USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1011 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 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 THR OG1 : rot 157:sc= 1.22 USER MOD Set 2.1: A 30 GLN : amide:sc= 0 X(o=-0.16,f=-0.16) USER MOD Set 2.2: A 128 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.16) USER MOD Set 3.1: A 25 ASN : amide:sc= -0.756 K(o=-1.6,f=-3.8!) USER MOD Set 3.2: A 27 GLN : amide:sc= -0.846 K(o=-1.6,f=-13!) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0523 (180deg=-0.356) USER MOD Single : A 1 MET N :NH3+ -130:sc= -1.49 (180deg=-4.48!) USER MOD Single : A 4 ASN : amide:sc=-0.00816 X(o=-0.0082,f=-0.019) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.5!) USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= 0.343 (180deg=-1.43!) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.406 F(o=-2!,f=-0.41) USER MOD Single : A 32 SER OG : rot 96:sc= -0.343 USER MOD Single : A 36 MET CE :methyl 169:sc= -0.564 (180deg=-1.08) USER MOD Single : A 43 HIS : no HE2:sc= 0.832 K(o=0.83,f=-5.3!) USER MOD Single : A 48 SER OG : rot -9:sc= 0.727 USER MOD Single : A 51 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.97) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 144:sc= -0.307 (180deg=-1.5) USER MOD Single : A 64 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.2) USER MOD Single : A 72 THR OG1 : rot 79:sc= 1.05 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.94 K(o=-0.94,f=-5.5!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00272 USER MOD Single : A 87 CYS SG : rot 70:sc= 0.367 USER MOD Single : A 89 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 99 ASN : amide:sc= -0.917! C(o=-0.92!,f=-2.4!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 111 SER OG : rot 61:sc= 1.3 USER MOD Single : A 120 MET CE :methyl 172:sc= -1.25 (180deg=-1.42) USER MOD Single : A 127 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.2) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 131 HIS : no HD1:sc=-0.00343 X(o=-0.0034,f=-0.0036) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.204 14.714 -37.400 1.00 0.00 N ATOM 2 CA MET A 1 -4.650 13.355 -37.793 1.00 0.00 C ATOM 3 C MET A 1 -3.842 12.275 -37.068 1.00 0.00 C ATOM 4 O MET A 1 -4.424 11.330 -36.542 1.00 0.00 O ATOM 5 CB MET A 1 -4.577 13.163 -39.313 1.00 0.00 C ATOM 6 CG MET A 1 -5.550 14.040 -40.087 1.00 0.00 C ATOM 7 SD MET A 1 -7.272 13.775 -39.610 1.00 0.00 S ATOM 8 CE MET A 1 -7.506 12.070 -40.105 1.00 0.00 C ATOM 0 H1 MET A 1 -5.030 15.287 -37.133 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.554 14.646 -36.591 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.715 15.164 -38.200 1.00 0.00 H new ATOM 0 HA MET A 1 -5.693 13.253 -37.492 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.562 13.377 -39.649 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.777 12.118 -39.548 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.292 15.087 -39.928 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.440 13.842 -41.153 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.570 11.835 -40.109 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.098 11.922 -41.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.992 11.413 -39.403 1.00 0.00 H new ATOM 20 N PRO A 2 -2.493 12.361 -37.040 1.00 0.00 N ATOM 21 CA PRO A 2 -1.697 11.517 -36.149 1.00 0.00 C ATOM 22 C PRO A 2 -1.840 11.970 -34.696 1.00 0.00 C ATOM 23 O PRO A 2 -1.526 13.115 -34.359 1.00 0.00 O ATOM 24 CB PRO A 2 -0.262 11.709 -36.642 1.00 0.00 C ATOM 25 CG PRO A 2 -0.261 13.040 -37.312 1.00 0.00 C ATOM 26 CD PRO A 2 -1.640 13.223 -37.887 1.00 0.00 C ATOM 0 HA PRO A 2 -2.011 10.473 -36.169 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.447 11.683 -35.814 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.027 10.918 -37.334 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.027 13.833 -36.602 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.496 13.081 -38.095 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.956 14.265 -37.844 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.680 12.921 -38.934 1.00 0.00 H new ATOM 34 N LEU A 3 -2.328 11.079 -33.843 1.00 0.00 N ATOM 35 CA LEU A 3 -2.594 11.420 -32.453 1.00 0.00 C ATOM 36 C LEU A 3 -1.346 11.238 -31.603 1.00 0.00 C ATOM 37 O LEU A 3 -0.726 10.172 -31.612 1.00 0.00 O ATOM 38 CB LEU A 3 -3.727 10.559 -31.871 1.00 0.00 C ATOM 39 CG LEU A 3 -5.127 10.790 -32.454 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.277 10.113 -33.808 1.00 0.00 C ATOM 41 CD2 LEU A 3 -6.189 10.288 -31.489 1.00 0.00 C ATOM 0 H LEU A 3 -2.548 10.114 -34.090 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.899 12.466 -32.433 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.467 9.510 -32.013 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.771 10.734 -30.796 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.261 11.862 -32.598 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.279 10.294 -34.196 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.540 10.519 -34.501 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.119 9.040 -33.698 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.178 10.458 -31.915 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.048 9.221 -31.315 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.104 10.824 -30.544 1.00 0.00 H new ATOM 53 N ASN A 4 -0.977 12.275 -30.871 1.00 0.00 N ATOM 54 CA ASN A 4 0.141 12.184 -29.945 1.00 0.00 C ATOM 55 C ASN A 4 -0.346 11.610 -28.622 1.00 0.00 C ATOM 56 O ASN A 4 -1.535 11.691 -28.308 1.00 0.00 O ATOM 57 CB ASN A 4 0.795 13.558 -29.729 1.00 0.00 C ATOM 58 CG ASN A 4 -0.092 14.537 -28.975 1.00 0.00 C ATOM 59 OD1 ASN A 4 -0.906 15.245 -29.572 1.00 0.00 O ATOM 60 ND2 ASN A 4 0.082 14.607 -27.665 1.00 0.00 N ATOM 0 H ASN A 4 -1.433 13.187 -30.899 1.00 0.00 H new ATOM 0 HA ASN A 4 0.897 11.524 -30.370 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.727 13.426 -29.180 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.054 13.985 -30.698 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.468 15.264 -27.112 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.766 14.004 -27.208 1.00 0.00 H new ATOM 67 N GLN A 5 0.559 11.010 -27.863 1.00 0.00 N ATOM 68 CA GLN A 5 0.203 10.424 -26.581 1.00 0.00 C ATOM 69 C GLN A 5 -0.200 11.510 -25.590 1.00 0.00 C ATOM 70 O GLN A 5 0.628 12.315 -25.157 1.00 0.00 O ATOM 71 CB GLN A 5 1.365 9.604 -26.015 1.00 0.00 C ATOM 72 CG GLN A 5 1.028 8.913 -24.702 1.00 0.00 C ATOM 73 CD GLN A 5 2.177 8.088 -24.160 1.00 0.00 C ATOM 74 OE1 GLN A 5 3.006 8.577 -23.393 1.00 0.00 O ATOM 75 NE2 GLN A 5 2.233 6.827 -24.556 1.00 0.00 N ATOM 0 H GLN A 5 1.544 10.917 -28.113 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.646 9.759 -26.739 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.662 8.853 -26.747 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.223 10.259 -25.864 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.746 9.664 -23.964 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.161 8.268 -24.848 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.526 6.461 -25.193 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.984 6.221 -24.224 1.00 0.00 H new ATOM 84 N GLU A 6 -1.477 11.541 -25.251 1.00 0.00 N ATOM 85 CA GLU A 6 -1.974 12.502 -24.287 1.00 0.00 C ATOM 86 C GLU A 6 -1.975 11.911 -22.893 1.00 0.00 C ATOM 87 O GLU A 6 -2.532 10.841 -22.653 1.00 0.00 O ATOM 88 CB GLU A 6 -3.376 12.990 -24.649 1.00 0.00 C ATOM 89 CG GLU A 6 -3.404 13.966 -25.810 1.00 0.00 C ATOM 90 CD GLU A 6 -4.724 14.695 -25.912 1.00 0.00 C ATOM 91 OE1 GLU A 6 -4.947 15.641 -25.126 1.00 0.00 O ATOM 92 OE2 GLU A 6 -5.551 14.321 -26.767 1.00 0.00 O ATOM 0 H GLU A 6 -2.186 10.912 -25.629 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.302 13.360 -24.309 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.998 12.129 -24.895 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.822 13.466 -23.776 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.599 14.691 -25.692 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.215 13.428 -26.739 1.00 0.00 H new ATOM 99 N HIS A 7 -1.331 12.609 -21.980 1.00 0.00 N ATOM 100 CA HIS A 7 -1.294 12.200 -20.587 1.00 0.00 C ATOM 101 C HIS A 7 -1.704 13.376 -19.710 1.00 0.00 C ATOM 102 O HIS A 7 -1.374 14.521 -20.023 1.00 0.00 O ATOM 103 CB HIS A 7 0.101 11.681 -20.202 1.00 0.00 C ATOM 104 CG HIS A 7 1.224 12.635 -20.492 1.00 0.00 C ATOM 105 ND1 HIS A 7 1.791 13.446 -19.534 1.00 0.00 N ATOM 106 CD2 HIS A 7 1.892 12.892 -21.641 1.00 0.00 C ATOM 107 CE1 HIS A 7 2.754 14.162 -20.082 1.00 0.00 C ATOM 108 NE2 HIS A 7 2.836 13.843 -21.359 1.00 0.00 N ATOM 0 H HIS A 7 -0.821 13.470 -22.178 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.996 11.380 -20.435 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.106 11.447 -19.137 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.287 10.748 -20.734 1.00 0.00 H new ATOM 0 HD2 HIS A 7 1.714 12.432 -22.602 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.371 14.887 -19.571 1.00 0.00 H new ATOM 0 HE2 HIS A 7 3.496 14.240 -22.028 1.00 0.00 H new ATOM 117 N PRO A 8 -2.458 13.115 -18.630 1.00 0.00 N ATOM 118 CA PRO A 8 -2.995 14.163 -17.751 1.00 0.00 C ATOM 119 C PRO A 8 -1.910 14.903 -16.970 1.00 0.00 C ATOM 120 O PRO A 8 -1.698 14.645 -15.780 1.00 0.00 O ATOM 121 CB PRO A 8 -3.924 13.403 -16.792 1.00 0.00 C ATOM 122 CG PRO A 8 -4.118 12.060 -17.410 1.00 0.00 C ATOM 123 CD PRO A 8 -2.862 11.777 -18.179 1.00 0.00 C ATOM 0 HA PRO A 8 -3.500 14.939 -18.327 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.481 13.319 -15.800 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.875 13.922 -16.673 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.289 11.300 -16.648 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.988 12.054 -18.067 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.100 11.312 -17.554 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.042 11.103 -19.017 1.00 0.00 H new ATOM 131 N ASP A 9 -1.227 15.810 -17.664 1.00 0.00 N ATOM 132 CA ASP A 9 -0.194 16.663 -17.078 1.00 0.00 C ATOM 133 C ASP A 9 0.978 15.858 -16.532 1.00 0.00 C ATOM 134 O ASP A 9 1.910 15.530 -17.267 1.00 0.00 O ATOM 135 CB ASP A 9 -0.776 17.567 -15.987 1.00 0.00 C ATOM 136 CG ASP A 9 -1.361 18.845 -16.547 1.00 0.00 C ATOM 137 OD1 ASP A 9 -2.422 18.784 -17.206 1.00 0.00 O ATOM 138 OD2 ASP A 9 -0.760 19.920 -16.328 1.00 0.00 O ATOM 0 H ASP A 9 -1.376 15.976 -18.659 1.00 0.00 H new ATOM 0 HA ASP A 9 0.187 17.290 -17.884 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.550 17.024 -15.444 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.005 17.813 -15.268 1.00 0.00 H new ATOM 143 N TYR A 10 0.917 15.523 -15.254 1.00 0.00 N ATOM 144 CA TYR A 10 2.016 14.849 -14.580 1.00 0.00 C ATOM 145 C TYR A 10 1.508 14.082 -13.370 1.00 0.00 C ATOM 146 O TYR A 10 0.367 14.266 -12.942 1.00 0.00 O ATOM 147 CB TYR A 10 3.089 15.864 -14.160 1.00 0.00 C ATOM 148 CG TYR A 10 2.532 17.116 -13.512 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.304 17.182 -12.143 1.00 0.00 C ATOM 150 CD2 TYR A 10 2.230 18.232 -14.282 1.00 0.00 C ATOM 151 CE1 TYR A 10 1.792 18.328 -11.562 1.00 0.00 C ATOM 152 CE2 TYR A 10 1.720 19.377 -13.709 1.00 0.00 C ATOM 153 CZ TYR A 10 1.499 19.422 -12.352 1.00 0.00 C ATOM 154 OH TYR A 10 0.989 20.567 -11.783 1.00 0.00 O ATOM 0 H TYR A 10 0.111 15.709 -14.657 1.00 0.00 H new ATOM 0 HA TYR A 10 2.464 14.139 -15.275 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.778 15.383 -13.465 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.669 16.149 -15.038 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.530 16.326 -11.524 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.398 18.202 -15.348 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.622 18.367 -10.496 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.495 20.236 -14.323 1.00 0.00 H new ATOM 0 HH TYR A 10 0.841 21.240 -12.479 1.00 0.00 H new ATOM 164 N THR A 11 2.352 13.228 -12.819 1.00 0.00 N ATOM 165 CA THR A 11 1.972 12.413 -11.682 1.00 0.00 C ATOM 166 C THR A 11 2.425 13.055 -10.375 1.00 0.00 C ATOM 167 O THR A 11 3.353 13.866 -10.359 1.00 0.00 O ATOM 168 CB THR A 11 2.569 10.998 -11.798 1.00 0.00 C ATOM 169 OG1 THR A 11 3.959 11.080 -12.143 1.00 0.00 O ATOM 170 CG2 THR A 11 1.826 10.178 -12.844 1.00 0.00 C ATOM 0 H THR A 11 3.308 13.082 -13.143 1.00 0.00 H new ATOM 0 HA THR A 11 0.885 12.339 -11.679 1.00 0.00 H new ATOM 0 HB THR A 11 2.463 10.503 -10.833 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.332 10.177 -12.213 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.267 9.183 -12.907 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.777 10.093 -12.562 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.902 10.670 -13.814 1.00 0.00 H new ATOM 178 N TYR A 12 1.758 12.709 -9.284 1.00 0.00 N ATOM 179 CA TYR A 12 2.139 13.204 -7.971 1.00 0.00 C ATOM 180 C TYR A 12 3.096 12.220 -7.316 1.00 0.00 C ATOM 181 O TYR A 12 2.694 11.136 -6.895 1.00 0.00 O ATOM 182 CB TYR A 12 0.904 13.416 -7.093 1.00 0.00 C ATOM 183 CG TYR A 12 -0.103 14.376 -7.689 1.00 0.00 C ATOM 184 CD1 TYR A 12 0.191 15.728 -7.824 1.00 0.00 C ATOM 185 CD2 TYR A 12 -1.348 13.929 -8.116 1.00 0.00 C ATOM 186 CE1 TYR A 12 -0.726 16.605 -8.366 1.00 0.00 C ATOM 187 CE2 TYR A 12 -2.270 14.802 -8.660 1.00 0.00 C ATOM 188 CZ TYR A 12 -1.955 16.138 -8.783 1.00 0.00 C ATOM 189 OH TYR A 12 -2.872 17.014 -9.323 1.00 0.00 O ATOM 0 H TYR A 12 0.950 12.087 -9.283 1.00 0.00 H new ATOM 0 HA TYR A 12 2.638 14.166 -8.086 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.420 12.454 -6.922 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.220 13.791 -6.120 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.152 16.098 -7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.598 12.883 -8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.482 17.653 -8.463 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.233 14.439 -8.987 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.686 16.526 -9.567 1.00 0.00 H new ATOM 199 N ALA A 13 4.364 12.592 -7.253 1.00 0.00 N ATOM 200 CA ALA A 13 5.396 11.696 -6.762 1.00 0.00 C ATOM 201 C ALA A 13 5.650 11.890 -5.275 1.00 0.00 C ATOM 202 O ALA A 13 5.533 12.999 -4.747 1.00 0.00 O ATOM 203 CB ALA A 13 6.684 11.898 -7.546 1.00 0.00 C ATOM 0 H ALA A 13 4.703 13.511 -7.537 1.00 0.00 H new ATOM 0 HA ALA A 13 5.043 10.675 -6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.450 11.221 -7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.504 11.691 -8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.022 12.928 -7.431 1.00 0.00 H new ATOM 209 N LEU A 14 5.990 10.800 -4.604 1.00 0.00 N ATOM 210 CA LEU A 14 6.372 10.851 -3.202 1.00 0.00 C ATOM 211 C LEU A 14 7.769 11.443 -3.074 1.00 0.00 C ATOM 212 O LEU A 14 8.749 10.839 -3.511 1.00 0.00 O ATOM 213 CB LEU A 14 6.339 9.449 -2.585 1.00 0.00 C ATOM 214 CG LEU A 14 6.756 9.368 -1.114 1.00 0.00 C ATOM 215 CD1 LEU A 14 5.778 10.129 -0.233 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.858 7.916 -0.670 1.00 0.00 C ATOM 0 H LEU A 14 6.009 9.865 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 14 5.662 11.481 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.328 9.052 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.993 8.799 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 14 7.737 9.831 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.094 10.058 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.756 