USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 877 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 13 MET CE :methyl -133:sc= -0.622 (180deg=-4.08!) USER MOD Set 1.2: A 95 GLN : amide:sc= 0 K(o=1.9,f=-1.1) USER MOD Set 1.3: A 96 LYS NZ :NH3+ 176:sc= 2.56 (180deg=2.4) USER MOD Set 2.1: A 15 SER OG : rot -39:sc= 0.171 USER MOD Set 2.2: A 78 LYS NZ :NH3+ -167:sc= 1.21 (180deg=0.932) USER MOD Set 3.1: A 51 ASN : amide:sc= 0.912 K(o=2,f=-3) USER MOD Set 3.2: A 54 LYS NZ :NH3+ -170:sc= 1.07 (180deg=0) USER MOD Set 4.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 14 GLN : amide:sc= 0.595 K(o=1.6,f=-3.7!) USER MOD Set 5.2: A 82 HIS : no HE2:sc= 0.979 K(o=1.6,f=-6.6!) USER MOD Set 6.1: A 1 MET CE :methyl 139:sc= -0.11 (180deg=-0.654) USER MOD Set 6.2: A 4 ASN : amide:sc= -1.59! C(o=-1.7!,f=-5.8!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 3 LYS NZ :NH3+ 142:sc= 0.181 (180deg=-1.55) USER MOD Single : A 6 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0032) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -124:sc= 1.18 (180deg=-0.274) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 32 THR OG1 : rot 46:sc= 0.292 USER MOD Single : A 34 THR OG1 : rot 79:sc= 0.0173 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc=-0.00432 (180deg=-0.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -1.42 USER MOD Single : A 43 ASN : amide:sc= 0.268 X(o=0.27,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 1.11 K(o=1.1,f=-6.1!) USER MOD Single : A 50 MET CE :methyl 143:sc= -0.199 (180deg=-2.65!) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.14) USER MOD Single : A 55 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.6!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 63 SER OG : rot -92:sc= 1.24 USER MOD Single : A 67 ASN : amide:sc= -0.0445 X(o=-0.045,f=0) USER MOD Single : A 68 THR OG1 : rot -86:sc= 0.482 USER MOD Single : A 72 LYS NZ :NH3+ 145:sc= 1.11 (180deg=0.0527) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0246) USER MOD Single : A 87 SER OG : rot 40:sc= 0.328 USER MOD Single : A 88 ASN : amide:sc= -0.0107 K(o=-0.011,f=-0.89) USER MOD Single : A 91 SER OG : rot 33:sc= 1.12 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HE2:sc= 1.26 K(o=1.3,f=-5.3!) USER MOD Single : A 105 HIS : +bothHN:sc= 1.35 K(o=1.4,f=-9!) USER MOD Single : A 106 HIS : no HD1:sc= -0.0656 X(o=-0.066,f=-0.066) USER MOD Single : A 107 HIS : no HD1:sc= -0.0666 X(o=-0.067,f=-0.06) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.232 -14.173 -20.919 1.00 0.00 N ATOM 2 CA MET A 1 -1.719 -14.588 -19.594 1.00 0.00 C ATOM 3 C MET A 1 -2.585 -15.711 -19.037 1.00 0.00 C ATOM 4 O MET A 1 -3.619 -15.465 -18.418 1.00 0.00 O ATOM 5 CB MET A 1 -1.704 -13.393 -18.633 1.00 0.00 C ATOM 6 CG MET A 1 -1.051 -13.686 -17.291 1.00 0.00 C ATOM 7 SD MET A 1 -1.066 -12.258 -16.186 1.00 0.00 S ATOM 8 CE MET A 1 -2.828 -12.028 -15.951 1.00 0.00 C ATOM 0 H1 MET A 1 -1.639 -13.407 -21.296 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.207 -14.983 -21.570 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.212 -13.837 -20.822 1.00 0.00 H new ATOM 0 HA MET A 1 -0.697 -14.952 -19.704 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.178 -12.565 -19.108 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.729 -13.064 -18.462 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.569 -14.517 -16.812 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.021 -14.004 -17.454 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.028 -11.788 -14.907 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.176 -11.211 -16.584 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.354 -12.944 -16.220 1.00 0.00 H new ATOM 20 N ASN A 2 -2.175 -16.945 -19.290 1.00 0.00 N ATOM 21 CA ASN A 2 -2.965 -18.109 -18.896 1.00 0.00 C ATOM 22 C ASN A 2 -2.448 -18.718 -17.595 1.00 0.00 C ATOM 23 O ASN A 2 -3.210 -18.920 -16.652 1.00 0.00 O ATOM 24 CB ASN A 2 -2.947 -19.156 -20.016 1.00 0.00 C ATOM 25 CG ASN A 2 -3.835 -20.354 -19.724 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.868 -20.238 -19.061 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.443 -21.511 -20.235 1.00 0.00 N ATOM 0 H ASN A 2 -1.301 -17.169 -19.766 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.990 -17.781 -18.726 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.270 -18.690 -20.947 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.924 -19.498 -20.169 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.003 -22.350 -20.086 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.581 -21.563 -20.778 1.00 0.00 H new ATOM 34 N LYS A 3 -1.152 -19.005 -17.549 1.00 0.00 N ATOM 35 CA LYS A 3 -0.551 -19.642 -16.378 1.00 0.00 C ATOM 36 C LYS A 3 -0.475 -18.685 -15.191 1.00 0.00 C ATOM 37 O LYS A 3 -0.510 -19.119 -14.038 1.00 0.00 O ATOM 38 CB LYS A 3 0.844 -20.179 -16.714 1.00 0.00 C ATOM 39 CG LYS A 3 1.778 -19.145 -17.322 1.00 0.00 C ATOM 40 CD LYS A 3 3.135 -19.749 -17.637 1.00 0.00 C ATOM 41 CE LYS A 3 4.044 -18.751 -18.333 1.00 0.00 C ATOM 42 NZ LYS A 3 4.307 -17.553 -17.495 1.00 0.00 N ATOM 0 H LYS A 3 -0.497 -18.808 -18.306 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.194 -20.475 -16.094 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.298 -20.573 -15.805 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.743 -21.014 -17.408 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.336 -18.743 -18.233 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.900 -18.310 -16.632 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.606 -20.089 -16.714 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.005 -20.627 -18.270 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.989 -19.234 -18.580 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.588 -18.442 -19.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.294 -17.252 -17.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.671 -16.782 -17.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.140 -17.785 -16.495 1.00 0.00 H new ATOM 56 N ASN A 4 -0.352 -17.387 -15.487 1.00 0.00 N ATOM 57 CA ASN A 4 -0.310 -16.342 -14.455 1.00 0.00 C ATOM 58 C ASN A 4 0.932 -16.477 -13.577 1.00 0.00 C ATOM 59 O ASN A 4 1.024 -15.857 -12.517 1.00 0.00 O ATOM 60 CB ASN A 4 -1.570 -16.394 -13.582 1.00 0.00 C ATOM 61 CG ASN A 4 -2.839 -16.093 -14.356 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.844 -15.278 -15.277 1.00 0.00 O ATOM 63 ND2 ASN A 4 -3.922 -16.770 -14.003 1.00 0.00 N ATOM 0 H ASN A 4 -0.279 -17.032 -16.440 1.00 0.00 H new ATOM 0 HA ASN A 4 -0.268 -15.380 -14.965 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.652 -17.383 -13.130 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.470 -15.678 -12.766 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.800 -16.623 -14.501 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.878 -17.438 -13.233 1.00 0.00 H new ATOM 70 N GLU A 5 1.892 -17.270 -14.034 1.00 0.00 N ATOM 71 CA GLU A 5 3.098 -17.534 -13.267 1.00 0.00 C ATOM 72 C GLU A 5 4.241 -16.652 -13.757 1.00 0.00 C ATOM 73 O GLU A 5 4.346 -16.367 -14.949 1.00 0.00 O ATOM 74 CB GLU A 5 3.471 -19.018 -13.364 1.00 0.00 C ATOM 75 CG GLU A 5 4.702 -19.406 -12.556 1.00 0.00 C ATOM 76 CD GLU A 5 4.574 -19.071 -11.081 1.00 0.00 C ATOM 77 OE1 GLU A 5 4.007 -19.890 -10.328 1.00 0.00 O ATOM 78 OE2 GLU A 5 5.055 -17.993 -10.666 1.00 0.00 