USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 848 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 121 GLN : amide:sc= 0.804 K(o=1.5,f=-0.14) USER MOD Set 1.2: A 125 ASN : amide:sc= 0.704 K(o=1.5,f=-1.5!) USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= 0.528 USER MOD Set 2.2: A 104 SER OG : rot 94:sc= 0.581 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.511 USER MOD Set 3.2: A 100 THR OG1 : rot -66:sc= 0.56 USER MOD Set 4.1: A 20 TYR OH : rot 160:sc= -0.0369 USER MOD Set 4.2: A 21 THR OG1 : rot 87:sc= 2.27 USER MOD Set 4.3: A 70 TYR OH : rot -18:sc= 0.373 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0197 (180deg=-0.32) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00616 (180deg=-0.177) USER MOD Single : A 2 ASN : amide:sc= -0.0205 X(o=-0.02,f=-0.17) USER MOD Single : A 7 THR OG1 : rot -120:sc=-0.00672 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0.991 (180deg=0.893) USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.55 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 33:sc= 0.514 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 145:sc= 0.855 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= 1.12 (180deg=0.849) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.097 X(o=-0.097,f=-0.15) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0433 X(o=-0.043,f=-0.18) USER MOD Single : A 116 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.12) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 118 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.27) USER MOD Single : A 126 ASN : amide:sc=-0.00283 X(o=-0.0028,f=-0.018) USER MOD Single : A 128 LYS NZ :NH3+ -166:sc= 1.02 (180deg=0.913) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 133 SER OG : rot -57:sc= 1.14 USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.267 14.025 13.240 1.00 0.00 N ATOM 2 CA MET A 1 -1.456 14.308 12.062 1.00 0.00 C ATOM 3 C MET A 1 -1.741 13.303 10.950 1.00 0.00 C ATOM 4 O MET A 1 -1.641 12.094 11.155 1.00 0.00 O ATOM 5 CB MET A 1 0.028 14.292 12.424 1.00 0.00 C ATOM 6 CG MET A 1 0.447 15.376 13.408 1.00 0.00 C ATOM 7 SD MET A 1 0.224 17.040 12.748 1.00 0.00 S ATOM 8 CE MET A 1 1.492 17.076 11.486 1.00 0.00 C ATOM 0 H1 MET A 1 -2.211 14.826 13.900 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.256 13.880 12.954 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.913 13.166 13.707 1.00 0.00 H new ATOM 0 HA MET A 1 -1.719 15.301 11.698 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.276 13.319 12.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.613 14.401 11.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.133 15.273 14.325 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.494 15.233 13.676 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.676 18.107 11.185 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.411 16.644 11.881 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.162 16.499 10.622 1.00 0.00 H new ATOM 20 N ASN A 2 -2.098 13.812 9.775 1.00 0.00 N ATOM 21 CA ASN A 2 -2.274 12.967 8.600 1.00 0.00 C ATOM 22 C ASN A 2 -1.086 13.099 7.652 1.00 0.00 C ATOM 23 O ASN A 2 -0.664 14.205 7.318 1.00 0.00 O ATOM 24 CB ASN A 2 -3.567 13.289 7.872 1.00 0.00 C ATOM 25 CG ASN A 2 -4.802 13.015 8.684 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.099 11.867 9.033 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.567 14.052 8.914 1.00 0.00 N ATOM 0 H ASN A 2 -2.271 14.804 9.612 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.330 11.935 8.947 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.559 14.340 7.583 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.611 12.706 6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.455 13.933 9.402 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.276 14.979 8.605 1.00 0.00 H new ATOM 34 N ILE A 3 -0.551 11.960 7.224 1.00 0.00 N ATOM 35 CA ILE A 3 0.545 11.947 6.262 1.00 0.00 C ATOM 36 C ILE A 3 0.082 11.418 4.909 1.00 0.00 C ATOM 37 O ILE A 3 -0.522 10.349 4.820 1.00 0.00 O ATOM 38 CB ILE A 3 1.724 11.092 6.761 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.271 11.653 8.077 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.820 11.030 5.708 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.295 10.762 8.742 1.00 0.00 C ATOM 0 H ILE A 3 -0.858 11.036 7.527 1.00 0.00 H new ATOM 0 HA ILE A 3 0.879 12.979 6.151 1.00 0.00 H new ATOM 0 HB ILE A 3 1.365 10.079 6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.720 12.628 7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.441 11.814 8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.646 10.422 6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.423 10.587 4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.178 12.037 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.635 11.227 9.668 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.845 9.795 8.965 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.144 10.621 8.073 1.00 0.00 H new ATOM 53 N THR A 4 0.371 12.175 3.854 1.00 0.00 N ATOM 54 CA THR A 4 -0.059 11.807 2.510 1.00 0.00 C ATOM 55 C THR A 4 1.135 11.660 1.573 1.00 0.00 C ATOM 56 O THR A 4 2.050 12.483 1.583 1.00 0.00 O ATOM 57 CB THR A 4 -1.034 12.846 1.926 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.189 12.948 2.768 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.466 12.441 0.524 1.00 0.00 C ATOM 0 H THR A 4 0.900 13.045 3.904 1.00 0.00 H new ATOM 0 HA THR A 4 -0.572 10.849 2.593 1.00 0.00 H new ATOM 0 HB THR A 4 -0.528 13.810 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.808 13.611 2.396 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.155 13.186 0.126 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.590 12.375 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.963 11.471 0.562 1.00 0.00 H new ATOM 67 N VAL A 5 1.119 10.606 0.763 1.00 0.00 N ATOM 68 CA VAL A 5 2.147 10.406 -0.250 1.00 0.00 C ATOM 69 C VAL A 5 1.528 10.105 -1.610 1.00 0.00 C ATOM 70 O VAL A 5 0.393 9.639 -1.697 1.00 0.00 O ATOM 71 CB VAL A 5 3.101 9.259 0.134 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.889 9.617 1.386 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.325 7.967 0.347 1.00 0.00 C ATOM 0 H VAL A 5 0.405 9.878 0.789 1.00 0.00 H new ATOM 0 HA VAL A 5 2.715 11.334 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 5 3.804 9.109 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.558 8.795 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.475 10.518 1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.200 9.795 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.016 7.168 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.599 8.106 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.804 7.700 -0.572 1.00 0.00 H new ATOM 83 N GLU A 6 2.284 10.375 -2.671 1.00 0.00 N ATOM 84 CA GLU A 6 1.759 10.272 -4.028 1.00 0.00 C ATOM 85 C GLU A 6 2.852 9.845 -5.003 1.00 0.00 C ATOM 86 O GLU A 6 3.998 10.283 -4.900 1.00 0.00 O ATOM 87 CB GLU A 6 1.147 11.604 -4.469 1.00 0.00 C ATOM 88 CG GLU A 6 0.456 11.560 -5.825 1.00 0.00 C ATOM 89 CD GLU A 6 -0.117 12.901 -6.190 1.00 0.00 C ATOM 90 OE1 GLU A 6 -0.818 13.465 -5.386 1.00 0.00 O ATOM 91 OE2 GLU A 6 0.238 13.413 -7.225 1.00 0.00 O ATOM 0 H GLU A 6 3.260 10.666 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 6 0.979 9.510 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.426 11.925 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.933 12.359 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.168 11.246 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.340 10.815 -5.806 1.00 0.00 H new ATOM 98 N THR A 7 2.488 8.986 -5.950 1.00 0.00 N ATOM 99 CA THR A 7 3.417 8.555 -6.987 1.00 0.00 C ATOM 100 C THR A 7 2.686 8.259 -8.292 1.00 0.00 C ATOM 101 O THR A 7 1.595 7.686 -8.290 1.00 0.00 O ATOM 102 CB THR A 7 4.204 7.305 -6.555 1.00 0.00 C ATOM 103 OG1 THR A 7 5.291 7.084 -7.463 1.00 0.00 O ATOM 104 CG2 THR A 7 3.300 6.082 -6.545 1.00 0.00 C ATOM 0 H THR A 7 1.557 8.575 -6.020 1.00 0.00 H new ATOM 0 HA THR A 7 4.116 9.376 -7.145 1.00 0.00 H new ATOM 0 HB THR A 7 4.589 7.467 -5.548 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.192 6.204 -7.883 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.874 5.208 -6.237 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.479 6.242 -5.846 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.898 5.918 -7.545 1.00 0.00 H new ATOM 112 N THR A 8 3.294 8.653 -9.408 1.00 0.00 N ATOM 113 CA THR A 8 2.711 8.409 -10.721 1.00 0.00 C ATOM 114 C THR A 8 3.468 7.314 -11.465 1.00 0.00 C ATOM 115 O THR A 8 4.688 7.383 -11.614 1.00 0.00 O ATOM 116 CB THR A 8 2.700 9.687 -11.580 1.00 0.00 C ATOM 117 OG1 THR A 8 1.899 10.688 -10.942 1.00 0.00 O ATOM 118 CG2 THR A 8 2.136 9.395 -12.963 1.00 0.00 C ATOM 0 H THR A 8 4.189 9.142 -9.428 1.00 0.00 H new ATOM 0 HA THR A 8 1.683 8.086 -10.554 1.00 0.00 H new ATOM 0 HB THR A 8 3.724 10.045 -11.685 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.894 11.501 -11.489 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.136 10.309 -13.556 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.752 8.643 -13.456 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.116 9.023 -12.869 1.00 0.00 H new ATOM 126 N VAL A 9 2.738 6.306 -11.929 1.00 0.00 N ATOM 127 CA VAL A 9 3.351 5.152 -12.577 1.00 0.00 C ATOM 128 C VAL A 9 2.928 5.054 -14.038 1.00 0.00 C ATOM 129 O VAL A 9 1.792 5.374 -14.389 1.00 0.00 O ATOM 130 CB VAL A 9 2.986 3.841 -11.857 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.480 3.868 -10.417 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.484 3.609 -11.898 1.00 0.00 C ATOM 0 H VAL A 9 1.721 6.264 -11.869 1.00 0.00 H new ATOM 0 HA VAL A 9 4.430 5.296 -12.523 1.00 0.00 H new ATOM 0 HB VAL A 9 3.476 3.017 -12.376 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.213 2.934 -9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.563 3.988 -10.406 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.017 4.702 -9.889 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.246 2.678 -11.384 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.974 4.437 -11.404 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.154 3.546 -12.935 1.00 0.00 H new ATOM 142 N ALA A 10 3.848 4.607 -14.887 1.00 0.00 N ATOM 143 CA ALA A 10 3.547 4.389 -16.296 1.00 0.00 C ATOM 144 C ALA A 10 3.025 2.975 -16.532 1.00 0.00 C ATOM 145 O ALA A 10 3.730 2.125 -17.073 1.00 0.00 O ATOM 146 CB ALA A 10 4.782 4.646 -17.146 1.00 0.00 C ATOM 0 H ALA A 10 4.809 4.389 -14.623 1.00 0.00 H new ATOM 0 HA ALA A 10 2.766 5.091 -16.589 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.542 4.479 -18.196 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.111 5.676 -17.008 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.579 3.967 -16.844 1.00 0.00 H new ATOM 152 N ALA A 11 1.784 2.731 -16.121 1.00 0.00 N ATOM 153 CA ALA A 11 1.162 1.425 -16.302 1.00 0.00 C ATOM 154 C ALA A 11 -0.348 1.556 -16.463 1.00 0.00 C ATOM 155 O ALA A 11 -0.953 2.560 -16.089 1.00 0.00 O ATOM 156 CB ALA A 11 1.495 0.515 -15.130 1.00 0.00 C ATOM 0 H ALA A 11 1.190 3.421 -15.661 1.00 0.00 H new ATOM 0 HA ALA A 11 1.561 0.982 -17.214 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.024 -0.457 -15.279 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.576 0.388 -15.063 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.124 0.960 -14.207 1.00 0.00 H new ATOM 162 N PRO A 12 -0.975 0.515 -17.032 1.00 0.00 N ATOM 163 CA PRO A 12 -2.424 0.487 -17.252 1.00 0.00 C ATOM 164 C PRO A 12 -3.206 0.354 -15.950 1.00 0.00 C ATOM 165 O PRO A 12 -2.761 -0.309 -15.011 1.00 0.00 O ATOM 166 CB PRO A 12 -2.636 -0.722 -18.169 1.00 0.00 C ATOM 167 CG PRO A 12 -1.495 -1.628 -17.857 1.00 0.00 C ATOM 168 CD PRO A 12 -0.328 -0.720 -17.579 1.00 0.00 C ATOM 0 HA PRO A 12 -2.789 1.415 -17.691 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.593 -1.206 -17.973 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.635 -0.429 -19.219 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.717 -2.257 -16.995 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.283 -2.295 -18.693 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.364 -1.162 -16.863 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.242 -0.509 -18.484 1.00 0.00 H new ATOM 176 N VAL A 13 -4.375 0.985 -15.898 1.00 0.00 N ATOM 177 CA VAL A 13 -5.123 1.107 -14.652 1.00 0.00 C ATOM 178 C VAL A 13 -5.502 -0.263 -14.103 1.00 0.00 C ATOM 179 O VAL A 13 -5.643 -0.442 -12.894 1.00 0.00 O ATOM 180 CB VAL A 13 -6.401 1.946 -14.840 1.00 0.00 C ATOM 181 CG1 VAL A 13 -6.047 3.377 -15.217 1.00 0.00 C ATOM 182 CG2 VAL A 13 -7.295 1.324 -15.901 1.00 0.00 C ATOM 0 H VAL A 13 -4.824 1.419 -16.704 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.470 1.613 -13.941 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.945 1.961 -13.896 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.961 3.956 -15.346 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.444 3.823 -14.426 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.482 3.379 -16.149 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.193 1.930 -16.021 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.758 1.280 -16.849 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.575 0.316 -15.595 1.00 0.00 H new ATOM 192 N GLY A 14 -5.664 -1.231 -15.001 1.00 0.00 N ATOM 193 CA GLY A 14 -5.953 -2.590 -14.582 1.00 0.00 C ATOM 194 C GLY A 14 -4.846 -3.183 -13.733 1.00 0.00 C ATOM 195 O GLY A 14 -5.108 -3.816 -12.711 1.00 0.00 O ATOM 0 H GLY A 14 -5.600 -1.098 -16.010 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.886 -2.602 -14.018 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.105 -3.214 -15.463 1.00 0.00 H new ATOM 199 N LYS A 15 -3.604 -2.980 -14.159 1.00 0.00 N ATOM 200 CA LYS A 15 -2.451 -3.490 -13.426 1.00 0.00 C ATOM 201 C LYS A 15 -2.186 -2.653 -12.178 1.00 0.00 C ATOM 202 O LYS A 15 -1.806 -3.182 -11.133 1.00 0.00 O ATOM 203 CB LYS A 15 -1.211 -3.511 -14.322 1.00 0.00 C ATOM 204 CG LYS A 15 -1.269 -4.529 -15.452 1.00 0.00 C ATOM 205 CD LYS A 15 0.076 -4.655 -16.153 1.00 0.00 C ATOM 206 CE LYS A 15 -0.035 -5.487 -17.421 1.00 0.00 C ATOM 207 NZ LYS A 15 1.300 -5.879 -17.949 1.00 0.00 N ATOM 0 H LYS A 15 -3.370 -2.466 -15.008 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.674 -4.510 -13.114 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.070 -2.519 -14.750 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.336 -3.719 -13.706 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.567 -5.499 -15.055 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.031 -4.232 -16.173 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.454 -3.663 -16.399 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.799 -5.113 -15.478 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.621 -6.383 -17.217 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.573 -4.920 -18.