11.176 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.782 9.699 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.155 7.876 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.890 7.430 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.602 7.401 -1.278 1.00 0.00 H new ATOM 228 N ARG A 15 7.851 12.628 -2.494 1.00 0.00 N ATOM 229 CA ARG A 15 9.127 13.307 -2.325 1.00 0.00 C ATOM 230 C ARG A 15 9.944 12.628 -1.236 1.00 0.00 C ATOM 231 O ARG A 15 11.110 12.285 -1.442 1.00 0.00 O ATOM 232 CB ARG A 15 8.906 14.779 -1.977 1.00 0.00 C ATOM 233 CG ARG A 15 8.165 15.555 -3.053 1.00 0.00 C ATOM 234 CD ARG A 15 7.979 17.010 -2.661 1.00 0.00 C ATOM 235 NE ARG A 15 9.257 17.694 -2.460 1.00 0.00 N ATOM 236 CZ ARG A 15 9.381 18.881 -1.870 1.00 0.00 C ATOM 237 NH1 ARG A 15 8.311 19.505 -1.398 1.00 0.00 N ATOM 238 NH2 ARG A 15 10.579 19.434 -1.734 1.00 0.00 N ATOM 0 H ARG A 15 7.048 13.142 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 15 9.677 13.250 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.346 14.843 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.873 15.251 -1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.718 15.497 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.192 15.097 -3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.411 17.524 -3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.391 17.066 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 15 10.104 17.233 -2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.390 19.076 -1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.409 20.414 -0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.407 18.950 -2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.673 20.343 -1.282 1.00 0.00 H new ATOM 252 N ALA A 16 9.316 12.432 -0.079 1.00 0.00 N ATOM 253 CA ALA A 16 9.963 11.789 1.054 1.00 0.00 C ATOM 254 C ALA A 16 8.967 11.557 2.182 1.00 0.00 C ATOM 255 O ALA A 16 8.150 12.431 2.494 1.00 0.00 O ATOM 256 CB ALA A 16 11.131 12.627 1.556 1.00 0.00 C ATOM 0 H ALA A 16 8.351 12.713 0.096 1.00 0.00 H new ATOM 0 HA ALA A 16 10.344 10.824 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.600 12.127 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.862 12.748 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.769 13.606 1.868 1.00 0.00 H new ATOM 262 N ALA A 17 9.037 10.380 2.783 1.00 0.00 N ATOM 263 CA ALA A 17 8.211 10.050 3.934 1.00 0.00 C ATOM 264 C ALA A 17 9.088 9.939 5.169 1.00 0.00 C ATOM 265 O ALA A 17 10.131 9.288 5.137 1.00 0.00 O ATOM 266 CB ALA A 17 7.458 8.749 3.697 1.00 0.00 C ATOM 0 H ALA A 17 9.664 9.631 2.489 1.00 0.00 H new ATOM 0 HA ALA A 17 7.477 10.841 4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.846 8.519 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.818 8.854 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.171 7.941 3.531 1.00 0.00 H new ATOM 272 N ASP A 18 8.675 10.580 6.249 1.00 0.00 N ATOM 273 CA ASP A 18 9.488 10.630 7.457 1.00 0.00 C ATOM 274 C ASP A 18 8.820 9.883 8.606 1.00 0.00 C ATOM 275 O ASP A 18 9.086 10.151 9.778 1.00 0.00 O ATOM 276 CB ASP A 18 9.778 12.088 7.845 1.00 0.00 C ATOM 277 CG ASP A 18 8.524 12.908 8.088 1.00 0.00 C ATOM 278 OD1 ASP A 18 7.909 13.377 7.104 1.00 0.00 O ATOM 279 OD2 ASP A 18 8.160 13.108 9.263 1.00 0.00 O ATOM 0 H ASP A 18 7.784 11.073 6.317 1.00 0.00 H new ATOM 0 HA ASP A 18 10.435 10.132 7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.392 12.101 8.746 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.362 12.557 7.054 1.00 0.00 H new ATOM 284 N GLY A 19 7.970 8.924 8.265 1.00 0.00 N ATOM 285 CA GLY A 19 7.351 8.086 9.273 1.00 0.00 C ATOM 286 C GLY A 19 5.857 8.304 9.376 1.00 0.00 C ATOM 287 O GLY A 19 5.094 7.853 8.519 1.00 0.00 O ATOM 0 H GLY A 19 7.697 8.711 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.546 7.039 9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.811 8.288 10.240 1.00 0.00 H new ATOM 291 N ARG A 20 5.439 9.017 10.416 1.00 0.00 N ATOM 292 CA ARG A 20 4.023 9.308 10.634 1.00 0.00 C ATOM 293 C ARG A 20 3.593 10.505 9.784 1.00 0.00 C ATOM 294 O ARG A 20 2.527 11.081 9.988 1.00 0.00 O ATOM 295 CB ARG A 20 3.774 9.602 12.119 1.00 0.00 C ATOM 296 CG ARG A 20 4.292 10.960 12.564 1.00 0.00 C ATOM 297 CD ARG A 20 4.250 11.127 14.074 1.00 0.00 C ATOM 298 NE ARG A 20 4.601 12.490 14.473 1.00 0.00 N ATOM 299 CZ ARG A 20 5.847 12.964 14.508 1.00 0.00 C ATOM 300 NH1 ARG A 20 6.878 12.178 14.218 1.00 0.00 N ATOM 301 NH2 ARG A 20 6.059 14.230 14.840 1.00 0.00 N ATOM 0 H ARG A 20 6.061 9.406 11.124 1.00 0.00 H new ATOM 0 HA ARG A 20 3.434 8.439 10.339 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.704 9.548 12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.249 8.826 12.719 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.317 11.088 12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.696 11.744 12.097 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.252 10.885 14.440 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.939 10.422 14.538 1.00 0.00 H new ATOM 0 HE ARG A 20 3.844 13.118 14.742 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.720 11.202 13.966 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.827 12.550 14.248 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.271 14.836 15.067 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.010 14.597 14.868 1.00 0.00 H new ATOM 315 N HIS A 21 4.437 10.862 8.827 1.00 0.00 N ATOM 316 CA HIS A 21 4.207 12.012 7.970 1.00 0.00 C ATOM 317 C HIS A 21 4.807 11.756 6.591 1.00 0.00 C ATOM 318 O HIS A 21 5.848 11.107 6.471 1.00 0.00 O ATOM 319 CB HIS A 21 4.821 13.258 8.615 1.00 0.00 C ATOM 320 CG HIS A 21 4.717 14.509 7.800 1.00 0.00 C ATOM 321 ND1 HIS A 21 5.748 14.981 7.024 1.00 0.00 N ATOM 322 CD2 HIS A 21 3.713 15.406 7.676 1.00 0.00 C ATOM 323 CE1 HIS A 21 5.387 16.114 6.457 1.00 0.00 C ATOM 324 NE2 HIS A 21 4.154 16.399 6.834 1.00 0.00 N ATOM 0 H HIS A 21 5.302 10.360 8.624 1.00 0.00 H new ATOM 0 HA HIS A 21 3.136 12.176 7.849 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.336 13.427 9.576 1.00 0.00 H new ATOM 0 HB3 HIS A 21 5.874 13.062 8.819 1.00 0.00 H new ATOM 0 HD1 HIS A 21 6.653 14.525 6.905 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.744 15.352 8.150 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.997 16.710 5.795 1.00 0.00 H new ATOM 333 N ALA A 22 4.145 12.254 5.560 1.00 0.00 N ATOM 334 CA ALA A 22 4.594 12.041 4.192 1.00 0.00 C ATOM 335 C ALA A 22 4.451 13.313 3.366 1.00 0.00 C ATOM 336 O ALA A 22 3.747 14.244 3.764 1.00 0.00 O ATOM 337 CB ALA A 22 3.809 10.906 3.550 1.00 0.00 C ATOM 0 H ALA A 22 3.294 12.809 5.643 1.00 0.00 H new ATOM 0 HA ALA A 22 5.649 11.770 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.155 10.757 2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.961 9.990 4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.748 11.157 3.541 1.00 0.00 H new ATOM 343 N LYS A 23 5.133 13.351 2.225 1.00 0.00 N ATOM 344 CA LYS A 23 5.061 14.490 1.312 1.00 0.00 C ATOM 345 C LYS A 23 4.928 14.007 -0.128 1.00 0.00 C ATOM 346 O LYS A 23 5.897 13.524 -0.718 1.00 0.00 O ATOM 347 CB LYS A 23 6.311 15.373 1.437 1.00 0.00 C ATOM 348 CG LYS A 23 6.517 15.965 2.821 1.00 0.00 C ATOM 349 CD LYS A 23 7.706 16.917 2.861 1.00 0.00 C ATOM 350 CE LYS A 23 9.011 16.220 2.501 1.00 0.00 C ATOM 351 NZ LYS A 23 9.311 15.084 3.412 1.00 0.00 N ATOM 0 H LYS A 23 5.747 12.600 1.908 1.00 0.00 H new ATOM 0 HA LYS A 23 4.184 15.079 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.188 14.782 1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.243 16.185 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.616 16.497 3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.672 15.161 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.533 17.741 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.790 17.350 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.955 15.856 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.828 16.940 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.341 14.967 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.909 15.277 4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.893 14.212 3.029 1.00 0.00 H new ATOM 365 N VAL A 24 3.729 14.113 -0.683 1.00 0.00 N ATOM 366 CA VAL A 24 3.485 13.715 -2.066 1.00 0.00 C ATOM 367 C VAL A 24 3.212 14.946 -2.919 1.00 0.00 C ATOM 368 O VAL A 24 2.148 15.551 -2.807 1.00 0.00 O ATOM 369 CB VAL A 24 2.289 12.742 -2.173 1.00 0.00 C ATOM 370 CG1 VAL A 24 2.111 12.259 -3.606 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.466 11.561 -1.230 1.00 0.00 C ATOM 0 H VAL A 24 2.907 14.472 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 24 4.377 13.202 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 24 1.389 13.282 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.264 11.575 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.928 13.113 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.014 11.742 -3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.612 10.890 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.379 11.024 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.534 11.922 -0.204 1.00 0.00 H new ATOM 381 N ASN A 25 4.180 15.304 -3.767 1.00 0.00 N ATOM 382 CA ASN A 25 4.132 16.538 -4.565 1.00 0.00 C ATOM 383 C ASN A 25 4.048 17.763 -3.647 1.00 0.00 C ATOM 384 O ASN A 25 5.073 18.339 -3.281 1.00 0.00 O ATOM 385 CB ASN A 25 2.965 16.509 -5.562 1.00 0.00 C ATOM 386 CG ASN A 25 2.976 17.693 -6.515 1.00 0.00 C ATOM 387 OD1 ASN A 25 2.390 18.735 -6.234 1.00 0.00 O ATOM 388 ND2 ASN A 25 3.629 17.534 -7.657 1.00 0.00 N ATOM 0 H ASN A 25 5.021 14.748 -3.922 1.00 0.00 H new ATOM 0 HA ASN A 25 5.053 16.608 -5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.008 15.584 -6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.024 16.499 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.657 18.292 -8.338 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.104 16.653 -7.855 1.00 0.00 H new ATOM 395 N GLU A 26 2.838 18.153 -3.267 1.00 0.00 N ATOM 396 CA GLU A 26 2.653 19.177 -2.243 1.00 0.00 C ATOM 397 C GLU A 26 1.439 18.849 -1.386 1.00 0.00 C ATOM 398 O GLU A 26 0.984 19.663 -0.581 1.00 0.00 O ATOM 399 CB GLU A 26 2.496 20.568 -2.858 1.00 0.00 C ATOM 400 CG GLU A 26 1.307 20.708 -3.793 1.00 0.00 C ATOM 401 CD GLU A 26 0.884 22.149 -3.964 1.00 0.00 C ATOM 402 OE1 GLU A 26 1.673 22.951 -4.513 1.00 0.00 O ATOM 403 OE2 GLU A 26 -0.230 22.497 -3.517 1.00 0.00 O ATOM 0 H GLU A 26 1.971 17.778 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 26 3.547 19.185 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.400 21.299 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.405 20.815 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.560 20.287 -4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.470 20.129 -3.403 1.00 0.00 H new ATOM 410 N GLN A 27 0.921 17.646 -1.561 1.00 0.00 N ATOM 411 CA GLN A 27 -0.240 17.201 -0.826 1.00 0.00 C ATOM 412 C GLN A 27 0.193 16.454 0.426 1.00 0.00 C ATOM 413 O GLN A 27 0.643 15.308 0.361 1.00 0.00 O ATOM 414 CB GLN A 27 -1.139 16.308 -1.694 1.00 0.00 C ATOM 415 CG GLN A 27 -1.882 17.055 -2.798 1.00 0.00 C ATOM 416 CD GLN A 27 -1.093 17.197 -4.092 1.00 0.00 C ATOM 417 OE1 GLN A 27 0.134 17.223 -4.102 1.00 0.00 O ATOM 418 NE2 GLN A 27 -1.807 17.312 -5.202 1.00 0.00 N ATOM 0 H GLN A 27 1.294 16.957 -2.214 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.818 18.079 -0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.528 15.527 -2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.867 15.812 -1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.816 16.534 -3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.146 18.048 -2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.826 17.286 -5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.338 17.426 -6.101 1.00 0.00 H new ATOM 427 N ILE A 28 0.085 17.123 1.562 1.00 0.00 N ATOM 428 CA ILE A 28 0.436 16.518 2.833 1.00 0.00 C ATOM 429 C ILE A 28 -0.741 15.708 3.364 1.00 0.00 C ATOM 430 O ILE A 28 -1.592 16.219 4.099 1.00 0.00 O ATOM 431 CB ILE A 28 0.863 17.575 3.876 1.00 0.00 C ATOM 432 CG1 ILE A 28 2.036 18.402 3.339 1.00 0.00 C ATOM 433 CG2 ILE A 28 1.242 16.902 5.191 1.00 0.00 C ATOM 434 CD1 ILE A 28 2.458 19.530 4.255 1.00 0.00 C ATOM 0 H ILE A 28 -0.244 18.086 1.628 1.00 0.00 H new ATOM 0 HA ILE A 28 1.288 15.860 2.663 1.00 0.00 H new ATOM 0 HB ILE A 28 0.022 18.243 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.888 17.742 3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.762 18.817 2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.540 17.660 5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.386 16.349 5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.071 16.215 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.293 20.069 3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.621 20.213 4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.765 19.121 5.218 1.00 0.00 H new ATOM 446 N LEU A 29 -0.800 14.456 2.949 1.00 0.00 N ATOM 447 CA LEU A 29 -1.867 13.565 3.360 1.00 0.00 C ATOM 448 C LEU A 29 -1.571 13.002 4.742 1.00 0.00 C ATOM 449 O LEU A 29 -0.490 12.469 4.988 1.00 0.00 O ATOM 450 CB LEU A 29 -2.039 12.444 2.333 1.00 0.00 C ATOM 451 CG LEU A 29 -2.374 12.922 0.916 1.00 0.00 C ATOM 452 CD1 LEU A 29 -2.405 11.755 -0.056 1.00 0.00 C ATOM 453 CD2 LEU A 29 -3.706 13.657 0.901 1.00 0.00 C ATOM 0 H LEU A 29 -0.116 14.032 2.323 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.802 14.123 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.120 11.858 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.830 11.776 2.673 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.592 13.612 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.645 12.120 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.430 11.269 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.163 11.038 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.927 13.989 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.495 12.987 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.652 14.522 1.562 1.00 0.00 H new ATOM 465 N GLN A 30 -2.529 13.148 5.643 1.00 0.00 N ATOM 466 CA GLN A 30 -2.346 12.753 7.033 1.00 0.00 C ATOM 467 C GLN A 30 -3.274 11.600 7.391 1.00 0.00 C ATOM 468 O GLN A 30 -3.761 11.494 8.519 1.00 0.00 O ATOM 469 CB GLN A 30 -2.588 13.961 7.937 1.00 0.00 C ATOM 470 CG GLN A 30 -1.534 15.044 7.766 1.00 0.00 C ATOM 471 CD GLN A 30 -2.025 16.420 8.165 1.00 0.00 C ATOM 472 OE1 GLN A 30 -1.903 16.834 9.320 1.00 0.00 O ATOM 473 NE2 GLN A 30 -2.572 17.143 7.202 1.00 0.00 N ATOM 0 H GLN A 30 -3.448 13.540 5.436 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.324 12.405 7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.571 14.380 7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.602 13.634 8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.660 14.789 8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.212 15.068 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.653 16.760 6.260 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.913 18.083 7.401 1.00 0.00 H new ATOM 482 N GLN A 31 -3.500 10.733 6.414 1.00 0.00 N ATOM 483 CA GLN A 31 -4.296 9.528 6.604 1.00 0.00 C ATOM 484 C GLN A 31 -3.814 8.451 5.641 1.00 0.00 C ATOM 485 O GLN A 31 -2.780 8.618 4.994 1.00 0.00 O ATOM 486 CB GLN A 31 -5.798 9.795 6.400 1.00 0.00 C ATOM 487 CG GLN A 31 -6.181 10.268 5.001 1.00 0.00 C ATOM 488 CD GLN A 31 -5.899 11.743 4.767 1.00 0.00 C ATOM 489 OE1 GLN A 31 -6.001 12.540 5.817 1.00 0.00 O flip ATOM 490 NE2 GLN A 31 -5.610 12.162 3.648 1.00 0.00 N flip ATOM 0 H GLN A 31 -3.137 10.845 5.467 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.166 9.191 7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.348 8.881 6.622 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.121 10.545 7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.635 9.679 4.264 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.242 10.078 4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.541 11.514 2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.439 13.157 3.505 1.00 0.00 H new ATOM 499 N SER A 32 -4.545 7.353 5.553 1.00 0.00 N ATOM 500 CA SER A 32 -4.189 6.279 4.637 1.00 0.00 C ATOM 501 C SER A 32 -4.500 6.672 3.192 1.00 0.00 C ATOM 502 O SER A 32 -5.532 7.288 2.918 1.00 0.00 O ATOM 503 CB SER A 32 -4.948 5.005 5.008 1.00 0.00 C ATOM 504 OG SER A 32 -4.709 4.649 6.359 1.00 0.00 O ATOM 0 H SER A 32 -5.387 7.180 6.102 1.00 0.00 H new ATOM 0 HA SER A 32 -3.118 6.096 4.720 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.016 5.154 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.640 4.190 4.353 1.00 0.00 H new ATOM 0 HG SER A 32 -5.435 4.992 6.921 1.00 0.00 H new ATOM 510 N PHE A 33 -3.590 6.342 2.285 1.00 0.00 N ATOM 511 CA PHE A 33 -3.798 6.581 0.864 1.00 0.00 C ATOM 512 C PHE A 33 -3.000 5.576 0.040 1.00 0.00 C ATOM 513 O PHE A 33 -2.045 4.977 0.536 1.00 0.00 O ATOM 514 CB PHE A 33 -3.401 8.017 0.483 1.00 0.00 C ATOM 515 CG PHE A 33 -1.940 8.331 0.667 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.453 8.748 1.895 1.00 0.00 C ATOM 517 CD2 PHE A 33 -1.056 8.220 -0.397 1.00 0.00 C ATOM 518 CE1 PHE A 33 -0.114 9.045 2.062 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.283 8.517 -0.236 1.00 0.00 C ATOM 520 CZ PHE A 33 0.754 8.928 0.997 1.00 0.00 C ATOM 0 H PHE A 33 -2.696 5.906 2.511 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.859 6.454 0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.668 8.190 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.988 8.714 1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.128 8.842 2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.419 7.898 -1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.252 9.368 3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.961 8.428 -1.072 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.801 9.157 1.126 1.00 0.00 H new ATOM 530 N ILE A 34 -3.391 5.389 -1.210 1.00 0.00 N ATOM 531 CA ILE A 34 -2.704 4.454 -2.086 1.00 0.00 C ATOM 532 C ILE A 34 -1.985 5.198 -3.205 1.00 0.00 C ATOM 533 O ILE A 34 -2.616 5.883 -4.014 1.00 0.00 O ATOM 534 CB ILE A 34 -3.680 3.435 -2.713 1.00 0.00 C ATOM 535 CG1 ILE A 34 -4.594 2.835 -1.640 1.00 0.00 C ATOM 536 CG2 ILE A 34 -2.907 2.335 -3.427 1.00 0.00 C ATOM 537 CD1 ILE A 34 -5.670 1.928 -2.198 1.00 0.00 C ATOM 0 H ILE A 34 -4.180 5.872 -1.641 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.982 3.916 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.301 3.955 -3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.987 2.271 -0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.066 3.644 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.607 1.623 -3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.295 2.773 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.264 1.820 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.278 1.540 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.301 2.492 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.206 1.098 -2.731 1.00 0.00 H new ATOM 549 N LEU A 35 -0.670 5.070 -3.238 1.00 0.00 N ATOM 550 CA LEU A 35 0.145 5.689 -4.274 1.00 0.00 C ATOM 551 C LEU A 35 0.611 4.630 -5.265 1.00 0.00 C ATOM 552 O LEU A 35 1.253 3.654 -4.880 1.00 0.00 O ATOM 553 CB LEU A 35 1.351 6.395 -3.646 1.00 0.00 C ATOM 554 CG LEU A 35 2.321 7.042 -4.635 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.628 8.141 -5.425 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.534 7.592 -3.903 1.00 0.00 C ATOM 0 H LEU A 35 -0.137 4.537 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.454 6.430 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.986 7.164 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.901 5.672 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 35 2.658 6.279 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.335 8.589 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.790 7.718 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.261 8.905 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.215 8.049 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.213 8.341 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.045 6.781 -3.384 1.00 0.00 H new ATOM 568 N MET A 36 0.263 4.804 -6.528 1.00 0.00 N ATOM 569 CA MET A 36 0.623 3.834 -7.549 1.00 0.00 C ATOM 570 C MET A 36 1.160 4.527 -8.792 1.00 0.00 C ATOM 571 O MET A 36 0.789 5.663 -9.084 1.00 0.00 O ATOM 572 CB MET A 36 -0.603 2.995 -7.940 1.00 0.00 C ATOM 573 CG MET A 36 -1.221 2.224 -6.788 1.00 0.00 C ATOM 574 SD MET A 36 -2.673 1.273 -7.283 1.00 0.00 S ATOM 575 CE MET A 36 -1.967 0.191 -8.522 1.00 0.00 C ATOM 0 H MET A 36 -0.267 5.605 -6.871 1.00 0.00 H new ATOM 0 HA MET A 36 1.398 3.189 -7.136 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.358 3.654 -8.369 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.314 2.291 -8.720 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.476 1.549 -6.367 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.501 2.921 -5.998 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.688 -0.584 -8.781 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.720 0.769 -9.412 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.062 -0.272 -8.128 1.00 0.00 H new ATOM 585 N PRO A 37 2.038 3.847 -9.551 1.00 0.00 N ATOM 586 CA PRO A 37 2.448 4.289 -10.888 1.00 0.00 C ATOM 587 C PRO A 37 1.320 4.046 -11.891 1.00 0.00 C ATOM 588 O PRO A 37 1.546 3.616 -13.023 1.00 0.00 O ATOM 589 CB PRO A 37 3.662 3.400 -11.215 1.00 0.00 C ATOM 590 CG PRO A 37 3.989 2.672 -9.952 1.00 0.00 C ATOM 591 CD PRO A 37 2.714 2.607 -9.164 1.00 0.00 C ATOM 0 HA PRO A 37 2.683 5.353 -10.932 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.429 2.702 -12.019 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.508 4.001 -11.549 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.366 1.672 -10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.766 3.193 -9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.124 1.727 -9.419 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.902 2.565 -8.091 1.00 0.00 H new ATOM 599 N ASP A 38 0.110 4.351 -11.447 1.00 0.00 N ATOM 600 CA ASP A 38 -1.110 4.044 -12.172 1.00 0.00 C ATOM 601 C ASP A 38 -2.134 5.137 -11.889 1.00 0.00 C ATOM 602 O ASP A 38 -2.695 5.746 -12.803 1.00 0.00 O ATOM 603 CB ASP A 38 -1.638 2.680 -11.709 1.00 0.00 C ATOM 604 CG ASP A 38 -2.791 2.158 -12.541 1.00 0.00 C ATOM 605 OD1 ASP A 38 -2.531 1.495 -13.566 1.00 0.00 O ATOM 606 OD2 ASP A 38 -3.958 2.356 -12.147 1.00 0.00 O ATOM 0 H ASP A 38 -0.052 4.826 -10.559 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.919 4.001 -13.244 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.824 1.956 -11.739 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.958 2.758 -10.670 1.00 0.00 H new ATOM 611 N GLU A 39 -2.348 5.393 -10.602 1.00 0.00 N ATOM 612 CA GLU A 39 -3.178 6.499 -10.153 1.00 0.00 C ATOM 613 C GLU A 39 -2.902 6.794 -8.683 1.00 0.00 C ATOM 614 O GLU A 39 -2.128 6.085 -8.032 1.00 0.00 O ATOM 615 CB GLU A 39 -4.667 6.196 -10.353 1.00 0.00 C ATOM 616 CG GLU A 39 -5.184 5.033 -9.524 1.00 0.00 C ATOM 617 CD GLU A 39 -6.675 4.834 -9.690 1.00 0.00 C ATOM 618 OE1 GLU A 39 -7.083 4.140 -10.647 1.00 0.00 O ATOM 619 OE2 GLU A 39 -7.449 5.393 -8.887 1.00 0.00 O ATOM 0 H GLU A 39 -1.950 4.839 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.927 7.374 -10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.244 7.088 -10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.844 5.983 -11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.662 4.121 -9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.957 5.209 -8.472 1.00 0.00 H new ATOM 626 N LEU A 40 -3.523 7.842 -8.170 1.00 0.00 N ATOM 627 CA LEU A 40 -3.405 8.187 -6.765 1.00 0.00 C ATOM 628 C LEU A 40 -4.762 8.065 -6.081 1.00 0.00 C ATOM 629 O LEU A 40 -5.695 8.810 -6.390 1.00 0.00 O ATOM 630 CB LEU A 40 -2.852 9.608 -6.604 1.00 0.00 C ATOM 631 CG LEU A 40 -2.715 10.099 -5.160 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.764 9.207 -4.373 1.00 0.00 C ATOM 633 CD2 LEU A 40 -2.232 11.540 -5.130 1.00 0.00 C ATOM 0 H LEU A 40 -4.117 8.472 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.709 7.493 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.873 9.655 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.502 10.296 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.698 10.051 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.682 9.575 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.147 8.187 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.781 9.220 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.141 11.872 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.261 11.609 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.948 12.175 -5.653 1.00 0.00 H new ATOM 645 N VAL A 41 -4.873 7.115 -5.168 1.00 0.00 N ATOM 646 CA VAL A 41 -6.105 6.916 -4.424 1.00 0.00 C ATOM 647 C VAL A 41 -5.976 7.546 -3.044 1.00 0.00 C ATOM 648 O VAL A 41 -5.551 6.894 -2.090 1.00 0.00 O ATOM 649 CB VAL A 41 -6.452 5.418 -4.268 1.00 0.00 C ATOM 650 CG1 VAL A 41 -7.842 5.242 -3.673 1.00 0.00 C ATOM 651 CG2 VAL A 41 -6.338 4.695 -5.601 1.00 0.00 C ATOM 0 H VAL A 41 -4.123 6.468 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.909 7.391 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.732 4.974 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.063 4.179 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.880 5.714 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.580 5.706 -4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.587 3.642 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.027 5.142 -6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.318 4.782 -5.976 1.00 0.00 H new ATOM 661 N GLU A 42 -6.300 8.826 -2.948 1.00 0.00 N ATOM 662 CA GLU A 42 -6.175 9.540 -1.686 1.00 0.00 C ATOM 663 C GLU A 42 -7.515 9.636 -0.960 1.00 0.00 C ATOM 664 O GLU A 42 -7.575 10.047 0.197 1.00 0.00 O ATOM 665 CB GLU A 42 -5.553 10.926 -1.907 1.00 0.00 C ATOM 666 CG GLU A 42 -6.014 11.635 -3.173 1.00 0.00 C ATOM 667 CD GLU A 42 -7.480 11.998 -3.150 1.00 0.00 C ATOM 668 OE1 GLU A 42 -7.839 12.984 -2.473 1.00 0.00 O ATOM 669 OE2 GLU A 42 -8.280 11.304 -3.813 1.00 0.00 O ATOM 0 H GLU A 42 -6.649 9.389 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.505 8.970 -1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.787 11.555 -1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.468 10.822 -1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.424 12.541 -3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.818 10.994 -4.033 1.00 0.00 H new ATOM 676 N HIS A 43 -8.587 9.243 -1.635 1.00 0.00 N ATOM 677 CA HIS A 43 -9.908 9.209 -1.013 1.00 0.00 C ATOM 678 C HIS A 43 -10.208 7.820 -0.469 1.00 0.00 C ATOM 679 O HIS A 43 -11.310 7.293 -0.630 1.00 0.00 O ATOM 680 CB HIS A 43 -10.997 9.648 -1.998 1.00 0.00 C ATOM 681 CG HIS A 43 -11.284 11.120 -1.956 1.00 0.00 C ATOM 682 ND1 HIS A 43 -10.598 12.047 -2.708 1.00 0.00 N ATOM 683 CD2 HIS A 43 -12.197 11.823 -1.242 1.00 0.00 C ATOM 684 CE1 HIS A 43 -11.074 13.254 -2.461 1.00 0.00 C ATOM 685 NE2 HIS A 43 -12.044 13.145 -1.575 1.00 0.00 N ATOM 0 H HIS A 43 -8.570 8.944 -2.610 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.904 9.914 -0.182 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.694 9.374 -3.008 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.914 9.101 -1.781 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -9.839 11.834 -3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.912 11.418 -0.541 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.728 14.174 -2.909 1.00 0.00 H new ATOM 694 N TRP A 44 -9.214 7.245 0.185 1.00 0.00 N ATOM 695 CA TRP A 44 -9.352 5.955 0.847 1.00 0.00 C ATOM 696 C TRP A 44 -8.799 6.080 2.267 1.00 0.00 C ATOM 697 O TRP A 44 -7.778 5.487 2.610 1.00 0.00 O ATOM 698 CB TRP A 44 -8.603 4.874 0.051 1.00 0.00 C ATOM 699 CG TRP A 44 -8.886 3.469 0.496 1.00 0.00 C ATOM 700 CD1 TRP A 44 -10.046 2.772 0.316 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.986 2.582 1.177 1.00 0.00 C ATOM 702 NE1 TRP A 44 -9.926 1.511 0.848 1.00 0.00 N ATOM 703 CE2 TRP A 44 -8.672 1.371 1.383 1.00 0.00 C ATOM 704 CE3 TRP A 44 -6.669 2.698 1.636 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -8.086 0.281 2.024 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -6.089 1.616 2.273 1.00 0.00 C ATOM 707 CH2 TRP A 44 -6.797 0.422 2.462 1.00 0.00 C ATOM 0 H TRP A 44 -8.286 7.658 0.273 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.401 5.661 0.895 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.866 4.968 -1.003 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.532 5.058 0.130 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.929 3.156 -0.173 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.652 0.795 0.845 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.116 3.615 1.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -8.629 -0.641 2.