 -19.577 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.020 3.098 -19.257 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.051 4.695 -21.234 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.671 4.130 -21.593 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.867 2.452 -21.525 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.054 2.898 -22.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.564 0.658 -22.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.940 1.623 -22.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.991 1.146 -20.735 1.00 0.00 H new ATOM 410 N VAL A 26 2.919 6.508 -17.128 1.00 0.00 N ATOM 411 CA VAL A 26 3.332 7.713 -16.423 1.00 0.00 C ATOM 412 C VAL A 26 2.191 8.721 -16.340 1.00 0.00 C ATOM 413 O VAL A 26 1.638 9.141 -17.359 1.00 0.00 O ATOM 414 CB VAL A 26 4.548 8.375 -17.101 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.079 9.527 -16.261 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.640 7.348 -17.359 1.00 0.00 C ATOM 0 H VAL A 26 3.409 6.347 -18.008 1.00 0.00 H new ATOM 0 HA VAL A 26 3.614 7.408 -15.415 1.00 0.00 H new ATOM 0 HB VAL A 26 4.224 8.780 -18.060 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.937 9.977 -16.761 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.297 10.276 -16.136 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.384 9.154 -15.283 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.490 7.834 -17.838 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.958 6.910 -16.413 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.255 6.564 -18.011 1.00 0.00 H new ATOM 426 N GLY A 27 1.836 9.088 -15.119 1.00 0.00 N ATOM 427 CA GLY A 27 0.804 10.080 -14.913 1.00 0.00 C ATOM 428 C GLY A 27 -0.521 9.465 -14.517 1.00 0.00 C ATOM 429 O GLY A 27 -1.486 10.181 -14.244 1.00 0.00 O ATOM 0 H GLY A 27 2.247 8.714 -14.263 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.124 10.776 -14.138 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.673 10.659 -15.827 1.00 0.00 H new ATOM 433 N GLU A 28 -0.577 8.139 -14.489 1.00 0.00 N ATOM 434 CA GLU A 28 -1.799 7.446 -14.115 1.00 0.00 C ATOM 435 C GLU A 28 -1.789 7.117 -12.627 1.00 0.00 C ATOM 436 O GLU A 28 -0.735 6.837 -12.049 1.00 0.00 O ATOM 437 CB GLU A 28 -1.979 6.178 -14.952 1.00 0.00 C ATOM 438 CG GLU A 28 -1.883 6.436 -16.449 1.00 0.00 C ATOM 439 CD GLU A 28 -2.538 5.355 -17.279 1.00 0.00 C ATOM 440 OE1 GLU A 28 -1.980 4.243 -17.378 1.00 0.00 O ATOM 441 OE2 GLU A 28 -3.624 5.616 -17.839 1.00 0.00 O ATOM 0 H GLU A 28 0.206 7.527 -14.720 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.645 8.104 -14.314 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.221 5.449 -14.665 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.949 5.735 -14.727 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.349 7.394 -16.677 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.833 6.517 -16.731 1.00 0.00 H new ATOM 448 N THR A 29 -2.961 7.169 -12.011 1.00 0.00 N ATOM 449 CA THR A 29 -3.075 6.976 -10.576 1.00 0.00 C ATOM 450 C THR A 29 -3.912 5.737 -10.257 1.00 0.00 C ATOM 451 O THR A 29 -5.103 5.685 -10.569 1.00 0.00 O ATOM 452 CB THR A 29 -3.725 8.207 -9.916 1.00 0.00 C ATOM 453 OG1 THR A 29 -3.207 9.410 -10.504 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.462 8.217 -8.419 1.00 0.00 C ATOM 0 H THR A 29 -3.847 7.344 -12.485 1.00 0.00 H new ATOM 0 HA THR A 29 -2.069 6.839 -10.180 1.00 0.00 H new ATOM 0 HB THR A 29 -4.801 8.156 -10.081 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.626 10.188 -10.080 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.930 9.095 -7.973 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.880 7.316 -7.970 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.387 8.248 -8.239 1.00 0.00 H new ATOM 462 N ALA A 30 -3.287 4.748 -9.642 1.00 0.00 N ATOM 463 CA ALA A 30 -3.985 3.536 -9.246 1.00 0.00 C ATOM 464 C ALA A 30 -4.448 3.645 -7.801 1.00 0.00 C ATOM 465 O ALA A 30 -3.631 3.765 -6.889 1.00 0.00 O ATOM 466 CB ALA A 30 -3.085 2.320 -9.424 1.00 0.00 C ATOM 0 H ALA A 30 -2.295 4.760 -9.405 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.859 3.414 -9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.624 1.422 -9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.792 2.234 -10.470 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.194 2.433 -8.806 1.00 0.00 H new ATOM 472 N GLU A 31 -5.756 3.625 -7.598 1.00 0.00 N ATOM 473 CA GLU A 31 -6.309 3.702 -6.257 1.00 0.00 C ATOM 474 C GLU A 31 -6.408 2.308 -5.649 1.00 0.00 C ATOM 475 O GLU A 31 -7.323 1.537 -5.960 1.00 0.00 O ATOM 476 CB GLU A 31 -7.685 4.373 -6.269 1.00 0.00 C ATOM 477 CG GLU A 31 -8.269 4.583 -4.879 1.00 0.00 C ATOM 478 CD GLU A 31 -9.663 5.169 -4.913 1.00 0.00 C ATOM 479 OE1 GLU A 31 -10.623 4.407 -5.140 1.00 0.00 O ATOM 480 OE2 GLU A 31 -9.806 6.391 -4.696 1.00 0.00 O ATOM 0 H GLU A 31 -6.451 3.556 -8.342 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.640 4.309 -5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.606 5.337 -6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.373 3.764 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.293 3.629 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.615 5.245 -4.311 1.00 0.00 H new ATOM 487 N ILE A 32 -5.450 1.986 -4.799 1.00 0.00 N ATOM 488 CA ILE A 32 -5.428 0.706 -4.121 1.00 0.00 C ATOM 489 C ILE A 32 -6.078 0.845 -2.754 1.00 0.00 C ATOM 490 O ILE A 32 -5.464 1.346 -1.811 1.00 0.00 O ATOM 491 CB ILE A 32 -3.986 0.176 -3.941 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.224 0.232 -5.268 1.00 0.00 C ATOM 493 CG2 ILE A 32 -4.006 -1.249 -3.395 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.768 -0.169 -5.155 1.00 0.00 C ATOM 0 H ILE A 32 -4.671 2.600 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.978 -0.005 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.471 0.814 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.717 -0.423 -5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.282 1.245 -5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.983 -1.607 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.511 -1.262 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.538 -1.898 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.296 -0.104 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.259 0.501 -4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.700 -1.193 -4.787 1.00 0.00 H new ATOM 506 N ARG A 33 -7.328 0.442 -2.652 1.00 0.00 N ATOM 507 CA ARG A 33 -8.022 0.510 -1.380 1.00 0.00 C ATOM 508 C ARG A 33 -7.658 -0.696 -0.532 1.00 0.00 C ATOM 509 O ARG A 33 -7.788 -1.839 -0.970 1.00 0.00 O ATOM 510 CB ARG A 33 -9.536 0.605 -1.584 1.00 0.00 C ATOM 511 CG ARG A 33 -9.959 1.856 -2.333 1.00 0.00 C ATOM 512 CD ARG A 33 -11.470 2.011 -2.372 1.00 0.00 C ATOM 513 NE ARG A 33 -11.869 3.182 -3.150 1.00 0.00 N ATOM 514 CZ ARG A 33 -12.921 3.949 -2.879 1.00 0.00 C ATOM 515 NH1 ARG A 33 -13.686 3.700 -1.823 1.00 0.00 N ATOM 516 NH2 ARG A 33 -13.194 4.980 -3.668 1.00 0.00 N ATOM 0 H ARG A 33 -7.880 0.068 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.708 1.413 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.878 -0.273 -2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.029 0.586 -0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.517 2.731 -1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.572 1.818 -3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.917 1.116 -2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.854 2.100 -1.356 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.299 3.429 -3.959 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.469 2.914 -1.210 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.491 4.295 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.600 5.178 -4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.998 5.575 -3.470 1.00 0.00 H new ATOM 530 N CYS A 34 -7.163 -0.429 0.661 1.00 0.00 N ATOM 531 CA CYS A 34 -6.759 -1.481 1.573 1.00 0.00 C ATOM 532 C CYS A 34 -7.608 -1.410 2.830 1.00 0.00 C ATOM 533 O CYS A 34 -7.705 -0.358 3.465 1.00 0.00 O ATOM 534 CB CYS A 34 -5.278 -1.336 1.925 1.00 0.00 C ATOM 535 SG CYS A 34 -4.185 -1.209 0.488 1.00 0.00 S ATOM 0 H CYS A 34 -7.030 0.515 1.023 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.905 -2.449 1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.148 -0.450 2.546 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.973 -2.193 2.525 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.630 -0.290 -0.316 1.00 0.00 H new ATOM 541 N GLN A 35 -8.225 -2.518 3.182 1.00 0.00 N ATOM 542 CA GLN A 35 -9.128 -2.540 4.313 1.00 0.00 C ATOM 543 C GLN A 35 -8.816 -3.704 5.238 1.00 0.00 C ATOM 544 O GLN A 35 -8.970 -4.871 4.870 1.00 0.00 O ATOM 545 CB GLN A 35 -10.571 -2.625 3.818 1.00 0.00 C ATOM 546 CG GLN A 35 -11.600 -2.404 4.906 1.00 0.00 C ATOM 547 CD GLN A 35 -13.008 -2.380 4.361 1.00 0.00 C ATOM 548 OE1 GLN A 35 -13.693 -3.404 4.314 1.00 0.00 O ATOM 549 NE2 GLN A 35 -13.442 -1.208 3.928 1.00 0.00 N ATOM 0 H GLN A 35 -8.118 -3.412 2.703 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.996 -1.619 4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.721 -1.884 3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.735 -3.604 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.514 -3.195 5.651 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.393 -1.462 5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.839 -0.387 3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.380 -1.125 3.535 1.00 0.00 H new ATOM 558 N LEU A 36 -8.364 -3.380 6.437 1.00 0.00 N ATOM 559 CA LEU A 36 -8.107 -4.384 7.448 1.00 0.00 C ATOM 560 C LEU A 36 -9.409 -4.713 8.164 1.00 0.00 C ATOM 561 O LEU A 36 -10.020 -3.851 8.801 1.00 0.00 O ATOM 562 CB LEU A 36 -7.037 -3.888 8.434 1.00 0.00 C ATOM 563 CG LEU A 36 -6.576 -4.906 9.487 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.145 -4.620 9.906 1.00 0.00 C ATOM 565 CD2 LEU A 36 -7.478 -4.873 10.709 1.00 0.00 C ATOM 0 H LEU A 36 -8.167 -2.424 6.733 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.725 -5.291 6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.166 -3.564 7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.425 -3.010 8.950 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.631 -5.898 9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.832 -5.350 10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.491 -4.687 9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.083 -3.618 10.330 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.129 -5.604 11.439 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.454 -3.877 11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.499 -5.114 10.414 1.00 0.00 H new ATOM 577 N HIS A 37 -9.841 -5.953 8.034 1.00 0.00 N ATOM 578 CA HIS A 37 -11.070 -6.400 8.663 1.00 0.00 C ATOM 579 C HIS A 37 -10.797 -6.818 10.096 1.00 0.00 C ATOM 580 O HIS A 37 -10.131 -7.824 10.348 1.00 0.00 O ATOM 581 CB HIS A 37 -11.700 -7.558 7.882 1.00 0.00 C ATOM 582 CG HIS A 37 -12.202 -7.170 6.523 1.00 0.00 C ATOM 583 ND1 HIS A 37 -11.842 -7.827 5.365 1.00 0.00 N ATOM 584 CD2 HIS A 37 -13.059 -6.193 6.146 1.00 0.00 C ATOM 585 CE1 HIS A 37 -12.453 -7.269 4.337 1.00 0.00 C ATOM 586 NE2 HIS A 37 -13.197 -6.277 4.783 1.00 0.00 N ATOM 0 H HIS A 37 -9.357 -6.672 7.496 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.777 -5.570 8.662 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.963 -8.354 7.773 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.528 -7.967 8.462 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.544 -5.480 6.796 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -12.359 -7.574 3.305 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -13.781 -5.670 4.208 1.00 0.00 H new ATOM 595 N ARG A 38 -11.286 -6.021 11.027 1.00 0.00 N ATOM 596 CA ARG A 38 -11.119 -6.310 12.438 1.00 0.00 C ATOM 597 C ARG A 38 -12.195 -7.272 12.901 1.00 0.00 C ATOM 598 O ARG A 38 -13.387 -6.977 12.788 1.00 0.00 O ATOM 599 CB ARG A 38 -11.176 -5.024 13.264 1.00 0.00 C ATOM 600 CG ARG A 38 -10.076 -4.035 12.923 1.00 0.00 C ATOM 601 CD ARG A 38 -9.160 -3.776 14.110 1.00 0.00 C ATOM 602 NE ARG A 38 -9.846 -3.081 15.199 1.00 0.00 N ATOM 603 CZ ARG A 38 -9.301 -2.845 16.394 1.00 0.00 C ATOM 604 NH1 ARG A 38 -8.060 -3.241 16.649 1.00 0.00 N ATOM 605 NH2 ARG A 38 -9.990 -2.200 17.328 1.00 0.00 N ATOM 0 H ARG A 38 -11.804 -5.165 10.830 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.141 -6.770 12.583 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.144 -4.546 13.111 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.110 -5.278 14.322 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.489 -4.418 12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.521 -3.095 12.596 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.768 -4.724 14.477 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.306 -3.183 13.784 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.799 -2.757 15.035 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.522 -3.726 15.931 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.645 -3.060 17.563 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.940 -1.883 17.133 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.570 -2.022 18.240 1.00 0.00 H new ATOM 619 N ASP A 39 -11.777 -8.428 13.394 1.00 0.00 N ATOM 620 CA ASP A 39 -12.713 -9.411 13.925 1.00 0.00 C ATOM 621 C ASP A 39 -13.467 -8.821 15.109 1.00 0.00 C ATOM 622 O ASP A 39 -14.674 -9.009 15.250 1.00 0.00 O ATOM 623 CB ASP A 39 -11.979 -10.686 14.354 1.00 0.00 C ATOM 624 CG ASP A 39 -12.916 -11.724 14.945 1.00 0.00 C ATOM 625 OD1 ASP A 39 -13.145 -11.698 16.169 1.00 0.00 O ATOM 626 OD2 ASP A 39 -13.435 -12.568 14.183 1.00 0.00 O ATOM 0 H ASP A 39 -10.798 -8.709 13.438 1.00 0.00 H new ATOM 0 HA ASP A 39 -13.422 -9.672 13.139 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -11.465 -11.113 13.493 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.214 -10.432 15.088 1.00 0.00 H new ATOM 631 N GLY A 40 -12.740 -8.099 15.944 1.00 0.00 N ATOM 632 CA GLY A 40 -13.342 -7.433 17.075 1.00 0.00 C ATOM 633 C GLY A 40 -12.619 -6.148 17.412 1.00 0.00 C ATOM 634 O GLY A 40 -12.553 -5.232 16.590 1.00 0.00 O ATOM 0 H GLY A 40 -11.733 -7.962 15.856 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.388 -7.217 16.857 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.328 -8.097 17.939 1.00 0.00 H new ATOM 638 N ARG A 41 -12.060 -6.086 18.610 1.00 0.00 N ATOM 639 CA ARG A 41 -11.314 -4.915 19.049 1.00 0.00 C ATOM 640 C ARG A 41 -9.960 -5.307 19.615 1.00 0.00 C ATOM 641 O ARG A 41 -8.922 -4.950 19.056 1.00 0.00 O ATOM 642 CB ARG A 41 -12.074 -4.138 20.124 1.00 0.00 C ATOM 643 CG ARG A 41 -13.300 -3.398 19.630 1.00 0.00 C ATOM 644 CD ARG A 41 -13.910 -2.581 20.753 1.00 0.00 C ATOM 645 NE ARG A 41 -15.060 -1.798 20.316 1.00 0.00 N ATOM 646 CZ ARG A 41 -15.929 -1.241 21.154 1.00 0.00 C ATOM 647 NH1 ARG A 41 -15.780 -1.384 22.465 1.00 0.00 N ATOM 648 NH2 ARG A 41 -16.947 -0.530 20.688 1.00 0.00 N ATOM 0 H ARG A 41 -12.109 -6.836 19.299 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.180 -4.286 18.169 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.378 -4.833 20.907 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.394 -3.420 20.582 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.029 -2.744 18.801 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.033 -4.109 19.249 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.215 -3.249 21.559 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.154 -1.911 21.163 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.205 -1.671 19.314 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.996 -1.923 22.833 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.449 -0.955 23.104 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.066 -0.408 19.682 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.611 -0.105 21.335 1.00 0.00 H new ATOM 662 N PHE A 42 -9.993 -6.064 20.715 1.00 0.00 N ATOM 663 CA PHE A 42 -8.820 -6.306 21.545 1.00 0.00 C ATOM 664 C PHE A 42 -8.373 -4.996 22.192 1.00 0.00 C ATOM 665 O PHE A 42 -8.717 -4.718 23.340 1.00 0.00 O ATOM 666 CB PHE A 42 -7.675 -6.935 20.747 1.00 0.00 C ATOM 667 CG PHE A 42 -6.485 -7.270 21.594 1.00 0.00 C ATOM 668 CD1 PHE A 42 -6.568 -8.270 22.543 1.00 0.00 C ATOM 669 CD2 PHE A 42 -5.294 -6.578 21.451 1.00 0.00 C ATOM 670 CE1 PHE A 42 -5.481 -8.582 23.337 1.00 0.00 C ATOM 671 CE2 PHE A 42 -4.204 -6.882 22.243 1.00 0.00 C ATOM 672 CZ PHE A 42 -4.297 -7.886 23.187 1.00 0.00 C ATOM 0 H PHE A 42 -10.838 -6.525 21.052 1.00 0.00 H new ATOM 0 HA PHE A 42 -9.094 -7.019 22.322 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.034 -7.842 20.260 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.370 -6.248 19.957 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.493 -8.814 22.666 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.217 -5.793 20.713 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.557 -9.368 24.073 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.280 -6.335 22.124 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.446 -8.127 23.807 1.00 0.00 H new ATOM 682 N GLU A 43 -7.640 -4.191 21.434 1.00 0.00 N ATOM 683 CA GLU A 43 -7.201 -2.869 21.870 1.00 0.00 C ATOM 684 C GLU A 43 -6.970 -1.987 20.653 1.00 0.00 C ATOM 685 O GLU A 43 -7.313 -2.367 19.527 1.00 0.00 O ATOM 686 CB GLU A 43 -5.904 -2.940 22.686 1.00 0.00 C ATOM 687 CG GLU A 43 -6.065 -3.521 24.080 1.00 0.00 C ATOM 688 CD GLU A 43 -4.906 -3.171 24.985 1.00 0.00 C ATOM 689 OE1 GLU A 43 -4.964 -2.107 25.634 1.00 0.00 O ATOM 690 OE2 GLU A 43 -3.930 -3.947 25.048 1.00 0.00 O ATOM 0 H GLU A 43 -7.331 -4.437 20.494 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.982 -2.452 22.506 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.178 -3.540 22.138 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.488 -1.936 22.771 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.991 -3.152 24.520 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.155 -4.605 24.011 1.00 0.00 H new ATOM 697 N GLU A 44 -6.376 -0.822 20.869 1.00 0.00 N ATOM 698 CA GLU A 44 -6.000 0.050 19.767 1.00 0.00 C ATOM 699 C GLU A 44 -4.697 -0.437 19.148 1.00 0.00 C ATOM 700 O GLU A 44 -3.656 0.212 19.261 1.00 0.00 O ATOM 701 CB GLU A 44 -5.861 1.501 20.231 1.00 0.00 C ATOM 702 CG GLU A 44 -7.163 2.110 20.719 1.00 0.00 C ATOM 703 CD GLU A 44 -7.028 3.583 21.034 1.00 0.00 C ATOM 704 OE1 GLU A 44 -7.153 4.406 20.102 1.00 0.00 O ATOM 705 OE2 GLU A 44 -6.814 3.924 22.216 1.00 0.00 O ATOM 0 H GLU A 44 -6.145 -0.460 21.794 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.790 0.016 19.016 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.124 1.548 21.033 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.475 2.102 19.408 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.932 1.973 19.959 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.497 1.580 21.611 1.00 0.00 H new ATOM 712 N THR A 45 -4.763 -1.612 18.539 1.00 0.00 N ATOM 713 CA THR A 45 -3.617 -2.214 17.883 1.00 0.00 C ATOM 714 C THR A 45 -3.113 -1.319 16.755 1.00 0.00 C ATOM 715 O THR A 45 -3.821 -1.081 15.779 1.00 0.00 O ATOM 716 CB THR A 45 -3.992 -3.595 17.313 1.00 0.00 C ATOM 717 OG1 THR A 45 -4.725 -4.341 18.297 1.00 0.00 O ATOM 718 CG2 THR A 45 -2.750 -4.370 16.908 1.00 0.00 C ATOM 0 H THR A 45 -5.613 -2.173 18.487 1.00 0.00 H new ATOM 0 HA THR A 45 -2.826 -2.332 18.623 1.00 0.00 H new ATOM 0 HB THR A 45 -4.610 -3.446 16.428 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.964 -5.218 17.931 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.041 -5.341 16.509 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.206 -3.813 16.146 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.110 -4.513 17.779 1.00 0.00 H new ATOM 726 N LYS A 46 -1.905 -0.803 16.910 1.00 0.00 N ATOM 727 CA LYS A 46 -1.318 0.057 15.900 1.00 0.00 C ATOM 728 C LYS A 46 -0.693 -0.778 14.793 1.00 0.00 C ATOM 729 O LYS A 46 0.235 -1.548 15.033 1.00 0.00 O ATOM 730 CB LYS A 46 -0.271 0.980 16.526 1.00 0.00 C ATOM 731 CG LYS A 46 -0.855 1.937 17.551 1.00 0.00 C ATOM 732 CD LYS A 46 0.231 2.728 18.260 1.00 0.00 C ATOM 733 CE LYS A 46 -0.349 3.646 19.323 1.00 0.00 C ATOM 734 NZ LYS A 46 0.714 4.266 20.155 1.00 0.00 N ATOM 0 H LYS A 46 -1.314 -0.965 17.725 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.107 0.672 15.468 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.500 0.374 17.002 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.216 1.554 15.738 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.543 2.624 17.058 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.435 1.376 18.284 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.941 2.041 18.720 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.786 3.319 17.531 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.939 4.428 18.845 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.027 3.080 19.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.279 4.885 20.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.262 3.521 20.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.346 4.827 19.549 1.00 0.00 H new ATOM 748 N TYR A 47 -1.222 -0.633 13.592 1.00 0.00 N ATOM 749 CA TYR A 47 -0.710 -1.360 12.443 1.00 0.00 C ATOM 750 C TYR A 47 0.232 -0.461 11.655 1.00 0.00 C ATOM 751 O TYR A 47 -0.080 0.707 11.413 1.00 0.00 O ATOM 752 CB TYR A 47 -1.860 -1.824 11.551 1.00 0.00 C ATOM 753 CG TYR A 47 -2.982 -2.499 12.306 1.00 0.00 C ATOM 754 CD1 TYR A 47 -2.873 -3.817 12.723 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.150 -1.810 12.610 1.00 0.00 C ATOM 756 CE1 TYR A 47 -3.895 -4.429 13.423 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.178 -2.416 13.307 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.043 -3.726 13.711 1.00 0.00 C ATOM 759 OH TYR A 47 -6.054 -4.337 14.417 1.00 0.00 O ATOM 0 H TYR A 47 -2.008 -0.017 13.386 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.167 -2.239 12.790 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.261 -0.964 11.014 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.471 -2.514 10.802 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.975 -4.374 12.497 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.256 -0.782 12.296 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.794 -5.455 13.743 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.080 -1.867 13.533 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.841 -5.286 14.538 1.00 0.00 H new ATOM 769 N PHE A 48 1.377 -0.995 11.265 1.00 0.00 N ATOM 770 CA PHE A 48 2.378 -0.210 10.558 1.00 0.00 C ATOM 771 C PHE A 48 2.573 -0.741 9.145 1.00 0.00 C ATOM 772 O PHE A 48 2.572 -1.952 8.921 1.00 0.00 O ATOM 773 CB PHE A 48 3.704 -0.232 11.316 1.00 0.00 C ATOM 774 CG PHE A 48 3.611 0.327 12.706 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.685 1.692 12.923 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.447 -0.514 13.796 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.597 2.211 14.200 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.358 -0.002 15.075 1.00 0.00 C ATOM 779 CZ PHE A 48 3.434 1.362 15.277 1.00 0.00 C ATOM 0 H PHE A 48 1.638 -1.968 11.425 1.00 0.00 H new ATOM 0 HA PHE A 48 2.026 0.820 10.497 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.065 -1.259 11.370 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.444 0.337 10.753 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.813 2.359 12.084 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.388 -1.581 13.643 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.656 3.278 14.356 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.229 -0.667 15.916 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.366 1.765 16.277 1.00 0.00 H new ATOM 789 N ILE A 49 2.739 0.164 8.196 1.00 0.00 N ATOM 790 CA ILE A 49 2.910 -0.224 6.810 1.00 0.00 C ATOM 791 C ILE A 49 4.297 0.180 6.300 1.00 0.00 C ATOM 792 O ILE A 49 4.738 1.319 6.488 1.00 0.00 O ATOM 793 CB ILE A 49 1.799 0.387 5.920 1.00 0.00 C ATOM 794 CG1 ILE A 49 1.929 -0.098 4.475 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.824 1.911 5.984 1.00 0.00 C ATOM 796 CD1 ILE A 49 0.824 0.401 3.568 1.00 0.00 C ATOM 0 H ILE A 49 2.759 1.170 8.361 1.00 0.00 H new ATOM 0 HA ILE A 49 2.828 -1.309 6.753 1.00 0.00 H new ATOM 0 HB ILE A 49 0.837 0.049 6.306 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.890 0.227 4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.932 -1.188 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.034 2.315 5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.665 2.235 7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.791 2.274 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.980 0.018 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.139 0.054 3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.834 1.491 3.548 1.00 0.00 H new ATOM 808 N ARG A 50 4.991 -0.772 5.691 1.00 0.00 N ATOM 809 CA ARG A 50 6.316 -0.529 5.134 1.00 0.00 C ATOM 810 C ARG A 50 6.409 -1.170 3.756 1.00 0.00 C ATOM 811 O ARG A 50 6.016 -2.318 3.574 1.00 0.00 O ATOM 812 CB ARG A 50 7.398 -1.088 6.059 1.00 0.00 C ATOM 813 CG ARG A 50 8.810 -0.682 5.660 1.00 0.00 C ATOM 814 CD ARG A 50 9.842 -1.208 6.646 1.00 0.00 C ATOM 815 NE ARG A 50 9.872 -2.669 6.683 1.00 0.00 N ATOM 816 CZ ARG A 50 9.920 -3.389 