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.192 -6.280 -18.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.915 -5.042 -17.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.727 -6.590 -17.321 1.00 0.00 H new ATOM 221 N VAL A 16 -2.391 -1.345 -12.293 1.00 0.00 N ATOM 222 CA VAL A 16 -2.085 -0.424 -11.204 1.00 0.00 C ATOM 223 C VAL A 16 -3.071 -0.588 -10.053 1.00 0.00 C ATOM 224 O VAL A 16 -2.674 -0.685 -8.892 1.00 0.00 O ATOM 225 CB VAL A 16 -2.105 1.041 -11.681 1.00 0.00 C ATOM 226 CG1 VAL A 16 -1.916 1.987 -10.504 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.029 1.275 -12.730 1.00 0.00 C ATOM 0 H VAL A 16 -2.768 -0.899 -13.129 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.081 -0.669 -10.856 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.076 1.243 -12.133 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.933 3.017 -10.859 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.721 1.838 -9.785 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.959 1.784 -10.024 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.058 2.315 -13.055 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.051 1.056 -12.303 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.206 0.622 -13.585 1.00 0.00 H new ATOM 237 N TRP A 17 -4.357 -0.618 -10.382 1.00 0.00 N ATOM 238 CA TRP A 17 -5.405 -0.688 -9.369 1.00 0.00 C ATOM 239 C TRP A 17 -5.337 -2.007 -8.608 1.00 0.00 C ATOM 240 O TRP A 17 -5.497 -2.040 -7.387 1.00 0.00 O ATOM 241 CB TRP A 17 -6.783 -0.523 -10.012 1.00 0.00 C ATOM 242 CG TRP A 17 -7.008 0.835 -10.604 1.00 0.00 C ATOM 243 CD1 TRP A 17 -6.081 1.825 -10.748 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.236 1.354 -11.129 1.00 0.00 C ATOM 245 NE1 TRP A 17 -6.655 2.928 -11.331 1.00 0.00 N ATOM 246 CE2 TRP A 17 -7.979 2.662 -11.576 1.00 0.00 C ATOM 247 CE3 TRP A 17 -9.530 0.835 -11.267 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -8.960 3.459 -12.145 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -10.512 1.634 -11.839 1.00 0.00 C ATOM 250 CH2 TRP A 17 -10.236 2.908 -12.266 1.00 0.00 C ATOM 0 H TRP A 17 -4.700 -0.595 -11.342 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.246 0.127 -8.662 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.904 -1.275 -10.792 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.550 -0.715 -9.262 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.046 1.752 -10.447 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.176 3.802 -11.547 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.760 -0.167 -10.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.746 4.463 -12.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.513 1.244 -11.950 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -11.026 3.499 -12.706 1.00 0.00 H new ATOM 261 N ARG A 18 -5.098 -3.094 -9.335 1.00 0.00 N ATOM 262 CA ARG A 18 -5.018 -4.416 -8.727 1.00 0.00 C ATOM 263 C ARG A 18 -3.836 -4.503 -7.765 1.00 0.00 C ATOM 264 O ARG A 18 -3.860 -5.275 -6.807 1.00 0.00 O ATOM 265 CB ARG A 18 -4.974 -5.526 -9.768 1.00 0.00 C ATOM 266 CG ARG A 18 -6.292 -5.787 -10.480 1.00 0.00 C ATOM 267 CD ARG A 18 -6.230 -6.857 -11.509 1.00 0.00 C ATOM 268 NE ARG A 18 -7.496 -7.128 -12.172 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.662 -8.020 -13.168 1.00 0.00 C ATOM 270 NH1 ARG A 18 -6.644 -8.699 -13.645 1.00 0.00 N ATOM 271 NH2 ARG A 18 -8.875 -8.176 -13.671 1.00 0.00 N ATOM 0 H ARG A 18 -4.957 -3.085 -10.345 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.932 -4.564 -8.152 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.218 -5.276 -10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.651 -6.447 -9.283 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.045 -6.055 -9.739 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.625 -4.863 -10.953 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.492 -6.578 -12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.876 -7.775 -11.040 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.315 -6.606 -11.861 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.710 -8.555 -13.261 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.787 -9.371 -14.399 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.654 -7.628 -13.304 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.032 -8.844 -14.426 1.00 0.00 H new ATOM 285 N ALA A 19 -2.806 -3.707 -8.028 1.00 0.00 N ATOM 286 CA ALA A 19 -1.564 -3.789 -7.271 1.00 0.00 C ATOM 287 C ALA A 19 -1.730 -3.187 -5.878 1.00 0.00 C ATOM 288 O ALA A 19 -0.831 -3.278 -5.043 1.00 0.00 O ATOM 289 CB ALA A 19 -0.441 -3.088 -8.021 1.00 0.00 C ATOM 0 H ALA A 19 -2.807 -2.997 -8.760 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.306 -4.842 -7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.481 -3.157 -7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.298 -3.565 -8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.700 -2.039 -8.167 1.00 0.00 H new ATOM 295 N TYR A 20 -2.882 -2.574 -5.638 1.00 0.00 N ATOM 296 CA TYR A 20 -3.123 -1.863 -4.387 1.00 0.00 C ATOM 297 C TYR A 20 -2.824 -2.755 -3.186 1.00 0.00 C ATOM 298 O TYR A 20 -2.362 -2.283 -2.147 1.00 0.00 O ATOM 299 CB TYR A 20 -4.567 -1.362 -4.325 1.00 0.00 C ATOM 300 CG TYR A 20 -5.550 -2.386 -3.802 1.00 0.00 C ATOM 301 CD1 TYR A 20 -6.068 -3.364 -4.637 1.00 0.00 C ATOM 302 CD2 TYR A 20 -5.957 -2.371 -2.476 1.00 0.00 C ATOM 303 CE1 TYR A 20 -6.967 -4.303 -4.165 1.00 0.00 C ATOM 304 CE2 TYR A 20 -6.853 -3.304 -1.993 1.00 0.00 C ATOM 305 CZ TYR A 20 -7.356 -4.269 -2.841 1.00 0.00 C ATOM 306 OH TYR A 20 -8.251 -5.201 -2.367 1.00 0.00 O ATOM 0 H TYR A 20 -3.664 -2.554 -6.292 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.451 -1.005 -4.353 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.607 -0.477 -3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.877 -1.052 -5.323 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.765 -3.393 -5.673 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.566 -1.616 -1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.362 -5.058 -4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.158 -3.278 -0.957 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.183 -5.253 -1.391 1.00 0.00 H new ATOM 316 N THR A 21 -3.089 -4.049 -3.339 1.00 0.00 N ATOM 317 CA THR A 21 -2.660 -5.038 -2.357 1.00 0.00 C ATOM 318 C THR A 21 -2.265 -6.346 -3.032 1.00 0.00 C ATOM 319 O THR A 21 -3.002 -7.331 -2.980 1.00 0.00 O ATOM 320 CB THR A 21 -3.760 -5.317 -1.318 1.00 0.00 C ATOM 321 OG1 THR A 21 -4.179 -4.085 -0.717 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.247 -6.255 -0.237 1.00 0.00 C ATOM 0 H THR A 21 -3.598 -4.436 -4.133 1.00 0.00 H new ATOM 0 HA THR A 21 -1.792 -4.620 -1.847 1.00 0.00 H new ATOM 0 HB THR A 21 -4.604 -5.787 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.880 -3.675 -1.266 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.038 -6.441 0.489 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.940 -7.198 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.394 -5.799 0.265 1.00 0.00 H new ATOM 330 N THR A 22 -1.096 -6.351 -3.664 1.00 0.00 N ATOM 331 CA THR A 22 -0.522 -7.580 -4.199 1.00 0.00 C ATOM 332 C THR A 22 0.650 -8.054 -3.349 1.00 0.00 C ATOM 333 O THR A 22 1.582 -7.303 -3.058 1.00 0.00 O ATOM 334 CB THR A 22 -0.049 -7.397 -5.654 1.00 0.00 C ATOM 335 OG1 THR A 22 -1.167 -7.061 -6.485 1.00 0.00 O ATOM 336 CG2 THR A 22 0.596 -8.673 -6.169 1.00 0.00 C ATOM 0 H THR A 22 -0.528 -5.518 -3.818 1.00 0.00 H new ATOM 0 HA THR A 22 -1.311 -8.332 -4.177 1.00 0.00 H new ATOM 0 HB THR A 22 0.687 -6.593 -5.682 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.898 -7.100 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.924 -8.525 -7.198 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.455 -8.923 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.128 -9.487 -6.132 1.00 0.00 H new ATOM 344 N PRO A 23 0.610 -9.331 -2.942 1.00 0.00 N ATOM 345 CA PRO A 23 1.637 -9.921 -2.079 1.00 0.00 C ATOM 346 C PRO A 23 3.003 -9.965 -2.752 1.00 0.00 C ATOM 347 O PRO A 23 4.034 -9.810 -2.096 1.00 0.00 O ATOM 348 CB PRO A 23 1.118 -11.340 -1.829 1.00 0.00 C ATOM 349 CG PRO A 23 0.138 -11.583 -2.923 1.00 0.00 C ATOM 350 CD PRO A 23 -0.501 -10.253 -3.210 1.00 0.00 C ATOM 0 HA PRO A 23 1.787 -9.341 -1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.929 -12.068 -1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.647 -11.422 -0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.634 -11.977 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.609 -12.318 -2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.855 -10.181 -4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.358 -10.062 -2.564 1.00 0.00 H new ATOM 358 N GLU A 24 3.005 -10.175 -4.065 1.00 0.00 N ATOM 359 CA GLU A 24 4.241 -10.161 -4.838 1.00 0.00 C ATOM 360 C GLU A 24 4.893 -8.781 -4.799 1.00 0.00 C ATOM 361 O GLU A 24 6.118 -8.662 -4.773 1.00 0.00 O ATOM 362 CB GLU A 24 3.974 -10.577 -6.286 1.00 0.00 C ATOM 363 CG GLU A 24 3.619 -12.047 -6.462 1.00 0.00 C ATOM 364 CD GLU A 24 3.290 -12.362 -7.896 1.00 0.00 C ATOM 365 OE1 GLU A 24 3.274 -11.456 -8.694 1.00 0.00 O ATOM 366 OE2 GLU A 24 3.168 -13.521 -8.215 1.00 0.00 O ATOM 0 H GLU A 24 2.165 -10.357 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 24 4.927 -10.878 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.160 -9.969 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.858 -10.355 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.453 -12.667 -6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.768 -12.296 -5.828 1.00 0.00 H new ATOM 373 N ASP A 25 4.065 -7.744 -4.795 1.00 0.00 N ATOM 374 CA ASP A 25 4.547 -6.381 -4.594 1.00 0.00 C ATOM 375 C ASP A 25 5.018 -6.177 -3.158 1.00 0.00 C ATOM 376 O ASP A 25 6.038 -5.529 -2.916 1.00 0.00 O ATOM 377 CB ASP A 25 3.454 -5.367 -4.941 1.00 0.00 C ATOM 378 CG ASP A 25 3.888 -3.912 -4.828 1.00 0.00 C ATOM 379 OD1 ASP A 25 4.816 -3.534 -5.505 1.00 0.00 O ATOM 380 OD2 ASP A 25 3.197 -3.154 -4.191 1.00 0.00 O ATOM 0 H ASP A 25 3.057 -7.819 -4.928 1.00 0.00 H new ATOM 0 HA ASP A 25 5.395 -6.222 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.112 -5.554 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.601 -5.531 -4.283 1.00 0.00 H new ATOM 385 N ILE A 26 4.272 -6.734 -2.211 1.00 0.00 N ATOM 386 CA ILE A 26 4.603 -6.594 -0.798 1.00 0.00 C ATOM 387 C ILE A 26 5.940 -7.252 -0.479 1.00 0.00 C ATOM 388 O ILE A 26 6.656 -6.823 0.425 1.00 0.00 O ATOM 389 CB ILE A 26 3.511 -7.206 0.100 1.00 0.00 C ATOM 390 CG1 ILE A 26 2.234 -6.366 0.035 1.00 0.00 C ATOM 391 CG2 ILE A 26 4.005 -7.319 1.534 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.029 -7.037 0.656 1.00 0.00 C ATOM 0 H ILE A 26 3.435 -7.286 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 26 4.671 -5.525 -0.594 1.00 0.00 H new ATOM 0 HB ILE A 26 3.283 -8.207 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.409 -5.416 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.014 -6.137 -1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.222 -7.753 2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.888 -7.957 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.259 -6.328 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.163 -6.380 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.826 -7.974 0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.228 -7.241 1.708 1.00 0.00 H new ATOM 604 N ALA A 40 5.901 -12.630 3.116 1.00 0.00 N ATOM 605 CA ALA A 40 4.695 -13.244 2.572 1.00 0.00 C ATOM 606 C ALA A 40 3.452 -12.455 2.968 1.00 0.00 C ATOM 607 O ALA A 40 3.390 -11.877 4.052 1.00 0.00 O ATOM 608 CB ALA A 40 4.579 -14.686 3.043 1.00 0.00 C ATOM 0 HA ALA A 40 4.770 -13.233 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.674 -15.132 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.449 -15.250 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.531 -14.710 4.132 1.00 0.00 H new ATOM 614 N ALA A 41 2.463 -12.433 2.079 1.00 0.00 N ATOM 615 CA ALA A 41 1.220 -11.716 2.338 1.00 0.00 C ATOM 616 C ALA A 41 0.010 -12.572 1.981 1.00 0.00 C ATOM 617 O ALA A 41 -0.005 -13.249 0.951 1.00 0.00 O ATOM 618 CB ALA A 41 1.193 -10.411 1.558 1.00 0.00 C ATOM 0 H ALA A 41 2.499 -12.903 1.174 1.00 0.00 H new ATOM 0 HA ALA A 41 1.173 -11.491 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.260 -9.885 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.034 -9.788 1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.266 -10.623 0.491 1.00 0.00 H new ATOM 624 N THR A 42 -1.006 -12.540 2.837 1.00 0.00 N ATOM 625 CA THR A 42 -2.287 -13.163 2.530 1.00 0.00 C ATOM 626 C THR A 42 -3.431 -12.163 2.661 1.00 0.00 C ATOM 627 O THR A 42 -3.580 -11.508 3.692 1.00 0.00 O ATOM 628 CB THR A 42 -2.564 -14.370 3.447 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.531 -15.349 3.277 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.910 -14.994 3.114 1.00 0.00 C ATOM 0 H THR A 42 -0.966 -12.088 3.751 1.00 0.00 H new ATOM 0 HA THR A 42 -2.228 -13.510 1.498 1.00 0.00 H new ATOM 0 HB THR A 42 -2.581 -14.026 4.481 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.707 -16.115 3.862 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.089 -15.845 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.699 -14.255 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.909 -15.330 2.077 1.00 0.00 H new ATOM 638 N VAL A 43 -4.237 -12.052 1.611 1.00 0.00 N ATOM 639 CA VAL A 43 -5.280 -11.035 1.553 1.00 0.00 C ATOM 640 C VAL A 43 -6.585 -11.616 1.019 1.00 0.00 C ATOM 641 O VAL A 43 -6.590 -12.366 0.043 1.00 0.00 O ATOM 642 CB VAL A 43 -4.858 -9.849 0.666 1.00 0.00 C ATOM 643 CG1 VAL A 43 -4.494 -10.330 -0.731 1.00 0.00 C ATOM 644 CG2 VAL A 43 -5.965 -8.807 0.606 1.00 0.00 C ATOM 0 H VAL A 43 -4.188 -12.654 0.789 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.434 -10.680 2.572 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.976 -9.385 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.198 -9.478 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.666 -11.037 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.356 -10.820 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.649 -7.976 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.866 -9.257 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.174 -8.440 1.611 1.00 0.00 H new ATOM 654 N ASP A 44 -7.690 -11.263 1.666 1.00 0.00 N ATOM 655 CA ASP A 44 -9.011 -11.434 1.072 1.00 0.00 C ATOM 656 C ASP A 44 -9.457 -10.160 0.361 1.00 0.00 C ATOM 657 O ASP A 44 -9.800 -9.166 1.000 1.00 0.00 O ATOM 658 CB ASP A 44 -10.035 -11.827 2.140 1.00 0.00 C ATOM 659 CG ASP A 44 -11.433 -12.104 1.601 1.00 0.00 C ATOM 660 OD1 ASP A 44 -11.635 -11.940 0.422 1.00 0.00 O ATOM 661 OD2 ASP A 44 -12.238 -12.624 2.335 1.00 0.00 O ATOM 0 H ASP A 44 -7.698 -10.857 2.602 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.947 -12.235 0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.677 -12.716 2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.096 -11.028 2.879 1.00 0.00 H new ATOM 666 N LEU A 45 -9.445 -10.197 -0.968 1.00 0.00 N ATOM 667 CA LEU A 45 -9.646 -8.994 -1.767 1.00 0.00 C ATOM 668 C LEU A 45 -11.128 -8.646 -1.865 1.00 0.00 C ATOM 669 O LEU A 45 -11.811 -9.049 -2.806 1.00 0.00 O ATOM 670 CB LEU A 45 -9.045 -9.178 -3.167 1.00 0.00 C ATOM 671 CG LEU A 45 -7.517 -9.300 -3.211 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.064 -9.697 -4.609 1.00 0.00 C ATOM 673 CD2 LEU A 45 -6.889 -7.979 -2.795 1.00 0.00 C ATOM 0 H LEU A 45 -9.298 -11.046 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.136 -8.167 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.478 -10.072 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.344 -8.333 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.195 -10.075 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.977 -9.781 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.507 -10.656 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.383 -8.938 -5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.803 -8.067 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.210 -7.193 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.204 -7.730 -1.782 1.00 0.00 H new ATOM 685 N ARG A 46 -11.619 -7.892 -0.886 1.00 0.00 N ATOM 686 CA ARG A 46 -13.011 -7.460 -0.879 1.00 0.00 C ATOM 687 C ARG A 46 -13.235 -6.364 0.159 1.00 0.00 C ATOM 688 O ARG A 46 -12.453 -6.216 1.097 1.00 0.00 O ATOM 689 CB ARG A 46 -13.973 -8.623 -0.681 1.00 0.00 C ATOM 690 CG ARG A 46 -13.887 -9.301 0.676 1.00 0.00 C ATOM 691 CD ARG A 46 -14.827 -10.437 0.855 1.00 0.00 C ATOM 692 NE ARG A 46 -14.634 -11.192 2.082 1.00 0.00 N ATOM 693 CZ ARG A 46 -15.186 -10.875 3.270 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.932 -9.801 3.405 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.937 -11.660 4.304 1.00 0.00 N ATOM 0 H ARG A 46 -11.073 -7.568 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.226 -7.042 -1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.991 -8.262 -0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.785 -9.367 -1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.869 -9.661 0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.080 -8.560 1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.847 -10.054 0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.724 -11.114 0.007 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.039 -12.020 2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.101 -9.193 2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.342 -9.576 4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.341 -12.480 4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.341 -11.446 5.216 1.00 0.00 H new ATOM 709 N GLU A 47 -14.309 -5.600 -0.018 1.00 0.00 N ATOM 710 CA GLU A 47 -14.771 -4.684 1.018 1.00 0.00 C ATOM 711 C GLU A 47 -15.177 -5.444 2.276 1.00 0.00 C ATOM 712 O GLU A 47 -16.016 -6.343 2.227 1.00 0.00 O ATOM 713 CB GLU A 47 -15.943 -3.843 0.506 1.00 0.00 C ATOM 714 CG GLU A 47 -16.404 -2.756 1.467 1.00 0.00 C ATOM 715 CD GLU A 47 -17.386 -1.827 0.810 1.00 0.00 C ATOM 716 OE1 GLU A 47 -17.037 -1.225 -0.177 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.520 -1.803 1.227 1.00 0.00 O ATOM 0 H GLU A 47 -14.874 -5.597 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.946 -4.018 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.656 -3.379 -0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.783 -4.504 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.863 -3.213 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.542 -2.189 1.818 1.00 0.00 H new ATOM 724 N GLY A 48 -14.574 -5.077 3.403 1.00 0.00 N ATOM 725 CA GLY A 48 -14.823 -5.788 4.642 1.00 0.00 C ATOM 726 C GLY A 48 -13.871 -6.951 4.844 1.00 0.00 C ATOM 727 O GLY A 48 -13.850 -7.568 5.908 1.00 0.00 O ATOM 0 H GLY A 48 -13.918 -4.300 3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.730 -5.096 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.849 -6.157 4.646 1.00 0.00 H new ATOM 731 N GLY A 49 -13.081 -7.252 3.817 1.00 0.00 N ATOM 732 CA GLY A 49 -12.196 -8.401 3.875 1.00 0.00 C ATOM 733 C GLY A 49 -10.986 -8.157 4.755 1.00 0.00 C ATOM 734 O GLY A 49 -10.613 -7.011 5.005 1.00 0.00 O ATOM 0 H GLY A 49 -13.038 -6.721 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.748 -9.262 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.864 -8.651 2.867 1.00 0.00 H new ATOM 738 N ALA A 50 -10.373 -9.238 5.228 1.00 0.00 N ATOM 739 CA ALA A 50 -9.208 -9.134 6.099 1.00 0.00 C ATOM 740 C ALA A 50 -7.927 -9.472 5.343 1.00 0.00 C ATOM 741 O ALA A 50 -7.932 -10.296 4.429 1.00 0.00 O ATOM 742 CB ALA A 50 -9.369 -10.050 7.304 1.00 0.00 C ATOM 0 H ALA A 50 -10.663 -10.194 5.023 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.133 -8.103 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.493 -9.963 7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.259 -9.762 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.470 -11.081 6.966 1.00 0.00 H new ATOM 748 N PHE A 51 -6.831 -8.829 5.730 1.00 0.00 N ATOM 749 CA PHE A 51 -5.536 -9.083 5.112 1.00 0.00 C ATOM 750 C PHE A 51 -4.417 -9.027 6.148 1.00 0.00 C ATOM 751 O PHE A 51 -4.558 -8.393 7.194 1.00 0.00 O ATOM 752 CB PHE A 51 -5.271 -8.076 3.991 1.00 0.00 C ATOM 753 CG PHE A 51 -5.275 -6.645 4.448 1.00 0.00 C ATOM 754 CD1 PHE A 51 -6.451 -5.912 4.471 1.00 0.00 C ATOM 755 CD2 PHE A 51 -4.100 -6.030 4.857 1.00 0.00 C ATOM 756 CE1 PHE A 51 -6.455 -4.596 4.891 1.00 0.00 C ATOM 757 CE2 PHE A 51 -4.103 -4.713 5.279 1.00 0.00 C ATOM 758 CZ PHE A 51 -5.280 -3.996 5.296 1.00 0.00 C ATOM 0 H PHE A 51 -6.814 -8.127 6.470 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.557 -10.086 4.685 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.306 -8.299 3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.027 -8.202 3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.375 -6.375 4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.174 -6.586 4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.378 -4.036 4.902 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.182 -4.246 5.596 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.283 -2.967 5.625 1.00 0.00 H new ATOM 768 N SER A 52 -3.306 -9.692 5.848 1.00 0.00 N ATOM 769 CA SER A 52 -2.174 -9.743 6.767 1.00 0.00 C ATOM 770 C SER A 52 -0.867 -9.945 6.007 1.00 0.00 C ATOM 771 O SER A 52 -0.813 -10.692 5.030 1.00 0.00 O ATOM 772 CB SER A 52 -2.375 -10.850 7.783 1.00 0.00 C ATOM 773 OG SER A 52 -1.288 -10.962 8.660 1.00 0.00 O ATOM 0 H SER A 52 -3.165 -10.203 4.976 1.00 0.00 H new ATOM 0 HA SER A 52 -2.115 -8.791 7.294 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.283 -10.657 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.520 -11.797 7.263 1.00 0.00 H new ATOM 0 HG SER A 52 -0.894 -10.077 8.807 1.00 0.00 H new ATOM 779 N SER A 53 0.184 -9.272 6.464 1.00 0.00 N ATOM 780 CA SER A 53 1.515 -9.458 5.897 1.00 0.00 C ATOM 781 C SER A 53 2.495 -9.949 6.958 1.00 0.00 C ATOM 782 O SER A 53 2.625 -9.348 8.025 1.00 0.00 O ATOM 783 CB SER A 53 2.007 -8.162 5.281 1.00 0.00 C ATOM 784 OG SER A 53 3.311 -8.279 4.783 1.00 0.00 O ATOM 0 H SER A 53 0.140 -8.594 7.224 1.00 0.00 H new ATOM 0 HA SER A 53 1.453 -10.217 5.117 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.336 -7.867 4.474 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.974 -7.370 6.029 1.00 0.00 H new ATOM 0 HG SER A 53 3.590 -7.424 4.393 1.00 0.00 H new ATOM 790 N ARG A 54 3.179 -11.048 6.659 1.00 0.00 N ATOM 791 CA ARG A 54 4.146 -11.622 7.587 1.00 0.00 C ATOM 792 C ARG A 54 5.573 -11.359 7.116 1.00 0.00 C ATOM 793 O ARG A 54 5.983 -11.821 6.052 1.00 0.00 O ATOM 794 CB ARG A 54 3.900 -13.105 7.830 1.00 0.00 C ATOM 795 CG ARG A 54 4.936 -13.788 8.709 1.00 0.00 C ATOM 796 CD ARG A 54 4.670 -15.228 8.961 1.00 0.00 C ATOM 797 NE ARG A 54 3.541 -15.488 9.841 1.00 0.00 N ATOM 798 CZ ARG A 54 3.617 -15.550 11.184 1.00 0.00 C ATOM 799 NH1 ARG A 54 4.767 -15.410 11.805 1.00 0.00 N ATOM 800 NH2 ARG A 54 2.506 -15.780 11.862 1.00 0.00 N ATOM 0 H ARG A 54 3.082 -11.559 5.782 1.00 0.00 H new ATOM 0 HA ARG A 54 4.011 -11.124 8.547 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.919 -13.226 8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.867 -13.616 6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.915 -13.688 8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.985 -13.267 9.665 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.492 -15.724 8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.563 -15.679 9.394 1.00 0.00 H new ATOM 0 HE ARG A 54 2.628 -15.634 9.410 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.620 -15.252 11.269 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.806 -15.460 12.823 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.623 -15.905 11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.532 -15.833 12.880 1.00 0.00 H new ATOM 964 N PHE A 66 1.952 -7.771 10.451 1.00 0.00 N ATOM 965 CA PHE A 66 1.069 -6.676 10.061 1.00 0.00 C ATOM 966 C PHE A 66 -0.301 -7.203 9.646 1.00 0.00 C ATOM 967 O PHE A 66 -0.404 -8.127 8.841 1.00 0.00 O ATOM 968 CB PHE A 66 1.691 -5.865 8.922 1.00 0.00 C ATOM 969 CG PHE A 66 0.804 -4.770 8.404 1.00 0.00 C ATOM 970 CD1 PHE A 66 0.609 -3.609 9.138 1.00 0.00 C ATOM 971 CD2 PHE A 66 0.162 -4.897 7.182 1.00 0.00 C ATOM 972 CE1 PHE A 66 -0.207 -2.601 8.661 1.00 0.00 C ATOM 973 CE2 PHE A 66 -0.653 -3.891 6.702 1.00 0.00 C ATOM 974 CZ PHE A 66 -0.838 -2.740 7.444 1.00 0.00 C ATOM 0 HA PHE A 66 0.938 -6.024 10.925 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.627 -5.428 9.269 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.938 -6.539 8.101 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.100 -3.492 10.093 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.301 -5.795 6.598 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.350 -1.703 9.243 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.145 -4.004 5.747 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.475 -1.952 7.071 1.00 0.00 H new ATOM 984 N ALA A 67 -1.350 -6.608 10.203 1.00 0.00 N ATOM 985 CA ALA A 67 -2.712 -7.047 9.928 1.00 0.00 C ATOM 986 C ALA A 67 -3.651 -5.856 9.763 1.00 0.00 C ATOM 987 O ALA A 67 -3.457 -4.810 10.383 1.00 0.00 O ATOM 988 CB ALA A 67 -3.208 -7.960 11.039 1.00 0.00 C ATOM 0 H ALA A 67 -1.283 -5.820 10.848 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.704 -7.604 8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.227 -8.280 10.820 