O ATOM 0 H GLU A 5 1.857 -17.743 -14.937 1.00 0.00 H new ATOM 0 HA GLU A 5 2.911 -17.296 -12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.625 -19.617 -13.026 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.643 -19.270 -14.410 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.879 -20.476 -12.666 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.574 -18.895 -12.965 1.00 0.00 H new ATOM 85 N GLN A 6 5.096 -16.252 -12.827 1.00 0.00 N ATOM 86 CA GLN A 6 6.176 -15.301 -13.087 1.00 0.00 C ATOM 87 C GLN A 6 7.098 -15.780 -14.205 1.00 0.00 C ATOM 88 O GLN A 6 7.422 -15.024 -15.125 1.00 0.00 O ATOM 89 CB GLN A 6 6.993 -15.108 -11.813 1.00 0.00 C ATOM 90 CG GLN A 6 6.159 -14.710 -10.609 1.00 0.00 C ATOM 91 CD GLN A 6 6.784 -15.162 -9.308 1.00 0.00 C ATOM 92 OE1 GLN A 6 7.580 -14.445 -8.701 1.00 0.00 O ATOM 93 NE2 GLN A 6 6.440 -16.367 -8.878 1.00 0.00 N ATOM 0 H GLN A 6 5.062 -16.579 -11.861 1.00 0.00 H new ATOM 0 HA GLN A 6 5.725 -14.360 -13.402 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.522 -16.034 -11.587 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.749 -14.343 -11.989 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.038 -13.627 -10.595 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.162 -15.141 -10.701 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.777 -16.929 -9.412 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.839 -16.733 -8.013 1.00 0.00 H new ATOM 102 N ASN A 7 7.521 -17.035 -14.107 1.00 0.00 N ATOM 103 CA ASN A 7 8.470 -17.614 -15.050 1.00 0.00 C ATOM 104 C ASN A 7 7.980 -17.505 -16.489 1.00 0.00 C ATOM 105 O ASN A 7 7.035 -18.189 -16.890 1.00 0.00 O ATOM 106 CB ASN A 7 8.734 -19.083 -14.714 1.00 0.00 C ATOM 107 CG ASN A 7 9.787 -19.700 -15.618 1.00 0.00 C ATOM 108 OD1 ASN A 7 9.476 -20.243 -16.682 1.00 0.00 O ATOM 109 ND2 ASN A 7 11.040 -19.638 -15.195 1.00 0.00 N ATOM 0 H ASN A 7 7.217 -17.677 -13.375 1.00 0.00 H new ATOM 0 HA ASN A 7 9.396 -17.045 -14.960 1.00 0.00 H new ATOM 0 HB2 ASN A 7 9.057 -19.164 -13.676 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.805 -19.647 -14.804 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.788 -20.048 -15.754 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.257 -19.180 -14.310 1.00 0.00 H new ATOM 116 N GLY A 8 8.622 -16.626 -17.249 1.00 0.00 N ATOM 117 CA GLY A 8 8.349 -16.506 -18.667 1.00 0.00 C ATOM 118 C GLY A 8 6.915 -16.132 -18.972 1.00 0.00 C ATOM 119 O GLY A 8 6.264 -16.769 -19.803 1.00 0.00 O ATOM 0 H GLY A 8 9.336 -15.986 -16.901 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.012 -15.754 -19.095 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.582 -17.452 -19.156 1.00 0.00 H new ATOM 123 N ASP A 9 6.397 -15.125 -18.286 1.00 0.00 N ATOM 124 CA ASP A 9 5.069 -14.621 -18.597 1.00 0.00 C ATOM 125 C ASP A 9 5.191 -13.381 -19.472 1.00 0.00 C ATOM 126 O ASP A 9 6.243 -13.149 -20.070 1.00 0.00 O ATOM 127 CB ASP A 9 4.279 -14.315 -17.324 1.00 0.00 C ATOM 128 CG ASP A 9 2.798 -14.575 -17.516 1.00 0.00 C ATOM 129 OD1 ASP A 9 2.096 -13.676 -18.020 1.00 0.00 O ATOM 130 OD2 ASP A 9 2.344 -15.701 -17.202 1.00 0.00 O ATOM 0 H ASP A 9 6.869 -14.646 -17.519 1.00 0.00 H new ATOM 0 HA ASP A 9 4.520 -15.390 -19.140 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.654 -14.928 -16.505 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.433 -13.274 -17.040 1.00 0.00 H new ATOM 135 N GLU A 10 4.129 -12.595 -19.563 1.00 0.00 N ATOM 136 CA GLU A 10 4.122 -11.433 -20.441 1.00 0.00 C ATOM 137 C GLU A 10 5.083 -10.352 -19.952 1.00 0.00 C ATOM 138 O GLU A 10 6.106 -10.087 -20.584 1.00 0.00 O ATOM 139 CB GLU A 10 2.708 -10.864 -20.567 1.00 0.00 C ATOM 140 CG GLU A 10 1.698 -11.871 -21.091 1.00 0.00 C ATOM 141 CD GLU A 10 2.166 -12.554 -22.361 1.00 0.00 C ATOM 142 OE1 GLU A 10 2.043 -11.951 -23.446 1.00 0.00 O ATOM 143 OE2 GLU A 10 2.657 -13.700 -22.278 1.00 0.00 O ATOM 0 H GLU A 10 3.264 -12.739 -19.042 1.00 0.00 H new ATOM 0 HA GLU A 10 4.461 -11.763 -21.423 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.380 -10.505 -19.591 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.729 -10.001 -21.233 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.509 -12.624 -20.326 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.751 -11.366 -21.281 1.00 0.00 H new ATOM 150 N THR A 11 4.759 -9.738 -18.828 1.00 0.00 N ATOM 151 CA THR A 11 5.551 -8.635 -18.311 1.00 0.00 C ATOM 152 C THR A 11 6.350 -9.060 -17.083 1.00 0.00 C ATOM 153 O THR A 11 5.840 -9.781 -16.224 1.00 0.00 O ATOM 154 CB THR A 11 4.645 -7.440 -17.944 1.00 0.00 C ATOM 155 OG1 THR A 11 3.833 -7.079 -19.071 1.00 0.00 O ATOM 156 CG2 THR A 11 5.467 -6.236 -17.505 1.00 0.00 C ATOM 0 H THR A 11 3.952 -9.984 -18.255 1.00 0.00 H new ATOM 0 HA THR A 11 6.245 -8.334 -19.095 1.00 0.00 H new ATOM 0 HB THR A 11 4.010 -7.744 -17.112 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.259 -6.321 -18.832 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.799 -5.412 -17.254 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.062 -6.501 -16.631 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.129 -5.932 -18.316 1.00 0.00 H new ATOM 164 N LYS A 12 7.607 -8.635 -17.017 1.00 0.00 N ATOM 165 CA LYS A 12 8.426 -8.846 -15.830 1.00 0.00 C ATOM 166 C LYS A 12 7.839 -8.065 -14.661 1.00 0.00 C ATOM 167 O LYS A 12 7.769 -6.836 -14.700 1.00 0.00 O ATOM 168 CB LYS A 12 9.872 -8.404 -16.079 1.00 0.00 C ATOM 169 CG LYS A 12 10.760 -8.514 -14.848 1.00 0.00 C ATOM 170 CD LYS A 12 12.119 -7.871 -15.071 1.00 0.00 C ATOM 171 CE LYS A 12 12.930 -7.851 -13.784 1.00 0.00 C ATOM 172 NZ LYS A 12 14.220 -7.124 -13.937 1.00 0.00 N ATOM 0 H LYS A 12 8.081 -8.141 -17.773 1.00 0.00 H new ATOM 0 HA LYS A 12 8.430 -9.910 -15.594 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.296 -9.011 -16.879 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.873 -7.371 -16.427 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.267 -8.037 -14.001 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.893 -9.564 -14.589 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.663 -8.420 -15.840 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.988 -6.853 -15.438 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.343 -7.381 -12.995 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.128 -8.875 -13.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.736 -7.138 -13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.794 -7.586 -14.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.033 -6.139 -14.213 1.00 0.00 H new ATOM 186 N MET A 13 7.404 -8.772 -13.633 1.00 0.00 N ATOM 187 CA MET A 13 6.771 -8.131 -12.494 1.00 0.00 C ATOM 188 C MET A 13 7.696 -8.157 -11.286 1.00 0.00 C ATOM 189 O MET A 13 8.088 -9.224 -10.813 1.00 0.00 O ATOM 190 CB MET A 13 5.444 -8.822 -12.159 1.00 0.00 C ATOM 191 CG MET A 13 4.550 -9.037 -13.370 1.00 0.00 C ATOM 192 SD MET A 13 2.903 -9.641 -12.940 1.00 0.00 S ATOM 193 CE MET A 13 2.216 -8.191 -12.148 1.00 0.00 C ATOM 0 H MET A 13 7.477 -9.787 -13.563 1.00 0.00 H new ATOM 0 HA MET A 13 6.567 -7.092 -12.754 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.652 -9.786 -11.695 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.907 -8.224 -11.423 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.455 -8.098 -13.915 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.027 -9.749 -14.044 