7.803 1.00 0.00 C ATOM 817 NH1 ARG A 50 9.965 -2.786 8.987 1.00 0.00 N ATOM 818 NH2 ARG A 50 9.941 -4.712 7.729 1.00 0.00 N ATOM 0 H ARG A 50 4.655 -1.727 5.569 1.00 0.00 H new ATOM 0 HA ARG A 50 6.474 0.545 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.205 -0.749 7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.330 -2.176 6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.031 -1.063 4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.876 0.405 5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.828 -0.832 6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.619 -0.825 7.642 1.00 0.00 H new ATOM 0 HE ARG A 50 9.855 -3.169 5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.963 -1.767 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.002 -3.342 9.841 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.920 -5.172 6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.978 -5.270 8.582 1.00 0.00 H new ATOM 832 N TYR A 51 6.942 -0.435 2.799 1.00 0.00 N ATOM 833 CA TYR A 51 6.885 -0.832 1.395 1.00 0.00 C ATOM 834 C TYR A 51 8.269 -0.817 0.779 1.00 0.00 C ATOM 835 O TYR A 51 8.828 0.243 0.514 1.00 0.00 O ATOM 836 CB TYR A 51 5.952 0.121 0.637 1.00 0.00 C ATOM 837 CG TYR A 51 5.496 1.263 1.509 1.00 0.00 C ATOM 838 CD1 TYR A 51 6.313 2.364 1.723 1.00 0.00 C ATOM 839 CD2 TYR A 51 4.278 1.209 2.170 1.00 0.00 C ATOM 840 CE1 TYR A 51 5.921 3.382 2.563 1.00 0.00 C ATOM 841 CE2 TYR A 51 3.889 2.220 3.018 1.00 0.00 C ATOM 842 CZ TYR A 51 4.712 3.299 3.211 1.00 0.00 C ATOM 843 OH TYR A 51 4.332 4.298 4.067 1.00 0.00 O ATOM 0 H TYR A 51 7.424 0.448 2.965 1.00 0.00 H new ATOM 0 HA TYR A 51 6.497 -1.848 1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.467 0.515 -0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.084 -0.430 0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.269 2.423 1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.626 0.362 2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.560 4.240 2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.939 2.164 3.529 1.00 0.00 H new ATOM 0 HH TYR A 51 4.810 5.123 3.840 1.00 0.00 H new ATOM 853 N PHE A 52 8.821 -1.992 0.564 1.00 0.00 N ATOM 854 CA PHE A 52 10.152 -2.102 0.002 1.00 0.00 C ATOM 855 C PHE A 52 10.072 -2.277 -1.506 1.00 0.00 C ATOM 856 O PHE A 52 9.528 -3.264 -1.997 1.00 0.00 O ATOM 857 CB PHE A 52 10.909 -3.277 0.629 1.00 0.00 C ATOM 858 CG PHE A 52 12.318 -3.415 0.126 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.302 -2.537 0.545 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.652 -4.416 -0.770 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.597 -2.657 0.083 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.946 -4.540 -1.238 1.00 0.00 C ATOM 863 CZ PHE A 52 14.919 -3.659 -0.810 1.00 0.00 C ATOM 0 H PHE A 52 8.370 -2.884 0.769 1.00 0.00 H new ATOM 0 HA PHE A 52 10.695 -1.184 0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.928 -3.151 1.712 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.366 -4.200 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.054 -1.749 1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.893 -5.107 -1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.357 -1.968 0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.196 -5.324 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.931 -3.754 -1.174 1.00 0.00 H new ATOM 873 N GLN A 53 10.595 -1.307 -2.236 1.00 0.00 N ATOM 874 CA GLN A 53 10.664 -1.406 -3.684 1.00 0.00 C ATOM 875 C GLN A 53 12.093 -1.718 -4.121 1.00 0.00 C ATOM 876 O GLN A 53 12.967 -0.855 -4.088 1.00 0.00 O ATOM 877 CB GLN A 53 10.152 -0.123 -4.350 1.00 0.00 C ATOM 878 CG GLN A 53 10.831 1.153 -3.869 1.00 0.00 C ATOM 879 CD GLN A 53 10.302 2.394 -4.560 1.00 0.00 C ATOM 880 OE1 GLN A 53 9.139 2.453 -4.951 1.00 0.00 O ATOM 881 NE2 GLN A 53 11.154 3.394 -4.716 1.00 0.00 N ATOM 0 H GLN A 53 10.977 -0.443 -1.851 1.00 0.00 H new ATOM 0 HA GLN A 53 10.017 -2.222 -4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.290 -0.209 -5.428 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.080 -0.039 -4.171 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.688 1.252 -2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.904 1.076 -4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.112 3.305 -4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.853 4.254 -5.175 1.00 0.00 H new ATOM 890 N PRO A 54 12.355 -2.978 -4.495 1.00 0.00 N ATOM 891 CA PRO A 54 13.679 -3.406 -4.954 1.00 0.00 C ATOM 892 C PRO A 54 14.120 -2.634 -6.188 1.00 0.00 C ATOM 893 O PRO A 54 15.250 -2.145 -6.264 1.00 0.00 O ATOM 894 CB PRO A 54 13.483 -4.888 -5.294 1.00 0.00 C ATOM 895 CG PRO A 54 12.262 -5.300 -4.549 1.00 0.00 C ATOM 896 CD PRO A 54 11.387 -4.085 -4.486 1.00 0.00 C ATOM 0 HA PRO A 54 14.451 -3.232 -4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.357 -5.033 -6.367 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.347 -5.479 -4.992 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.754 -6.121 -5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.515 -5.651 -3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.707 -4.033 -5.336 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.773 -4.076 -3.586 1.00 0.00 H new ATOM 904 N ASP A 55 13.212 -2.518 -7.145 1.00 0.00 N ATOM 905 CA ASP A 55 13.482 -1.805 -8.381 1.00 0.00 C ATOM 906 C ASP A 55 12.178 -1.300 -8.981 1.00 0.00 C ATOM 907 O ASP A 55 11.263 -2.082 -9.251 1.00 0.00 O ATOM 908 CB ASP A 55 14.218 -2.714 -9.370 1.00 0.00 C ATOM 909 CG ASP A 55 14.533 -2.025 -10.683 1.00 0.00 C ATOM 910 OD1 ASP A 55 15.253 -1.005 -10.672 1.00 0.00 O ATOM 911 OD2 ASP A 55 14.079 -2.515 -11.737 1.00 0.00 O ATOM 0 H ASP A 55 12.273 -2.913 -7.086 1.00 0.00 H new ATOM 0 HA ASP A 55 14.122 -0.949 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 55 15.146 -3.060 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.610 -3.597 -9.566 1.00 0.00 H new ATOM 916 N GLY A 56 12.086 0.009 -9.150 1.00 0.00 N ATOM 917 CA GLY A 56 10.884 0.610 -9.689 1.00 0.00 C ATOM 918 C GLY A 56 10.869 2.110 -9.485 1.00 0.00 C ATOM 919 O GLY A 56 11.708 2.646 -8.760 1.00 0.00 O ATOM 0 H GLY A 56 12.828 0.671 -8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.811 0.387 -10.753 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.010 0.169 -9.210 1.00 0.00 H new ATOM 923 N ALA A 57 9.923 2.791 -10.118 1.00 0.00 N ATOM 924 CA ALA A 57 9.829 4.238 -10.006 1.00 0.00 C ATOM 925 C ALA A 57 8.375 4.692 -9.953 1.00 0.00 C ATOM 926 O ALA A 57 7.708 4.806 -10.982 1.00 0.00 O ATOM 927 CB ALA A 57 10.555 4.911 -11.164 1.00 0.00 C ATOM 0 H ALA A 57 9.212 2.365 -10.713 1.00 0.00 H new ATOM 0 HA ALA A 57 10.309 4.535 -9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.474 5.993 -11.064 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.606 4.623 -11.151 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.105 4.599 -12.106 1.00 0.00 H new ATOM 933 N GLY A 58 7.888 4.938 -8.748 1.00 0.00 N ATOM 934 CA GLY A 58 6.525 5.392 -8.573 1.00 0.00 C ATOM 935 C GLY A 58 6.379 6.268 -7.348 1.00 0.00 C ATOM 936 O GLY A 58 7.328 6.431 -6.580 1.00 0.00 O ATOM 0 H GLY A 58 8.416 4.831 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.210 5.947 -9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.863 4.530 -8.485 1.00 0.00 H new ATOM 940 N THR A 59 5.204 6.849 -7.172 1.00 0.00 N ATOM 941 CA THR A 59 4.927 7.674 -6.010 1.00 0.00 C ATOM 942 C THR A 59 3.683 7.167 -5.287 1.00 0.00 C ATOM 943 O THR A 59 2.577 7.213 -5.826 1.00 0.00 O ATOM 944 CB THR A 59 4.735 9.150 -6.411 1.00 0.00 C ATOM 945 OG1 THR A 59 5.888 9.604 -7.133 1.00 0.00 O ATOM 946 CG2 THR A 59 4.524 10.029 -5.186 1.00 0.00 C ATOM 0 H THR A 59 4.424 6.763 -7.823 1.00 0.00 H new ATOM 0 HA THR A 59 5.784 7.609 -5.339 1.00 0.00 H new ATOM 0 HB THR A 59 3.848 9.221 -7.041 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.765 10.542 -7.389 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.391 11.064 -5.500 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.636 9.696 -4.648 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.393 9.956 -4.532 1.00 0.00 H new ATOM 954 N LEU A 60 3.872 6.662 -4.079 1.00 0.00 N ATOM 955 CA LEU A 60 2.770 6.121 -3.305 1.00 0.00 C ATOM 956 C LEU A 60 2.370 7.093 -2.200 1.00 0.00 C ATOM 957 O LEU A 60 3.181 7.451 -1.347 1.00 0.00 O ATOM 958 CB LEU A 60 3.162 4.763 -2.716 1.00 0.00 C ATOM 959 CG LEU A 60 2.055 4.029 -1.957 1.00 0.00 C ATOM 960 CD1 LEU A 60 0.882 3.719 -2.877 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.598 2.752 -1.334 1.00 0.00 C ATOM 0 H LEU A 60 4.779 6.616 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 60 1.911 5.980 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.509 4.122 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.006 4.909 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 60 1.697 4.680 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.107 3.197 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.477 4.649 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.221 3.089 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.799 2.241 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.984 2.100 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.401 2.999 -0.640 1.00 0.00 H new ATOM 973 N LYS A 61 1.129 7.544 -2.239 1.00 0.00 N ATOM 974 CA LYS A 61 0.607 8.414 -1.201 1.00 0.00 C ATOM 975 C LYS A 61 -0.651 7.824 -0.601 1.00 0.00 C ATOM 976 O LYS A 61 -1.397 7.113 -1.271 1.00 0.00 O ATOM 977 CB LYS A 61 0.297 9.809 -1.746 1.00 0.00 C ATOM 978 CG LYS A 61 1.500 10.731 -1.835 1.00 0.00 C ATOM 979 CD LYS A 61 1.084 12.132 -2.254 1.00 0.00 C ATOM 980 CE LYS A 61 0.579 12.161 -3.689 1.00 0.00 C ATOM 981 NZ LYS A 61 0.067 13.502 -4.073 1.00 0.00 N ATOM 0 H LYS A 61 0.463 7.322 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 61 1.375 8.502 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.142 9.708 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.456 10.275 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.004 10.771 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.217 10.331 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.303 12.495 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.932 12.810 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.386 11.875 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.214 11.422 -3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.267 13.477 -5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.721 13.765 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.830 14.203 -3.984 1.00 0.00 H new ATOM 995 N MET A 62 -0.879 8.113 0.661 1.00 0.00 N ATOM 996 CA MET A 62 -2.097 7.700 1.318 1.00 0.00 C ATOM 997 C MET A 62 -3.184 8.731 1.043 1.00 0.00 C ATOM 998 O MET A 62 -2.880 9.900 0.797 1.00 0.00 O ATOM 999 CB MET A 62 -1.857 7.553 2.822 1.00 0.00 C ATOM 1000 CG MET A 62 -3.004 6.895 3.568 1.00 0.00 C ATOM 1001 SD MET A 62 -2.670 6.714 5.330 1.00 0.00 S ATOM 1002 CE MET A 62 -1.190 5.707 5.292 1.00 0.00 C ATOM 0 H MET A 62 -0.233 8.635 1.254 1.00 0.00 H new ATOM 0 HA MET A 62 -2.417 6.733 0.930 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.951 6.968 2.980 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.677 8.540 3.249 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.909 7.488 3.432 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.198 5.913 3.136 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.212 4.996 6.118 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.143 5.165 4.348 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.312 6.346 5.388 1.00 0.00 H new ATOM 1012 N SER A 63 -4.439 8.297 1.074 1.00 0.00 N ATOM 1013 CA SER A 63 -5.579 9.176 0.833 1.00 0.00 C ATOM 1014 C SER A 63 -5.553 10.406 1.733 1.00 0.00 C ATOM 1015 O SER A 63 -6.048 11.470 1.368 1.00 0.00 O ATOM 1016 CB SER A 63 -6.873 8.401 1.065 1.00 0.00 C ATOM 1017 OG SER A 63 -6.789 7.604 2.244 1.00 0.00 O ATOM 0 H SER A 63 -4.695 7.329 1.266 1.00 0.00 H new ATOM 0 HA SER A 63 -5.522 9.521 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.707 9.097 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.078 7.763 0.205 1.00 0.00 H new ATOM 0 HG SER A 63 -6.609 8.180 3.016 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.946 10.251 2.898 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.953 11.288 3.913 1.00 0.00 C ATOM 1025 C ASP A 64 -3.751 12.215 3.754 1.00 0.00 C ATOM 1026 O ASP A 64 -3.367 12.921 4.686 1.00 0.00 O ATOM 1027 CB ASP A 64 -4.977 10.628 5.294 1.00 0.00 C ATOM 1028 CG ASP A 64 -6.197 9.737 5.470 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -6.294 8.704 4.765 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -7.074 