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.560 -8.834 11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.193 -7.421 11.987 1.00 0.00 H new ATOM 994 N GLY A 68 -4.668 -6.022 8.923 1.00 0.00 N ATOM 995 CA GLY A 68 -5.659 -4.976 8.743 1.00 0.00 C ATOM 996 C GLY A 68 -6.943 -5.493 8.124 1.00 0.00 C ATOM 997 O GLY A 68 -6.999 -6.628 7.649 1.00 0.00 O ATOM 0 H GLY A 68 -4.824 -6.861 8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.882 -4.521 9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.244 -4.192 8.110 1.00 0.00 H new ATOM 1001 N THR A 69 -7.979 -4.662 8.132 1.00 0.00 N ATOM 1002 CA THR A 69 -9.245 -5.010 7.499 1.00 0.00 C ATOM 1003 C THR A 69 -9.757 -3.869 6.629 1.00 0.00 C ATOM 1004 O THR A 69 -9.523 -2.697 6.923 1.00 0.00 O ATOM 1005 CB THR A 69 -10.318 -5.369 8.544 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.554 -4.243 9.398 1.00 0.00 O ATOM 1007 CG2 THR A 69 -9.869 -6.554 9.385 1.00 0.00 C ATOM 0 H THR A 69 -7.967 -3.741 8.571 1.00 0.00 H new ATOM 0 HA THR A 69 -9.055 -5.882 6.873 1.00 0.00 H new ATOM 0 HB THR A 69 -11.237 -5.635 8.021 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.238 -4.473 10.061 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.640 -6.793 10.118 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.702 -7.416 8.739 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.943 -6.303 9.902 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.459 -4.220 5.556 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.982 -3.225 4.626 1.00 0.00 C ATOM 1017 C TYR A 70 -12.286 -2.627 5.144 1.00 0.00 C ATOM 1018 O TYR A 70 -13.107 -3.321 5.745 1.00 0.00 O ATOM 1019 CB TYR A 70 -11.206 -3.852 3.250 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.926 -4.244 2.548 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -9.012 -3.282 2.136 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.630 -5.578 2.295 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.843 -3.637 1.492 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -8.462 -5.943 1.655 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.572 -4.969 1.255 1.00 0.00 C ATOM 1026 OH TYR A 70 -6.406 -5.325 0.616 1.00 0.00 O ATOM 0 H TYR A 70 -10.679 -5.185 5.309 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.247 -2.425 4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.835 -4.735 3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.753 -3.147 2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.219 -2.239 2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.326 -6.343 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.145 -2.876 1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.247 -6.985 1.469 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.036 -4.545 0.152 1.00 0.00 H new ATOM 1036 N THR A 71 -12.470 -1.332 4.910 1.00 0.00 N ATOM 1037 CA THR A 71 -13.683 -0.643 5.331 1.00 0.00 C ATOM 1038 C THR A 71 -14.512 -0.204 4.131 1.00 0.00 C ATOM 1039 O THR A 71 -15.739 -0.120 4.206 1.00 0.00 O ATOM 1040 CB THR A 71 -13.362 0.588 6.199 1.00 0.00 C ATOM 1041 OG1 THR A 71 -12.621 1.541 5.425 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.543 0.184 7.415 1.00 0.00 C ATOM 0 H THR A 71 -11.793 -0.738 4.430 1.00 0.00 H new ATOM 0 HA THR A 71 -14.257 -1.354 5.925 1.00 0.00 H new ATOM 0 HB THR A 71 -14.299 1.031 6.535 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.883 2.449 5.686 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.325 1.066 8.017 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.107 -0.532 8.012 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.608 -0.272 7.089 1.00 0.00 H new ATOM 1050 N LYS A 72 -13.836 0.078 3.022 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.506 0.552 1.815 1.00 0.00 C ATOM 1052 C LYS A 72 -13.675 0.239 0.575 1.00 0.00 C ATOM 1053 O LYS A 72 -12.466 0.473 0.548 1.00 0.00 O ATOM 1054 CB LYS A 72 -14.774 2.055 1.905 1.00 0.00 C ATOM 1055 CG LYS A 72 -15.615 2.613 0.764 1.00 0.00 C ATOM 1056 CD LYS A 72 -15.958 4.078 0.994 1.00 0.00 C ATOM 1057 CE LYS A 72 -16.879 4.609 -0.093 1.00 0.00 C ATOM 1058 NZ LYS A 72 -17.269 6.024 0.150 1.00 0.00 N ATOM 0 H LYS A 72 -12.824 -0.013 2.934 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.460 0.031 1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.277 2.266 2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.820 2.581 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.073 2.508 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.533 2.033 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.436 4.193 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.042 4.668 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.382 4.531 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.774 3.990 -0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.897 6.347 -0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.766 6.096 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.417 6.620 0.173 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.332 -0.289 -0.454 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.684 -0.514 -1.740 1.00 0.00 C ATOM 1074 C VAL A 73 -14.575 -0.061 -2.890 1.00 0.00 C ATOM 1075 O VAL A 73 -15.721 -0.494 -3.012 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.321 -1.999 -1.938 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.681 -2.213 -3.301 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.388 -2.471 -0.833 1.00 0.00 C ATOM 0 H VAL A 73 -15.312 -0.569 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.768 0.077 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.238 -2.587 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.431 -3.267 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.379 -1.912 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.773 -1.614 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.142 -3.521 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.474 -1.878 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.879 -2.352 0.133 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.041 0.816 -3.736 1.00 0.00 N ATOM 1089 CA VAL A 74 -14.797 1.350 -4.862 1.00 0.00 C ATOM 1090 C VAL A 74 -14.053 1.132 -6.175 1.00 0.00 C ATOM 1091 O VAL A 74 -13.047 1.786 -6.446 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.083 2.854 -4.689 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -15.852 3.391 -5.887 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -15.861 3.103 -3.405 1.00 0.00 C ATOM 0 H VAL A 74 -13.088 1.171 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.744 0.811 -4.889 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.131 3.381 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.046 4.455 -5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.263 3.245 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -16.799 2.859 -5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.055 4.170 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -16.808 2.564 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.278 2.753 -2.553 1.00 0.00 H new ATOM 1104 N GLU A 75 -14.557 0.208 -6.988 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.032 0.008 -8.335 1.00 0.00 C ATOM 1106 C GLU A 75 -12.507 -0.015 -8.326 1.00 0.00 C ATOM 1107 O GLU A 75 -11.863 0.490 -9.245 1.00 0.00 O ATOM 1108 CB GLU A 75 -14.539 1.102 -9.276 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.051 1.130 -9.452 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.471 2.219 -10.399 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.621 2.951 -10.847 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.623 2.251 -10.763 1.00 0.00 O ATOM 0 H GLU A 75 -15.327 -0.413 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.388 -0.957 -8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.212 2.070 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.074 0.968 -10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.393 0.166 -9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.529 1.282 -8.484 1.00 0.00 H new ATOM 1119 N ASN A 76 -11.935 -0.604 -7.280 1.00 0.00 N ATOM 1120 CA ASN A 76 -10.485 -0.692 -7.150 1.00 0.00 C ATOM 1121 C ASN A 76 -9.840 0.678 -7.327 1.00 0.00 C ATOM 1122 O ASN A 76 -8.731 0.792 -7.850 1.00 0.00 O ATOM 1123 CB ASN A 76 -9.898 -1.684 -8.137 1.00 0.00 C ATOM 1124 CG ASN A 76 -10.484 -3.064 -8.030 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -10.349 -3.740 -7.004 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -11.064 -3.518 -9.112 1.00 0.00 N ATOM 0 H ASN A 76 -12.454 -1.027 -6.510 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.268 -1.051 -6.144 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.053 -1.311 -9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.821 -1.744 -7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.429 -4.470 -9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.151 -2.920 -9.934 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.540 1.719 -6.888 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.189 3.086 -7.250 1.00 0.00 C ATOM 1135 C LYS A 77 -10.152 3.983 -6.018 1.00 0.00 C ATOM 1136 O LYS A 77 -9.290 4.855 -5.899 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.180 3.639 -8.277 1.00 0.00 C ATOM 1138 CG LYS A 77 -10.836 5.030 -8.795 1.00 0.00 C ATOM 1139 CD LYS A 77 -11.785 5.457 -9.906 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.544 6.901 -10.316 1.00 0.00 C ATOM 1141 NZ LYS A 77 -10.184 7.099 -10.887 1.00 0.00 N ATOM 0 H LYS A 77 -11.355 1.641 -6.280 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.194 3.073 -7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.231 2.952 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.173 3.667 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.885 5.748 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.811 5.039 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.654 4.805 -10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.816 5.339 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.292 7.199 -11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.671 7.550 -9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.159 7.990 -11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.487 7.139 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.955 6.307 -11.520 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.090 3.764 -5.103 1.00 0.00 N ATOM 1156 CA ARG A 78 -11.058 4.424 -3.802 1.00 0.00 C ATOM 1157 C ARG A 78 -11.231 3.410 -2.675 1.00 0.00 C ATOM 1158 O ARG A 78 -12.312 2.850 -2.491 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.076 5.551 -3.703 1.00 0.00 C ATOM 1160 CG ARG A 78 -11.820 6.728 -4.631 1.00 0.00 C ATOM 1161 CD ARG A 78 -12.814 7.825 -4.517 1.00 0.00 C ATOM 1162 NE ARG A 78 -12.478 9.023 -5.270 1.00 0.00 N ATOM 1163 CZ ARG A 78 -13.137 10.194 -5.178 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -14.188 10.321 -4.397 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -12.714 11.209 -5.912 1.00 0.00 N ATOM 0 H ARG A 78 -11.882 3.135 -5.238 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.076 4.884 -3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.066 5.147 -3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.095 5.915 -2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.828 7.130 -4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.810 6.369 -5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.783 7.458 -4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.924 8.091 -3.466 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.688 8.973 -5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.515 9.525 -3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.675 11.215 -4.339 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.909 11.093 -6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.193 12.108 -5.863 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.159 3.181 -1.924 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.106 2.062 -0.991 1.00 0.00 C ATOM 1181 C ILE A 79 -9.624 2.514 0.384 1.00 0.00 C ATOM 1182 O ILE A 79 -8.556 3.110 0.512 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.184 0.941 -1.507 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.705 0.391 -2.838 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -9.071 -0.172 -0.476 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.787 -0.623 -3.481 1.00 0.00 C ATOM 0 H ILE A 79 -9.316 3.755 -1.943 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.121 1.674 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.191 1.358 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.680 -0.068 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.856 1.220 -3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.416 -0.956 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.657 0.229 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.059 -0.588 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.224 -0.966 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.819 -0.163 -3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.656 -1.472 -2.810 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.421 2.223 1.407 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.065 2.581 2.776 1.00 0.00 C ATOM 1200 C GLU A 80 -9.987 1.340 3.661 1.00 0.00 C ATOM 1201 O GLU A 80 -10.824 0.442 3.565 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.074 3.578 3.350 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.720 