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.073 1.693 2.631 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.316 -0.404 2.964 1.00 0.00 H new ATOM 718 N PRO A 45 -9.468 6.881 3.112 1.00 0.00 N ATOM 719 CA PRO A 45 -8.944 7.266 4.406 1.00 0.00 C ATOM 720 C PRO A 45 -9.283 6.278 5.511 1.00 0.00 C ATOM 721 O PRO A 45 -10.337 6.367 6.146 1.00 0.00 O ATOM 722 CB PRO A 45 -9.611 8.621 4.670 1.00 0.00 C ATOM 723 CG PRO A 45 -10.789 8.702 3.743 1.00 0.00 C ATOM 724 CD PRO A 45 -10.798 7.454 2.896 1.00 0.00 C ATOM 0 HA PRO A 45 -7.855 7.300 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -9.929 8.701 5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.915 9.439 4.485 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.716 8.785 4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.720 9.590 3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.586 6.766 3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.969 7.684 1.844 1.00 0.00 H new ATOM 732 N VAL A 46 -8.404 5.313 5.711 1.00 0.00 N ATOM 733 CA VAL A 46 -8.489 4.440 6.866 1.00 0.00 C ATOM 734 C VAL A 46 -7.892 5.166 8.066 1.00 0.00 C ATOM 735 O VAL A 46 -6.710 5.513 8.053 1.00 0.00 O ATOM 736 CB VAL A 46 -7.750 3.103 6.633 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.852 2.203 7.857 1.00 0.00 C ATOM 738 CG2 VAL A 46 -8.301 2.398 5.404 1.00 0.00 C ATOM 0 H VAL A 46 -7.622 5.114 5.087 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.537 4.200 7.046 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.696 3.323 6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.324 1.269 7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.405 2.704 8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.900 1.991 8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.769 1.458 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.363 2.196 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.167 3.034 4.529 1.00 0.00 H new ATOM 748 N PRO A 47 -8.712 5.433 9.097 1.00 0.00 N ATOM 749 CA PRO A 47 -8.305 6.236 10.256 1.00 0.00 C ATOM 750 C PRO A 47 -7.061 5.691 10.954 1.00 0.00 C ATOM 751 O PRO A 47 -6.075 6.407 11.130 1.00 0.00 O ATOM 752 CB PRO A 47 -9.519 6.177 11.195 1.00 0.00 C ATOM 753 CG PRO A 47 -10.364 5.057 10.687 1.00 0.00 C ATOM 754 CD PRO A 47 -10.105 4.975 9.213 1.00 0.00 C ATOM 0 HA PRO A 47 -8.033 7.248 9.957 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.210 5.999 12.225 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -10.068 7.118 11.185 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.106 4.120 11.180 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.419 5.243 10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.229 3.959 8.837 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.787 5.610 8.647 1.00 0.00 H new ATOM 762 N SER A 48 -7.110 4.430 11.355 1.00 0.00 N ATOM 763 CA SER A 48 -5.997 3.805 12.055 1.00 0.00 C ATOM 764 C SER A 48 -6.065 2.292 11.919 1.00 0.00 C ATOM 765 O SER A 48 -7.005 1.754 11.333 1.00 0.00 O ATOM 766 CB SER A 48 -6.005 4.197 13.536 1.00 0.00 C ATOM 767 OG SER A 48 -5.894 5.602 13.700 1.00 0.00 O ATOM 0 H SER A 48 -7.912 3.817 11.207 1.00 0.00 H new ATOM 0 HA SER A 48 -5.070 4.158 11.604 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.926 3.846 14.002 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.180 3.703 14.049 1.00 0.00 H new ATOM 0 HG SER A 48 -5.687 6.017 12.837 1.00 0.00 H new ATOM 773 N LEU A 49 -5.081 1.613 12.492 1.00 0.00 N ATOM 774 CA LEU A 49 -4.996 0.161 12.414 1.00 0.00 C ATOM 775 C LEU A 49 -5.719 -0.490 13.584 1.00 0.00 C ATOM 776 O LEU A 49 -5.410 -1.615 13.980 1.00 0.00 O ATOM 777 CB LEU A 49 -3.531 -0.271 12.390 1.00 0.00 C ATOM 778 CG LEU A 49 -2.754 0.190 11.158 1.00 0.00 C ATOM 779 CD1 LEU A 49 -1.285 -0.158 11.298 1.00 0.00 C ATOM 780 CD2 LEU A 49 -3.333 -0.442 9.902 1.00 0.00 C ATOM 0 H LEU A 49 -4.325 2.049 13.020 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.481 -0.165 11.494 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.037 0.116 13.281 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.485 -1.359 12.447 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.845 1.273 11.075 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.746 0.177 10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.877 0.336 12.180 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.175 -1.237 11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.770 -0.105 9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.268 -1.527 9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.377 -0.148 9.795 1.00 0.00 H new ATOM 792 N GLY A 50 -6.691 0.224 14.131 1.00 0.00 N ATOM 793 CA GLY A 50 -7.519 -0.329 15.177 1.00 0.00 C ATOM 794 C GLY A 50 -8.551 -1.283 14.618 1.00 0.00 C ATOM 795 O GLY A 50 -9.191 -2.025 15.362 1.00 0.00 O ATOM 0 H GLY A 50 -6.920 1.182 13.866 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.893 -0.851 15.901 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.019 0.478 15.712 1.00 0.00 H new ATOM 799 N GLN A 51 -8.703 -1.256 13.299 1.00 0.00 N ATOM 800 CA GLN A 51 -9.639 -2.127 12.603 1.00 0.00 C ATOM 801 C GLN A 51 -9.050 -2.599 11.278 1.00 0.00 C ATOM 802 O GLN A 51 -8.591 -3.736 11.170 1.00 0.00 O ATOM 803 CB GLN A 51 -10.968 -1.407 12.353 1.00 0.00 C ATOM 804 CG GLN A 51 -11.866 -1.337 13.577 1.00 0.00 C ATOM 805 CD GLN A 51 -12.404 -2.698 13.974 1.00 0.00 C ATOM 806 OE1 GLN A 51 -12.633 -3.563 13.126 1.00 0.00 O ATOM 807 NE2 GLN A 51 -12.607 -2.899 15.262 1.00 0.00 N ATOM 0 H GLN A 51 -8.182 -0.631 12.684 1.00 0.00 H new ATOM 0 HA GLN A 51 -9.824 -2.995 13.236 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.762 -0.394 12.006 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.502 -1.917 11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.307 -0.912 14.411 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.699 -0.664 13.376 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.405 -2.157 15.932 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.966 -3.796 15.588 1.00 0.00 H new ATOM 816 N LEU A 52 -9.037 -1.695 10.296 1.00 0.00 N ATOM 817 CA LEU A 52 -8.649 -2.015 8.920 1.00 0.00 C ATOM 818 C LEU A 52 -9.526 -3.136 8.369 1.00 0.00 C ATOM 819 O LEU A 52 -9.204 -4.321 8.474 1.00 0.00 O ATOM 820 CB LEU A 52 -7.165 -2.382 8.810 1.00 0.00 C ATOM 821 CG LEU A 52 -6.684 -2.699 7.388 1.00 0.00 C ATOM 822 CD1 LEU A 52 -7.027 -1.561 6.435 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.187 -2.971 7.382 1.00 0.00 C ATOM 0 H LEU A 52 -9.296 -0.718 10.433 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.802 -1.119 8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.571 -1.557 9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.971 -3.246 9.445 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.199 -3.596 7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.677 -1.808 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.107 -1.415 6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.543 -0.645 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.862 -3.194 6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.656 -2.092 7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.969 -3.822 8.028 1.00 0.00 H new ATOM 835 N GLN A 53 -10.645 -2.741 7.789 1.00 0.00 N ATOM 836 CA GLN A 53 -11.636 -3.689 7.318 1.00 0.00 C ATOM 837 C GLN A 53 -11.292 -4.204 5.926 1.00 0.00 C ATOM 838 O GLN A 53 -11.108 -3.419 4.992 1.00 0.00 O ATOM 839 CB GLN A 53 -13.010 -3.024 7.287 1.00 0.00 C ATOM 840 CG GLN A 53 -13.438 -2.444 8.622 1.00 0.00 C ATOM 841 CD GLN A 53 -14.680 -1.587 8.504 1.00 0.00 C ATOM 842 OE1 GLN A 53 -14.593 -0.382 8.266 1.00 0.00 O ATOM 843 NE2 GLN A 53 -15.841 -2.202 8.663 1.00 0.00 N ATOM 0 H GLN A 53 -10.890 -1.763 7.633 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.646 -4.536 8.004 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.002 -2.229 6.541 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.751 -3.756 6.965 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.625 -3.256 9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.625 -1.846 9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.865 -3.203 8.859 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.711 -1.675 8.589 1.00 0.00 H new ATOM 852 N PRO A 54 -11.202 -5.533 5.767 1.00 0.00 N ATOM 853 CA PRO A 54 -11.065 -6.165 4.452 1.00 0.00 C ATOM 854 C PRO A 54 -12.222 -5.781 3.531 1.00 0.00 C ATOM 855 O PRO A 54 -12.076 -5.742 2.308 1.00 0.00 O ATOM 856 CB PRO A 54 -11.097 -7.663 4.762 1.00 0.00 C ATOM 857 CG PRO A 54 -10.675 -7.765 6.187 1.00 0.00 C ATOM 858 CD PRO A 54 -11.193 -6.524 6.859 1.00 0.00 C ATOM 0 HA PRO A 54 -10.157 -5.856 3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.095 -8.076 4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.422 -8.217 4.109 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.085 -8.661 6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.590 -7.830 6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.189 -6.676 7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.549 -6.212 7.681 1.00 0.00 H new ATOM 866 N ALA A 55 -13.368 -5.473 4.134 1.00 0.00 N ATOM 867 CA ALA A 55 -14.531 -5.013 3.388 1.00 0.00 C ATOM 868 C ALA A 55 -14.350 -3.567 2.933 1.00 0.00 C ATOM 869 O ALA A 55 -15.152 -3.048 2.161 1.00 0.00 O ATOM 870 CB ALA A 55 -15.792 -5.151 4.226 1.00 0.00 C ATOM 0 H ALA A 55 -13.514 -5.535 5.142 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.633 -5.639 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.650 -4.802 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.937 -6.197 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.694 -4.553 5.132 1.00 0.00 H new ATOM 876 N HIS A 56 -13.305 -2.915 3.429 1.00 0.00 N ATOM 877 CA HIS A 56 -12.968 -1.569 2.984 1.00 0.00 C ATOM 878 C HIS A 56 -11.797 -1.635 2.016 1.00 0.00 C ATOM 879 O HIS A 56 -11.527 -0.692 1.274 1.00 0.00 O ATOM 880 CB HIS A 56 -12.615 -0.665 4.170 1.00 0.00 C ATOM 881 CG HIS A 56 -12.792 0.791 3.869 1.00 0.00 C ATOM 882 ND1 HIS A 56 -14.027 1.391 3.799 1.00 0.00 N ATOM 883 CD2 HIS A 56 -11.889 1.763 3.602 1.00 0.00 C ATOM 884 CE1 HIS A 56 -13.879 2.665 3.498 1.00 0.00 C ATOM 885 NE2 HIS A 56 -12.592 2.917 3.375 1.00 0.00 N ATOM 0 H HIS A 56 -12.678 -3.296 4.138 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.837 -1.143 2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -13.240 -0.933 5.022 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.581 -0.847 4.463 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.815 1.650 3.573 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.678 3.381 3.373 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.185 3.824 3.148 1.00 0.00 H new ATOM 894 N MET A 57 -11.099 -2.765 2.039 1.00 0.00 N ATOM 895 CA MET A 57 -9.992 -3.011 1.121 1.00 0.00 C ATOM 896 C MET A 57 -10.512 -3.557 -0.203 1.00 0.00 C ATOM 897 O MET A 57 -9.739 -3.895 -1.099 1.00 0.00 O ATOM 898 CB MET A 57 -9.001 -4.002 1.732 1.00 0.00 C ATOM 899 CG MET A 57 -8.330 -3.497 2.997 1.00 0.00 C ATOM 900 SD MET A 57 -7.200 -4.707 3.709 1.00 0.00 S ATOM 901 CE MET A 57 -6.035 -4.918 2.362 1.00 0.00 C ATOM 0 H MET A 57 -11.282 -3.530 2.688 1.00 0.00 H new ATOM 0 HA MET A 57 -9.482 -2.065 0.940 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.523 -4.932 1.955 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.234 -4.236 0.994 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.783 -2.581 2.773 1.00 0.00 H new ATOM 0 HG3 MET A 57 -9.093 -3.241 3.732 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.033 -5.063 2.767 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.317 -5.789 1.770 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.046 -4.031 1.729 1.00 0.00 H new ATOM 911 N ASP A 58 -11.832 -3.625 -0.315 1.00 0.00 N ATOM 912 CA ASP A 58 -12.498 -4.130 -1.498 1.00 0.00 C ATOM 913 C ASP A 58 -12.179 -3.265 -2.712 1.00 0.00 C ATOM 914 O ASP A 58 -12.086 -3.763 -3.833 1.00 0.00 O ATOM 915 CB ASP A 58 -14.005 -4.170 -1.246 1.00 0.00 C ATOM 916 CG ASP A 58 -14.618 -2.799 -1.023 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.001 -1.967 -0.326 1.00 0.00 O ATOM 918 OD2 ASP A 58 -15.737 -2.557 -1.522 1.00 0.00 O ATOM 0 H ASP A 58 -12.472 -3.328 0.422 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.139 -5.138 -1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.495 -4.645 -2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.203 -4.794 -0.375 1.00 0.00 H new ATOM 923 N ALA A 59 -12.002 -1.971 -2.474 1.00 0.00 N ATOM 924 CA ALA A 59 -11.600 -1.042 -3.521 1.00 0.00 C ATOM 925 C ALA A 59 -10.242 -1.432 -4.098 1.00 0.00 C ATOM 926 O ALA A 59 -10.021 -1.364 -5.308 1.00 0.00 O ATOM 927 CB ALA A 59 -11.553 0.378 -2.973 1.00 0.00 C ATOM 0 H ALA A 59 -12.132 -1.540 -1.559 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.337 -1.087 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.251 1.064 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.540 0.659 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.834 0.429 -2.155 1.00 0.00 H new ATOM 933 N VAL A 60 -9.346 -1.866 -3.220 1.00 0.00 N ATOM 934 CA VAL A 60 -8.007 -2.270 -3.626 1.00 0.00 C ATOM 935 C VAL A 60 -8.070 -3.566 -4.426 1.00 0.00 C ATOM 936 O VAL A 60 -7.388 -3.721 -5.439 1.00 0.00 O ATOM 937 CB VAL A 60 -7.086 -2.477 -2.404 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.651 -2.726 -2.844 1.00 0.00 C ATOM 939 CG2 VAL A 60 -7.159 -1.281 -1.467 1.00 0.00 C ATOM 0 H VAL A 60 -9.524 -1.947 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.595 -1.471 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.434 -3.357 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.021 -2.869 -1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.612 -3.619 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.291 -1.869 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.503 -1.447 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.843 -0.383 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.184 -1.154 -1.118 1.00 0.00 H new ATOM 949 N LEU A 61 -8.916 -4.485 -3.973 1.00 0.00 N ATOM 950 CA LEU A 61 -9.079 -5.773 -4.632 1.00 0.00 C ATOM 951 C LEU A 61 -9.743 -5.603 -5.996 1.00 0.00 C ATOM 952 O LEU A 61 -9.545 -6.418 -6.901 1.00 0.00 O ATOM 953 CB LEU A 61 -9.912 -6.717 -3.757 1.00 0.00 C ATOM 954 CG LEU A 61 -9.365 -6.952 -2.344 1.00 0.00 C ATOM 955 CD1 LEU A 61 -10.275 -7.896 -1.575 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.949 -7.507 -2.400 1.00 0.00 C ATOM 0 H LEU A 61 -9.502 -4.359 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.090 -6.207 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.922 -6.315 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.992 -7.679 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.336 -5.995 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.874 -8.053 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.272 -7.461 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.333 -8.851 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.580 -7.666 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.951 -8.455 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.300 -6.798 -2.915 1.00 0.00 H new ATOM 968 N ALA A 62 -10.533 -4.543 -6.132 1.00 0.00 N ATOM 969 CA ALA A 62 -11.192 -4.234 -7.391 1.00 0.00 C ATOM 970 C ALA A 62 -10.189 -3.713 -8.414 1.00 0.00 C ATOM 971 O ALA A 62 -10.204 -4.125 -9.575 1.00 0.00 O ATOM 972 CB ALA A 62 -12.308 -3.220 -7.173 1.00 0.00 C ATOM 0 H ALA A 62 -10.732 -3.882 -5.381 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.630 -5.153 -7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.791 -3.000 -8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.042 -3.631 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.890 -2.303 -6.757 1.00 0.00 H new ATOM 978 N LEU A 63 -9.314 -2.809 -7.978 1.00 0.00 N ATOM 979 CA LEU A 63 -8.281 -2.260 -8.854 1.00 0.00 C ATOM 980 C LEU A 63 -7.244 -3.328 -9.180 1.00 0.00 C ATOM 981 O LEU A 63 -6.719 -3.377 -10.295 1.00 0.00 O ATOM 982 CB LEU A 63 -7.602 -1.056 -8.190 1.00 0.00 C ATOM 983 CG LEU A 63 -8.533 0.109 -7.844 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.760 1.220 -7.153 1.00 0.00 C ATOM 985 CD2 LEU A 63 -9.216 0.635 -9.098 1.00 0.00 C ATOM 0 H LEU A 63 -9.299 -2.442 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.752 -1.930 -9.780 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.113 -1.393 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.819 -0.689 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.300 -0.254 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.437 2.040 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.316 0.837 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.972 1.581 -7.814 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.874 1.463 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.462 0.982 -9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.802 -0.163 -9.555 1.00 0.00 H new ATOM 997 N ASN A 64 -6.974 -4.177 -8.188 1.00 0.00 N ATOM 998 CA ASN A 64 -6.112 -5.356 -8.333 1.00 0.00 C ATOM 999 C ASN A 64 -4.764 -5.029 -8.974 1.00 0.00 C ATOM 1000 O ASN A 64 -4.598 -5.134 -10.193 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.827 -6.453 -9.129 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.064 -7.766 -9.124 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.209 -8.574 -8.210 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.262 -7.995 -10.153 1.00 0.00 N ATOM 0 H ASN A 64 -7.352 -4.066 -7.247 