10.075 6.297 1.00 0.00 O ATOM 0 H ASP A 64 -4.438 9.408 3.165 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.844 11.906 3.800 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.072 10.037 5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.974 11.398 6.066 1.00 0.00 H new ATOM 1035 N GLY A 65 -3.158 12.193 2.559 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.106 13.137 2.215 1.00 0.00 C ATOM 1037 C GLY A 65 -0.729 12.695 2.661 1.00 0.00 C ATOM 1038 O GLY A 65 0.259 13.383 2.413 1.00 0.00 O ATOM 0 H GLY A 65 -3.391 11.532 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.100 13.284 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.333 14.103 2.667 1.00 0.00 H new ATOM 1042 N THR A 66 -0.655 11.549 3.309 1.00 0.00 N ATOM 1043 CA THR A 66 0.610 11.041 3.808 1.00 0.00 C ATOM 1044 C THR A 66 1.468 10.499 2.667 1.00 0.00 C ATOM 1045 O THR A 66 1.079 9.548 1.985 1.00 0.00 O ATOM 1046 CB THR A 66 0.372 9.925 4.840 1.00 0.00 C ATOM 1047 OG1 THR A 66 -0.632 10.341 5.775 1.00 0.00 O ATOM 1048 CG2 THR A 66 1.654 9.587 5.584 1.00 0.00 C ATOM 0 H THR A 66 -1.457 10.950 3.503 1.00 0.00 H new ATOM 0 HA THR A 66 1.136 11.869 4.284 1.00 0.00 H new ATOM 0 HB THR A 66 0.037 9.033 4.311 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.784 9.629 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.457 8.795 6.307 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.409 9.250 4.874 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.016 10.473 6.106 1.00 0.00 H new ATOM 1056 N VAL A 67 2.622 11.118 2.446 1.00 0.00 N ATOM 1057 CA VAL A 67 3.558 10.636 1.442 1.00 0.00 C ATOM 1058 C VAL A 67 4.322 9.437 1.983 1.00 0.00 C ATOM 1059 O VAL A 67 5.034 9.536 2.986 1.00 0.00 O ATOM 1060 CB VAL A 67 4.550 11.733 0.995 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.568 11.175 0.006 1.00 0.00 C ATOM 1062 CG2 VAL A 67 3.802 12.906 0.379 1.00 0.00 C ATOM 0 H VAL A 67 2.930 11.951 2.947 1.00 0.00 H new ATOM 0 HA VAL A 67 2.978 10.343 0.567 1.00 0.00 H new ATOM 0 HB VAL A 67 5.087 12.085 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.255 11.966 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.128 10.367 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.049 10.792 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.515 13.670 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.238 12.563 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.116 13.327 1.114 1.00 0.00 H new ATOM 1072 N LEU A 68 4.158 8.308 1.318 1.00 0.00 N ATOM 1073 CA LEU A 68 4.702 7.054 1.795 1.00 0.00 C ATOM 1074 C LEU A 68 6.089 6.812 1.212 1.00 0.00 C ATOM 1075 O LEU A 68 6.254 6.715 -0.004 1.00 0.00 O ATOM 1076 CB LEU A 68 3.749 5.917 1.421 1.00 0.00 C ATOM 1077 CG LEU A 68 2.288 6.122 1.851 1.00 0.00 C ATOM 1078 CD1 LEU A 68 1.433 4.945 1.420 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.182 6.319 3.358 1.00 0.00 C ATOM 0 H LEU A 68 3.647 8.236 0.438 1.00 0.00 H new ATOM 0 HA LEU A 68 4.802 7.095 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.777 5.781 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.117 4.994 1.868 1.00 0.00 H new ATOM 0 HG LEU A 68 1.921 7.023 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.402 5.110 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.470 4.846 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.811 4.032 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.137 6.462 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.575 5.440 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.758 7.197 3.652 1.00 0.00 H new ATOM 1091 N LEU A 69 7.082 6.737 2.086 1.00 0.00 N ATOM 1092 CA LEU A 69 8.460 6.520 1.669 1.00 0.00 C ATOM 1093 C LEU A 69 8.884 5.089 1.974 1.00 0.00 C ATOM 1094 O LEU A 69 8.659 4.593 3.078 1.00 0.00 O ATOM 1095 CB LEU A 69 9.400 7.508 2.368 1.00 0.00 C ATOM 1096 CG LEU A 69 9.148 8.982 2.049 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.120 9.863 2.817 1.00 0.00 C ATOM 1098 CD2 LEU A 69 9.265 9.233 0.552 1.00 0.00 C ATOM 0 H LEU A 69 6.958 6.824 3.095 1.00 0.00 H new ATOM 0 HA LEU A 69 8.522 6.686 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.315 7.366 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.427 7.264 2.095 1.00 0.00 H new ATOM 0 HG LEU A 69 8.134 9.235 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.928 10.909 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.988 9.704 3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.142 9.609 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.082 10.287 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.266 8.965 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.530 8.627 0.023 1.00 0.00 H new ATOM 1110 N PRO A 70 9.495 4.412 0.990 1.00 0.00 N ATOM 1111 CA PRO A 70 9.885 2.998 1.100 1.00 0.00 C ATOM 1112 C PRO A 70 10.721 2.679 2.341 1.00 0.00 C ATOM 1113 O PRO A 70 10.524 1.646 2.982 1.00 0.00 O ATOM 1114 CB PRO A 70 10.715 2.762 -0.163 1.00 0.00 C ATOM 1115 CG PRO A 70 10.207 3.763 -1.139 1.00 0.00 C ATOM 1116 CD PRO A 70 9.844 4.976 -0.330 1.00 0.00 C ATOM 0 HA PRO A 70 9.007 2.360 1.195 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.779 2.901 0.030 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.589 1.746 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.966 4.003 -1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.341 3.379 -1.678 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.676 5.677 -0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.007 5.517 -0.770 1.00 0.00 H new ATOM 1124 N ASN A 71 11.651 3.561 2.680 1.00 0.00 N ATOM 1125 CA ASN A 71 12.551 3.318 3.802 1.00 0.00 C ATOM 1126 C ASN A 71 11.983 3.916 5.091 1.00 0.00 C ATOM 1127 O ASN A 71 12.688 4.078 6.088 1.00 0.00 O ATOM 1128 CB ASN A 71 13.933 3.902 3.497 1.00 0.00 C ATOM 1129 CG ASN A 71 15.019 3.386 4.427 1.00 0.00 C ATOM 1130 OD1 ASN A 71 15.982 4.092 4.723 1.00 0.00 O ATOM 1131 ND2 ASN A 71 14.890 2.147 4.879 1.00 0.00 N ATOM 0 H ASN A 71 11.803 4.447 2.198 1.00 0.00 H new ATOM 0 HA ASN A 71 12.649 2.242 3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.202 3.664 2.468 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.886 4.988 3.571 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.602 1.751 5.492 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.078 1.589 4.614 1.00 0.00 H new ATOM 1138 N ASP A 72 10.696 4.233 5.068 1.00 0.00 N ATOM 1139 CA ASP A 72 10.023 4.784 6.236 1.00 0.00 C ATOM 1140 C ASP A 72 8.962 3.825 6.755 1.00 0.00 C ATOM 1141 O ASP A 72 8.677 2.799 6.138 1.00 0.00 O ATOM 1142 CB ASP A 72 9.386 6.135 5.909 1.00 0.00 C ATOM 1143 CG ASP A 72 10.370 7.281 6.004 1.00 0.00 C ATOM 1144 OD1 ASP A 72 11.301 7.349 5.182 1.00 0.00 O ATOM 1145 OD2 ASP A 72 10.225 8.113 6.922 1.00 0.00 O ATOM 0 H ASP A 72 10.096 4.118 4.251 1.00 0.00 H new ATOM 0 HA ASP A 72 10.774 4.928 7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.969 6.102 4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.556 6.316 6.592 1.00 0.00 H new ATOM 1150 N LEU A 73 8.386 4.166 7.895 1.00 0.00 N ATOM 1151 CA LEU A 73 7.357 3.348 8.511 1.00 0.00 C ATOM 1152 C LEU A 73 6.238 4.240 9.035 1.00 0.00 C ATOM 1153 O LEU A 73 6.482 5.144 9.835 1.00 0.00 O ATOM 1154 CB LEU A 73 7.958 2.522 9.654 1.00 0.00 C ATOM 1155 CG LEU A 73 7.003 1.529 10.316 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.551 0.477 9.316 1.00 0.00 C ATOM 1157 CD2 LEU A 73 7.668 0.871 11.515 1.00 0.00 C ATOM 0 H LEU A 73 8.617 5.012 8.416 1.00 0.00 H new ATOM 0 HA LEU A 73 6.947 2.665 7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.818 1.973 9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.331 3.205 10.417 1.00 0.00 H new ATOM 0 HG LEU A 73 6.125 2.074 10.663 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.872 -0.221 9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.038 0.961 8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.419 -0.064 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.974 0.167 11.975 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.562 0.339 11.189 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.945 1.635 12.242 1.00 0.00 H new ATOM 1169 N TYR A 74 5.020 4.001 8.571 1.00 0.00 N ATOM 1170 CA TYR A 74 3.877 4.809 8.983 1.00 0.00 C ATOM 1171 C TYR A 74 2.811 3.955 9.653 1.00 0.00 C ATOM 1172 O TYR A 74 2.564 2.821 9.241 1.00 0.00 O ATOM 1173 CB TYR A 74 3.247 5.527 7.787 1.00 0.00 C ATOM 1174 CG TYR A 74 4.097 6.627 7.197 1.00 0.00 C ATOM 1175 CD1 TYR A 74 4.165 7.878 7.797 1.00 0.00 C ATOM 1176 CD2 TYR A 74 4.814 6.421 6.031 1.00 0.00 C ATOM 1177 CE1 TYR A 74 4.925 8.890 7.245 1.00 0.00 C ATOM 1178 CE2 TYR A 74 5.572 7.426 5.472 1.00 0.00 C ATOM 1179 CZ TYR A 74 5.625 8.657 6.082 1.00 0.00 C ATOM 1180 OH TYR A 74 6.374 9.664 5.515 1.00 0.00 O ATOM 0 H TYR A 74 4.796 3.257 7.911 1.00 0.00 H new ATOM 0 HA TYR A 74 4.252 5.545 9.694 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.035 4.793 7.010 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.291 5.950 8.096 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.615 8.062 8.708 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.778 5.454 5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.970 9.858 7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.122 7.248 4.560 1.00 0.00 H new ATOM 0 HH TYR A 74 6.081 9.810 4.591 1.00 0.00 H new ATOM 1190 N PRO A 75 2.180 4.489 10.706 1.00 0.00 N ATOM 1191 CA PRO A 75 1.026 3.857 11.334 1.00 0.00 C ATOM 1192 C PRO A 75 -0.252 4.115 10.538 1.00 0.00 C ATOM 1193 O PRO A 75 -0.452 5.208 9.999 1.00 0.00 O ATOM 1194 CB PRO A 75 0.960 4.532 12.704 1.00 0.00 C ATOM 1195 CG PRO A 75 1.553 5.884 12.494 1.00 0.00 C ATOM 1196 CD PRO A 75 2.559 5.747 11.378 1.00 0.00 C ATOM 0 HA PRO A 75 1.118 2.772 11.392 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.068 4.602 13.061 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.519 3.967 13.450 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.782 6.609 12.233 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.032 6.242 13.405 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.513 6.594 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.578 5.702 11.763 1.00 0.00 H new ATOM 1204 N LEU A 76 -1.104 3.105 10.454 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.350 3.215 9.707 1.00 0.00 C ATOM 1206 C LEU A 76 -3.371 4.052 10.473 1.00 0.00 C ATOM 1207 O LEU A 76 -3.417 4.014 11.705 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.915 1.821 9.415 1.00 0.00 C ATOM 1209 CG LEU A 76 -2.003 0.916 8.583 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -2.662 -0.429 8.332 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.637 1.587 7.267 1.00 0.00 C ATOM 0 H LEU A 76 -0.956 2.197 10.895 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.141 3.716 8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.127 1.326 10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.866 1.932 8.893 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.086 0.746 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.996 -1.056 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.867 -0.917 9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.597 -0.281 7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.988 0.928 6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.544 1.792 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.116 2.523 7.468 1.00 0.00 H new ATOM 1223 N PRO A 77 -4.189 4.838 9.749 1.00 0.00 N ATOM 1224 CA PRO A 77 -5.219 5.693 10.353 1.00 0.00 C ATOM 1225 C PRO A 77 -6.315 4.884 11.036 1.00 0.00 C ATOM 1226 O PRO A 77 -6.841 5.281 12.080 1.00 0.00 O ATOM 1227 CB PRO A 77 -5.799 6.474 9.162 1.00 0.00 C ATOM 1228 CG PRO A 77 -4.809 6.308 8.061 1.00 0.00 C ATOM 1229 CD PRO A 77 -4.163 4.972 8.285 1.00 0.00 C ATOM 0 HA PRO A 77 -4.802 6.332 11.132 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.775 6.084 8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.937 7.526 9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.298 6.347 7.087 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.068 7.108 8.078 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.714 4.169 7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.146 4.944 7.894 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.645 3.747 10.444 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.681 2.896 10.984 1.00 0.00 C ATOM 1239 C GLY A 78 -7.818 1.619 10.190 1.00 0.00 C ATOM 1240 O GLY A 78 -6.873 1.200 9.522 1.00 0.00 O ATOM 0 H GLY A 78 -6.209 3.397 9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.452 2.657 12.023 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.631 3.431 10.982 