4.104 4.734 1.00 0.00 C ATOM 1204 CD GLU A 80 -11.847 4.909 5.317 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.873 4.338 5.603 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.647 6.070 5.582 1.00 0.00 O ATOM 0 H GLU A 80 -11.315 1.742 1.315 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.082 3.051 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.162 4.422 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.053 3.100 3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.487 3.269 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.823 4.721 4.673 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.974 1.297 4.521 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.768 0.152 5.401 1.00 0.00 C ATOM 1215 C TYR A 81 -8.158 0.591 6.730 1.00 0.00 C ATOM 1216 O TYR A 81 -7.592 1.677 6.836 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.872 -0.888 4.727 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.507 -0.362 4.339 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -5.449 -0.397 5.236 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -6.280 0.164 3.076 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -4.201 0.083 4.887 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -5.036 0.644 2.716 1.00 0.00 C ATOM 1223 CZ TYR A 81 -3.999 0.602 3.625 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.757 1.080 3.271 1.00 0.00 O ATOM 0 H TYR A 81 -8.284 2.041 4.627 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.740 -0.300 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.746 -1.736 5.400 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.374 -1.262 3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.603 -0.806 6.223 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.090 0.199 2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.389 0.052 5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.876 1.050 1.728 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.784 1.409 2.348 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.281 -0.264 7.739 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.806 0.062 9.078 1.00 0.00 C ATOM 1236 C ALA A 82 -6.825 -0.991 9.584 1.00 0.00 C ATOM 1237 O ALA A 82 -6.981 -2.182 9.310 1.00 0.00 O ATOM 1238 CB ALA A 82 -8.980 0.195 10.035 1.00 0.00 C ATOM 0 H ALA A 82 -8.705 -1.188 7.655 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.281 1.016 9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.611 0.439 11.031 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.643 0.988 9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.528 -0.746 10.071 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.814 -0.544 10.322 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.848 -1.455 10.924 1.00 0.00 C ATOM 1246 C PHE A 83 -4.414 -0.955 12.299 1.00 0.00 C ATOM 1247 O PHE A 83 -4.067 0.213 12.467 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.630 -1.623 10.013 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.947 -0.329 9.669 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -3.337 0.402 8.558 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.916 0.158 10.458 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -2.710 1.591 8.239 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -1.287 1.348 10.142 1.00 0.00 C ATOM 1254 CZ PHE A 83 -1.684 2.064 9.033 1.00 0.00 C ATOM 0 H PHE A 83 -5.643 0.442 10.517 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.329 -2.425 11.047 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.912 -2.284 10.499 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.942 -2.115 9.092 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.140 0.038 7.935 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.601 -0.398 11.329 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.022 2.150 7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.485 1.717 10.764 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.193 2.994 8.785 1.00 0.00 H new ATOM 1264 N GLY A 84 -4.440 -1.850 13.282 1.00 0.00 N ATOM 1265 CA GLY A 84 -4.075 -1.474 14.637 1.00 0.00 C ATOM 1266 C GLY A 84 -4.960 -0.377 15.193 1.00 0.00 C ATOM 1267 O GLY A 84 -6.182 -0.526 15.250 1.00 0.00 O ATOM 0 H GLY A 84 -4.707 -2.828 13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.138 -2.350 15.283 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.037 -1.141 14.651 1.00 0.00 H new ATOM 1271 N ASP A 85 -4.346 0.726 15.604 1.00 0.00 N ATOM 1272 CA ASP A 85 -5.093 1.907 16.021 1.00 0.00 C ATOM 1273 C ASP A 85 -4.913 3.045 15.020 1.00 0.00 C ATOM 1274 O ASP A 85 -5.054 4.217 15.367 1.00 0.00 O ATOM 1275 CB ASP A 85 -4.654 2.356 17.416 1.00 0.00 C ATOM 1276 CG ASP A 85 -3.176 2.710 17.527 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -2.463 2.501 16.575 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -2.806 3.327 18.497 1.00 0.00 O ATOM 0 H ASP A 85 -3.332 0.828 15.658 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.150 1.643 16.055 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.246 3.223 17.708 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.879 1.562 18.128 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.601 2.690 13.779 1.00 0.00 N ATOM 1284 CA ARG A 86 -4.427 3.680 12.721 1.00 0.00 C ATOM 1285 C ARG A 86 -5.163 3.257 11.454 1.00 0.00 C ATOM 1286 O ARG A 86 -5.583 2.107 11.320 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.961 3.976 12.444 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.207 4.613 13.601 1.00 0.00 C ATOM 1289 CD ARG A 86 -2.626 6.003 13.915 1.00 0.00 C ATOM 1290 NE ARG A 86 -1.841 6.649 14.953 1.00 0.00 N ATOM 1291 CZ ARG A 86 -2.071 6.530 16.275 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -3.084 5.821 16.723 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -1.266 7.163 17.110 1.00 0.00 N ATOM 0 H ARG A 86 -4.463 1.725 13.480 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.870 4.611 13.073 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.462 3.045 12.173 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.896 4.636 11.579 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.341 3.996 14.490 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.142 4.611 13.370 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.565 6.601 13.006 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.672 5.993 14.221 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.059 7.235 14.660 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.708 5.352 16.067 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.245 5.740 17.727 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.494 7.724 16.748 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.416 7.091 18.116 1.00 0.00 H new ATOM 1307 N THR A 87 -5.317 4.195 10.524 1.00 0.00 N ATOM 1308 CA THR A 87 -6.023 3.926 9.277 1.00 0.00 C ATOM 1309 C THR A 87 -5.247 4.468 8.081 1.00 0.00 C ATOM 1310 O THR A 87 -4.381 5.328 8.229 1.00 0.00 O ATOM 1311 CB THR A 87 -7.435 4.538 9.283 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.340 5.967 9.342 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.228 4.037 10.480 1.00 0.00 C ATOM 0 H THR A 87 -4.962 5.147 10.611 1.00 0.00 H new ATOM 0 HA THR A 87 -6.110 2.843 9.190 1.00 0.00 H new ATOM 0 HB THR A 87 -7.948 4.239 8.369 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.240 6.355 9.344 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.224 4.480 10.468 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.313 2.951 10.431 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.716 4.320 11.400 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.567 3.957 6.895 1.00 0.00 N ATOM 1322 CA ALA A 88 -4.988 4.474 5.661 1.00 0.00 C ATOM 1323 C ALA A 88 -5.940 4.281 4.486 1.00 0.00 C ATOM 1324 O ALA A 88 -6.755 3.358 4.477 1.00 0.00 O ATOM 1325 CB ALA A 88 -3.654 3.798 5.380 1.00 0.00 C ATOM 0 H ALA A 88 -6.223 3.187 6.764 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.820 5.544 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.233 4.194 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.967 3.992 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.805 2.723 5.279 1.00 0.00 H new ATOM 1331 N LYS A 89 -5.834 5.160 3.494 1.00 0.00 N ATOM 1332 CA LYS A 89 -6.725 5.123 2.341 1.00 0.00 C ATOM 1333 C LYS A 89 -5.941 5.287 1.042 1.00 0.00 C ATOM 1334 O LYS A 89 -5.116 6.191 0.914 1.00 0.00 O ATOM 1335 CB LYS A 89 -7.794 6.210 2.453 1.00 0.00 C ATOM 1336 CG LYS A 89 -8.859 6.162 1.365 1.00 0.00 C ATOM 1337 CD LYS A 89 -9.924 7.225 1.584 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.008 7.152 0.520 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.089 8.147 0.755 1.00 0.00 N ATOM 0 H LYS A 89 -5.139 5.906 3.466 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.216 4.150 2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.281 6.125 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.307 7.185 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.393 6.307 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.324 5.176 1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.371 7.097 2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.463 8.213 1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.565 7.323 -0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.435 6.149 0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.807 8.063 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.530 7.969 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.687 9.106 0.743 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.206 4.409 0.081 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.536 4.466 -1.213 1.00 0.00 C ATOM 1355 C VAL A 90 -6.500 4.896 -2.313 1.00 0.00 C ATOM 1356 O VAL A 90 -7.587 4.337 -2.452 1.00 0.00 O ATOM 1357 CB VAL A 90 -4.917 3.107 -1.590 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.205 3.200 -2.932 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -3.953 2.642 -0.509 1.00 0.00 C ATOM 0 H VAL A 90 -6.880 3.649 0.174 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.739 5.204 -1.122 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.720 2.375 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.773 2.231 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.919 3.490 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.412 3.946 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.525 1.680 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.154 3.375 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.488 2.537 0.435 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.093 5.894 -3.092 1.00 0.00 N ATOM 1370 CA GLU A 91 -6.925 6.403 -4.176 1.00 0.00 C ATOM 1371 C GLU A 91 -6.171 6.370 -5.502 1.00 0.00 C ATOM 1372 O GLU A 91 -4.959 6.578 -5.545 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.394 7.828 -3.869 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.318 7.940 -2.665 1.00 0.00 C ATOM 1375 CD GLU A 91 -8.768 9.358 -2.453 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.362 10.210 -3.206 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -9.606 9.574 -1.609 1.00 0.00 O ATOM 0 H GLU A 91 -5.194 6.365 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.799 5.758 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.520 8.457 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.908 8.225 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.187 7.298 -2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.803 7.583 -1.774 1.00 0.00 H new ATOM 1384 N PHE A 92 -6.898 6.106 -6.582 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.293 6.004 -7.904 1.00 0.00 C ATOM 1386 C PHE A 92 -6.872 7.051 -8.851 1.00 0.00 C ATOM 1387 O PHE A 92 -8.090 7.200 -8.962 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.497 4.601 -8.479 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.785 3.523 -7.712 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -4.485 3.166 -8.033 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -6.415 2.865 -6.666 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -3.829 2.173 -7.329 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -5.762 1.873 -5.960 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.469 1.527 -6.291 1.00 0.00 C ATOM 0 H PHE A 92 -7.907 5.959 -6.568 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.224 6.189 -7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.564 4.377 -8.497 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.151 4.588 -9.513 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.978 3.669 -8.843 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.427 3.131 -6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.817 1.903 -7.591 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.265 1.368 -5.148 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.958 0.752 -5.739 1.00 0.00 H new ATOM 1404 N LEU A 93 -5.991 7.777 -9.531 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.414 8.775 -10.508 1.00 0.00 C ATOM 1406 C LEU A 93 -5.839 8.468 -11.886 1.00 0.00 C ATOM 1407 O LEU A 93 -4.639 8.236 -12.031 1.00 0.00 O ATOM 1408 CB LEU A 93 -5.989 10.178 -10.052 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.245 11.299 -11.067 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -7.742 11.503 -11.255 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -5.584 12.582 -10.585 1.00 0.00 C ATOM 0 H LEU A 93 -4.980 7.693 -9.424 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.501 