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.906 -5.717 -7.326 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.821 -6.612 -8.710 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.964 -6.120 -10.158 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.737 -8.868 -10.206 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.169 -7.298 -10.892 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.785 -4.608 -8.160 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.426 -4.350 -8.629 1.00 0.00 C ATOM 1013 C PRO A 65 -1.618 -5.636 -8.775 1.00 0.00 C ATOM 1014 O PRO A 65 -2.076 -6.713 -8.388 1.00 0.00 O ATOM 1015 CB PRO A 65 -1.844 -3.476 -7.521 1.00 0.00 C ATOM 1016 CG PRO A 65 -2.548 -3.922 -6.286 1.00 0.00 C ATOM 1017 CD PRO A 65 -3.930 -4.344 -6.716 1.00 0.00 C ATOM 0 HA PRO A 65 -2.406 -3.887 -9.615 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.766 -3.611 -7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.018 -2.418 -7.717 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.018 -4.749 -5.814 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.598 -3.116 -5.554 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.262 -5.232 -6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.665 -3.562 -6.524 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.417 -5.524 -9.323 1.00 0.00 N ATOM 1026 CA ALA A 66 0.457 -6.677 -9.482 1.00 0.00 C ATOM 1027 C ALA A 66 1.107 -7.026 -8.150 1.00 0.00 C ATOM 1028 O ALA A 66 1.330 -8.197 -7.839 1.00 0.00 O ATOM 1029 CB ALA A 66 1.516 -6.404 -10.543 1.00 0.00 C ATOM 0 H ALA A 66 -0.025 -4.646 -9.665 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.140 -7.527 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.160 -7.277 -10.648 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.031 -6.195 -11.496 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.116 -5.544 -10.245 1.00 0.00 H new ATOM 1035 N VAL A 67 1.413 -5.999 -7.370 1.00 0.00 N ATOM 1036 CA VAL A 67 1.972 -6.184 -6.037 1.00 0.00 C ATOM 1037 C VAL A 67 1.563 -5.018 -5.139 1.00 0.00 C ATOM 1038 O VAL A 67 1.356 -3.905 -5.624 1.00 0.00 O ATOM 1039 CB VAL A 67 3.515 -6.327 -6.091 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.161 -5.100 -6.718 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.095 -6.596 -4.710 1.00 0.00 C ATOM 0 H VAL A 67 1.283 -5.024 -7.639 1.00 0.00 H new ATOM 0 HA VAL A 67 1.574 -7.108 -5.618 1.00 0.00 H new ATOM 0 HB VAL A 67 3.741 -7.186 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.243 -5.230 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.789 -4.972 -7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.915 -4.217 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.178 -6.691 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.847 -5.770 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.675 -7.520 -4.313 1.00 0.00 H new ATOM 1051 N ILE A 68 1.411 -5.273 -3.845 1.00 0.00 N ATOM 1052 CA ILE A 68 0.980 -4.234 -2.919 1.00 0.00 C ATOM 1053 C ILE A 68 1.963 -4.077 -1.759 1.00 0.00 C ATOM 1054 O ILE A 68 2.441 -5.058 -1.185 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.445 -4.514 -2.377 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -0.871 -3.423 -1.387 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.518 -5.890 -1.731 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.290 -3.578 -0.879 1.00 0.00 C ATOM 0 H ILE A 68 1.578 -6.183 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 68 0.957 -3.299 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.138 -4.500 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.188 -3.430 -0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.772 -2.450 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.527 -6.064 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.267 -6.652 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.189 -5.941 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.518 -2.770 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.983 -3.540 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.391 -4.535 -0.368 1.00 0.00 H new ATOM 1070 N LEU A 69 2.274 -2.830 -1.439 1.00 0.00 N ATOM 1071 CA LEU A 69 3.135 -2.510 -0.314 1.00 0.00 C ATOM 1072 C LEU A 69 2.315 -1.824 0.766 1.00 0.00 C ATOM 1073 O LEU A 69 1.596 -0.867 0.484 1.00 0.00 O ATOM 1074 CB LEU A 69 4.280 -1.587 -0.744 1.00 0.00 C ATOM 1075 CG LEU A 69 5.175 -2.111 -1.868 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.242 -1.084 -2.207 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.819 -3.429 -1.476 1.00 0.00 C ATOM 0 H LEU A 69 1.937 -2.015 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 69 3.563 -3.436 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.854 -0.635 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.904 -1.385 0.126 1.00 0.00 H new ATOM 0 HG LEU A 69 4.556 -2.283 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.874 -1.467 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.766 -0.158 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.852 -0.889 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.451 -3.782 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.426 -3.286 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.043 -4.167 -1.273 1.00 0.00 H new ATOM 1089 N LEU A 70 2.408 -2.314 1.986 1.00 0.00 N ATOM 1090 CA LEU A 70 1.673 -1.729 3.092 1.00 0.00 C ATOM 1091 C LEU A 70 2.623 -0.994 4.024 1.00 0.00 C ATOM 1092 O LEU A 70 3.486 -1.609 4.649 1.00 0.00 O ATOM 1093 CB LEU A 70 0.914 -2.816 3.859 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.010 -2.308 4.968 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.108 -1.429 4.389 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.611 -3.477 5.735 1.00 0.00 C ATOM 0 H LEU A 70 2.985 -3.116 2.238 1.00 0.00 H new ATOM 0 HA LEU A 70 0.952 -1.015 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.320 -3.392 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.639 -3.502 4.298 1.00 0.00 H new ATOM 0 HG LEU A 70 0.580 -1.707 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.755 -1.078 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.660 -0.574 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.697 -2.005 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.266 -3.099 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.187 -4.102 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.188 -4.068 6.182 1.00 0.00 H new ATOM 1108 N GLY A 71 2.476 0.319 4.092 1.00 0.00 N ATOM 1109 CA GLY A 71 3.298 1.116 4.977 1.00 0.00 C ATOM 1110 C GLY A 71 2.500 1.637 6.149 1.00 0.00 C ATOM 1111 O GLY A 71 1.693 2.553 5.999 1.00 0.00 O ATOM 0 H GLY A 71 1.797 0.850 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.132 0.516 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.725 1.953 4.424 1.00 0.00 H new ATOM 1115 N THR A 72 2.708 1.054 7.313 1.00 0.00 N ATOM 1116 CA THR A 72 1.928 1.408 8.484 1.00 0.00 C ATOM 1117 C THR A 72 2.622 2.483 9.326 1.00 0.00 C ATOM 1118 O THR A 72 3.148 2.205 10.404 1.00 0.00 O ATOM 1119 CB THR A 72 1.642 0.159 9.339 1.00 0.00 C ATOM 1120 OG1 THR A 72 2.870 -0.484 9.702 1.00 0.00 O ATOM 1121 CG2 THR A 72 0.765 -0.824 8.577 1.00 0.00 C ATOM 0 H THR A 72 3.411 0.333 7.474 1.00 0.00 H new ATOM 0 HA THR A 72 0.982 1.823 8.134 1.00 0.00 H new ATOM 0 HB THR A 72 1.118 0.478 10.240 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.282 -0.004 10.451 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.575 -1.699 9.198 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.181 -0.346 8.323 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.273 -1.132 7.663 1.00 0.00 H new ATOM 1129 N GLY A 73 2.629 3.714 8.819 1.00 0.00 N ATOM 1130 CA GLY A 73 3.256 4.818 9.527 1.00 0.00 C ATOM 1131 C GLY A 73 4.703 4.538 9.873 1.00 0.00 C ATOM 1132 O GLY A 73 5.462 4.051 9.038 1.00 0.00 O ATOM 0 H GLY A 73 2.209 3.967 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.200 5.717 8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.700 5.021 10.442 1.00 0.00 H new ATOM 1136 N GLU A 74 5.082 4.839 11.104 1.00 0.00 N ATOM 1137 CA GLU A 74 6.407 4.500 11.597 1.00 0.00 C ATOM 1138 C GLU A 74 6.267 3.391 12.638 1.00 0.00 C ATOM 1139 O GLU A 74 7.125 3.191 13.497 1.00 0.00 O ATOM 1140 CB GLU A 74 7.087 5.734 12.198 1.00 0.00 C ATOM 1141 CG GLU A 74 8.596 5.589 12.356 1.00 0.00 C ATOM 1142 CD GLU A 74 9.332 5.547 11.028 1.00 0.00 C ATOM 1143 OE1 GLU A 74 8.975 4.721 10.163 1.00 0.00 O ATOM 1144 OE2 GLU A 74 10.278 6.349 10.846 1.00 0.00 O ATOM 0 H GLU A 74 4.489 5.319 11.782 1.00 0.00 H new ATOM 0 HA GLU A 74 7.032 4.150 10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.879 6.597 11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.647 5.941 13.174 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.975 6.422 12.949 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.811 4.677 12.913 1.00 0.00 H new ATOM 1151 N ARG A 75 5.158 2.672 12.538 1.00 0.00 N ATOM 1152 CA ARG A 75 4.836 1.594 13.459 1.00 0.00 C ATOM 1153 C ARG A 75 4.494 0.337 12.675 1.00 0.00 C ATOM 1154 O ARG A 75 3.361 0.181 12.227 1.00 0.00 O ATOM 1155 CB ARG A 75 3.632 1.978 14.326 1.00 0.00 C ATOM 1156 CG ARG A 75 3.879 3.137 15.279 1.00 0.00 C ATOM 1157 CD ARG A 75 4.812 2.739 16.410 1.00 0.00 C ATOM 1158 NE ARG A 75 4.412 1.475 17.030 1.00 0.00 N ATOM 1159 CZ ARG A 75 3.329 1.317 17.801 1.00 0.00 C ATOM 1160 NH1 ARG A 75 2.546 2.355 18.090 1.00 0.00 N ATOM 1161 NH2 ARG A 75 3.042 0.121 18.292 1.00 0.00 N ATOM 0 H ARG A 75 4.455 2.821 11.814 1.00 0.00 H new ATOM 0 HA ARG A 75 5.700 1.413 14.098 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.798 2.234 13.673 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.327 1.107 14.906 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.308 3.976 14.730 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.930 3.478 15.692 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.829 2.650 16.027 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.824 3.526 17.165 1.00 0.00 H new ATOM 0 HE ARG A 75 4.999 0.658 16.863 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.769 3.280 17.723 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.723 2.225 18.678 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.645 -0.675 18.082 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.218 -0.005 18.880 1.00 0.00 H new ATOM 1175 N GLN A 76 5.462 -0.551 12.490 1.00 0.00 N ATOM 1176 CA GLN A 76 5.225 -1.762 11.717 1.00 0.00 C ATOM 1177 C GLN A 76 4.278 -2.691 12.468 1.00 0.00 C ATOM 1178 O GLN A 76 4.684 -3.407 13.385 1.00 0.00 O ATOM 1179 CB GLN A 76 6.538 -2.484 11.407 1.00 0.00 C ATOM 1180 CG GLN A 76 6.369 -3.669 10.468 1.00 0.00 C ATOM 1181 CD GLN A 76 7.659 -4.428 10.227 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.785 -3.734 10.291 1.00 0.00 O flip ATOM 1183 NE2 GLN A 76 7.643 -5.635 9.986 1.00 0.00 N flip ATOM 0 H GLN A 76 6.408 -0.457 12.860 1.00 0.00 H new ATOM 0 HA GLN A 76 4.765 -1.475 10.772 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.238 -1.776 10.964 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.983 -2.830 12.340 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.626 -4.350 10.883 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.979 -3.315 9.513 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.755 -6.135 9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.518 -6.135 9.827 1.00 0.00 H new ATOM 1192 N GLN A 77 3.012 -2.652 12.091 1.00 0.00 N ATOM 1193 CA GLN A 77 2.004 -3.489 12.719 1.00 0.00 C ATOM 1194 C GLN A 77 1.750 -4.718 11.865 1.00 0.00 C ATOM 1195 O GLN A 77 1.837 -4.659 10.638 1.00 0.00 O ATOM 1196 CB GLN A 77 0.696 -2.714 12.904 1.00 0.00 C ATOM 1197 CG GLN A 77 0.813 -1.465 13.770 1.00 0.00 C ATOM 1198 CD GLN A 77 1.074 -1.766 15.235 1.00 0.00 C ATOM 1199 OE1 GLN A 77 1.733 -2.744 15.582 1.00 0.00 O ATOM 1200 NE2 GLN A 77 0.528 -0.934 16.109 1.00 0.00 N ATOM 0 H GLN A 77 2.656 -2.047 11.350 1.00 0.00 H new ATOM 0 HA GLN A 77 2.371 -3.794 13.699 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.319 -2.425 11.923 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.045 -3.379 13.348 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.620 -0.841 13.386 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.106 -0.886 13.684 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.012 -0.133 15.782 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.648 -1.094 17.109 1.00 0.00 H new ATOM 1209 N PHE A 78 1.442 -5.831 12.509 1.00 0.00 N ATOM 1210 CA PHE A 78 1.129 -7.055 11.795 1.00 0.00 C ATOM 1211 C PHE A 78 -0.365 -7.117 11.515 1.00 0.00 C ATOM 1212 O PHE A 78 -1.177 -7.143 12.442 1.00 0.00 O ATOM 1213 CB PHE A 78 1.586 -8.275 12.596 1.00 0.00 C ATOM 1214 CG PHE A 78 3.065 -8.286 12.860 1.00 0.00 C ATOM 1215 CD1 PHE A 78 3.950 -8.710 11.883 1.00 0.00 C ATOM 1216 CD2 PHE A 78 3.568 -7.869 14.081 1.00 0.00 C ATOM 1217 CE1 PHE A 78 5.312 -8.716 12.120 1.00 0.00 C ATOM 1218 CE2 PHE A 78 4.928 -7.873 14.323 1.00 0.00 C ATOM 1219 CZ PHE A 78 5.802 -8.297 13.340 1.00 0.00 C ATOM 0 H PHE A 78 1.402 -5.911 13.525 1.00 0.00 H new ATOM 0 HA PHE A 78 1.663 -7.061 10.845 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.053 -8.299 13.547 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.313 -9.181 12.055 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.572 -9.039 10.926 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.889 -7.537 14.853 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.993 -9.049 11.350 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.308 -7.545 15.279 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.866 -8.300 13.526 1.00 0.00 H new ATOM 1229 N PRO A 79 -0.743 -7.115 10.226 1.00 0.00 N ATOM 1230 CA PRO A 79 -2.147 -7.079 9.803 1.00 0.00 C ATOM 1231 C PRO A 79 -2.928 -8.313 10.243 1.00 0.00 C ATOM 1232 O PRO A 79 -2.354 -9.382 10.469 1.00 0.00 O ATOM 1233 CB PRO A 79 -2.071 -7.022 8.271 1.00 0.00 C ATOM 1234 CG PRO A 79 -0.674 -6.607 7.961 1.00 0.00 C ATOM 1235 CD PRO A 79 0.171 -7.147 9.076 1.00 0.00 C ATOM 0 HA PRO A 79 -2.672 -6.234 10.250 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.300 -7.992 7.830 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.791 -6.310 7.868 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -0.352 -7.005 6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.593 -5.522 7.900 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.520 -8.158 8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.056 -6.533 9.246 1.00 0.00 H new ATOM 1243 N SER A 80 -4.238 -8.149 10.363 1.00 0.00 N ATOM 1244 CA SER A 80 -5.123 -9.237 10.741 1.00 0.00 C ATOM 1245 C SER A 80 -5.084 -10.351 9.696 1.00 0.00 C ATOM 1246 O SER A 80 -4.802 -10.104 8.520 1.00 0.00 O ATOM 1247 CB SER A 80 -6.547 -8.705 10.898 1.00 0.00 C ATOM 1248 OG SER A 80 -6.562 -7.561 11.737 1.00 0.00 O ATOM 0 H SER A 80 -4.714 -7.261 10.201 1.00 0.00 H new ATOM 0 HA SER A 80 -4.788 -9.653 11.691 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.956 -8.451 9.920 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.187 -9.480 11.320 1.00 0.00 H new ATOM 0 HG SER A 80 -7.481 -7.232 11.825 1.00 0.00 H new ATOM 1254 N THR A 81 -5.379 -11.571 10.127 1.00 0.00 N ATOM 1255 CA THR A 81 -5.320 -12.730 9.249 1.00 0.00 C ATOM 1256 C THR A 81 -6.318 -12.594 8.100 1.00 0.00 C ATOM 1257 O THR A 81 -6.076 -13.081 6.997 1.00 0.00 O ATOM 1258 CB THR A 81 -5.605 -14.025 10.033 1.00 0.00 C ATOM 1259 OG1 THR A 81 -4.898 -13.995 11.280 1.00 0.00 O ATOM 1260 CG2 THR A 81 -5.174 -15.246 9.233 1.00 0.00 C