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.996 1.014 10.250 1.00 0.00 N ATOM 1245 CA GLU A 79 -9.258 -0.240 9.556 1.00 0.00 C ATOM 1246 C GLU A 79 -9.170 -0.071 8.042 1.00 0.00 C ATOM 1247 O GLU A 79 -8.501 -0.848 7.360 1.00 0.00 O ATOM 1248 CB GLU A 79 -10.642 -0.790 9.922 1.00 0.00 C ATOM 1249 CG GLU A 79 -10.825 -1.087 11.400 1.00 0.00 C ATOM 1250 CD GLU A 79 -11.364 0.088 12.189 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -10.593 1.014 12.502 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -12.568 0.075 12.525 1.00 0.00 O ATOM 0 H GLU A 79 -9.792 1.375 10.777 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.492 -0.946 9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.400 -0.071 9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.819 -1.704 9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.505 -1.932 11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.867 -1.390 11.823 1.00 0.00 H new ATOM 1259 N THR A 80 -9.843 0.939 7.519 1.00 0.00 N ATOM 1260 CA THR A 80 -9.916 1.128 6.082 1.00 0.00 C ATOM 1261 C THR A 80 -9.161 2.388 5.659 1.00 0.00 C ATOM 1262 O THR A 80 -9.224 3.426 6.327 1.00 0.00 O ATOM 1263 CB THR A 80 -11.390 1.187 5.608 1.00 0.00 C ATOM 1264 OG1 THR A 80 -11.464 1.234 4.179 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.111 2.391 6.187 1.00 0.00 C ATOM 0 H THR A 80 -10.345 1.638 8.066 1.00 0.00 H new ATOM 0 HA THR A 80 -9.440 0.271 5.605 1.00 0.00 H new ATOM 0 HB THR A 80 -11.879 0.281 5.966 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.339 1.583 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.142 2.402 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.100 2.333 7.275 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.609 3.304 5.868 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.420 2.277 4.567 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.670 3.399 4.024 1.00 0.00 C ATOM 1275 C PHE A 81 -7.441 3.198 2.528 1.00 0.00 C ATOM 1276 O PHE A 81 -7.698 2.119 1.992 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.331 3.576 4.762 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.437 2.366 4.727 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.637 1.314 5.608 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.394 2.284 3.820 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -4.817 0.204 5.582 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.570 1.176 3.788 1.00 0.00 C ATOM 1283 CZ PHE A 81 -3.782 0.135 4.670 1.00 0.00 C ATOM 0 H PHE A 81 -8.322 1.412 4.035 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.252 4.309 4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.797 4.420 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.534 3.832 5.802 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.444 1.364 6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.223 3.096 3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.984 -0.609 6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.761 1.124 3.074 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.139 -0.732 4.647 1.00 0.00 H new ATOM 1293 N ARG A 82 -6.966 4.232 1.853 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.778 4.169 0.411 1.00 0.00 C ATOM 1295 C ARG A 82 -5.364 4.596 0.045 1.00 0.00 C ATOM 1296 O ARG A 82 -4.873 5.616 0.534 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.798 5.070 -0.292 1.00 0.00 C ATOM 1298 CG ARG A 82 -9.242 4.745 0.057 1.00 0.00 C ATOM 1299 CD ARG A 82 -10.009 5.981 0.503 1.00 0.00 C ATOM 1300 NE ARG A 82 -9.417 6.602 1.693 1.00 0.00 N ATOM 1301 CZ ARG A 82 -10.124 7.184 2.664 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -11.446 7.212 2.606 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -9.507 7.743 3.699 1.00 0.00 N ATOM 0 H ARG A 82 -6.704 5.122 2.277 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.929 3.141 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.595 6.108 -0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.665 4.982 -1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.735 4.305 -0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.265 3.998 0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.030 6.706 -0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.043 5.708 0.714 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.401 6.588 1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.931 6.787 1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.980 7.659 3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.489 7.729 3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.052 8.187 4.439 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.706 3.810 -0.792 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.363 4.131 -1.247 1.00 0.00 C ATOM 1319 C LEU A 83 -3.392 4.536 -2.713 1.00 0.00 C ATOM 1320 O LEU A 83 -3.850 3.779 -3.567 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.427 2.935 -1.053 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.297 2.429 0.386 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.331 1.260 0.451 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.838 3.545 1.313 1.00 0.00 C ATOM 0 H LEU A 83 -5.082 2.941 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.987 4.964 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.779 2.115 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.436 3.209 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.279 2.091 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.250 0.912 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.698 0.449 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.350 1.578 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.753 3.162 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.868 3.916 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.564 4.358 1.291 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.918 5.731 -3.002 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.886 6.224 -4.366 1.00 0.00 C ATOM 1338 C TYR A 84 -1.510 6.012 -4.968 1.00 0.00 C ATOM 1339 O TYR A 84 -0.560 6.736 -4.659 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.274 7.703 -4.415 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.745 7.941 -4.167 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.649 7.923 -5.219 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.229 8.170 -2.886 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.996 8.128 -5.003 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.577 8.379 -2.662 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.454 8.355 -3.723 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.797 8.550 -3.507 1.00 0.00 O ATOM 0 H TYR A 84 -2.548 6.381 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.613 5.663 -4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.694 8.249 -3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.006 8.110 -5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.293 7.746 -6.223 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.542 8.185 -2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.688 8.111 -5.832 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.940 8.560 -1.661 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.312 7.958 -4.094 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.408 5.001 -5.812 1.00 0.00 N ATOM 1358 CA TYR A 85 -0.158 4.678 -6.468 1.00 0.00 C ATOM 1359 C TYR A 85 -0.038 5.467 -7.762 1.00 0.00 C ATOM 1360 O TYR A 85 -0.676 5.141 -8.766 1.00 0.00 O ATOM 1361 CB TYR A 85 -0.076 3.173 -6.747 1.00 0.00 C ATOM 1362 CG TYR A 85 1.258 2.725 -7.307 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.366 2.594 -6.480 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.406 2.431 -8.655 1.00 0.00 C ATOM 1365 CE1 TYR A 85 3.586 2.184 -6.984 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.622 2.019 -9.168 1.00 0.00 C ATOM 1367 CZ TYR A 85 3.708 1.897 -8.328 1.00 0.00 C ATOM 1368 OH TYR A 85 4.921 1.483 -8.829 1.00 0.00 O ATOM 0 H TYR A 85 -2.184 4.386 -6.059 1.00 0.00 H new ATOM 0 HA TYR A 85 0.669 4.949 -5.812 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.271 2.631 -5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.864 2.900 -7.449 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.273 2.816 -5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.556 2.526 -9.315 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.439 2.089 -6.329 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.720 1.794 -10.220 1.00 0.00 H new ATOM 0 HH TYR A 85 5.040 1.840 -9.734 1.00 0.00 H new ATOM 1378 N THR A 86 0.749 6.524 -7.723 1.00 0.00 N ATOM 1379 CA THR A 86 0.962 7.350 -8.892 1.00 0.00 C ATOM 1380 C THR A 86 2.140 6.812 -9.693 1.00 0.00 C ATOM 1381 O THR A 86 3.290 6.864 -9.242 1.00 0.00 O ATOM 1382 CB THR A 86 1.232 8.810 -8.488 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.268 9.219 -7.509 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.153 9.730 -9.697 1.00 0.00 C ATOM 0 H THR A 86 1.253 6.831 -6.891 1.00 0.00 H new ATOM 0 HA THR A 86 0.060 7.322 -9.504 1.00 0.00 H new ATOM 0 HB THR A 86 2.237 8.876 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.440 10.148 -7.249 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.347 10.757 -9.386 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.897 9.427 -10.434 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.158 9.667 -10.138 1.00 0.00 H new ATOM 1392 N SER A 87 1.850 6.266 -10.862 1.00 0.00 N ATOM 1393 CA SER A 87 2.878 5.696 -11.708 1.00 0.00 C ATOM 1394 C SER A 87 3.716 6.795 -12.356 1.00 0.00 C ATOM 1395 O SER A 87 3.248 7.516 -13.239 1.00 0.00 O ATOM 1396 CB SER A 87 2.238 4.809 -12.773 1.00 0.00 C ATOM 1397 OG SER A 87 1.441 3.799 -12.175 1.00 0.00 O ATOM 0 H SER A 87 0.907 6.207 -11.245 1.00 0.00 H new ATOM 0 HA SER A 87 3.541 5.087 -11.093 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.624 5.417 -13.438 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.014 4.351 -13.386 1.00 0.00 H new ATOM 0 HG SER A 87 1.914 3.424 -11.403 1.00 0.00 H new ATOM 1403 N ALA A 88 4.951 6.931 -11.893 1.00 0.00 N ATOM 1404 CA ALA A 88 5.886 7.888 -12.466 1.00 0.00 C ATOM 1405 C ALA A 88 6.717 7.212 -13.546 1.00 0.00 C ATOM 1406 O ALA A 88 7.656 7.791 -14.091 1.00 0.00 O ATOM 1407 CB ALA A 88 6.783 8.468 -11.381 1.00 0.00 C ATOM 0 H ALA A 88 5.330 6.387 -11.118 1.00 0.00 H new ATOM 0 HA ALA A 88 5.326 8.707 -12.916 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.477 9.182 -11.825 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.171 8.974 -10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.345 7.664 -10.905 1.00 0.00 H new ATOM 1413 N SER A 89 6.350 5.976 -13.838 1.00 0.00 N ATOM 1414 CA SER A 89 7.020 5.174 -14.839 1.00 0.00 C ATOM 1415 C SER A 89 6.057 4.117 -15.362 1.00 0.00 C ATOM 1416 O SER A 89 5.059 3.806 -14.707 1.00 0.00 O ATOM 1417 CB SER A 89 8.261 4.510 -14.235 1.00 0.00 C ATOM 1418 OG SER A 89 8.925 3.696 -15.183 1.00 0.00 O ATOM 0 H SER A 89 5.572 5.500 -13.382 1.00 0.00 H new ATOM 0 HA SER A 89 7.337 5.811 -15.664 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.944 5.277 -13.870 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.970 3.906 -13.375 1.00 0.00 H new ATOM 0 HG SER A 89 9.713 3.288 -14.768 1.00 0.00 H new ATOM 1424 N THR A 90 6.340 3.588 -16.540 1.00 0.00 N ATOM 1425 CA THR A 90 5.539 2.519 -17.101 1.00 0.00 C ATOM 1426 C THR A 90 6.402 1.274 -17.295 1.00 0.00 C ATOM 1427 O THR A 90 5.979 0.289 -17.906 1.00 0.00 O ATOM 1428 CB THR A 90 4.887 2.942 -18.439 1.00 0.00 C ATOM 1429 OG1 THR A 90 3.919 1.970 -18.850 1.00 0.00 O ATOM 1430 CG2 THR A 90 5.928 3.118 -19.537 1.00 0.00 C ATOM 0 H THR A 90 7.121 3.884 -17.126 1.00 0.00 H new ATOM 0 HA THR A 90 4.734 2.292 -16.402 1.00 0.00 H new ATOM 0 HB THR A 90 4.395 3.901 -18.275 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.267 1.070 -18.680 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.434 3.415 -20.462 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.641 3.888 -19.242 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.455 2.177 -19.693 1.00 0.00 H new ATOM 1438 N ASP A 91 7.612 1.330 -16.748 1.00 0.00 N ATOM 1439 CA ASP A 91 8.561 0.224 -16.829 1.00 0.00 C ATOM 1440 C ASP A 91 8.267 -0.801 -15.741 1.00 0.00 C ATOM 1441 O ASP A 91 7.214 -0.757 -15.102 1.00 0.00 O ATOM 1442 CB ASP A 91 9.999 0.737 -16.675 1.00 0.00 C ATOM 1443 CG ASP A 91 10.434 1.643 -17.810 1.00 0.00 C ATOM 1444 OD1 ASP A 91 10.112 2.852 -17.779 1.00 0.00 O ATOM 1445 OD2 ASP A 91 11.114 1.160 -18.737 1.00 0.00 O ATOM 0 H ASP A 91 7.962 2.141 -16.237 1.00 0.00 H new ATOM 0 HA ASP A 91 8.455 -0.247 -17.806 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.086 1.278 -15.733 