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.737 -8.480 -11.212 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.013 -7.477 -11.942 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.478 -7.732 -12.806 1.00 0.00 H new ATOM 203 N GLN A 14 8.054 -6.978 -10.802 1.00 0.00 N ATOM 204 CA GLN A 14 8.902 -6.865 -9.631 1.00 0.00 C ATOM 205 C GLN A 14 8.062 -6.971 -8.366 1.00 0.00 C ATOM 206 O GLN A 14 6.845 -6.791 -8.403 1.00 0.00 O ATOM 207 CB GLN A 14 9.691 -5.550 -9.639 1.00 0.00 C ATOM 208 CG GLN A 14 10.934 -5.585 -10.519 1.00 0.00 C ATOM 209 CD GLN A 14 10.680 -5.223 -11.974 1.00 0.00 C ATOM 210 OE1 GLN A 14 9.589 -5.420 -12.511 1.00 0.00 O ATOM 211 NE2 GLN A 14 11.707 -4.700 -12.624 1.00 0.00 N ATOM 0 H GLN A 14 7.769 -6.085 -11.205 1.00 0.00 H new ATOM 0 HA GLN A 14 9.620 -7.685 -9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.038 -4.747 -9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.986 -5.308 -8.618 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.674 -4.898 -10.110 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.368 -6.584 -10.476 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.594 -4.553 -12.142 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.612 -4.444 -13.607 1.00 0.00 H new ATOM 220 N SER A 15 8.710 -7.260 -7.251 1.00 0.00 N ATOM 221 CA SER A 15 7.999 -7.482 -6.005 1.00 0.00 C ATOM 222 C SER A 15 8.095 -6.272 -5.086 1.00 0.00 C ATOM 223 O SER A 15 9.185 -5.760 -4.825 1.00 0.00 O ATOM 224 CB SER A 15 8.558 -8.713 -5.304 1.00 0.00 C ATOM 225 OG SER A 15 8.509 -9.845 -6.156 1.00 0.00 O ATOM 0 H SER A 15 9.724 -7.346 -7.183 1.00 0.00 H new ATOM 0 HA SER A 15 6.947 -7.641 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.588 -8.527 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.987 -8.911 -4.397 1.00 0.00 H new ATOM 0 HG SER A 15 7.676 -9.830 -6.673 1.00 0.00 H new ATOM 231 N LEU A 16 6.946 -5.821 -4.609 1.00 0.00 N ATOM 232 CA LEU A 16 6.883 -4.730 -3.657 1.00 0.00 C ATOM 233 C LEU A 16 6.287 -5.252 -2.355 1.00 0.00 C ATOM 234 O LEU A 16 5.102 -5.583 -2.291 1.00 0.00 O ATOM 235 CB LEU A 16 6.030 -3.588 -4.230 1.00 0.00 C ATOM 236 CG LEU A 16 6.223 -2.200 -3.605 1.00 0.00 C ATOM 237 CD1 LEU A 16 5.477 -1.159 -4.421 1.00 0.00 C ATOM 238 CD2 LEU A 16 5.743 -2.163 -2.165 1.00 0.00 C ATOM 0 H LEU A 16 6.036 -6.200 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 16 7.882 -4.340 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.237 -3.512 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.980 -3.864 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 16 7.290 -1.977 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.618 -0.176 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.862 -1.151 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.415 -1.402 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.896 -1.164 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.682 -2.412 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.306 -2.887 -1.575 1.00 0.00 H new ATOM 250 N VAL A 17 7.117 -5.351 -1.331 1.00 0.00 N ATOM 251 CA VAL A 17 6.665 -5.802 -0.029 1.00 0.00 C ATOM 252 C VAL A 17 6.304 -4.601 0.834 1.00 0.00 C ATOM 253 O VAL A 17 7.157 -3.763 1.131 1.00 0.00 O ATOM 254 CB VAL A 17 7.740 -6.649 0.686 1.00 0.00 C ATOM 255 CG1 VAL A 17 7.225 -7.162 2.022 1.00 0.00 C ATOM 256 CG2 VAL A 17 8.188 -7.804 -0.198 1.00 0.00 C ATOM 0 H VAL A 17 8.110 -5.124 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 17 5.787 -6.430 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 17 8.603 -6.011 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.000 -7.756 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.963 -6.318 