ATOM 0 H THR A 81 -5.663 -11.783 11.084 1.00 0.00 H new ATOM 0 HA THR A 81 -4.313 -12.781 8.836 1.00 0.00 H new ATOM 0 HB THR A 81 -6.677 -14.091 10.217 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.081 -14.818 11.780 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.385 -16.149 9.806 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.723 -15.277 8.292 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.105 -15.188 9.028 1.00 0.00 H new ATOM 1268 N ASP A 82 -7.430 -11.912 8.368 1.00 0.00 N ATOM 1269 CA ASP A 82 -8.440 -11.640 7.345 1.00 0.00 C ATOM 1270 C ASP A 82 -7.817 -10.890 6.173 1.00 0.00 C ATOM 1271 O ASP A 82 -8.083 -11.194 5.011 1.00 0.00 O ATOM 1272 CB ASP A 82 -9.591 -10.810 7.927 1.00 0.00 C ATOM 1273 CG ASP A 82 -10.309 -11.512 9.063 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -9.843 -11.413 10.217 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -11.344 -12.164 8.807 1.00 0.00 O ATOM 0 H ASP A 82 -7.656 -11.536 9.289 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.833 -12.595 6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.201 -9.857 8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.306 -10.585 7.136 1.00 0.00 H new ATOM 1280 N VAL A 83 -6.968 -9.922 6.497 1.00 0.00 N ATOM 1281 CA VAL A 83 -6.274 -9.129 5.490 1.00 0.00 C ATOM 1282 C VAL A 83 -5.285 -9.998 4.723 1.00 0.00 C ATOM 1283 O VAL A 83 -5.201 -9.931 3.495 1.00 0.00 O ATOM 1284 CB VAL A 83 -5.521 -7.943 6.135 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -4.787 -7.123 5.082 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -6.479 -7.066 6.926 1.00 0.00 C ATOM 0 H VAL A 83 -6.742 -9.666 7.458 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.023 -8.735 4.803 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.779 -8.349 6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.266 -6.295 5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.065 -7.756 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.504 -6.730 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.929 -6.237 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.248 -6.675 6.260 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.947 -7.657 7.714 1.00 0.00 H new ATOM 1296 N LEU A 84 -4.552 -10.827 5.458 1.00 0.00 N ATOM 1297 CA LEU A 84 -3.573 -11.728 4.862 1.00 0.00 C ATOM 1298 C LEU A 84 -4.259 -12.704 3.910 1.00 0.00 C ATOM 1299 O LEU A 84 -3.821 -12.898 2.775 1.00 0.00 O ATOM 1300 CB LEU A 84 -2.832 -12.500 5.957 1.00 0.00 C ATOM 1301 CG LEU A 84 -2.102 -11.637 6.989 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -1.481 -12.509 8.070 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -1.035 -10.785 6.316 1.00 0.00 C ATOM 0 H LEU A 84 -4.618 -10.893 6.474 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.854 -11.135 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.549 -13.133 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.107 -13.162 5.484 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.829 -10.973 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.966 -11.878 8.795 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.263 -13.077 8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.768 -13.198 7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.527 -10.179 7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.311 -11.432 5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.502 -10.133 5.578 1.00 0.00 H new ATOM 1315 N ALA A 85 -5.352 -13.296 4.378 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.111 -14.252 3.586 1.00 0.00 C ATOM 1317 C ALA A 85 -6.670 -13.600 2.329 1.00 0.00 C ATOM 1318 O ALA A 85 -6.656 -14.200 1.254 1.00 0.00 O ATOM 1319 CB ALA A 85 -7.237 -14.851 4.414 1.00 0.00 C ATOM 0 H ALA A 85 -5.733 -13.128 5.309 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.434 -15.050 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.795 -15.564 3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.819 -15.362 5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.905 -14.057 4.748 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.155 -12.371 2.464 1.00 0.00 N ATOM 1326 CA ALA A 86 -7.709 -11.631 1.334 1.00 0.00 C ATOM 1327 C ALA A 86 -6.675 -11.459 0.226 1.00 0.00 C ATOM 1328 O ALA A 86 -6.961 -11.704 -0.945 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.226 -10.276 1.792 1.00 0.00 C ATOM 0 H ALA A 86 -7.176 -11.863 3.348 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.541 -12.207 0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.636 -9.736 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.006 -10.418 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.407 -9.702 2.226 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.467 -11.061 0.606 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.393 -10.842 -0.357 1.00 0.00 C ATOM 1337 C CYS A 87 -4.009 -12.146 -1.056 1.00 0.00 C ATOM 1338 O CYS A 87 -3.777 -12.172 -2.266 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.176 -10.234 0.342 1.00 0.00 C ATOM 1340 SG CYS A 87 -3.540 -8.713 1.247 1.00 0.00 S ATOM 0 H CYS A 87 -5.206 -10.883 1.576 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.750 -10.146 -1.116 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.762 -10.967 1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.407 -10.028 -0.402 1.00 0.00 H new ATOM 0 HG CYS A 87 -4.268 -8.991 2.287 1.00 0.00 H new ATOM 1346 N LEU A 88 -3.975 -13.232 -0.292 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.618 -14.539 -0.832 1.00 0.00 C ATOM 1348 C LEU A 88 -4.716 -15.077 -1.746 1.00 0.00 C ATOM 1349 O LEU A 88 -4.440 -15.769 -2.726 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.351 -15.527 0.304 1.00 0.00 C ATOM 1351 CG LEU A 88 -2.196 -15.152 1.237 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -2.065 -16.171 2.356 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -0.892 -15.044 0.460 1.00 0.00 C ATOM 0 H LEU A 88 -4.191 -13.233 0.705 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.710 -14.421 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.259 -15.626 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.144 -16.506 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.414 -14.179 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.240 -15.889 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.990 -16.200 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.871 -17.156 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.084 -14.777 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.668 -16.001 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.988 -14.276 -0.308 1.00 0.00 H new ATOM 1365 N THR A 89 -5.960 -14.748 -1.427 1.00 0.00 N ATOM 1366 CA THR A 89 -7.094 -15.189 -2.227 1.00 0.00 C ATOM 1367 C THR A 89 -7.191 -14.373 -3.514 1.00 0.00 C ATOM 1368 O THR A 89 -7.652 -14.864 -4.545 1.00 0.00 O ATOM 1369 CB THR A 89 -8.412 -15.068 -1.435 1.00 0.00 C ATOM 1370 OG1 THR A 89 -8.261 -15.700 -0.156 1.00 0.00 O ATOM 1371 CG2 THR A 89 -9.571 -15.713 -2.184 1.00 0.00 C ATOM 0 H THR A 89 -6.210 -14.177 -0.620 1.00 0.00 H new ATOM 0 HA THR A 89 -6.935 -16.237 -2.479 1.00 0.00 H new ATOM 0 HB THR A 89 -8.636 -14.009 -1.307 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.973 -15.036 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 89 -10.485 -15.610 -1.599 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.700 -15.221 -3.148 1.00 0.00 H new ATOM 0 HG23 THR A 89 -9.359 -16.770 -2.342 1.00 0.00 H new ATOM 1379 N ARG A 90 -6.732 -13.130 -3.452 1.00 0.00 N ATOM 1380 CA ARG A 90 -6.749 -12.258 -4.615 1.00 0.00 C ATOM 1381 C ARG A 90 -5.548 -12.552 -5.509 1.00 0.00 C ATOM 1382 O ARG A 90 -5.547 -12.231 -6.697 1.00 0.00 O ATOM 1383 CB ARG A 90 -6.741 -10.793 -4.179 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.368 -9.859 -5.197 1.00 0.00 C ATOM 1385 CD ARG A 90 -8.816 -10.237 -5.458 1.00 0.00 C ATOM 1386 NE ARG A 90 -9.482 -9.310 -6.372 1.00 0.00 N ATOM 1387 CZ ARG A 90 -10.601 -9.602 -7.032 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -11.152 -10.805 -6.915 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.165 -8.689 -7.808 1.00 0.00 N ATOM 0 H ARG A 90 -6.344 -12.705 -2.610 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.661 -12.446 -5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.275 -10.700 -3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.713 -10.482 -3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.315 -8.832 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.804 -9.898 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.856 -11.244 -5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.358 -10.261 -4.512 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.067 -8.389 -6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.718 -11.509 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.009 -11.025 -7.422 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.742 -7.765 -7.899 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.022 -8.910 -8.315 1.00 0.00 H new ATOM 1403 N GLY A 91 -4.531 -13.171 -4.922 1.00 0.00 N ATOM 1404 CA GLY A 91 -3.351 -13.541 -5.676 1.00 0.00 C ATOM 1405 C GLY A 91 -2.337 -12.421 -5.745 1.00 0.00 C ATOM 1406 O GLY A 91 -1.624 -12.282 -6.739 1.00 0.00 O ATOM 0 H GLY A 91 -4.504 -13.423 -3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.891 -14.417 -5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.643 -13.826 -6.687 1.00 0.00 H new ATOM 1410 N ILE A 92 -2.260 -11.627 -4.687 1.00 0.00 N ATOM 1411 CA ILE A 92 -1.359 -10.483 -4.659 1.00 0.00 C ATOM 1412 C ILE A 92 -0.384 -10.593 -3.489 1.00 0.00 C ATOM 1413 O ILE A 92 -0.795 -10.826 -2.350 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.143 -9.155 -4.547 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.213 -9.070 -5.641 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.193 -7.968 -4.643 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.100 -7.848 -5.533 1.00 0.00 C ATOM 0 H ILE A 92 -2.810 -11.753 -3.837 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.802 -10.485 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.638 -9.127 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.724 -9.068 -6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.835 -9.964 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.760 -7.041 -4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.464 -8.019 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.674 -7.994 -5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.832 -7.857 -6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.618 -7.858 -4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.490 -6.948 -5.607 1.00 0.00 H new ATOM 1429 N GLY A 93 0.904 -10.450 -3.778 1.00 0.00 N ATOM 1430 CA GLY A 93 1.911 -10.478 -2.732 1.00 0.00 C ATOM 1431 C GLY A 93 1.872 -9.227 -1.873 1.00 0.00 C ATOM 1432 O GLY A 93 1.857 -8.111 -2.394 1.00 0.00 O ATOM 0 H GLY A 93 1.270 -10.315 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.757 -11.355 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.899 -10.578 -3.182 1.00 0.00 H new ATOM 1436 N LEU A 94 1.856 -9.417 -0.559 1.00 0.00 N ATOM 1437 CA LEU A 94 1.753 -8.302 0.375 1.00 0.00 C ATOM 1438 C LEU A 94 3.050 -8.112 1.152 1.00 0.00 C ATOM 1439 O LEU A 94 3.562 -9.046 1.772 1.00 0.00 O ATOM 1440 CB LEU A 94 0.594 -8.541 1.352 1.00 0.00 C ATOM 1441 CG LEU A 94 0.428 -7.480 2.445 1.00 0.00 C ATOM 1442 CD1 LEU A 94 0.060 -6.133 1.841 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -0.620 -7.916 3.457 1.00 0.00 C ATOM 0 H LEU A 94 1.913 -10.334 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 94 1.563 -7.396 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.333 -8.600 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.737 -9.511 1.829 1.00 0.00 H new ATOM 0 HG LEU A 94 1.382 -7.371 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.052 -5.396 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.847 -5.813 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.879 -6.223 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.724 -7.150 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.576 -8.057 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.312 -8.854 3.919 1.00 0.00 H new ATOM 1455 N GLU A 95 3.579 -6.898 1.104 1.00 0.00 N ATOM 1456 CA GLU A 95 4.740 -6.529 1.901 1.00 0.00 C ATOM 1457 C GLU A 95 4.322 -5.581 3.018 1.00 0.00 C ATOM 1458 O GLU A 95 3.794 -4.502 2.752 1.00 0.00 O ATOM 1459 CB GLU A 95 5.803 -5.861 1.028 1.00 0.00 C ATOM 1460 CG GLU A 95 6.486 -6.801 0.051 1.00 0.00 C ATOM 1461 CD GLU A 95 7.297 -7.867 0.752 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.949 -7.549 1.766 1.00 0.00 O ATOM 1463 OE2 GLU A 95 7.284 -9.031 0.296 1.00 0.00 O ATOM 0 H GLU A 95 3.219 -6.146 0.516 1.00 0.00 H new ATOM 0 HA GLU A 95 5.164 -7.435 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.340 -5.048 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.559 -5.414 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.734 -7.276 -0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.137 -6.226 -0.608 1.00 0.00 H new ATOM 1470 N ALA A 96 4.548 -5.984 4.260 1.00 0.00 N ATOM 1471 CA ALA A 96 4.172 -5.165 5.407 1.00 0.00 C ATOM 1472 C ALA A 96 5.393 -4.463 5.993 1.00 0.00 C ATOM 1473 O ALA A 96 6.290 -5.110 6.536 1.00 0.00 O ATOM 1474 CB ALA A 96 3.487 -6.019 6.466 1.00 0.00 C ATOM 0 H ALA A 96 4.989 -6.872 4.501 1.00 0.00 H new ATOM 0 HA ALA A 96 3.471 -4.402 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.212 -5.394 7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.590 -6.472 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.168 -6.803 6.797 1.00 0.00 H new ATOM 1480 N MET A 97 5.426 -3.142 5.868 1.00 0.00 N ATOM 1481 CA MET A 97 6.555 -2.345 6.336 1.00 0.00 C ATOM 1482 C MET A 97 6.067 -1.008 6.885 1.00 0.00 C ATOM 1483 O MET A 97 4.869 -0.792 7.051 1.00 0.00 O ATOM 1484 CB MET A 97 7.545 -2.094 5.190 1.00 0.00 C ATOM 1485 CG MET A 97 8.172 -3.356 4.614 1.00 0.00 C ATOM 1486 SD MET A 97 9.256 -3.015 3.214 1.00 0.00 S ATOM 1487 CE MET A 97 9.780 -4.678 2.793 1.00 0.00 C ATOM 0 H MET A 97 4.677 -2.595 5.443 1.00 0.00 H new ATOM 0 HA MET A 97 7.058 -2.898 7.129 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.030 -1.561 4.391 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.339 -1.439 5.549 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.740 -3.863 5.394 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.382 -4.039 4.300 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.459 -4.641 1.941 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.292 -5.125 3.645 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.908 -5.280 2.536 1.00 0.00 H new ATOM 1497 N THR A 98 7.003 -0.118 7.174 1.00 0.00 N ATOM 1498 CA THR A 98 6.673 1.236 7.586 1.00 0.00 C ATOM 1499 C THR A 98 6.660 2.151 6.368 1.00 0.00 C ATOM 1500 O THR A 98 7.069 1.737 5.287 1.00 0.00 O ATOM 1501 CB THR A 98 7.698 1.755 8.609 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.023 1.519 8.115 1.00 0.00 O ATOM 1503 CG2 THR A 98 7.525 1.070 9.954 1.00 0.00 C ATOM 0 H THR A 98 8.004 -0.311 7.130 1.00 0.00 H new ATOM 0 HA THR A 98 5.687 1.229 8.052 1.00 0.00 H new ATOM 0 HB THR A 98 7.536 2.824 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.678 1.850 8.764 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.263 1.457 10.657 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.523 1.266 10.336 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.665 -0.004 