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.677 -0.114 -16.618 1.00 0.00 H new ATOM 1450 N GLN A 92 9.201 -1.722 -15.535 1.00 0.00 N ATOM 1451 CA GLN A 92 9.052 -2.733 -14.502 1.00 0.00 C ATOM 1452 C GLN A 92 9.255 -2.092 -13.134 1.00 0.00 C ATOM 1453 O GLN A 92 10.337 -1.588 -12.820 1.00 0.00 O ATOM 1454 CB GLN A 92 10.050 -3.879 -14.720 1.00 0.00 C ATOM 1455 CG GLN A 92 9.575 -5.228 -14.183 1.00 0.00 C ATOM 1456 CD GLN A 92 9.505 -5.297 -12.669 1.00 0.00 C ATOM 1457 OE1 GLN A 92 10.287 -4.664 -11.961 1.00 0.00 O ATOM 1458 NE2 GLN A 92 8.561 -6.067 -12.155 1.00 0.00 N ATOM 0 H GLN A 92 10.067 -1.787 -16.070 1.00 0.00 H new ATOM 0 HA GLN A 92 8.047 -3.152 -14.553 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.250 -3.975 -15.787 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.994 -3.621 -14.240 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.588 -5.444 -14.593 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.247 -6.008 -14.542 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.929 -6.579 -12.771 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.465 -6.149 -11.143 1.00 0.00 H new ATOM 1467 N GLN A 93 8.199 -2.093 -12.344 1.00 0.00 N ATOM 1468 CA GLN A 93 8.230 -1.523 -11.009 1.00 0.00 C ATOM 1469 C GLN A 93 7.626 -2.494 -10.001 1.00 0.00 C ATOM 1470 O GLN A 93 6.444 -2.841 -10.077 1.00 0.00 O ATOM 1471 CB GLN A 93 7.499 -0.173 -11.005 1.00 0.00 C ATOM 1472 CG GLN A 93 6.204 -0.181 -11.803 1.00 0.00 C ATOM 1473 CD GLN A 93 5.673 1.212 -12.090 1.00 0.00 C ATOM 1474 OE1 GLN A 93 5.851 2.140 -11.300 1.00 0.00 O ATOM 1475 NE2 GLN A 93 5.032 1.367 -13.236 1.00 0.00 N ATOM 0 H GLN A 93 7.296 -2.488 -12.608 1.00 0.00 H new ATOM 0 HA GLN A 93 9.265 -1.349 -10.713 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.280 0.109 -9.975 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.162 0.591 -11.411 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.369 -0.702 -12.746 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.450 -0.745 -11.255 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.906 0.571 -13.862 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.663 2.282 -13.494 1.00 0.00 H new ATOM 1484 N THR A 94 8.457 -2.959 -9.081 1.00 0.00 N ATOM 1485 CA THR A 94 8.034 -3.930 -8.087 1.00 0.00 C ATOM 1486 C THR A 94 8.066 -3.322 -6.689 1.00 0.00 C ATOM 1487 O THR A 94 9.093 -2.798 -6.256 1.00 0.00 O ATOM 1488 CB THR A 94 8.944 -5.174 -8.119 1.00 0.00 C ATOM 1489 OG1 THR A 94 9.041 -5.668 -9.460 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.408 -6.269 -7.211 1.00 0.00 C ATOM 0 H THR A 94 9.434 -2.677 -9.003 1.00 0.00 H new ATOM 0 HA THR A 94 7.012 -4.225 -8.327 1.00 0.00 H new ATOM 0 HB THR A 94 9.931 -4.883 -7.760 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.571 -5.045 -10.000 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.070 -7.134 -7.254 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.359 -5.900 -6.186 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.410 -6.559 -7.541 1.00 0.00 H new ATOM 1498 N VAL A 95 6.939 -3.385 -5.993 1.00 0.00 N ATOM 1499 CA VAL A 95 6.842 -2.862 -4.639 1.00 0.00 C ATOM 1500 C VAL A 95 6.252 -3.914 -3.703 1.00 0.00 C ATOM 1501 O VAL A 95 5.108 -4.344 -3.880 1.00 0.00 O ATOM 1502 CB VAL A 95 5.963 -1.588 -4.577 1.00 0.00 C ATOM 1503 CG1 VAL A 95 5.980 -0.988 -3.178 1.00 0.00 C ATOM 1504 CG2 VAL A 95 6.412 -0.561 -5.607 1.00 0.00 C ATOM 0 H VAL A 95 6.075 -3.796 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 95 7.853 -2.604 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 95 4.939 -1.877 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.356 -0.094 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.594 -1.716 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.002 -0.723 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.777 0.323 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.447 -0.280 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 95 6.334 -0.990 -6.606 1.00 0.00 H new ATOM 1514 N ASP A 96 7.035 -4.343 -2.728 1.00 0.00 N ATOM 1515 CA ASP A 96 6.548 -5.270 -1.717 1.00 0.00 C ATOM 1516 C ASP A 96 5.986 -4.495 -0.540 1.00 0.00 C ATOM 1517 O ASP A 96 6.726 -3.842 0.197 1.00 0.00 O ATOM 1518 CB ASP A 96 7.667 -6.194 -1.233 1.00 0.00 C ATOM 1519 CG ASP A 96 8.100 -7.209 -2.271 1.00 0.00 C ATOM 1520 OD1 ASP A 96 8.992 -6.893 -3.083 1.00 0.00 O ATOM 1521 OD2 ASP A 96 7.564 -8.341 -2.261 1.00 0.00 O ATOM 0 H ASP A 96 8.010 -4.065 -2.614 1.00 0.00 H new ATOM 0 HA ASP A 96 5.765 -5.882 -2.165 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.528 -5.590 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.333 -6.720 -0.339 1.00 0.00 H new ATOM 1526 N VAL A 97 4.680 -4.561 -0.364 1.00 0.00 N ATOM 1527 CA VAL A 97 4.031 -3.835 0.709 1.00 0.00 C ATOM 1528 C VAL A 97 3.806 -4.746 1.907 1.00 0.00 C ATOM 1529 O VAL A 97 3.029 -5.701 1.845 1.00 0.00 O ATOM 1530 CB VAL A 97 2.691 -3.224 0.255 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.060 -2.409 1.374 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.892 -2.363 -0.981 1.00 0.00 C ATOM 0 H VAL A 97 4.049 -5.109 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 97 4.693 -3.018 0.997 1.00 0.00 H new ATOM 0 HB VAL A 97 2.013 -4.040 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.115 -1.988 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.878 -3.053 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.734 -1.602 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.936 -1.939 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.590 -1.557 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.294 -2.974 -1.789 1.00 0.00 H new ATOM 1542 N TYR A 98 4.505 -4.453 2.987 1.00 0.00 N ATOM 1543 CA TYR A 98 4.421 -5.246 4.198 1.00 0.00 C ATOM 1544 C TYR A 98 3.535 -4.556 5.223 1.00 0.00 C ATOM 1545 O TYR A 98 3.714 -3.370 5.520 1.00 0.00 O ATOM 1546 CB TYR A 98 5.813 -5.464 4.799 1.00 0.00 C ATOM 1547 CG TYR A 98 6.811 -6.094 3.851 1.00 0.00 C ATOM 1548 CD1 TYR A 98 6.907 -7.473 3.727 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.665 -5.305 3.091 1.00 0.00 C ATOM 1550 CE1 TYR A 98 7.825 -8.050 2.871 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.587 -5.875 2.235 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.664 -7.245 2.129 1.00 0.00 C ATOM 1553 OH TYR A 98 9.588 -7.810 1.281 1.00 0.00 O ATOM 0 H TYR A 98 5.145 -3.661 3.050 1.00 0.00 H new ATOM 0 HA TYR A 98 3.989 -6.212 3.938 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.205 -4.504 5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.719 -6.096 5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.253 -8.105 4.309 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.607 -4.229 3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.885 -9.125 2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.245 -5.248 1.651 1.00 0.00 H new ATOM 0 HH TYR A 98 10.097 -7.102 0.834 1.00 0.00 H new ATOM 1563 N PHE A 99 2.588 -5.300 5.758 1.00 0.00 N ATOM 1564 CA PHE A 99 1.728 -4.811 6.818 1.00 0.00 C ATOM 1565 C PHE A 99 2.083 -5.528 8.105 1.00 0.00 C ATOM 1566 O PHE A 99 1.885 -6.738 8.224 1.00 0.00 O ATOM 1567 CB PHE A 99 0.256 -5.056 6.483 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.234 -4.302 5.281 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.776 -3.035 5.418 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.160 -4.863 4.015 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -1.234 -2.340 4.317 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.619 -4.173 2.911 1.00 0.00 C ATOM 1573 CZ PHE A 99 -1.156 -2.909 3.062 1.00 0.00 C ATOM 0 H PHE A 99 2.393 -6.259 5.471 1.00 0.00 H new ATOM 0 HA PHE A 99 1.877 -3.737 6.930 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.106 -6.122 6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.352 -4.780 7.344 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.841 -2.585 6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.261 -5.850 3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.653 -1.352 4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.558 -4.621 1.930 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.514 -2.367 2.199 1.00 0.00 H new ATOM 1583 N GLN A 100 2.628 -4.797 9.057 1.00 0.00 N ATOM 1584 CA GLN A 100 3.069 -5.400 10.299 1.00 0.00 C ATOM 1585 C GLN A 100 2.159 -5.001 11.450 1.00 0.00 C ATOM 1586 O GLN A 100 1.861 -3.820 11.660 1.00 0.00 O ATOM 1587 CB GLN A 100 4.525 -5.035 10.595 1.00 0.00 C ATOM 1588 CG GLN A 100 4.792 -3.546 10.613 1.00 0.00 C ATOM 1589 CD GLN A 100 6.272 -3.232 10.650 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.866 -3.108 11.717 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.881 -3.111 9.480 1.00 0.00 N ATOM 0 H GLN A 100 2.776 -3.790 8.995 1.00 0.00 H new ATOM 0 HA GLN A 100 3.011 -6.483 10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.806 -5.456 11.560 1.00 0.00 H new ATOM 0 HB3 GLN A 100 5.166 -5.500 9.846 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.347 -3.088 9.730 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.306 -3.102 11.482 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.351 -3.221 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.880 -2.907 9.444 1.00 0.00 H new ATOM 1600 N ASP A 101 1.710 -6.006 12.169 1.00 0.00 N ATOM 1601 CA ASP A 101 0.821 -5.826 13.303 1.00 0.00 C ATOM 1602 C ASP A 101 1.636 -5.484 14.549 1.00 0.00 C ATOM 1603 O ASP A 101 2.863 -5.622 14.554 1.00 0.00 O ATOM 1604 CB ASP A 101 0.019 -7.115 13.523 1.00 0.00 C ATOM 1605 CG ASP A 101 -1.162 -6.939 14.459 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -0.939 -6.836 15.679 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -2.307 -6.924 13.974 1.00 0.00 O ATOM 0 H ASP A 101 1.951 -6.980 11.984 1.00 0.00 H new ATOM 0 HA ASP A 101 0.131 -5.006 13.106 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.341 -7.479 12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.681 -7.881 13.926 1.00 0.00 H new ATOM 1612 N SER A 102 0.961 -5.060 15.604 1.00 0.00 N ATOM 1613 CA SER A 102 1.619 -4.701 16.850 1.00 0.00 C ATOM 1614 C SER A 102 2.070 -5.962 17.593 1.00 0.00 C ATOM 1615 O SER A 102 2.935 -5.901 18.467 1.00 0.00 O ATOM 1616 CB SER A 102 0.669 -3.867 17.718 1.00 0.00 C ATOM 1617 OG SER A 102 1.336 -3.300 18.836 1.00 0.00 O ATOM 0 H SER A 102 -0.053 -4.955 15.622 1.00 0.00 H new ATOM 0 HA SER A 102 2.503 -4.103 16.629 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.230 -3.072 17.115 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.152 -4.495 18.065 1.00 0.00 H new ATOM 0 HG SER A 102 0.700 -2.775 19.365 1.00 0.00 H new ATOM 1623 N PHE A 103 1.489 -7.105 17.226 1.00 0.00 N ATOM 1624 CA PHE A 103 1.887 -8.389 17.805 1.00 0.00 C ATOM 1625 C PHE A 103 3.169 -8.900 17.156 1.00 0.00 C ATOM 1626 O PHE A 103 3.815 -9.815 17.669 1.00 0.00 O ATOM 1627 CB PHE A 103 0.790 -9.446 17.616 1.00 0.00 C ATOM 1628 CG PHE A 103 -0.517 -9.123 18.284 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -0.604 -9.022 19.662 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -1.662 -8.935 17.530 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -1.809 -8.739 20.274 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -2.868 -8.649 18.134 1.00 0.00 C ATOM 1633 CZ PHE A 103 -2.941 -8.552 19.508 1.00 0.00 C ATOM 0 H PHE A 103 0.744 -7.168 16.533 1.00 0.00 H new ATOM 0 HA PHE A 103 2.052 -8.224 18.870 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.613 -9.579 16.549 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.153 -10.399 18.001 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.280 -9.166 20.265 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.610 -9.013 16.454 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.865 -8.664 21.350 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.753 -8.501 17.533 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.884 -8.330 19.984 1.00 0.00 H new ATOM 1643 N GLY A 104 3.537 -8.305 16.027 1.00 0.00 N ATOM 1644 CA GLY A 104 4.684 -8.782 15.275 1.00 0.00 C ATOM 1645 C GLY A 104 4.264 -9.608 14.078 1.00 0.00 C ATOM 1646 O GLY A 104 5.098 -10.176 13.374 1.00 0.00 O ATOM 0 H GLY A 104 3.062 -7.500 15.618 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.279 -7.932 14.940 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.322 -9.381 15.925 1.00 0.00 H new ATOM 1650 N GLN A 105 2.958 -9.677 13.861 1.00 0.00 N ATOM 1651 CA GLN A 105 2.391 -10.391 12.726 1.00 0.00 C ATOM 1652 C GLN A 105 2.726 -9.644 11.439 1.00 0.00 C ATOM 1653 O GLN A 105 2.409 -8.465 11.300 1.00 0.00 O ATOM 1654 CB GLN A 105 0.873 -10.525 12.931 1.00 0.00 C ATOM 1655 CG GLN A 105 0.133 -11.354 11.887 1.00 0.00 C