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.343 -7.781 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.946 -8.389 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.333 -8.440 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.607 -7.412 -1.125 1.00 0.00 H new ATOM 266 N GLY A 18 5.045 -4.512 1.228 1.00 0.00 N ATOM 267 CA GLY A 18 4.594 -3.371 1.988 1.00 0.00 C ATOM 268 C GLY A 18 3.488 -3.721 2.952 1.00 0.00 C ATOM 269 O GLY A 18 2.809 -4.738 2.794 1.00 0.00 O ATOM 0 H GLY A 18 4.328 -5.211 1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.434 -2.951 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.244 -2.598 1.304 1.00 0.00 H new ATOM 273 N TYR A 19 3.319 -2.889 3.964 1.00 0.00 N ATOM 274 CA TYR A 19 2.289 -3.100 4.965 1.00 0.00 C ATOM 275 C TYR A 19 1.053 -2.289 4.625 1.00 0.00 C ATOM 276 O TYR A 19 1.141 -1.083 4.387 1.00 0.00 O ATOM 277 CB TYR A 19 2.811 -2.719 6.351 1.00 0.00 C ATOM 278 CG TYR A 19 3.957 -3.590 6.817 1.00 0.00 C ATOM 279 CD1 TYR A 19 5.250 -3.377 6.353 1.00 0.00 C ATOM 280 CD2 TYR A 19 3.742 -4.633 7.709 1.00 0.00 C ATOM 281 CE1 TYR A 19 6.294 -4.179 6.765 1.00 0.00 C ATOM 282 CE2 TYR A 19 4.784 -5.440 8.123 1.00 0.00 C ATOM 283 CZ TYR A 19 6.056 -5.208 7.648 1.00 0.00 C ATOM 284 OH TYR A 19 7.095 -6.015 8.047 1.00 0.00 O ATOM 0 H TYR A 19 3.887 -2.055 4.115 1.00 0.00 H new ATOM 0 HA TYR A 19 2.021 -4.156 4.973 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.137 -1.679 6.336 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.995 -2.787 7.071 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.440 -2.571 5.659 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.746 -4.816 8.084 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.293 -4.000 6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.602 -6.249 8.815 1.00 0.00 H new ATOM 0 HH TYR A 19 6.762 -6.692 8.672 1.00 0.00 H new ATOM 294 N VAL A 20 -0.092 -2.956 4.592 1.00 0.00 N ATOM 295 CA VAL A 20 -1.353 -2.294 4.310 1.00 0.00 C ATOM 296 C VAL A 20 -1.795 -1.523 5.544 1.00 0.00 C ATOM 297 O VAL A 20 -2.350 -2.102 6.478 1.00 0.00 O ATOM 298 CB VAL A 20 -2.463 -3.297 3.909 1.00 0.00 C ATOM 299 CG1 VAL A 20 -3.678 -2.560 3.367 1.00 0.00 C ATOM 300 CG2 VAL A 20 -1.952 -4.314 2.896 1.00 0.00 C ATOM 0 H VAL A 20 -0.171 -3.959 4.758 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.196 -1.621 3.467 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.760 -3.843 4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.447 -3.281 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.068 -1.889 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.391 -1.981 2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.755 -5.003 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.614 -3.796 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.121 -4.872 3.328 1.00 0.00 H new ATOM 310 N VAL A 21 -1.504 -0.228 5.562 1.00 0.00 N ATOM 311 CA VAL A 21 -1.810 0.604 6.718 1.00 0.00 C ATOM 312 C VAL A 21 -3.044 1.470 6.467 1.00 0.00 C ATOM 313 O VAL A 21 -3.865 1.676 7.366 1.00 0.00 O ATOM 314 CB VAL A 21 -0.603 1.495 7.108 1.00 0.00 C ATOM 315 CG1 VAL A 21 -0.209 2.426 5.970 1.00 0.00 C ATOM 316 CG2 VAL A 21 -0.897 2.288 8.375 1.00 0.00 C ATOM 0 H VAL A 21 -1.057 0.268 4.791 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.023 -0.068 7.550 1.00 0.00 H new ATOM 0 HB VAL A 21 0.241 0.835 7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.640 3.037 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.065 1.836 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.050 3.073 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.034 2.905 8.627 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.765 