9.836 1.00 0.00 H new ATOM 1511 N ASN A 99 6.207 3.387 6.535 1.00 0.00 N ATOM 1512 CA ASN A 99 6.165 4.343 5.429 1.00 0.00 C ATOM 1513 C ASN A 99 7.563 4.609 4.884 1.00 0.00 C ATOM 1514 O ASN A 99 7.747 4.772 3.678 1.00 0.00 O ATOM 1515 CB ASN A 99 5.521 5.666 5.860 1.00 0.00 C ATOM 1516 CG ASN A 99 4.007 5.587 5.929 1.00 0.00 C ATOM 1517 OD1 ASN A 99 3.380 4.818 5.209 1.00 0.00 O ATOM 1518 ND2 ASN A 99 3.410 6.398 6.788 1.00 0.00 N ATOM 0 H ASN A 99 5.863 3.753 7.423 1.00 0.00 H new ATOM 0 HA ASN A 99 5.556 3.899 4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 99 5.910 5.953 6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.808 6.450 5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.393 6.397 6.868 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.967 7.024 7.370 1.00 0.00 H new ATOM 1525 N ALA A 100 8.547 4.641 5.772 1.00 0.00 N ATOM 1526 CA ALA A 100 9.923 4.891 5.372 1.00 0.00 C ATOM 1527 C ALA A 100 10.510 3.679 4.654 1.00 0.00 C ATOM 1528 O ALA A 100 11.181 3.815 3.629 1.00 0.00 O ATOM 1529 CB ALA A 100 10.766 5.252 6.584 1.00 0.00 C ATOM 0 H ALA A 100 8.417 4.497 6.773 1.00 0.00 H new ATOM 0 HA ALA A 100 9.931 5.731 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.794 5.437 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.363 6.149 7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 100 10.747 4.429 7.299 1.00 0.00 H new ATOM 1535 N ALA A 101 10.243 2.493 5.188 1.00 0.00 N ATOM 1536 CA ALA A 101 10.753 1.260 4.603 1.00 0.00 C ATOM 1537 C ALA A 101 10.054 0.949 3.284 1.00 0.00 C ATOM 1538 O ALA A 101 10.696 0.557 2.310 1.00 0.00 O ATOM 1539 CB ALA A 101 10.593 0.101 5.577 1.00 0.00 C ATOM 0 H ALA A 101 9.676 2.360 6.025 1.00 0.00 H new ATOM 0 HA ALA A 101 11.815 1.398 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.979 -0.812 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.147 0.315 6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.538 -0.031 5.815 1.00 0.00 H new ATOM 1545 N ALA A 102 8.741 1.144 3.255 1.00 0.00 N ATOM 1546 CA ALA A 102 7.950 0.877 2.061 1.00 0.00 C ATOM 1547 C ALA A 102 8.347 1.805 0.923 1.00 0.00 C ATOM 1548 O ALA A 102 8.321 1.410 -0.237 1.00 0.00 O ATOM 1549 CB ALA A 102 6.466 1.014 2.362 1.00 0.00 C ATOM 0 H ALA A 102 8.200 1.488 4.049 1.00 0.00 H new ATOM 0 HA ALA A 102 8.150 -0.148 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.891 0.811 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.185 0.302 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.256 2.027 2.705 1.00 0.00 H new ATOM 1555 N ALA A 103 8.723 3.036 1.260 1.00 0.00 N ATOM 1556 CA ALA A 103 9.172 3.998 0.260 1.00 0.00 C ATOM 1557 C ALA A 103 10.446 3.509 -0.423 1.00 0.00 C ATOM 1558 O ALA A 103 10.622 3.668 -1.632 1.00 0.00 O ATOM 1559 CB ALA A 103 9.401 5.361 0.895 1.00 0.00 C ATOM 0 H ALA A 103 8.725 3.390 2.217 1.00 0.00 H new ATOM 0 HA ALA A 103 8.392 4.095 -0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.736 6.066 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.470 5.718 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.162 5.278 1.671 1.00 0.00 H new ATOM 1565 N ARG A 104 11.324 2.899 0.366 1.00 0.00 N ATOM 1566 CA ARG A 104 12.559 2.323 -0.149 1.00 0.00 C ATOM 1567 C ARG A 104 12.252 1.176 -1.110 1.00 0.00 C ATOM 1568 O ARG A 104 12.795 1.112 -2.215 1.00 0.00 O ATOM 1569 CB ARG A 104 13.425 1.832 1.016 1.00 0.00 C ATOM 1570 CG ARG A 104 14.621 0.992 0.598 1.00 0.00 C ATOM 1571 CD ARG A 104 15.442 0.565 1.805 1.00 0.00 C ATOM 1572 NE ARG A 104 16.226 1.669 2.358 1.00 0.00 N ATOM 1573 CZ ARG A 104 15.959 2.280 3.515 1.00 0.00 C ATOM 1574 NH1 ARG A 104 14.885 1.940 4.221 1.00 0.00 N ATOM 1575 NH2 ARG A 104 16.772 3.230 3.958 1.00 0.00 N ATOM 0 H ARG A 104 11.201 2.791 1.373 1.00 0.00 H new ATOM 0 HA ARG A 104 13.107 3.089 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.781 2.696 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.804 1.246 1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.278 0.110 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.247 1.562 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 104 14.777 0.173 2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 104 16.111 -0.246 1.519 1.00 0.00 H new ATOM 0 HE ARG A 104 17.032 1.994 1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 104 14.261 1.209 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 104 14.686 2.410 5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 104 17.596 3.490 3.416 1.00 0.00 H new ATOM 0 HH22 ARG A 104 16.573 3.700 4.841 1.00 0.00 H new ATOM 1589 N THR A 105 11.369 0.284 -0.685 1.00 0.00 N ATOM 1590 CA THR A 105 10.966 -0.852 -1.500 1.00 0.00 C ATOM 1591 C THR A 105 10.194 -0.390 -2.742 1.00 0.00 C ATOM 1592 O THR A 105 10.338 -0.955 -3.830 1.00 0.00 O ATOM 1593 CB THR A 105 10.097 -1.817 -0.671 1.00 0.00 C ATOM 1594 OG1 THR A 105 10.730 -2.062 0.594 1.00 0.00 O ATOM 1595 CG2 THR A 105 9.894 -3.138 -1.400 1.00 0.00 C ATOM 0 H THR A 105 10.915 0.327 0.227 1.00 0.00 H new ATOM 0 HA THR A 105 11.866 -1.371 -1.828 1.00 0.00 H new ATOM 0 HB THR A 105 9.121 -1.356 -0.519 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.057 -2.346 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.277 -3.799 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.398 -2.955 -2.353 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.861 -3.607 -1.579 1.00 0.00 H new ATOM 1603 N TYR A 106 9.391 0.656 -2.572 1.00 0.00 N ATOM 1604 CA TYR A 106 8.599 1.215 -3.661 1.00 0.00 C ATOM 1605 C TYR A 106 9.501 1.767 -4.755 1.00 0.00 C ATOM 1606 O TYR A 106 9.195 1.639 -5.938 1.00 0.00 O ATOM 1607 CB TYR A 106 7.675 2.316 -3.135 1.00 0.00 C ATOM 1608 CG TYR A 106 6.807 2.958 -4.195 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.706 2.290 -4.717 1.00 0.00 C ATOM 1610 CD2 TYR A 106 7.085 4.233 -4.671 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.909 2.875 -5.683 1.00 0.00 C ATOM 1612 CE2 TYR A 106 6.292 4.824 -5.638 1.00 0.00 C ATOM 1613 CZ TYR A 106 5.205 4.140 -6.139 1.00 0.00 C ATOM 1614 OH TYR A 106 4.413 4.726 -7.099 1.00 0.00 O ATOM 0 H TYR A 106 9.272 1.137 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 106 7.991 0.416 -4.086 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.033 1.896 -2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.282 3.088 -2.662 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.469 1.298 -4.362 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.935 4.772 -4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.057 2.342 -6.079 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.523 5.816 -5.998 1.00 0.00 H new ATOM 0 HH TYR A 106 4.759 5.619 -7.308 1.00 0.00 H new ATOM 1624 N ASN A 107 10.613 2.373 -4.352 1.00 0.00 N ATOM 1625 CA ASN A 107 11.574 2.937 -5.298 1.00 0.00 C ATOM 1626 C ASN A 107 12.033 1.881 -6.301 1.00 0.00 C ATOM 1627 O ASN A 107 12.102 2.143 -7.503 1.00 0.00 O ATOM 1628 CB ASN A 107 12.780 3.519 -4.550 1.00 0.00 C ATOM 1629 CG ASN A 107 13.882 3.983 -5.486 1.00 0.00 C ATOM 1630 OD1 ASN A 107 14.809 3.236 -5.797 1.00 0.00 O ATOM 1631 ND2 ASN A 107 13.793 5.224 -5.943 1.00 0.00 N ATOM 0 H ASN A 107 10.873 2.487 -3.372 1.00 0.00 H new ATOM 0 HA ASN A 107 11.081 3.739 -5.847 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.452 4.359 -3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.179 2.766 -3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 107 14.507 5.588 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 107 13.010 5.815 -5.664 1.00 0.00 H new ATOM 1638 N VAL A 108 12.313 0.683 -5.803 1.00 0.00 N ATOM 1639 CA VAL A 108 12.756 -0.415 -6.650 1.00 0.00 C ATOM 1640 C VAL A 108 11.648 -0.841 -7.612 1.00 0.00 C ATOM 1641 O VAL A 108 11.849 -0.891 -8.826 1.00 0.00 O ATOM 1642 CB VAL A 108 13.199 -1.633 -5.809 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.687 -2.764 -6.704 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.279 -1.231 -4.815 1.00 0.00 C ATOM 0 H VAL A 108 12.240 0.448 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 108 13.611 -0.055 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 108 12.334 -1.993 -5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.993 -3.609 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.882 -3.073 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.536 -2.420 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.579 -2.102 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.142 -0.841 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.891 -0.462 -4.147 1.00 0.00 H new ATOM 1654 N LEU A 109 10.470 -1.109 -7.059 1.00 0.00 N ATOM 1655 CA LEU A 109 9.341 -1.599 -7.848 1.00 0.00 C ATOM 1656 C LEU A 109 8.893 -0.568 -8.883 1.00 0.00 C ATOM 1657 O LEU A 109 8.520 -0.920 -10.006 1.00 0.00 O ATOM 1658 CB LEU A 109 8.174 -1.964 -6.929 1.00 0.00 C ATOM 1659 CG LEU A 109 8.477 -3.053 -5.897 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.252 -3.342 -5.048 1.00 0.00 C ATOM 1661 CD2 LEU A 109 8.956 -4.321 -6.584 1.00 0.00 C ATOM 0 H LEU A 109 10.270 -0.995 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 109 9.669 -2.490 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.852 -1.066 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.336 -2.291 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 109 9.271 -2.692 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.488 -4.119 -4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.950 -2.435 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.437 -3.680 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.166 -5.084 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.182 -4.682 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.863 -4.108 -7.149 1.00 0.00 H new ATOM 1673 N ALA A 110 8.939 0.705 -8.503 1.00 0.00 N ATOM 1674 CA ALA A 110 8.564 1.789 -9.404 1.00 0.00 C ATOM 1675 C ALA A 110 9.560 1.908 -10.551 1.00 0.00 C ATOM 1676 O ALA A 110 9.201 2.314 -11.657 1.00 0.00 O ATOM 1677 CB ALA A 110 8.465 3.106 -8.648 1.00 0.00 C ATOM 0 H ALA A 110 9.233 1.011 -7.576 1.00 0.00 H new ATOM 0 HA ALA A 110 7.585 1.557 -9.823 1.00 0.00 H new ATOM 0 HB1 ALA A 110 8.184 3.902 -9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.710 3.021 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.429 3.340 -8.197 1.00 0.00 H new ATOM 1683 N SER A 111 10.808 1.541 -10.285 1.00 0.00 N ATOM 1684 CA SER A 111 11.847 1.575 -11.304 1.00 0.00 C ATOM 1685 C SER A 111 11.669 0.421 -12.288 1.00 0.00 C ATOM 1686 O SER A 111 11.952 0.558 -13.479 1.00 0.00 O ATOM 1687 CB SER A 111 13.229 1.515 -10.654 1.00 0.00 C ATOM 1688 OG SER A 111 13.422 2.608 -9.768 1.00 0.00 O ATOM 0 H SER A 111 11.124 1.216 -9.371 1.00 0.00 H new ATOM 0 HA SER A 111 11.762 2.512 -11.855 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.338 0.577 -10.110 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.999 1.527 -11.426 1.00 0.00 H new ATOM 0 HG SER A 111 12.751 2.573 -9.054 1.00 0.00 H new ATOM 1694 N GLU A 112 11.187 -0.714 -11.780 1.00 0.00 N ATOM 1695 CA GLU A 112 10.894 -1.865 -12.609 1.00 0.00 C ATOM 1696 C GLU A 112 9.695 -1.593 -13.510 1.00 0.00 C ATOM 1697 O GLU A 112 9.518 -2.242 -14.541 1.00 0.00 O ATOM 1698 CB GLU A 112 10.603 -3.072 -11.724 1.00 0.00 C ATOM 1699 CG GLU A 112 11.808 -3.592 -10.958 1.00 0.00 C ATOM 1700 CD GLU A 112 11.508 -4.882 -10.222 1.00 0.00 C ATOM 1701 OE1 GLU A 112 11.559 -5.960 -10.856 1.00 0.00 O ATOM 1702 OE2 GLU A 112 11.215 -4.834 -9.014 1.00 0.00 O ATOM 0 H GLU A 112 10.993 -0.853 -10.788 1.00 0.00 H new ATOM 0 HA GLU A 112 11.761 -2.068 -13.237 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.822 -2.806 -11.012 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.207 -3.876 -12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.634 -3.755 -11.651 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.136 -2.836 -10.244 1.00 0.00 H new ATOM 1709 N GLY A 113 8.866 -0.640 -13.103 1.00 0.00 N ATOM 1710 CA GLY A 113 7.678 -0.313 -13.864 1.00 0.00 C ATOM 1711 C GLY A 113 6.542 -1.268 -13.574 1.00 0.00 C ATOM 1712 O GLY A 113 5.615 -1.409 -14.371 1.00 0.00 O ATOM 0 H GLY A 113 8.997 -0.087 -12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.366 0.705 -13.630 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.911 -0.338 -14.929 1.00 0.00 H new ATOM 1716 N ARG A 114 6.614 -1.926 -12.426 1.00 0.00 N ATOM 1717 CA ARG A 114 5.590 -2.879 -12.035 1.00 0.00 C ATOM 1718 C ARG A 114 4.454 -2.165 -11.320 1.00 0.00 C ATOM 1719 O ARG A 114 4.687 -1.258 -10.520 1.00 0.00 O ATOM 1720 CB ARG A 114 6.183 -3.980 -11.149 1.00 0.00 C ATOM 1721 CG ARG A 114 7.249 -4.804 -11.854 1.00 0.00 C ATOM 1722 CD ARG A 114 7.735 -5.970 -11.003 1.00 0.00 C ATOM 1723 NE ARG A 114 6.660 -6.910 -10.675 1.00 0.00 N ATOM 1724 CZ ARG A 114 6.126 -7.775 -11.543 1.00 0.00 C ATOM 1725 NH1 ARG A 114 6.556 -7.822 -12.798 1.00 0.00 N ATOM 1726 NH2 ARG A 114 5.165 -8.599 -11.156 1.00 0.00 N ATOM 0 H ARG A 114 7.371 -1.816 -11.751 1.00 0.00 H new ATOM 0 HA ARG A 114 5.192 -3.349 -12.934 1.00 0.00 H new ATOM 0 HB2 ARG A 114 6.614 -3.527 -10.256 1.00 0.00 H new ATOM 0 HB3 ARG A 114 5.383 -4.641 -10.816 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.848 -5.185 -12.793 1.00 0.00 H new ATOM 0 HG3 ARG A 114 8.094 -4.163 -12.104 1.00 0.00 H new ATOM 0 HD2 ARG A 114 8.526 -6.499 -11.534 1.00 0.00 H new ATOM 0 HD3 ARG A 114 8.172 -5.586 -10.081 1.00 0.00 H new ATOM 0 HE ARG A 114 6.295 -6.904 -9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.299 -7.195 -13.106 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.143 -8.485 -13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.830 -8.575 -10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.760 -9.258 -11.821 1.00 0.00 H new ATOM 1740 N ARG A 115 3.229 -2.560 -11.636 1.00 0.00 N ATOM 1741 CA ARG A 115 2.049 -1.945 -11.049 1.00 0.00 C ATOM 1742 C ARG A 115 1.945 -2.298 -9.566 1.00 0.00 C ATOM 1743 O ARG A 115 1.339 -3.305 -9.181 1.00 0.00 O ATOM 1744 CB ARG A 115 0.788 -2.382 -11.800 1.00 0.00 C ATOM 1745 CG ARG A 115 -0.402 -1.462 -11.584 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.611 -1.931 -12.376 1.00 0.00 C ATOM 1747 NE ARG A 115 -2.717 -0.978 -12.308 1.00 0.00 N ATOM 1748 CZ ARG A 115 -3.947 -1.282 -11.892 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -4.240 -2.523 -11.514 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -4.883 -0.343 -11.864 1.00 0.00 N ATOM 0 H ARG A 115 3.027 -3.308 -12.299 1.00 0.00 H new ATOM 0 HA ARG A 115 2.141 -0.863 -11.137 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.009 -2.431 -12.866 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.519 -3.390 -11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.650 -1.427 -10.523 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.139 -0.447 -11.883 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.326 -2.081 -13.417 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.941 -2.897 -11.994 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.536 -0.017 -12.598 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.522 -3.247 -11.541 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.182 -2.750 -11.197 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.661 0.608 -12.160 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -5.825 -0.571 -11.547 1.00 0.00 H new ATOM 1764 N VAL A 116 2.577 -1.478 -8.749 1.00 0.00 N ATOM 1765 CA VAL A 116 2.589 -1.677 -7.313 1.00 0.00 C ATOM 1766 C VAL A 116 1.675 -0.672 -6.624 1.00 0.00 C ATOM 1767 O VAL A 116 1.627 0.499 -7.001 1.00 0.00 O ATOM 1768 CB