ATOM 1656 CD GLN A 105 -0.321 -10.540 10.689 1.00 0.00 C ATOM 1657 OE1 GLN A 105 0.361 -10.474 9.674 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -1.470 -9.892 10.815 1.00 0.00 N ATOM 0 H GLN A 105 2.263 -9.240 14.466 1.00 0.00 H new ATOM 0 HA GLN A 105 2.815 -11.392 12.648 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.695 -10.967 13.911 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.438 -9.526 12.949 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.783 -12.160 11.545 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.736 -11.820 12.352 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.009 -9.973 11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.815 -9.312 10.050 1.00 0.00 H new ATOM 1667 N LEU A 106 3.384 -10.324 10.513 1.00 0.00 N ATOM 1668 CA LEU A 106 3.840 -9.689 9.285 1.00 0.00 C ATOM 1669 C LEU A 106 3.099 -10.263 8.080 1.00 0.00 C ATOM 1670 O LEU A 106 3.217 -11.449 7.773 1.00 0.00 O ATOM 1671 CB LEU A 106 5.361 -9.885 9.140 1.00 0.00 C ATOM 1672 CG LEU A 106 6.082 -9.006 8.098 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.764 -9.446 6.676 1.00 0.00 C ATOM 1674 CD2 LEU A 106 5.722 -7.542 8.295 1.00 0.00 C ATOM 0 H LEU A 106 3.614 -11.315 10.588 1.00 0.00 H new ATOM 0 HA LEU A 106 3.625 -8.621 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.820 -9.705 10.112 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.546 -10.929 8.889 1.00 0.00 H new ATOM 0 HG LEU A 106 7.155 -9.128 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.290 -8.803 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.084 -10.478 6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.690 -9.372 6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.240 -6.937 7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.646 -7.414 8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.022 -7.225 9.294 1.00 0.00 H new ATOM 1686 N GLN A 107 2.339 -9.411 7.408 1.00 0.00 N ATOM 1687 CA GLN A 107 1.662 -9.784 6.176 1.00 0.00 C ATOM 1688 C GLN A 107 2.313 -9.047 5.011 1.00 0.00 C ATOM 1689 O GLN A 107 2.777 -7.920 5.171 1.00 0.00 O ATOM 1690 CB GLN A 107 0.166 -9.449 6.268 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.634 -9.807 5.021 1.00 0.00 C ATOM 1692 CD GLN A 107 -0.511 -11.270 4.639 1.00 0.00 C ATOM 1693 OE1 GLN A 107 0.369 -11.650 3.867 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -1.395 -12.099 5.169 1.00 0.00 N ATOM 0 H GLN A 107 2.175 -8.447 7.699 1.00 0.00 H new ATOM 0 HA GLN A 107 1.753 -10.858 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.260 -9.975 7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.056 -8.382 6.463 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.684 -9.568 5.188 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.295 -9.190 4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.109 -11.744 5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -1.362 -13.093 4.942 1.00 0.00 H new ATOM 1703 N GLN A 108 2.364 -9.676 3.851 1.00 0.00 N ATOM 1704 CA GLN A 108 3.039 -9.089 2.707 1.00 0.00 C ATOM 1705 C GLN A 108 2.187 -9.184 1.448 1.00 0.00 C ATOM 1706 O GLN A 108 1.563 -10.212 1.182 1.00 0.00 O ATOM 1707 CB GLN A 108 4.400 -9.763 2.494 1.00 0.00 C ATOM 1708 CG GLN A 108 4.336 -11.282 2.372 1.00 0.00 C ATOM 1709 CD GLN A 108 4.559 -11.772 0.953 1.00 0.00 C ATOM 1710 OE1 GLN A 108 5.688 -12.048 0.551 1.00 0.00 O ATOM 1711 NE2 GLN A 108 3.491 -11.877 0.182 1.00 0.00 N ATOM 0 H GLN A 108 1.948 -10.591 3.676 1.00 0.00 H new ATOM 0 HA GLN A 108 3.199 -8.031 2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.856 -9.357 1.591 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.055 -9.504 3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.087 -11.726 3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.364 -11.629 2.722 1.00 0.00 H new ATOM 0 HE21 GLN A 108 2.570 -11.639 0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.587 -12.196 -0.782 1.00 0.00 H new ATOM 1720 N LEU A 109 2.148 -8.094 0.696 1.00 0.00 N ATOM 1721 CA LEU A 109 1.471 -8.056 -0.594 1.00 0.00 C ATOM 1722 C LEU A 109 2.424 -7.492 -1.642 1.00 0.00 C ATOM 1723 O LEU A 109 2.798 -6.318 -1.585 1.00 0.00 O ATOM 1724 CB LEU A 109 0.206 -7.192 -0.518 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.813 -7.592 0.558 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.958 -6.594 0.604 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -1.355 -8.994 0.310 1.00 0.00 C ATOM 0 H LEU A 109 2.584 -7.211 0.962 1.00 0.00 H new ATOM 0 HA LEU A 109 1.175 -9.068 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.505 -6.159 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.289 -7.220 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.299 -7.589 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.671 -6.893 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.568 -5.603 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.458 -6.569 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.074 -9.249 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.846 -9.028 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.533 -9.710 0.327 1.00 0.00 H new ATOM 1739 N THR A 110 2.830 -8.329 -2.582 1.00 0.00 N ATOM 1740 CA THR A 110 3.795 -7.926 -3.594 1.00 0.00 C ATOM 1741 C THR A 110 3.094 -7.401 -4.841 1.00 0.00 C ATOM 1742 O THR A 110 2.327 -8.118 -5.487 1.00 0.00 O ATOM 1743 CB THR A 110 4.717 -9.102 -3.985 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.333 -9.654 -2.812 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.794 -8.651 -4.964 1.00 0.00 C ATOM 0 H THR A 110 2.507 -9.293 -2.666 1.00 0.00 H new ATOM 0 HA THR A 110 4.400 -7.129 -3.162 1.00 0.00 H new ATOM 0 HB THR A 110 4.106 -9.864 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.268 -9.364 -2.766 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.429 -9.499 -5.222 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.325 -8.261 -5.867 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.400 -7.871 -4.504 1.00 0.00 H new ATOM 1753 N PHE A 111 3.352 -6.144 -5.170 1.00 0.00 N ATOM 1754 CA PHE A 111 2.805 -5.545 -6.375 1.00 0.00 C ATOM 1755 C PHE A 111 3.889 -5.434 -7.436 1.00 0.00 C ATOM 1756 O PHE A 111 4.904 -4.773 -7.229 1.00 0.00 O ATOM 1757 CB PHE A 111 2.221 -4.163 -6.072 1.00 0.00 C ATOM 1758 CG PHE A 111 1.059 -4.195 -5.119 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.209 -4.537 -5.563 1.00 0.00 C ATOM 1760 CD2 PHE A 111 1.234 -3.879 -3.783 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.280 -4.565 -4.690 1.00 0.00 C ATOM 1762 CE2 PHE A 111 0.167 -3.905 -2.904 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.091 -4.248 -3.359 1.00 0.00 C ATOM 0 H PHE A 111 3.938 -5.519 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 111 2.004 -6.183 -6.748 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.005 -3.530 -5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.901 -3.700 -7.006 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.362 -4.784 -6.603 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.216 -3.609 -3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.263 -4.834 -5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.317 -3.658 -1.864 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.926 -4.268 -2.675 1.00 0.00 H new ATOM 1773 N SER A 112 3.684 -6.096 -8.559 1.00 0.00 N ATOM 1774 CA SER A 112 4.649 -6.068 -9.643 1.00 0.00 C ATOM 1775 C SER A 112 3.999 -5.555 -10.923 1.00 0.00 C ATOM 1776 O SER A 112 3.129 -6.212 -11.497 1.00 0.00 O ATOM 1777 CB SER A 112 5.221 -7.466 -9.856 1.00 0.00 C ATOM 1778 OG SER A 112 5.731 -7.984 -8.639 1.00 0.00 O ATOM 0 H SER A 112 2.856 -6.661 -8.745 1.00 0.00 H new ATOM 0 HA SER A 112 5.460 -5.389 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.446 -8.127 -10.243 1.00 0.00 H new ATOM 0 HB3 SER A 112 6.013 -7.431 -10.604 1.00 0.00 H new ATOM 0 HG SER A 112 6.093 -8.882 -8.792 1.00 0.00 H new ATOM 1784 N PHE A 113 4.413 -4.372 -11.353 1.00 0.00 N ATOM 1785 CA PHE A 113 3.840 -3.746 -12.534 1.00 0.00 C ATOM 1786 C PHE A 113 4.848 -3.729 -13.673 1.00 0.00 C ATOM 1787 O PHE A 113 5.970 -3.252 -13.505 1.00 0.00 O ATOM 1788 CB PHE A 113 3.411 -2.310 -12.227 1.00 0.00 C ATOM 1789 CG PHE A 113 2.463 -2.184 -11.068 1.00 0.00 C ATOM 1790 CD1 PHE A 113 1.107 -2.393 -11.241 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.932 -1.843 -9.808 1.00 0.00 C ATOM 1792 CE1 PHE A 113 0.233 -2.267 -10.179 1.00 0.00 C ATOM 1793 CE2 PHE A 113 2.062 -1.718 -8.743 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.709 -1.930 -8.928 1.00 0.00 C ATOM 0 H PHE A 113 5.146 -3.826 -10.900 1.00 0.00 H new ATOM 0 HA PHE A 113 2.968 -4.329 -12.830 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.300 -1.713 -12.021 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.941 -1.886 -13.114 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.727 -2.658 -12.217 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.988 -1.674 -9.658 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.824 -2.432 -10.328 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.439 -1.455 -7.766 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.027 -1.832 -8.097 1.00 0.00 H new ATOM 1804 N ASN A 114 4.454 -4.259 -14.822 1.00 0.00 N ATOM 1805 CA ASN A 114 5.289 -4.203 -16.016 1.00 0.00 C ATOM 1806 C ASN A 114 4.432 -4.296 -17.273 1.00 0.00 C ATOM 1807 O ASN A 114 4.028 -5.385 -17.683 1.00 0.00 O ATOM 1808 CB ASN A 114 6.324 -5.333 -16.010 1.00 0.00 C ATOM 1809 CG ASN A 114 7.276 -5.255 -17.191 1.00 0.00 C ATOM 1810 OD1 ASN A 114 7.572 -4.175 -17.698 1.00 0.00 O ATOM 1811 ND2 ASN A 114 7.760 -6.404 -17.637 1.00 0.00 N ATOM 0 H ASN A 114 3.561 -4.733 -14.954 1.00 0.00 H new ATOM 0 HA ASN A 114 5.814 -3.248 -16.014 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.896 -5.293 -15.083 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.809 -6.293 -16.025 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.403 -6.414 -18.429 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.490 -7.280 -17.189 1.00 0.00 H new ATOM 1818 N ASN A 115 4.146 -3.154 -17.883 1.00 0.00 N ATOM 1819 CA ASN A 115 3.323 -3.131 -19.083 1.00 0.00 C ATOM 1820 C ASN A 115 4.093 -2.499 -20.238 1.00 0.00 C ATOM 1821 O ASN A 115 4.587 -1.374 -20.139 1.00 0.00 O ATOM 1822 CB ASN A 115 1.986 -2.408 -18.830 1.00 0.00 C ATOM 1823 CG ASN A 115 2.116 -0.906 -18.635 1.00 0.00 C ATOM 1824 OD1 ASN A 115 1.956 -0.128 -19.577 1.00 0.00 O ATOM 1825 ND2 ASN A 115 2.395 -0.487 -17.410 1.00 0.00 N ATOM 0 H ASN A 115 4.469 -2.239 -17.570 1.00 0.00 H new ATOM 0 HA ASN A 115 3.083 -4.158 -19.357 1.00 0.00 H new ATOM 0 HB2 ASN A 115 1.319 -2.597 -19.671 1.00 0.00 H new ATOM 0 HB3 ASN A 115 1.515 -2.838 -17.946 1.00 0.00 H new ATOM 0 HD21 ASN A 115 2.484 0.511 -17.220 1.00 0.00 H new ATOM 0 HD22 ASN A 115 2.520 -1.163 -16.656 1.00 0.00 H new ATOM 1832 N ASP A 116 4.210 -3.255 -21.322 1.00 0.00 N ATOM 1833 CA ASP A 116 5.014 -2.856 -22.474 1.00 0.00 C ATOM 1834 C ASP A 116 4.460 -1.598 -23.121 1.00 0.00 C ATOM 1835 O ASP A 116 3.288 -1.544 -23.495 1.00 0.00 O ATOM 1836 CB ASP A 116 5.058 -3.992 -23.501 1.00 0.00 C ATOM 1837 CG ASP A 116 5.598 -5.281 -22.914 1.00 0.00 C ATOM 1838 OD1 ASP A 116 4.807 -6.034 -22.301 1.00 0.00 O ATOM 1839 OD2 ASP A 116 6.810 -5.551 -23.059 1.00 0.00 O ATOM 0 H ASP A 116 3.752 -4.160 -21.429 1.00 0.00 H new ATOM 0 HA ASP A 116 6.024 -2.643 -22.124 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.055 -4.165 -23.890 1.00 0.00 H new ATOM 0 HB3 ASP A 116 5.680 -3.692 -24.345 1.00 0.00 H new ATOM 1844 N SER A 117 5.303 -0.583 -23.231 1.00 0.00 N ATOM 1845 CA SER A 117 4.909 0.682 -23.826 1.00 0.00 C ATOM 1846 C SER A 117 6.015 1.226 -24.728 1.00 0.00 C ATOM 1847 O SER A 117 7.092 0.629 -24.828 1.00 0.00 O ATOM 1848 CB SER A 117 4.584 1.692 -22.727 1.00 0.00 C ATOM 1849 OG SER A 117 3.620 1.169 -21.831 1.00 0.00 O ATOM 0 H SER A 117 6.272 -0.613 -22.913 1.00 0.00 H new ATOM 0 HA SER A 117 4.022 0.516 -24.437 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.493 1.948 -22.182 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.210 2.614 -23.173 1.00 0.00 H new ATOM 0 HG SER A 117 3.812 1.484 -20.923 1.00 0.00 H new ATOM 1855 N SER A 118 5.730 2.357 -25.382 1.00 0.00 N ATOM 1856 CA SER A 118 6.676 3.065 -26.254 1.00 0.00 C ATOM 1857 C SER A 118 7.244 2.175 -27.365 1.00 0.00 C ATOM 1858 O SER A 118 8.323 2.441 -27.893 1.00 0.00 O ATOM 1859 CB SER A 118 7.802 3.725 -25.435 1.00 0.00 C ATOM 1860 OG SER A 118 8.466 2.807 -24.577 1.00 0.00 O ATOM 0 H SER A 118 4.821 2.815 -25.320 1.00 0.00 H new ATOM 0 HA SER A 118 6.109 3.852 -26.751 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.528 4.170 -26.116 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.385 4.536 -24.839 1.00 0.00 H new ATOM 0 HG SER A 118 8.230 1.891 -24.833 1.00 0.00 H new ATOM 1866 N LYS A 119 6.505 1.138 -27.743 1.00 0.00 N ATOM 1867 CA LYS A 119 6.930 0.282 -28.844 1.00 0.00 C ATOM 1868 C LYS A 119 6.356 0.779 -30.162 1.00 0.00 C ATOM 1869 O LYS A 119 5.243 0.404 -30.544 1.00 0.00 O ATOM 1870 CB LYS A 119 6.522 -1.178 -28.619 1.00 0.00 C ATOM 1871 CG LYS A 119 6.911 -2.099 -29.772 1.00 0.00 C ATOM 1872 CD LYS A 119 6.473 -3.534 -29.533 1.00 0.00 C ATOM 1873 CE LYS A 119 6.729 -4.397 -30.760 1.00 0.00 C ATOM 1874 NZ LYS A 119 8.167 -4.428 -31.141 1.00 0.00 N ATOM 0 H LYS A 119 5.621 0.872 -27.310 1.00 0.00 H new ATOM 0 HA LYS A 119 8.018 0.327 -28.885 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.986 -1.540 -27.702 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.443 -1.228 -28.472 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.461 -1.733 -30.695 1.00 0.00 H new ATOM 0 HG3 LYS A 119 7.992 -2.069 -29.910 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.011 -3.944 -28.678 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.412 -3.557 -29.283 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.386 -5.413 -30.565 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.142 -4.018 -31.