8.742 -10.580 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.516 10.418 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.925 10.159 -9.816 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.815 11.022 -12.029 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.913 12.301 -11.978 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.192 10.580 -11.621 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.195 11.774 -10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.766 13.378 -11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.001 12.865 -9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.510 12.422 -10.484 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.703 8.470 -12.896 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.271 8.239 -14.270 1.00 0.00 C ATOM 1425 C GLU A 94 -5.715 9.519 -14.887 1.00 0.00 C ATOM 1426 O GLU A 94 -6.412 10.528 -14.987 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.432 7.707 -15.115 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.062 7.381 -16.555 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.253 6.879 -17.323 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.315 6.804 -16.755 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.127 6.675 -18.508 1.00 0.00 O ATOM 0 H GLU A 94 -7.705 8.629 -12.789 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.478 7.492 -14.254 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.828 6.809 -14.642 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.233 8.446 -15.117 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.662 8.271 -17.041 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.274 6.628 -16.569 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.452 9.469 -15.301 1.00 0.00 N ATOM 1439 CA ALA A 95 -3.827 10.594 -15.985 1.00 0.00 C ATOM 1440 C ALA A 95 -3.548 10.260 -17.447 1.00 0.00 C ATOM 1441 O ALA A 95 -3.476 9.097 -17.841 1.00 0.00 O ATOM 1442 CB ALA A 95 -2.540 10.993 -15.278 1.00 0.00 C ATOM 0 H ALA A 95 -3.842 8.661 -15.174 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.520 11.435 -15.957 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.084 11.834 -15.800 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.763 11.281 -14.251 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.849 10.150 -15.276 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.389 11.306 -18.273 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.086 11.149 -19.698 1.00 0.00 C ATOM 1450 C PRO A 96 -1.692 10.581 -19.935 1.00 0.00 C ATOM 1451 O PRO A 96 -1.441 9.929 -20.949 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.225 12.567 -20.262 1.00 0.00 C ATOM 1453 CG PRO A 96 -2.967 13.457 -19.096 1.00 0.00 C ATOM 1454 CD PRO A 96 -3.546 12.737 -17.907 1.00 0.00 C ATOM 0 HA PRO A 96 -3.753 10.436 -20.183 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.510 12.747 -21.065 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.219 12.734 -20.677 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.899 13.635 -18.966 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.438 14.431 -19.233 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.011 12.980 -16.989 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.591 13.000 -17.746 1.00 0.00 H new ATOM 1462 N GLN A 97 -0.787 10.831 -18.994 1.00 0.00 N ATOM 1463 CA GLN A 97 0.595 10.390 -19.125 1.00 0.00 C ATOM 1464 C GLN A 97 0.834 9.104 -18.340 1.00 0.00 C ATOM 1465 O GLN A 97 1.818 8.401 -18.565 1.00 0.00 O ATOM 1466 CB GLN A 97 1.556 11.479 -18.643 1.00 0.00 C ATOM 1467 CG GLN A 97 1.450 12.787 -19.409 1.00 0.00 C ATOM 1468 CD GLN A 97 1.725 12.614 -20.891 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.709 11.983 -21.284 1.00 0.00 O ATOM 1470 NE2 GLN A 97 0.856 13.178 -21.722 1.00 0.00 N ATOM 0 H GLN A 97 -0.987 11.338 -18.132 1.00 0.00 H new ATOM 0 HA GLN A 97 0.783 10.193 -20.180 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.367 11.673 -17.587 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.578 11.107 -18.721 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.452 13.204 -19.274 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.155 13.507 -18.993 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.056 13.691 -21.352 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.989 13.098 -22.730 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.075 8.805 -17.416 1.00 0.00 N ATOM 1480 CA GLY A 98 0.108 7.660 -16.542 1.00 0.00 C ATOM 1481 C GLY A 98 -1.022 7.509 -15.543 1.00 0.00 C ATOM 1482 O GLY A 98 -2.082 8.114 -15.697 1.00 0.00 O ATOM 0 H GLY A 98 -0.933 9.334 -17.257 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.180 6.754 -17.144 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.052 7.762 -16.006 1.00 0.00 H new ATOM 1486 N VAL A 99 -0.795 6.698 -14.513 1.00 0.00 N ATOM 1487 CA VAL A 99 -1.751 6.563 -13.422 1.00 0.00 C ATOM 1488 C VAL A 99 -1.166 7.079 -12.111 1.00 0.00 C ATOM 1489 O VAL A 99 -0.083 6.664 -11.697 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.194 5.099 -13.236 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.200 4.987 -12.100 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -2.785 4.553 -14.526 1.00 0.00 C ATOM 0 H VAL A 99 0.043 6.125 -14.413 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.621 7.163 -13.689 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.317 4.504 -12.980 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.502 3.946 -11.983 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.744 5.339 -11.175 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.075 5.595 -12.328 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.092 3.518 -14.376 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.651 5.151 -14.811 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.036 4.598 -15.317 1.00 0.00 H new ATOM 1502 N THR A 100 -1.889 7.986 -11.462 1.00 0.00 N ATOM 1503 CA THR A 100 -1.409 8.611 -10.237 1.00 0.00 C ATOM 1504 C THR A 100 -2.017 7.949 -9.007 1.00 0.00 C ATOM 1505 O THR A 100 -3.238 7.862 -8.875 1.00 0.00 O ATOM 1506 CB THR A 100 -1.730 10.117 -10.209 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.049 10.774 -11.286 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.292 10.731 -8.888 1.00 0.00 C ATOM 0 H THR A 100 -2.810 8.304 -11.765 1.00 0.00 H new ATOM 0 HA THR A 100 -0.327 8.479 -10.219 1.00 0.00 H new ATOM 0 HB THR A 100 -2.807 10.246 -10.319 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.081 10.727 -11.138 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.527 11.795 -8.886 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.817 10.242 -8.068 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.218 10.596 -8.762 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.157 7.480 -8.107 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.608 6.770 -6.915 1.00 0.00 C ATOM 1518 C VAL A 101 -1.323 7.579 -5.655 1.00 0.00 C ATOM 1519 O VAL A 101 -0.178 7.941 -5.383 1.00 0.00 O ATOM 1520 CB VAL A 101 -0.937 5.389 -6.791 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.464 4.650 -5.570 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.170 4.568 -8.051 1.00 0.00 C ATOM 0 H VAL A 101 -0.145 7.579 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.684 6.630 -7.019 1.00 0.00 H new ATOM 0 HB VAL A 101 0.136 5.537 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.980 3.676 -5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.249 5.230 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.541 4.513 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.689 3.596 -7.946 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.241 4.429 -8.202 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.748 5.091 -8.909 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.372 7.860 -4.888 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.244 8.671 -3.684 1.00 0.00 C ATOM 1534 C ARG A 102 -2.641 7.873 -2.445 1.00 0.00 C ATOM 1535 O ARG A 102 -3.730 7.301 -2.387 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.019 9.976 -3.784 1.00 0.00 C ATOM 1537 CG ARG A 102 -2.887 10.892 -2.578 1.00 0.00 C ATOM 1538 CD ARG A 102 -3.636 12.170 -2.696 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.148 13.061 -3.736 1.00 0.00 N ATOM 1540 CZ ARG A 102 -3.819 14.132 -4.203 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.019 14.428 -3.754 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.247 14.866 -5.142 1.00 0.00 N ATOM 0 H ARG A 102 -3.320 7.537 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.193 8.942 -3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.683 10.515 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.074 9.745 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.236 10.360 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.832 11.116 -2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.685 11.945 -2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.594 12.691 -1.739 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.233 12.861 -4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.456 13.843 -3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.513 15.243 -4.118 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.323 14.615 -5.493 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.730 15.683 -5.516 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.752 7.839 -1.458 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.011 7.111 -0.222 1.00 0.00 C ATOM 1558 C VAL A 103 -1.901 8.030 0.991 1.00 0.00 C ATOM 1559 O VAL A 103 -0.867 8.659 1.215 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.038 5.929 -0.049 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.369 5.147 1.213 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.083 5.018 -1.266 1.00 0.00 C ATOM 0 H VAL A 103 -0.846 8.307 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.028 6.725 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.028 6.327 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.672 4.316 1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.287 5.803 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.386 4.761 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.389 4.189 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.093 4.629 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.799 5.583 -2.154 1.00 0.00 H new ATOM 1572 N SER A 104 -2.976 8.103 1.769 1.00 0.00 N ATOM 1573 CA SER A 104 -3.002 8.949 2.957 1.00 0.00 C ATOM 1574 C SER A 104 -3.320 8.126 4.202 1.00 0.00 C ATOM 1575 O SER A 104 -4.242 7.311 4.205 1.00 0.00 O ATOM 1576 CB SER A 104 -4.016 10.063 2.784 1.00 0.00 C ATOM 1577 OG SER A 104 -4.020 10.945 3.873 1.00 0.00 O ATOM 0 H SER A 104 -3.839 7.587 1.599 1.00 0.00 H new ATOM 0 HA SER A 104 -2.014 9.391 3.086 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.795 10.616 1.871 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.010 9.632 2.663 1.00 0.00 H new ATOM 0 HG SER A 104 -3.424 11.700 3.685 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.546 8.343 5.261 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.665 7.542 6.473 1.00 0.00 C ATOM 1585 C PHE A 105 -2.468 8.405 7.717 1.00 0.00 C ATOM 1586 O PHE A 105 -1.928 9.506 7.642 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.652 6.396 6.459 1.00 0.00 C ATOM 1588 CG PHE A 105 -0.224 6.847 6.575 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.475 7.282 5.459 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.423 6.839 7.803 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.789 7.697 5.565 1.00 0.00 C ATOM 1592 CE2 PHE A 105 1.737 7.255 7.911 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.420 7.683 6.793 1.00 0.00 C ATOM 0 H PHE A 105 -1.829 9.068 5.304 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.670 7.121 6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.876 5.716 7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.771 5.830 5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.013 7.297 4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.106 6.504 8.683 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.322 8.032 4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.229 7.245 8.872 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.447 8.007 6.877 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.914 7.893 8.861 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.756 8.599 10.127 1.00 0.00 C ATOM 1605 C VAL A 106 -1.405 8.292 10.762 1.00 0.00 C ATOM 1606 O VAL A 106 -0.994 7.136 10.844 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.875 8.235 11.120 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -3.681 8.977 12.434 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -5.239 8.553 10.527 1.00 0.00 C ATOM 0 H VAL A 106 -3.387 6.993 8.936 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.815 9.664 9.904 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.826 7.164 11.316 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.480 8.709 13.125 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -2.719 8.703 12.868 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.704 10.051 12.252 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.017 8.289 11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.299 9.618 10.302 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.380 7.980 9.610 1.00 0.00 H new ATOM 1619 N ALA A 107 -0.718 9.339 11.210 1.00 0.00 N ATOM 1620 