VAL A 116 4.027 -1.567 -6.749 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.685 -0.264 -7.177 1.00 0.00 C ATOM 1770 CG2 VAL A 116 4.029 -1.691 -5.233 1.00 0.00 C ATOM 0 H VAL A 116 3.095 -0.657 -9.061 1.00 0.00 H new ATOM 0 HA VAL A 116 2.218 -2.682 -7.112 1.00 0.00 H new ATOM 0 HB VAL A 116 4.607 -2.393 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.694 -0.214 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.733 -0.221 -8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.100 0.578 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.051 -1.610 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.423 -0.894 -4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.615 -2.658 -4.946 1.00 0.00 H new ATOM 1780 N ALA A 117 0.927 -1.145 -5.645 1.00 0.00 N ATOM 1781 CA ALA A 117 0.069 -0.285 -4.856 1.00 0.00 C ATOM 1782 C ALA A 117 0.735 0.040 -3.527 1.00 0.00 C ATOM 1783 O ALA A 117 0.820 -0.812 -2.646 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.282 -0.948 -4.624 1.00 0.00 C ATOM 0 H ALA A 117 0.897 -2.129 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.094 0.643 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.914 -0.288 -4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.761 -1.142 -5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.139 -1.889 -4.093 1.00 0.00 H new ATOM 1790 N LEU A 118 1.239 1.256 -3.401 1.00 0.00 N ATOM 1791 CA LEU A 118 1.865 1.686 -2.165 1.00 0.00 C ATOM 1792 C LEU A 118 0.814 2.264 -1.223 1.00 0.00 C ATOM 1793 O LEU A 118 0.439 3.431 -1.331 1.00 0.00 O ATOM 1794 CB LEU A 118 2.956 2.725 -2.447 1.00 0.00 C ATOM 1795 CG LEU A 118 3.710 3.236 -1.220 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.471 2.106 -0.543 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.659 4.359 -1.608 1.00 0.00 C ATOM 0 H LEU A 118 1.226 1.961 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 118 2.330 0.822 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.677 2.291 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.501 3.576 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 118 2.980 3.628 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.000 2.494 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.770 1.333 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.189 1.680 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 118 5.188 4.711 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 118 5.380 3.990 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 118 4.091 5.182 -2.042 1.00 0.00 H new ATOM 1809 N ALA A 119 0.320 1.429 -0.327 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.664 1.860 0.646 1.00 0.00 C ATOM 1811 C ALA A 119 0.031 2.482 1.845 1.00 0.00 C ATOM 1812 O ALA A 119 0.510 1.778 2.735 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.544 0.694 1.075 1.00 0.00 C ATOM 0 H ALA A 119 0.585 0.447 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.306 2.612 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.275 1.040 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.063 0.290 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.925 -0.084 1.522 1.00 0.00 H new ATOM 1819 N MET A 120 0.111 3.801 1.843 1.00 0.00 N ATOM 1820 CA MET A 120 0.779 4.519 2.910 1.00 0.00 C ATOM 1821 C MET A 120 -0.228 4.965 3.951 1.00 0.00 C ATOM 1822 O MET A 120 -1.082 5.812 3.691 1.00 0.00 O ATOM 1823 CB MET A 120 1.544 5.726 2.367 1.00 0.00 C ATOM 1824 CG MET A 120 2.698 5.354 1.454 1.00 0.00 C ATOM 1825 SD MET A 120 3.645 6.788 0.911 1.00 0.00 S ATOM 1826 CE MET A 120 4.221 7.420 2.484 1.00 0.00 C ATOM 0 H MET A 120 -0.280 4.396 1.112 1.00 0.00 H new ATOM 0 HA MET A 120 1.497 3.843 3.375 1.00 0.00 H new ATOM 0 HB2 MET A 120 0.853 6.368 1.821 1.00 0.00 H new ATOM 0 HB3 MET A 120 1.928 6.309 3.204 1.00 0.00 H new ATOM 0 HG2 MET A 120 3.360 4.663 1.975 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.311 4.828 0.582 1.00 0.00 H new ATOM 0 HE1 MET A 120 4.938 8.223 2.313 1.00 0.00 H new ATOM 0 HE2 MET A 120 3.375 7.804 3.054 1.00 0.00 H new ATOM 0 HE3 MET A 120 4.702 6.618 3.044 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.138 4.369 5.121 1.00 0.00 N ATOM 1837 CA ILE A 121 -1.023 4.700 6.215 1.00 0.00 C ATOM 1838 C ILE A 121 -0.377 5.756 7.095 1.00 0.00 C ATOM 1839 O ILE A 121 0.536 5.466 7.870 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.360 3.449 7.052 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.030 2.395 6.166 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.252 3.811 8.235 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.315 1.091 6.877 1.00 0.00 C ATOM 0 H ILE A 121 0.547 3.645 5.339 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.952 5.091 5.801 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.434 3.034 7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -2.966 2.800 5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.390 2.197 5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.476 2.913 8.810 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.738 4.531 8.872 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.181 4.249 7.870 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -2.790 0.395 6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.381 0.662 7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -2.981 1.274 7.720 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.816 6.992 6.944 1.00 0.00 N ATOM 1856 CA VAL A 122 -0.312 8.064 7.778 1.00 0.00 C ATOM 1857 C VAL A 122 -1.148 8.159 9.046 1.00 0.00 C ATOM 1858 O VAL A 122 -2.258 8.688 9.042 1.00 0.00 O ATOM 1859 CB VAL A 122 -0.321 9.422 7.040 1.00 0.00 C ATOM 1860 CG1 VAL A 122 0.252 10.520 7.921 1.00 0.00 C ATOM 1861 CG2 VAL A 122 0.456 9.325 5.734 1.00 0.00 C ATOM 0 H VAL A 122 -1.515 7.276 6.257 1.00 0.00 H new ATOM 0 HA VAL A 122 0.723 7.834 8.030 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.355 9.677 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.235 11.466 7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.347 10.609 8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 122 1.279 10.273 8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.439 10.290 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.488 9.044 5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.002 8.571 5.093 1.00 0.00 H new ATOM 1871 N GLY A 123 -0.609 7.616 10.123 1.00 0.00 N ATOM 1872 CA GLY A 123 -1.298 7.644 11.392 1.00 0.00 C ATOM 1873 C GLY A 123 -0.366 8.030 12.516 1.00 0.00 C ATOM 1874 O GLY A 123 0.266 7.173 13.130 1.00 0.00 O ATOM 0 H GLY A 123 0.300 7.153 10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -2.125 8.352 11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.730 6.664 11.595 1.00 0.00 H new ATOM 1878 N GLY A 124 -0.266 9.325 12.771 1.00 0.00 N ATOM 1879 CA GLY A 124 0.629 9.808 13.801 1.00 0.00 C ATOM 1880 C GLY A 124 -0.087 10.664 14.819 1.00 0.00 C ATOM 1881 O GLY A 124 0.416 11.710 15.222 1.00 0.00 O ATOM 0 H GLY A 124 -0.789 10.051 12.282 1.00 0.00 H new ATOM 0 HA2 GLY A 124 1.094 8.960 14.304 1.00 0.00 H new ATOM 0 HA3 GLY A 124 1.431 10.386 13.342 1.00 0.00 H new ATOM 1885 N LEU A 125 -1.257 10.207 15.246 1.00 0.00 N ATOM 1886 CA LEU A 125 -2.087 10.970 16.173 1.00 0.00 C ATOM 1887 C LEU A 125 -1.656 10.733 17.618 1.00 0.00 C ATOM 1888 O LEU A 125 -2.277 11.241 18.553 1.00 0.00 O ATOM 1889 CB LEU A 125 -3.576 10.632 15.996 1.00 0.00 C ATOM 1890 CG LEU A 125 -4.004 9.205 16.369 1.00 0.00 C ATOM 1891 CD1 LEU A 125 -5.516 9.132 16.490 1.00 0.00 C ATOM 1892 CD2 LEU A 125 -3.524 8.196 15.334 1.00 0.00 C ATOM 0 H LEU A 125 -1.654 9.310 14.965 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.949 12.026 15.942 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -4.158 11.331 16.597 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.844 10.807 14.954 1.00 0.00 H new ATOM 0 HG LEU A 125 -3.547 8.956 17.327 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -5.811 8.117 16.755 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -5.853 9.821 17.264 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -5.971 9.405 15.538 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.843 7.195 15.626 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.949 8.442 14.361 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -2.436 8.227 15.273 1.00 0.00 H new ATOM 1904 N GLU A 126 -0.593 9.952 17.791 1.00 0.00 N ATOM 1905 CA GLU A 126 0.005 9.741 19.101 1.00 0.00 C ATOM 1906 C GLU A 126 0.477 11.089 19.657 1.00 0.00 C ATOM 1907 O GLU A 126 0.285 11.397 20.834 1.00 0.00 O ATOM 1908 CB GLU A 126 1.163 8.745 18.978 1.00 0.00 C ATOM 1909 CG GLU A 126 1.605 8.111 20.292 1.00 0.00 C ATOM 1910 CD GLU A 126 2.469 9.022 21.137 1.00 0.00 C ATOM 1911 OE1 GLU A 126 3.525 9.462 20.646 1.00 0.00 O ATOM 1912 OE2 GLU A 126 2.103 9.291 22.300 1.00 0.00 O ATOM 0 H GLU A 126 -0.127 9.453 17.033 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.726 9.322 19.792 1.00 0.00 H new ATOM 0 HB2 GLU A 126 0.870 7.953 18.289 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.017 9.256 18.532 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.722 7.826 20.864 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.156 7.195 20.078 1.00 0.00 H new ATOM 1919 N HIS A 127 1.080 11.890 18.785 1.00 0.00 N ATOM 1920 CA HIS A 127 1.395 13.280 19.096 1.00 0.00 C ATOM 1921 C HIS A 127 1.006 14.166 17.925 1.00 0.00 C ATOM 1922 O HIS A 127 1.836 14.519 17.085 1.00 0.00 O ATOM 1923 CB HIS A 127 2.872 13.474 19.450 1.00 0.00 C ATOM 1924 CG HIS A 127 3.196 13.130 20.869 1.00 0.00 C ATOM 1925 ND1 HIS A 127 2.550 13.698 21.946 1.00 0.00 N ATOM 1926 CD2 HIS A 127 4.098 12.269 21.389 1.00 0.00 C ATOM 1927 CE1 HIS A 127 3.042 13.200 23.065 1.00 0.00 C ATOM 1928 NE2 HIS A 127 3.983 12.329 22.755 1.00 0.00 N ATOM 0 H HIS A 127 1.362 11.597 17.850 1.00 0.00 H new ATOM 0 HA HIS A 127 0.819 13.564 19.977 1.00 0.00 H new ATOM 0 HB2 HIS A 127 3.480 12.858 18.787 1.00 0.00 H new ATOM 0 HB3 HIS A 127 3.149 14.512 19.264 1.00 0.00 H new ATOM 0 HD2 HIS A 127 4.784 11.648 20.832 1.00 0.00 H new ATOM 0 HE1 HIS A 127 2.728 13.461 24.065 1.00 0.00 H new ATOM 0 HE2 HIS A 127 4.535 11.789 23.421 1.00 0.00 H new ATOM 1937 N HIS A 128 -0.275 14.489 17.867 1.00 0.00 N ATOM 1938 CA HIS A 128 -0.841 15.275 16.783 1.00 0.00 C ATOM 1939 C HIS A 128 -2.087 15.989 17.295 1.00 0.00 C ATOM 1940 O HIS A 128 -3.191 15.793 16.785 1.00 0.00 O ATOM 1941 CB HIS A 128 -1.167 14.355 15.596 1.00 0.00 C ATOM 1942 CG HIS A 128 -1.697 15.048 14.373 1.00 0.00 C ATOM 1943 ND1 HIS A 128 -0.992 16.000 13.669 1.00 0.00 N ATOM 1944 CD2 HIS A 128 -2.872 14.895 13.720 1.00 0.00 C ATOM 1945 CE1 HIS A 128 -1.711 16.399 12.636 1.00 0.00 C ATOM 1946 NE2 HIS A 128 -2.853 15.742 12.646 1.00 0.00 N ATOM 0 H HIS A 128 -0.956 14.212 18.574 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.127 16.023 16.438 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.264 13.810 15.322 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -1.899 13.616 15.921 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -3.676 14.228 13.995 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -1.414 17.138 11.907 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -3.603 15.848 11.963 1.00 0.00 H new ATOM 1955 N HIS A 129 -1.878 16.804 18.330 1.00 0.00 N ATOM 1956 CA HIS A 129 -2.957 17.496 19.031 1.00 0.00 C ATOM 1957 C HIS A 129 -4.087 16.527 19.373 1.00 0.00 C ATOM 1958 O HIS A 129 -3.906 15.640 20.210 1.00 0.00 O ATOM 1959 CB HIS A 129 -3.474 18.685 18.214 1.00 0.00 C ATOM 1960 CG HIS A 129 -2.430 19.728 17.959 1.00 0.00 C ATOM 1961 ND1 HIS A 129 -1.875 20.496 18.959 1.00 0.00 N ATOM 1962 CD2 HIS A 129 -1.826 20.120 16.812 1.00 0.00 C ATOM 1963 CE1 HIS A 129 -0.979 21.313 18.441 1.00 0.00 C ATOM 1964 NE2 HIS A 129 -0.928 21.106 17.140 1.00 0.00 N ATOM 0 H HIS A 129 -0.951 17.003 18.706 1.00 0.00 H new ATOM 0 HA HIS A 129 -2.556 17.889 19.965 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -3.856 18.322 17.260 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -4.312 19.141 18.740 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -2.015 19.730 15.823 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -0.387 22.030 18.990 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -0.321 21.598 16.484 1.00 0.00 H new ATOM 1973 N HIS A 130 -5.242 16.695 18.721 1.00 0.00 N ATOM 1974 CA HIS A 130 -6.361 15.758 18.859 1.00 0.00 C ATOM 1975 C HIS A 130 -6.870 15.720 20.307 1.00 0.00 C ATOM 1976 O HIS A 130 -7.566 14.792 20.715 1.00 0.00 O ATOM 1977 CB HIS A 130 -5.912 14.365 18.395 1.00 0.00 C ATOM 1978 CG HIS A 130 -7.022 13.388 18.164 1.00 0.00 C ATOM 1979 ND1 HIS A 130 -7.118 12.198 18.849 1.00 0.00 N ATOM 1980 CD2 HIS A 130 -8.060 13.409 17.297 1.00 0.00 C ATOM 1981 CE1 HIS A 130 -8.165 11.525 18.413 1.00 0.00 C ATOM 1982 NE2 HIS A 130 -8.755 12.238 17.473 1.00 0.00 N ATOM 0 H HIS A 130 -5.426 17.475 18.090 1.00 0.00 H new ATOM 0 HA HIS A 130 -7.189 16.093 18.234 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -5.344 14.472 17.471 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -5.233 13.951 19.141 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -8.297 14.198 16.598 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -8.485 10.556 18.765 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -9.593 11.964 16.960 1.00 0.00 H new ATOM 1991 N HIS A 131 -6.538 16.749 21.072 1.00 0.00 N ATOM 1992 CA HIS A 131 -6.916 16.815 22.474 1.00 0.00 C ATOM 1993 C HIS A 131 -8.093 17.762 22.664 1.00 0.00 C ATOM 1994 O HIS A 131 -7.906 18.956 22.904 1.00 0.00 O ATOM 1995 CB HIS A 131 -5.721 17.260 23.332 1.00 0.00 C ATOM 1996 CG HIS A 131 -6.032 17.425 24.793 1.00 0.00 C ATOM 1997 ND1 HIS A 131 -5.615 18.514 25.529 1.00 0.00 N ATOM 1998 CD2 HIS A 131 -6.715 16.635 25.655 1.00 0.00 C ATOM 1999 CE1 HIS A 131 -6.027 18.386 26.774 1.00 0.00 C ATOM 2000 NE2 HIS A 131 -6.697 17.259 26.877 1.00 0.00 N ATOM 0 H HIS A 131 -6.005 17.553 20.742 1.00 0.00 H new ATOM 0 HA HIS A 131 -7.220 15.820 22.798 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -4.920 16.529 23.224 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -5.344 18.206 22.944 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -7.186 15.691 25.424 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.845 19.088 27.574 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -7.133 16.905 27.729 1.00 0.00 H new ATOM 2009 N HIS A 132 -9.296 17.234 22.501 1.00 0.00 N ATOM 2010 CA HIS A 132 -10.512 17.997 22.743 1.00 0.00 C ATOM 2011 C HIS A 132 -11.723 17.081 22.626 1.00 0.00 C ATOM 2012 O HIS A 132 -12.308 17.001 21.528 1.00 0.00 O ATOM 2013 CB HIS A 132 -10.637 19.166 21.761 1.00 0.00 C ATOM 2014 CG HIS A 132 -11.729 20.127 22.118 1.00 0.00 C ATOM 2015 ND1 HIS A 132 -12.883 20.271 21.380 1.00 0.00 N ATOM 2016 CD2 HIS A 132 -11.835 21.001 23.148 1.00 0.00 C ATOM 2017 CE1 HIS A 132 -13.649 21.189 21.940 1.00 0.00 C ATOM 2018 NE2 HIS A 132 -13.035 21.646 23.014 1.00 0.00 N ATOM 2019 OXT HIS A 132 -12.068 16.426 23.623 1.00 0.00 O ATOM 0 H HIS A 132 -9.457 16.273 22.200 1.00 0.00 H new ATOM 0 HA HIS A 132 -10.465 18.410 23.751 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -9.689 19.702 21.723 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -10.821 18.773 20.761 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -11.107 21.159 23.930 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -14.615 21.511 21.580 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -13.396 22.364 23.643 1.00 0.00 H new TER 2028 HIS A 132