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.312 -5.131 -31.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.456 -3.489 -31.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.740 -4.685 -30.312 1.00 0.00 H new ATOM 1888 N GLU A 120 7.107 1.655 -30.825 1.00 0.00 N ATOM 1889 CA GLU A 120 6.766 2.132 -32.165 1.00 0.00 C ATOM 1890 C GLU A 120 5.333 2.671 -32.217 1.00 0.00 C ATOM 1891 O GLU A 120 4.552 2.318 -33.103 1.00 0.00 O ATOM 1892 CB GLU A 120 6.942 0.998 -33.175 1.00 0.00 C ATOM 1893 CG GLU A 120 6.997 1.465 -34.618 1.00 0.00 C ATOM 1894 CD GLU A 120 6.913 0.315 -35.590 1.00 0.00 C ATOM 1895 OE1 GLU A 120 7.754 -0.601 -35.509 1.00 0.00 O ATOM 1896 OE2 GLU A 120 5.988 0.310 -36.428 1.00 0.00 O ATOM 0 H GLU A 120 7.968 2.054 -30.450 1.00 0.00 H new ATOM 0 HA GLU A 120 7.438 2.952 -32.419 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.859 0.457 -32.943 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.119 0.293 -33.062 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.177 2.158 -34.806 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.924 2.014 -34.786 1.00 0.00 H new ATOM 1903 N GLU A 121 4.987 3.517 -31.261 1.00 0.00 N ATOM 1904 CA GLU A 121 3.660 4.118 -31.230 1.00 0.00 C ATOM 1905 C GLU A 121 3.552 5.203 -32.295 1.00 0.00 C ATOM 1906 O GLU A 121 2.466 5.468 -32.813 1.00 0.00 O ATOM 1907 CB GLU A 121 3.356 4.680 -29.843 1.00 0.00 C ATOM 1908 CG GLU A 121 3.185 3.594 -28.792 1.00 0.00 C ATOM 1909 CD GLU A 121 2.922 4.141 -27.405 1.00 0.00 C ATOM 1910 OE1 GLU A 121 2.138 5.101 -27.278 1.00 0.00 O ATOM 1911 OE2 GLU A 121 3.497 3.602 -26.434 1.00 0.00 O ATOM 0 H GLU A 121 5.601 3.803 -30.499 1.00 0.00 H new ATOM 0 HA GLU A 121 2.920 3.348 -31.447 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.163 5.347 -29.541 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.447 5.280 -29.890 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.359 2.944 -29.082 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.083 2.977 -28.768 1.00 0.00 H new ATOM 1918 N GLU A 122 4.697 5.812 -32.597 1.00 0.00 N ATOM 1919 CA GLU A 122 4.843 6.774 -33.693 1.00 0.00 C ATOM 1920 C GLU A 122 4.095 8.078 -33.419 1.00 0.00 C ATOM 1921 O GLU A 122 4.713 9.104 -33.134 1.00 0.00 O ATOM 1922 CB GLU A 122 4.377 6.159 -35.020 1.00 0.00 C ATOM 1923 CG GLU A 122 4.684 7.016 -36.238 1.00 0.00 C ATOM 1924 CD GLU A 122 6.170 7.225 -36.432 1.00 0.00 C ATOM 1925 OE1 GLU A 122 6.724 8.181 -35.848 1.00 0.00 O ATOM 1926 OE2 GLU A 122 6.794 6.433 -37.169 1.00 0.00 O ATOM 0 H GLU A 122 5.562 5.651 -32.082 1.00 0.00 H new ATOM 0 HA GLU A 122 5.903 7.016 -33.767 1.00 0.00 H new ATOM 0 HB2 GLU A 122 4.851 5.185 -35.144 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.302 5.986 -34.971 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.267 6.543 -37.127 1.00 0.00 H new ATOM 0 HG3 GLU A 122 4.194 7.984 -36.132 1.00 0.00 H new ATOM 1933 N LEU A 123 2.772 8.017 -33.492 1.00 0.00 N ATOM 1934 CA LEU A 123 1.923 9.192 -33.347 1.00 0.00 C ATOM 1935 C LEU A 123 2.174 9.901 -32.023 1.00 0.00 C ATOM 1936 O LEU A 123 2.217 9.268 -30.961 1.00 0.00 O ATOM 1937 CB LEU A 123 0.450 8.792 -33.446 1.00 0.00 C ATOM 1938 CG LEU A 123 -0.550 9.943 -33.306 1.00 0.00 C ATOM 1939 CD1 LEU A 123 -0.450 10.894 -34.493 1.00 0.00 C ATOM 1940 CD2 LEU A 123 -1.966 9.406 -33.163 1.00 0.00 C ATOM 0 H LEU A 123 2.257 7.151 -33.653 1.00 0.00 H new ATOM 0 HA LEU A 123 2.170 9.882 -34.154 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.286 8.305 -34.407 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.238 8.052 -32.674 1.00 0.00 H new ATOM 0 HG LEU A 123 -0.303 10.502 -32.403 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -1.170 11.704 -34.372 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.557 11.308 -34.544 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.666 10.351 -35.413 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -2.663 10.239 -33.065 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -2.224 8.820 -34.045 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -2.028 8.775 -32.277 1.00 0.00 H new ATOM 1952 N GLU A 124 2.347 11.215 -32.102 1.00 0.00 N ATOM 1953 CA GLU A 124 2.524 12.045 -30.921 1.00 0.00 C ATOM 1954 C GLU A 124 1.268 11.975 -30.059 1.00 0.00 C ATOM 1955 O GLU A 124 0.205 12.465 -30.445 1.00 0.00 O ATOM 1956 CB GLU A 124 2.810 13.489 -31.339 1.00 0.00 C ATOM 1957 CG GLU A 124 3.221 14.399 -30.196 1.00 0.00 C ATOM 1958 CD GLU A 124 3.475 15.818 -30.657 1.00 0.00 C ATOM 1959 OE1 GLU A 124 2.515 16.617 -30.691 1.00 0.00 O ATOM 1960 OE2 GLU A 124 4.626 16.140 -31.005 1.00 0.00 O ATOM 0 H GLU A 124 2.368 11.731 -32.982 1.00 0.00 H new ATOM 0 HA GLU A 124 3.371 11.680 -30.340 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.600 13.488 -32.090 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.920 13.901 -31.814 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.440 14.400 -29.436 1.00 0.00 H new ATOM 0 HG3 GLU A 124 4.122 14.005 -29.726 1.00 0.00 H new ATOM 1967 N HIS A 125 1.394 11.358 -28.898 1.00 0.00 N ATOM 1968 CA HIS A 125 0.238 11.064 -28.063 1.00 0.00 C ATOM 1969 C HIS A 125 0.194 11.960 -26.836 1.00 0.00 C ATOM 1970 O HIS A 125 1.110 11.960 -26.016 1.00 0.00 O ATOM 1971 CB HIS A 125 0.217 9.579 -27.670 1.00 0.00 C ATOM 1972 CG HIS A 125 1.558 9.009 -27.300 1.00 0.00 C ATOM 1973 ND1 HIS A 125 2.435 8.491 -28.231 1.00 0.00 N ATOM 1974 CD2 HIS A 125 2.165 8.865 -26.098 1.00 0.00 C ATOM 1975 CE1 HIS A 125 3.517 8.054 -27.618 1.00 0.00 C ATOM 1976 NE2 HIS A 125 3.382 8.269 -26.325 1.00 0.00 N ATOM 0 H HIS A 125 2.285 11.050 -28.510 1.00 0.00 H new ATOM 0 HA HIS A 125 -0.658 11.273 -28.647 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -0.463 9.449 -26.828 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -0.191 9.003 -28.501 1.00 0.00 H new ATOM 0 HD1 HIS A 125 2.271 8.452 -29.237 1.00 0.00 H new ATOM 0 HD2 HIS A 125 1.767 9.163 -25.139 1.00 0.00 H new ATOM 0 HE1 HIS A 125 4.371 7.596 -28.095 1.00 0.00 H new ATOM 1985 N HIS A 126 -0.890 12.714 -26.722 1.00 0.00 N ATOM 1986 CA HIS A 126 -1.056 13.693 -25.654 1.00 0.00 C ATOM 1987 C HIS A 126 -2.053 13.185 -24.620 1.00 0.00 C ATOM 1988 O HIS A 126 -3.066 12.585 -24.978 1.00 0.00 O ATOM 1989 CB HIS A 126 -1.555 15.029 -26.219 1.00 0.00 C ATOM 1990 CG HIS A 126 -0.596 15.710 -27.149 1.00 0.00 C ATOM 1991 ND1 HIS A 126 -0.072 16.956 -26.897 1.00 0.00 N ATOM 1992 CD2 HIS A 126 -0.095 15.334 -28.351 1.00 0.00 C ATOM 1993 CE1 HIS A 126 0.711 17.316 -27.894 1.00 0.00 C ATOM 1994 NE2 HIS A 126 0.713 16.352 -28.790 1.00 0.00 N ATOM 0 H HIS A 126 -1.679 12.665 -27.366 1.00 0.00 H new ATOM 0 HA HIS A 126 -0.086 13.843 -25.181 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -2.493 14.858 -26.747 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -1.775 15.700 -25.389 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -0.295 14.406 -28.867 1.00 0.00 H new ATOM 0 HE1 HIS A 126 1.258 18.244 -27.964 1.00 0.00 H new ATOM 0 HE2 HIS A 126 1.231 16.360 -29.668 1.00 0.00 H new ATOM 2003 N HIS A 127 -1.772 13.423 -23.344 1.00 0.00 N ATOM 2004 CA HIS A 127 -2.677 13.001 -22.277 1.00 0.00 C ATOM 2005 C HIS A 127 -2.434 13.817 -21.005 1.00 0.00 C ATOM 2006 O HIS A 127 -2.851 13.432 -19.913 1.00 0.00 O ATOM 2007 CB HIS A 127 -2.503 11.499 -21.996 1.00 0.00 C ATOM 2008 CG HIS A 127 -3.569 10.926 -21.113 1.00 0.00 C ATOM 2009 ND1 HIS A 127 -3.302 10.302 -19.913 1.00 0.00 N ATOM 2010 CD2 HIS A 127 -4.915 10.900 -21.257 1.00 0.00 C ATOM 2011 CE1 HIS A 127 -4.436 9.918 -19.359 1.00 0.00 C ATOM 2012 NE2 HIS A 127 -5.429 10.270 -20.152 1.00 0.00 N ATOM 0 H HIS A 127 -0.931 13.903 -23.023 1.00 0.00 H new ATOM 0 HA HIS A 127 -3.702 13.179 -22.603 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -2.498 10.959 -22.943 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.531 11.335 -21.531 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -5.479 11.300 -22.087 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -4.534 9.402 -18.415 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -6.419 10.101 -19.973 1.00 0.00 H new ATOM 2021 N HIS A 128 -1.768 14.954 -21.150 1.00 0.00 N ATOM 2022 CA HIS A 128 -1.460 15.802 -20.006 1.00 0.00 C ATOM 2023 C HIS A 128 -1.349 17.260 -20.436 1.00 0.00 C ATOM 2024 O HIS A 128 -0.256 17.743 -20.744 1.00 0.00 O ATOM 2025 CB HIS A 128 -0.156 15.340 -19.344 1.00 0.00 C ATOM 2026 CG HIS A 128 0.098 15.945 -17.999 1.00 0.00 C ATOM 2027 ND1 HIS A 128 -0.265 15.329 -16.825 1.00 0.00 N ATOM 2028 CD2 HIS A 128 0.707 17.101 -17.642 1.00 0.00 C ATOM 2029 CE1 HIS A 128 0.106 16.076 -15.804 1.00 0.00 C ATOM 2030 NE2 HIS A 128 0.697 17.156 -16.273 1.00 0.00 N ATOM 0 H HIS A 128 -1.431 15.310 -22.045 1.00 0.00 H new ATOM 0 HA HIS A 128 -2.271 15.718 -19.282 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.178 14.255 -19.243 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.678 15.583 -20.002 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.122 17.840 -18.311 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -0.048 15.842 -14.761 1.00 0.00 H new ATOM 0 HE2 HIS A 128 1.085 17.911 -15.708 1.00 0.00 H new ATOM 2039 N HIS A 129 -2.482 17.950 -20.482 1.00 0.00 N ATOM 2040 CA HIS A 129 -2.509 19.358 -20.868 1.00 0.00 C ATOM 2041 C HIS A 129 -3.897 19.956 -20.640 1.00 0.00 C ATOM 2042 O HIS A 129 -4.149 20.590 -19.613 1.00 0.00 O ATOM 2043 CB HIS A 129 -2.096 19.528 -22.340 1.00 0.00 C ATOM 2044 CG HIS A 129 -2.064 20.954 -22.808 1.00 0.00 C ATOM 2045 ND1 HIS A 129 -2.822 21.418 -23.862 1.00 0.00 N ATOM 2046 CD2 HIS A 129 -1.365 22.021 -22.357 1.00 0.00 C ATOM 2047 CE1 HIS A 129 -2.589 22.705 -24.037 1.00 0.00 C ATOM 2048 NE2 HIS A 129 -1.709 23.096 -23.138 1.00 0.00 N ATOM 0 H HIS A 129 -3.396 17.558 -20.257 1.00 0.00 H new ATOM 0 HA HIS A 129 -1.793 19.891 -20.242 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -1.109 19.088 -22.482 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -2.788 18.967 -22.967 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -0.665 22.026 -21.534 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -3.043 23.332 -24.790 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -1.343 24.043 -23.039 1.00 0.00 H new ATOM 2057 N HIS A 130 -4.790 19.731 -21.600 1.00 0.00 N ATOM 2058 CA HIS A 130 -6.139 20.284 -21.573 1.00 0.00 C ATOM 2059 C HIS A 130 -6.857 19.902 -22.855 1.00 0.00 C ATOM 2060 O HIS A 130 -7.576 18.886 -22.856 1.00 0.00 O ATOM 2061 CB HIS A 130 -6.107 21.813 -21.435 1.00 0.00 C ATOM 2062 CG HIS A 130 -7.459 22.441 -21.263 1.00 0.00 C ATOM 2063 ND1 HIS A 130 -7.986 22.753 -20.032 1.00 0.00 N ATOM 2064 CD2 HIS A 130 -8.384 22.829 -22.171 1.00 0.00 C ATOM 2065 CE1 HIS A 130 -9.172 23.304 -20.188 1.00 0.00 C ATOM 2066 NE2 HIS A 130 -9.442 23.365 -21.477 1.00 0.00 N ATOM 2067 OXT HIS A 130 -6.675 20.605 -23.869 1.00 0.00 O ATOM 0 H HIS A 130 -4.597 19.158 -22.421 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.667 19.877 -20.711 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -5.484 22.077 -20.580 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -5.631 22.237 -22.319 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -8.305 22.735 -23.244 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -9.816 23.648 -19.392 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -10.293 23.746 -21.890 1.00 0.00 H new TER 2076 HIS A 130