CA ALA A 107 0.639 9.198 11.724 1.00 0.00 C ATOM 1621 C ALA A 107 0.641 8.505 13.083 1.00 0.00 C ATOM 1622 O ALA A 107 -0.257 8.714 13.897 1.00 0.00 O ATOM 1623 CB ALA A 107 1.310 10.560 11.823 1.00 0.00 C ATOM 0 H ALA A 107 -1.079 10.293 11.227 1.00 0.00 H new ATOM 0 HA ALA A 107 1.203 8.577 11.028 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.323 10.440 12.208 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.350 11.019 10.835 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.739 11.199 12.497 1.00 0.00 H new ATOM 1629 N GLU A 108 1.656 7.680 13.319 1.00 0.00 N ATOM 1630 CA GLU A 108 1.849 7.063 14.627 1.00 0.00 C ATOM 1631 C GLU A 108 2.631 7.988 15.554 1.00 0.00 C ATOM 1632 O GLU A 108 3.737 8.423 15.230 1.00 0.00 O ATOM 1633 CB GLU A 108 2.572 5.722 14.485 1.00 0.00 C ATOM 1634 CG GLU A 108 2.745 4.960 15.792 1.00 0.00 C ATOM 1635 CD GLU A 108 1.415 4.634 16.413 1.00 0.00 C ATOM 1636 OE1 GLU A 108 0.609 4.020 15.756 1.00 0.00 O ATOM 1637 OE2 GLU A 108 1.246 4.898 17.580 1.00 0.00 O ATOM 0 H GLU A 108 2.356 7.423 12.623 1.00 0.00 H new ATOM 0 HA GLU A 108 0.867 6.887 15.066 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.018 5.097 13.784 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.555 5.897 14.048 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.299 4.039 15.608 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.337 5.555 16.487 1.00 0.00 H new ATOM 1644 N THR A 109 2.048 8.288 16.711 1.00 0.00 N ATOM 1645 CA THR A 109 2.627 9.259 17.631 1.00 0.00 C ATOM 1646 C THR A 109 3.918 8.733 18.246 1.00 0.00 C ATOM 1647 O THR A 109 4.747 9.505 18.725 1.00 0.00 O ATOM 1648 CB THR A 109 1.644 9.625 18.758 1.00 0.00 C ATOM 1649 OG1 THR A 109 1.293 8.445 19.491 1.00 0.00 O ATOM 1650 CG2 THR A 109 0.384 10.255 18.184 1.00 0.00 C ATOM 0 H THR A 109 1.174 7.872 17.033 1.00 0.00 H new ATOM 0 HA THR A 109 2.845 10.154 17.048 1.00 0.00 H new ATOM 0 HB THR A 109 2.126 10.343 19.421 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.669 8.680 20.209 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.299 10.507 18.995 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.647 11.160 17.637 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.100 9.550 17.508 1.00 0.00 H new ATOM 1658 N GLU A 110 4.081 7.414 18.228 1.00 0.00 N ATOM 1659 CA GLU A 110 5.280 6.785 18.773 1.00 0.00 C ATOM 1660 C GLU A 110 6.482 7.028 17.866 1.00 0.00 C ATOM 1661 O GLU A 110 7.628 6.848 18.275 1.00 0.00 O ATOM 1662 CB GLU A 110 5.058 5.284 18.968 1.00 0.00 C ATOM 1663 CG GLU A 110 4.053 4.932 20.054 1.00 0.00 C ATOM 1664 CD GLU A 110 3.833 3.447 20.136 1.00 0.00 C ATOM 1665 OE1 GLU A 110 4.422 2.735 19.357 1.00 0.00 O ATOM 1666 OE2 GLU A 110 3.165 3.013 21.045 1.00 0.00 O ATOM 0 H GLU A 110 3.399 6.760 17.843 1.00 0.00 H new ATOM 0 HA GLU A 110 5.486 7.236 19.744 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.721 4.854 18.025 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.013 4.816 19.208 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.409 5.302 21.015 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.106 5.431 19.851 1.00 0.00 H new ATOM 1673 N TYR A 111 6.210 7.437 16.631 1.00 0.00 N ATOM 1674 CA TYR A 111 7.270 7.715 15.668 1.00 0.00 C ATOM 1675 C TYR A 111 7.128 9.120 15.093 1.00 0.00 C ATOM 1676 O TYR A 111 6.030 9.669 14.992 1.00 0.00 O ATOM 1677 CB TYR A 111 7.257 6.679 14.542 1.00 0.00 C ATOM 1678 CG TYR A 111 7.567 5.271 15.001 1.00 0.00 C ATOM 1679 CD1 TYR A 111 6.555 4.417 15.414 1.00 0.00 C ATOM 1680 CD2 TYR A 111 8.871 4.800 15.018 1.00 0.00 C ATOM 1681 CE1 TYR A 111 6.832 3.130 15.833 1.00 0.00 C ATOM 1682 CE2 TYR A 111 9.160 3.515 15.436 1.00 0.00 C ATOM 1683 CZ TYR A 111 8.137 2.683 15.843 1.00 0.00 C ATOM 1684 OH TYR A 111 8.419 1.402 16.259 1.00 0.00 O ATOM 0 H TYR A 111 5.266 7.583 16.274 1.00 0.00 H new ATOM 0 HA TYR A 111 8.225 7.653 16.190 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.277 6.688 14.065 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.983 6.972 13.784 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.532 4.764 15.408 1.00 0.00 H new ATOM 0 HD2 TYR A 111 9.674 5.448 14.699 1.00 0.00 H new ATOM 0 HE1 TYR A 111 6.032 2.478 16.151 1.00 0.00 H new ATOM 0 HE2 TYR A 111 10.181 3.164 15.444 1.00 0.00 H new ATOM 0 HH TYR A 111 9.385 1.245 16.204 1.00 0.00 H new ATOM 1694 N PRO A 112 8.263 9.717 14.704 1.00 0.00 N ATOM 1695 CA PRO A 112 8.287 11.044 14.079 1.00 0.00 C ATOM 1696 C PRO A 112 7.625 11.051 12.706 1.00 0.00 C ATOM 1697 O PRO A 112 7.667 10.057 11.981 1.00 0.00 O ATOM 1698 CB PRO A 112 9.779 11.383 13.993 1.00 0.00 C ATOM 1699 CG PRO A 112 10.460 10.058 13.972 1.00 0.00 C ATOM 1700 CD PRO A 112 9.632 9.168 14.860 1.00 0.00 C ATOM 0 HA PRO A 112 7.721 11.778 14.653 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.004 11.960 13.096 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.100 11.981 14.846 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.514 9.660 12.959 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.483 10.136 14.339 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.686 8.125 14.548 1.00 0.00 H new ATOM 0 HD3 PRO A 112 9.967 9.209 15.896 1.00 0.00 H new ATOM 1708 N VAL A 113 7.012 12.178 12.355 1.00 0.00 N ATOM 1709 CA VAL A 113 6.303 12.300 11.088 1.00 0.00 C ATOM 1710 C VAL A 113 7.197 11.904 9.918 1.00 0.00 C ATOM 1711 O VAL A 113 6.756 11.234 8.986 1.00 0.00 O ATOM 1712 CB VAL A 113 5.785 13.733 10.866 1.00 0.00 C ATOM 1713 CG1 VAL A 113 5.260 13.896 9.447 1.00 0.00 C ATOM 1714 CG2 VAL A 113 4.699 14.070 11.877 1.00 0.00 C ATOM 0 H VAL A 113 6.993 13.019 12.931 1.00 0.00 H new ATOM 0 HA VAL A 113 5.452 11.621 11.136 1.00 0.00 H new ATOM 0 HB VAL A 113 6.615 14.425 11.008 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.898 14.915 9.308 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.062 13.696 8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.443 13.194 9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.345 15.086 11.705 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.869 13.373 11.765 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.104 13.993 12.886 1.00 0.00 H new ATOM 1724 N GLU A 114 8.457 12.325 9.975 1.00 0.00 N ATOM 1725 CA GLU A 114 9.404 12.048 8.901 1.00 0.00 C ATOM 1726 C GLU A 114 9.549 10.545 8.676 1.00 0.00 C ATOM 1727 O GLU A 114 9.556 10.075 7.540 1.00 0.00 O ATOM 1728 CB GLU A 114 10.766 12.671 9.213 1.00 0.00 C ATOM 1729 CG GLU A 114 11.814 12.466 8.128 1.00 0.00 C ATOM 1730 CD GLU A 114 13.109 13.140 8.485 1.00 0.00 C ATOM 1731 OE1 GLU A 114 13.172 13.752 9.524 1.00 0.00 O ATOM 1732 OE2 GLU A 114 14.069 12.951 7.777 1.00 0.00 O ATOM 0 H GLU A 114 8.845 12.859 10.753 1.00 0.00 H new ATOM 0 HA GLU A 114 9.016 12.495 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.634 13.741 9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.140 12.250 10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.985 11.400 7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 114 11.444 12.862 7.182 1.00 0.00 H new ATOM 1739 N GLN A 115 9.666 9.799 9.770 1.00 0.00 N ATOM 1740 CA GLN A 115 9.940 8.368 9.694 1.00 0.00 C ATOM 1741 C GLN A 115 8.774 7.625 9.051 1.00 0.00 C ATOM 1742 O GLN A 115 8.974 6.730 8.229 1.00 0.00 O ATOM 1743 CB GLN A 115 10.215 7.798 11.087 1.00 0.00 C ATOM 1744 CG GLN A 115 10.565 6.319 11.097 1.00 0.00 C ATOM 1745 CD GLN A 115 11.846 6.023 10.343 1.00 0.00 C ATOM 1746 OE1 GLN A 115 12.856 6.712 10.512 1.00 0.00 O ATOM 1747 NE2 GLN A 115 11.813 4.996 9.502 1.00 0.00 N ATOM 0 H GLN A 115 9.575 10.161 10.719 1.00 0.00 H new ATOM 0 HA GLN A 115 10.826 8.229 9.074 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.034 8.357 11.541 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.336 7.956 11.712 1.00 0.00 H new ATOM 0 HG2 GLN A 115 10.667 5.980 12.128 1.00 0.00 H new ATOM 0 HG3 GLN A 115 9.746 5.752 10.654 1.00 0.00 H new ATOM 0 HE21 GLN A 115 10.956 4.453 9.393 1.00 0.00 H new ATOM 0 HE22 GLN A 115 12.644 4.750 8.965 1.00 0.00 H new ATOM 1756 N GLN A 116 7.557 8.000 9.430 1.00 0.00 N ATOM 1757 CA GLN A 116 6.360 7.365 8.895 1.00 0.00 C ATOM 1758 C GLN A 116 6.142 7.754 7.436 1.00 0.00 C ATOM 1759 O GLN A 116 5.751 6.925 6.615 1.00 0.00 O ATOM 1760 CB GLN A 116 5.131 7.747 9.724 1.00 0.00 C ATOM 1761 CG GLN A 116 5.105 7.141 11.116 1.00 0.00 C ATOM 1762 CD GLN A 116 5.046 5.625 11.085 1.00 0.00 C ATOM 1763 OE1 GLN A 116 4.152 5.037 10.470 1.00 0.00 O ATOM 1764 NE2 GLN A 116 5.998 4.984 11.754 1.00 0.00 N ATOM 0 H GLN A 116 7.374 8.741 10.106 1.00 0.00 H new ATOM 0 HA GLN A 116 6.502 6.286 8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.089 8.833 9.812 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.234 7.436 9.188 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.993 7.456 11.663 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.242 7.525 11.660 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.718 5.512 12.248 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.009 3.964 11.773 1.00 0.00 H new ATOM 1773 N GLN A 117 6.399 9.020 7.124 1.00 0.00 N ATOM 1774 CA GLN A 117 6.302 9.501 5.750 1.00 0.00 C ATOM 1775 C GLN A 117 7.290 8.770 4.847 1.00 0.00 C ATOM 1776 O GLN A 117 6.937 8.329 3.755 1.00 0.00 O ATOM 1777 CB GLN A 117 6.558 11.009 5.689 1.00 0.00 C ATOM 1778 CG GLN A 117 6.455 11.602 4.294 1.00 0.00 C ATOM 1779 CD GLN A 117 6.688 13.101 4.284 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.985 13.704 5.318 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.549 13.713 3.113 1.00 0.00 N ATOM 0 H GLN A 117 6.675 9.730 7.802 1.00 0.00 H new ATOM 0 HA GLN A 117 5.291 9.299 5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.844 11.514 6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.552 11.214 6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.184 11.120 3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.468 11.388 3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.302 13.175 2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.689 14.721 3.045 1.00 0.00 H new ATOM 1790 N GLN A 118 8.530 8.649 5.311 1.00 0.00 N ATOM 1791 CA GLN A 118 9.567 7.966 4.547 1.00 0.00 C ATOM 1792 C GLN A 118 9.269 6.474 4.439 1.00 0.00 C ATOM 1793 O GLN A 118 9.558 5.845 3.422 1.00 0.00 O ATOM 1794 CB GLN A 118 10.939 8.177 5.195 1.00 0.00 C ATOM 1795 CG GLN A 118 11.465 9.597 5.090 1.00 0.00 C ATOM 1796 CD GLN A 118 11.662 10.036 3.650 1.00 0.00 C ATOM 1797 OE1 GLN A 118 12.210 9.295 2.829 1.00 0.00 O ATOM 1798 NE2 GLN A 118 11.219 11.249 3.337 1.00 0.00 N ATOM 0 H GLN A 118 8.840 9.015 6.211 1.00 0.00 H new ATOM 0 HA GLN A 118 9.580 8.392 3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 118 10.877 7.901 6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.656 7.501 4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 118 10.769 10.277 5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.413 9.671 5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 118 10.772 11.828 4.048 1.00 0.00 H new ATOM 0 HE22 GLN A 118 11.326 11.601 2.386 1.00 0.00 H new ATOM 1807 N GLY A 119 8.691 5.913 5.497 1.00 0.00 N ATOM 1808 CA GLY A 119 8.335 4.507 5.488 1.00 0.00 C ATOM 1809 C GLY A 119 7.311 4.174 4.421 1.00 0.00 C ATOM 1810 O GLY A 119 7.460 3.194 3.692 1.00 0.00 O ATOM 0 H GLY A 119 8.463 6.407 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.232 3.910 5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 119 7.940 4.229 6.465 1.00 0.00 H new ATOM 1814 N TRP A 120 6.268 4.992 4.330 1.00 0.00 N ATOM 1815 CA TRP A 120 5.250 4.821 3.300 1.00 0.00 C ATOM 1816 C TRP A 120 5.807 5.156 1.922 1.00 0.00 C ATOM 1817 O TRP A 120 5.434 4.541 0.924 1.00 0.00 O ATOM 1818 CB TRP A 120 4.037 5.703 3.602 1.00 0.00 C ATOM 1819 CG TRP A 120 2.847 4.931 4.088 1.00 0.00 C ATOM 1820 CD1 TRP A 120 1.701 4.667 3.392 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.687 4.327 5.375 1.00 0.00 C ATOM 1822 NE1 TRP A 120 0.839 3.934 4.170 1.00 0.00 N ATOM 1823 CE2 TRP A 120 1.419 3.711 5.391 1.00 0.00 C ATOM 1824 CE3 TRP A 120 3.489 4.242 6.515 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 0.939 3.024 6.503 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 3.012 3.561 7.618 1.00 0.00 C ATOM 1827 CH2 TRP A 120 1.747 2.958 7.605 1.00 0.00 C ATOM 0 H TRP A 120 6.105 5.780 4.957 1.00 0.00 H new ATOM 0 HA TRP A 120 4.940 3.776 3.301 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.313 6.443 4.354 1.00 0.00 H new ATOM 0 HB3 TRP A 120 3.762 6.251 2.701 1.00 0.00 H new ATOM 0 HD1 TRP A 120 1.503 4.987 2.380 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -0.084 3.608 3.885 1.00 0.00 H new ATOM 0 HE3 TRP A 120 4.466 4.701 6.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -0.036 2.560 6.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 3.624 3.492 8.505 1.00 0.00 H new ATOM 0 HH2 TRP A 120 1.403 2.431 8.483 1.00 0.00 H new ATOM 1838 N GLN A 121 6.705 6.136 1.874 1.00 0.00 N ATOM 1839 CA GLN A 121 7.366 6.506 0.628 1.00 0.00 C ATOM 1840 C GLN A 121 8.249 5.372 0.122 1.00 0.00 C ATOM 1841 O GLN A 121 8.328 5.120 -1.081 1.00 0.00 O ATOM 1842 CB GLN A 121 8.206 7.771 0.820 1.00 0.00 C ATOM 1843 CG GLN A 121 8.822 8.310 -0.460 1.00 0.00 C ATOM 1844 CD GLN A 121 7.776 8.780 -1.452 1.00 0.00 C ATOM 1845 OE1 GLN A 121 6.904 9.589 -1.121 1.00 0.00 O ATOM 1846 NE2 GLN A 121 7.852 8.272 -2.677 1.00 0.00 N ATOM 0 H GLN A 121 6.991 6.687 2.683 1.00 0.00 H new ATOM 0 HA GLN A 121 6.592 6.703 -0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.580 8.546 1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.003 7.560 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.488 9.138 -0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.433 7.534 -0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.589 7.606 -2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.173 8.548 -3.387 1.00 0.00 H new ATOM 1855 N ALA A 122 8.914 4.688 1.048 1.00 0.00 N ATOM 1856 CA ALA A 122 9.826 3.608 0.693 1.00 0.00 C ATOM 1857 C ALA A 122 9.078 2.454 0.031 1.00 0.00 C ATOM 1858 O ALA A 122 9.524 1.913 -0.981 1.00 0.00 O ATOM 1859 CB ALA A 122 10.570 3.117 1.925 1.00 0.00 C ATOM 0 H ALA A 122 8.838 4.863 2.050 1.00 0.00 H new ATOM 0 HA ALA A 122 10.549 3.998 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.247 2.311 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.143 3.938 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 122 9.854 2.750 2.660 1.00 0.00 H new ATOM 1865 N ILE A 123 7.940 2.083 0.609 1.00 0.00 N ATOM 1866 CA ILE A 123 7.118 1.014 0.059 1.00 0.00 C ATOM 1867 C ILE A 123 6.364 1.483 -1.181 1.00 0.00 C ATOM 1868 O ILE A 123 6.029 0.684 -2.056 1.00 0.00 O ATOM 1869 CB ILE A 123 6.109 0.489 1.096 1.00 0.00 C ATOM 1870 CG1 ILE A 123 5.122 1.591 1.487 1.00 0.00 C ATOM 1871 CG2 ILE A 123 6.835 -0.040 2.324 1.00 0.00 C ATOM 1872 CD1 ILE A 123 3.991 1.114 2.370 1.00 0.00 C ATOM 0 H ILE A 123 7.567 2.508 1.458 1.00 0.00 H new ATOM 0 HA ILE A 123 7.794 0.205 -0.216 1.00 0.00 H new ATOM 0 HB ILE A 123 5.548 -0.332 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.663 2.384 2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.703 2.028 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.107 -0.407 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.499 -0.854 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.421 0.762 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.334 1.952 2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.424 0.342 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.399 0.704 3.294 1.00 0.00 H new ATOM 1884 N LEU A 124 6.101 2.783 -1.251 1.00 0.00 N ATOM 1885 CA LEU A 124 5.516 3.383 -2.444 1.00 0.00 C ATOM 1886 C LEU A 124 6.519 3.400 -3.594 1.00 0.00 C ATOM 1887 O LEU A 124 6.149 3.236 -4.755 1.00 0.00 O ATOM 1888 CB LEU A 124 5.024 4.804 -2.140 1.00 0.00 C ATOM 1889 CG LEU A 124 4.133 5.432 -3.219 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.857 4.615 -3.381 1.00 0.00 C ATOM 1891 CD2 LEU A 124 3.808 6.868 -2.837 1.00 0.00 C ATOM 0 H LEU A 124 6.284 3.442 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 124 4.664 2.775 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 124 4.472 4.787 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 124 5.891 5.447 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 124 4.661 5.434 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.230 5.068 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.112 3.597 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.315 4.595 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 124 3.175 7.314 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 124 3.284 6.881 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 124 4.732 7.440 -2.752 1.00 0.00 H new ATOM 1903 N ASN A 125 7.790 3.599 -3.260 1.00 0.00 N ATOM 1904 CA ASN A 125 8.855 3.568 -4.256 1.00 0.00 C ATOM 1905 C ASN A 125 8.993 2.176 -4.862 1.00 0.00 C ATOM 1906 O ASN A 125 9.206 2.029 -6.065 1.00 0.00 O ATOM 1907 CB ASN A 125 10.179 4.022 -3.668 1.00 0.00 C ATOM 1908 CG ASN A 125 10.246 5.499 -3.394 1.00 0.00 C ATOM 1909 OD1 ASN A 125 9.460 6.287 -3.933 1.00 0.00 O ATOM 1910 ND2 ASN A 125 11.230 5.886 -2.624 1.00 0.00 N ATOM 0 H ASN A 125 8.107 3.783 -2.308 1.00 0.00 H new ATOM 0 HA ASN A 125 8.581 4.266 -5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.358 3.481 -2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.982 3.752 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 125 11.377 6.879 -2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.851 5.194 -2.203 1.00 0.00 H new ATOM 1917 N ASN A 126 8.872 1.155 -4.019 1.00 0.00 N ATOM 1918 CA ASN A 126 8.866 -0.226 -4.488 1.00 0.00 C ATOM 1919 C ASN A 126 7.615 -0.517 -5.311 1.00 0.00 C ATOM 1920 O ASN A 126 7.667 -1.242 -6.305 1.00 0.00 O ATOM 1921 CB ASN A 126 8.978 -1.206 -3.334 1.00 0.00 C ATOM 1922 CG ASN A 126 10.370 -1.333 -2.781 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.299 -1.763 -3.474 1.00 0.00 O ATOM 1924 ND2 ASN A 126 10.502 -1.038 -1.512 1.00 0.00 N ATOM 0 H ASN A 126 8.777 1.258 -3.009 1.00 0.00 H new ATOM 0 HA ASN A 126 9.740 -0.356 -5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.307 -0.891 -2.535 1.00 0.00 H new ATOM 0 HB3 ASN A 126 8.638 -2.187 -3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.404 -1.160 -1.051 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.703 -0.686 -0.984 1.00 0.00 H new ATOM 1931 N PHE A 127 6.491 0.054 -4.890 1.00 0.00 N ATOM 1932 CA PHE A 127 5.257 -0.023 -5.664 1.00 0.00 C ATOM 1933 C PHE A 127 5.452 0.566 -7.059 1.00 0.00 C ATOM 1934 O PHE A 127 5.050 -0.031 -8.058 1.00 0.00 O ATOM 1935 CB PHE A 127 4.123 0.701 -4.937 1.00 0.00 C ATOM 1936 CG PHE A 127 2.860 0.813 -5.744 1.00 0.00 C ATOM 1937 CD1 PHE A 127 1.890 -0.177 -5.681 1.00 0.00 C ATOM 1938 CD2 PHE A 127 2.640 1.906 -6.568 1.00 0.00 C ATOM 1939 CE1 PHE A 127 0.728 -0.075 -6.423 1.00 0.00 C ATOM 1940 CE2 PHE A 127 1.480 2.012 -7.309 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.523 1.019 -7.236 1.00 0.00 C ATOM 0 H PHE A 127 6.409 0.575 -4.017 1.00 0.00 H new ATOM 0 HA PHE A 127 4.989 -1.074 -5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.904 0.174 -4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.459 1.701 -4.664 1.00 0.00 H new ATOM 0 HD1 PHE A 127 2.044 -1.036 -5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.386 2.685 -6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.019 -0.853 -6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.321 2.870 -7.945 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.385 1.100 -7.815 1.00 0.00 H new ATOM 1951 N LYS A 128 6.071 1.739 -7.117 1.00 0.00 N ATOM 1952 CA LYS A 128 6.315 2.413 -8.387 1.00 0.00 C ATOM 1953 C LYS A 128 7.181 1.553 -9.302 1.00 0.00 C ATOM 1954 O LYS A 128 6.834 1.316 -10.459 1.00 0.00 O ATOM 1955 CB LYS A 128 6.979 3.771 -8.156 1.00 0.00 C ATOM 1956 CG LYS A 128 7.259 4.560 -9.429 1.00 0.00 C ATOM 1957 CD LYS A 128 8.039 5.832 -9.131 1.00 0.00 C ATOM 1958 CE LYS A 128 8.080 6.752 -10.341 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.018 6.258 -11.386 1.00 0.00 N ATOM 0 H LYS A 128 6.413 2.244 -6.299 1.00 0.00 H new ATOM 0 HA LYS A 128 5.353 2.572 -8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.340 4.368 -7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.918 3.617 -7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 128 7.822 3.941 -10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.318 4.814 -9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.581 6.353 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 128 9.055 5.576 -8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.079 6.839 -10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 128 8.381 7.751 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.198 7.015 -12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 9.914 5.974 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 8.598 5.440 -11.871 1.00 0.00 H new ATOM 1973 N ARG A 129 8.310 1.088 -8.776 1.00 0.00 N ATOM 1974 CA ARG A 129 9.275 0.343 -9.574 1.00 0.00 C ATOM 1975 C ARG A 129 8.693 -0.993 -10.026 1.00 0.00 C ATOM 1976 O ARG A 129 8.974 -1.464 -11.128 1.00 0.00 O ATOM 1977 CB ARG A 129 10.601 0.160 -8.850 1.00 0.00 C ATOM 1978 CG ARG A 129 11.443 1.421 -8.728 1.00 0.00 C ATOM 1979 CD ARG A 129 12.728 1.231 -8.006 1.00 0.00 C ATOM 1980 NE ARG A 129 13.562 2.420 -7.940 1.00 0.00 N ATOM 1981 CZ ARG A 129 14.765 2.478 -7.334 1.00 0.00 C ATOM 1982 NH1 ARG A 129 15.259 1.433 -6.708 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.423 3.623 -7.363 1.00 0.00 N ATOM 0 H ARG A 129 8.578 1.215 -7.800 1.00 0.00 H new ATOM 0 HA ARG A 129 9.486 0.936 -10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.402 -0.225 -7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.183 -0.599 -9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 129 11.654 1.801 -9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 129 10.860 2.185 -8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.514 0.895 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.290 0.434 -8.493 1.00 0.00 H new ATOM 0 HE ARG A 129 13.213 3.270 -8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 129 14.731 0.561 -6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 129 16.171 1.494 -6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 129 15.019 4.432 -7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.335 3.698 -6.913 1.00 0.00 H new ATOM 1997 N HIS A 130 7.880 -1.599 -9.167 1.00 0.00 N ATOM 1998 CA HIS A 130 7.272 -2.889 -9.470 1.00 0.00 C ATOM 1999 C HIS A 130 6.222 -2.751 -10.568 1.00 0.00 C ATOM 2000 O HIS A 130 6.274 -3.447 -11.582 1.00 0.00 O ATOM 2001 CB HIS A 130 6.642 -3.501 -8.214 1.00 0.00 C ATOM 2002 CG HIS A 130 5.978 -4.821 -8.456 1.00 0.00 C ATOM 2003 ND1 HIS A 130 6.690 -5.981 -8.679 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.671 -5.165 -8.510 1.00 0.00 C ATOM 2005 CE1 HIS A 130 5.847 -6.983 -8.859 1.00 0.00 C ATOM 2006 NE2 HIS A 130 4.617 -6.514 -8.762 1.00 0.00 N ATOM 0 H HIS A 130 7.627 -1.217 -8.256 1.00 0.00 H new ATOM 0 HA HIS A 130 8.060 -3.554 -9.825 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.414 -3.626 -7.455 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.908 -2.804 -7.810 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.828 -4.503 -8.379 1.00 0.00 H new ATOM 0 HE1 HIS A 130 6.118 -8.010 -9.052 1.00 0.00 H new ATOM 0 HE2 HIS A 130 3.764 -7.065 -8.859 1.00 0.00 H new ATOM 2013 N VAL A 131 5.267 -1.851 -10.356 1.00 0.00 N ATOM 2014 CA VAL A 131 4.114 -1.738 -11.241 1.00 0.00 C ATOM 2015 C VAL A 131 4.499 -1.095 -12.569 1.00 0.00 C ATOM 2016 O VAL A 131 4.088 -1.553 -13.634 1.00 0.00 O ATOM 2017 CB VAL A 131 2.983 -0.917 -10.593 1.00 0.00 C ATOM 2018 CG1 VAL A 131 1.855 -0.684 -11.589 1.00 0.00 C ATOM 2019 CG2 VAL A 131 2.458 -1.620 -9.351 1.00 0.00 C ATOM 0 H VAL A 131 5.269 -1.190 -9.579 1.00 0.00 H new ATOM 0 HA VAL A 131 3.757 -2.752 -11.422 1.00 0.00 H new ATOM 0 HB VAL A 131 3.387 0.051 -10.297 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.065 -0.103 -11.114 1.00 0.00 H new ATOM 0 HG12 VAL A 131 2.238 -0.139 -12.452 1.00 0.00 H new ATOM 0 HG13 VAL A 131 1.454 -1.643 -11.915 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.660 -1.026 -8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.070 -2.601 -9.625 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.267 -1.738 -8.630 1.00 0.00 H new ATOM 2029 N GLU A 132 5.294 -0.031 -12.496 1.00 0.00 N ATOM 2030 CA GLU A 132 5.676 0.719 -13.688 1.00 0.00 C ATOM 2031 C GLU A 132 6.337 -0.194 -14.715 1.00 0.00 C ATOM 2032 O GLU A 132 6.208 0.015 -15.922 1.00 0.00 O ATOM 2033 CB GLU A 132 6.617 1.868 -13.321 1.00 0.00 C ATOM 2034 CG GLU A 132 7.038 2.737 -14.498 1.00 0.00 C ATOM 2035 CD GLU A 132 7.897 3.886 -14.049 1.00 0.00 C ATOM 2036 OE1 GLU A 132 8.197 3.958 -12.883 1.00 0.00 O ATOM 2037 OE2 GLU A 132 8.346 4.629 -14.891 1.00 0.00 O ATOM 0 H GLU A 132 5.685 0.330 -11.626 1.00 0.00 H new ATOM 0 HA GLU A 132 4.770 1.135 -14.129 1.00 0.00 H new ATOM 0 HB2 GLU A 132 6.129 2.497 -12.577 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.510 1.454 -12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 132 7.585 2.133 -15.222 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.152 3.119 -15.006 1.00 0.00 H new ATOM 2044 N SER A 133 7.043 -1.210 -14.230 1.00 0.00 N ATOM 2045 CA SER A 133 7.821 -2.086 -15.100 1.00 0.00 C ATOM 2046 C SER A 133 6.907 -3.012 -15.895 1.00 0.00 C ATOM 2047 O SER A 133 7.365 -3.775 -16.746 1.00 0.00 O ATOM 2048 CB SER A 133 8.812 -2.891 -14.282 1.00 0.00 C ATOM 2049 OG SER A 133 8.174 -3.819 -13.448 1.00 0.00 O ATOM 0 H SER A 133 7.093 -1.448 -13.239 1.00 0.00 H new ATOM 0 HA SER A 133 8.373 -1.467 -15.807 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.494 -3.415 -14.952 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.416 -2.215 -13.677 1.00 0.00 H new ATOM 0 HG SER A 133 7.550 -3.351 -12.855 1.00 0.00 H new ATOM 2055 N HIS A 134 5.610 -2.941 -15.612 1.00 0.00 N ATOM 2056 CA HIS A 134 4.637 -3.813 -16.261 1.00 0.00 C ATOM 2057 C HIS A 134 4.102 -3.174 -17.538 1.00 0.00 C ATOM 2058 O HIS A 134 3.163 -3.682 -18.153 1.00 0.00 O ATOM 2059 CB HIS A 134 3.480 -4.138 -15.310 1.00 0.00 C ATOM 2060 CG HIS A 134 3.901 -4.877 -14.079 1.00 0.00 C ATOM 2061 ND1 HIS A 134 3.104 -4.970 -12.957 1.00 0.00 N ATOM 2062 CD2 HIS A 134 5.035 -5.560 -13.793 1.00 0.00 C ATOM 2063 CE1 HIS A 134 3.731 -5.678 -12.034 1.00 0.00 C ATOM 2064 NE2 HIS A 134 4.904 -6.047 -12.516 1.00 0.00 N ATOM 0 H HIS A 134 5.209 -2.289 -14.938 1.00 0.00 H new ATOM 0 HA HIS A 134 5.143 -4.742 -16.524 1.00 0.00 H new ATOM 0 HB2 HIS A 134 2.992 -3.209 -15.016 1.00 0.00 H new ATOM 0 HB3 HIS A 134 2.739 -4.733 -15.844 1.00 0.00 H new ATOM 0 HD2 HIS A 134 5.884 -5.696 -14.447 1.00 0.00 H new ATOM 0 HE1 HIS A 134 3.349 -5.915 -11.052 1.00 0.00 H new ATOM 0 HE2 HIS A 134 5.600 -6.604 -12.020 1.00 0.00 H new