2.927 8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.103 1.600 9.195 1.00 0.00 H new ATOM 326 N LEU A 22 -3.188 1.961 5.245 1.00 0.00 N ATOM 327 CA LEU A 22 -4.320 2.808 4.909 1.00 0.00 C ATOM 328 C LEU A 22 -4.891 2.396 3.564 1.00 0.00 C ATOM 329 O LEU A 22 -4.168 2.295 2.588 1.00 0.00 O ATOM 330 CB LEU A 22 -3.888 4.280 4.889 1.00 0.00 C ATOM 331 CG LEU A 22 -5.016 5.297 4.697 1.00 0.00 C ATOM 332 CD1 LEU A 22 -6.061 5.150 5.789 1.00 0.00 C ATOM 333 CD2 LEU A 22 -4.459 6.710 4.690 1.00 0.00 C ATOM 0 H LEU A 22 -2.540 1.789 4.476 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.096 2.689 5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.377 4.503 5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.160 4.416 4.089 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.492 5.103 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.854 5.882 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.483 4.145 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.597 5.317 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.273 7.421 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.960 6.909 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.744 6.815 3.874 1.00 0.00 H new ATOM 345 N LYS A 23 -6.183 2.133 3.517 1.00 0.00 N ATOM 346 CA LYS A 23 -6.810 1.673 2.289 1.00 0.00 C ATOM 347 C LYS A 23 -8.230 2.197 2.184 1.00 0.00 C ATOM 348 O LYS A 23 -9.036 1.998 3.092 1.00 0.00 O ATOM 349 CB LYS A 23 -6.816 0.140 2.240 1.00 0.00 C ATOM 350 CG LYS A 23 -7.504 -0.434 1.011 1.00 0.00 C ATOM 351 CD LYS A 23 -7.493 -1.953 1.029 1.00 0.00 C ATOM 352 CE LYS A 23 -8.188 -2.533 -0.193 1.00 0.00 C ATOM 353 NZ LYS A 23 -9.639 -2.203 -0.228 1.00 0.00 N ATOM 0 H LYS A 23 -6.818 2.229 4.310 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.234 2.056 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.787 -0.219 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.312 -0.240 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.533 -0.076 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.004 -0.076 0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.464 -2.309 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.987 -2.310 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.709 -2.152 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.064 -3.616 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.193 -3.081 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.900 -1.691 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.839 -1.607 -1.056 1.00 0.00 H new ATOM 367 N ASP A 24 -8.535 2.863 1.080 1.00 0.00 N ATOM 368 CA ASP A 24 -9.891 3.347 0.849 1.00 0.00 C ATOM 369 C ASP A 24 -10.750 2.242 0.255 1.00 0.00 C ATOM 370 O ASP A 24 -11.635 1.700 0.916 1.00 0.00 O ATOM 371 CB ASP A 24 -9.913 4.606 -0.043 1.00 0.00 C ATOM 372 CG ASP A 24 -8.920 4.581 -1.194 1.00 0.00 C ATOM 373 OD1 ASP A 24 -9.019 3.693 -2.070 1.00 0.00 O ATOM 374 OD2 ASP A 24 -8.044 5.471 -1.235 1.00 0.00 O ATOM 0 H ASP A 24 -7.871 3.080 0.337 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.308 3.636 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.917 4.731 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.709 5.479 0.577 1.00 0.00 H new ATOM 379 N ASN A 25 -10.473 1.904 -0.984 1.00 0.00 N ATOM 380 CA ASN A 25 -11.154 0.821 -1.667 1.00 0.00 C ATOM 381 C ASN A 25 -10.255 0.272 -2.762 1.00 0.00 C ATOM 382 O ASN A 25 -9.853 -0.889 -2.723 1.00 0.00 O ATOM 383 CB ASN A 25 -12.475 1.303 -2.271 1.00 0.00 C ATOM 384 CG ASN A 25 -13.259 0.179 -2.922 1.00 0.00 C ATOM 385 OD1 ASN A 25 -13.218 -0.965 -2.472 1.00 0.00 O ATOM 386 ND2 ASN A 25 -13.971 0.499 -3.993 1.00 0.00 N ATOM 0 H ASN A 25 -9.767 2.373 -1.551 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.376 0.036 -0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.082 1.761 -1.490 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.272 2.077 -3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.513 -0.216 -4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.977 1.461 -4.333 1.00 0.00 H new ATOM 393 N GLU A 26 -9.906 1.135 -3.708 1.00 0.00 N ATOM 394 CA GLU A 26 -9.066 0.744 -4.833 1.00 0.00 C ATOM 395 C GLU A 26 -7.613 1.118 -4.582 1.00 0.00 C ATOM 396 O GLU A 26 -6.704 0.576 -5.214 1.00 0.00 O ATOM 397 CB GLU A 26 -9.550 1.413 -6.117 1.00 0.00 C ATOM 398 CG GLU A 26 -10.921 0.946 -6.575 1.00 0.00 C ATOM 399 CD GLU A 26 -11.341 1.593 -7.876 1.00 0.00 C ATOM 400 OE1 GLU A 26 -10.645 1.399 -8.890 1.00 0.00 O ATOM 401 OE2 GLU A 26 -12.371 2.300 -7.890 1.00 0.00 O ATOM 0 H GLU A 26 -10.193 2.114 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.136 -0.338 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.576 2.492 -5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.828 1.220 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.912 -0.137 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.657 1.174 -5.804 1.00 0.00 H new ATOM 408 N ARG A 27 -7.387 2.049 -3.673 1.00 0.00 N ATOM 409 CA ARG A 27 -6.044 2.500 -3.363 1.00 0.00 C ATOM 410 C ARG A 27 -5.568 1.920 -2.047 1.00 0.00 C ATOM 411 O ARG A 27 -6.223 2.077 -1.007 1.00 0.00 O ATOM 412 CB ARG A 27 -5.982 4.020 -3.318 1.00 0.00 C ATOM 413 CG ARG A 27 -6.233 4.683 -4.657 1.00 0.00 C ATOM 414 CD ARG A 27 -6.388 6.182 -4.511 1.00 0.00 C ATOM 415 NE ARG A 27 -7.574 6.532 -3.731 1.00 0.00 N ATOM 416 CZ ARG A 27 -8.470 7.439 -4.118 1.00 0.00 C ATOM 417 NH1 ARG A 27 -8.292 8.112 -5.245 1.00 0.00 N ATOM 418 NH2 ARG A 27 -9.539 7.679 -3.371 1.00 0.00 N ATOM 0 H ARG A 27 -8.121 2.509 -3.134 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.383 2.147 -4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.717 4.383 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.001 4.323 -2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.406 4.465 -5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.133 4.265 -5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.501 6.594 -4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.455 6.638 -5.499 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.724 6.056 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.467 7.936 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.980 8.806 -5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.676 7.169 -2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.224 8.374 -3.669 1.00 0.00 H new ATOM 432 N ALA A 28 -4.438 1.239 -2.096 1.00 0.00 N ATOM 433 CA ALA A 28 -3.824 0.701 -0.906 1.00 0.00 C ATOM 434 C ALA A 28 -2.533 1.446 -0.606 1.00 0.00 C ATOM 435 O ALA A 28 -1.568 1.382 -1.369 1.00 0.00 O ATOM 436 CB ALA A 28 -3.562 -0.790 -1.058 1.00 0.00 C ATOM 0 H ALA A 28 -3.927 1.047 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.510 0.836 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.099 -1.173 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.505 -1.309 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.895 -0.958 -1.903 1.00 0.00 H new ATOM 442 N ILE A 29 -2.541 2.176 0.491 1.00 0.00 N ATOM 443 CA ILE A 29 -1.376 2.908 0.933 1.00 0.00 C ATOM 444 C ILE A 29 -0.490 1.995 1.769 1.00 0.00 C ATOM 445 O ILE A 29 -0.849 1.613 2.894 1.00 0.00 O ATOM 446 CB ILE A 29 -1.777 4.156 1.747 1.00 0.00 C ATOM 447 CG1 ILE A 29 -2.604 5.102 0.868 1.00 0.00 C ATOM 448 CG2 ILE A 29 -0.544 4.860 2.295 1.00 0.00 C ATOM 449 CD1 ILE A 29 -3.005 6.391 1.550 1.00 0.00 C ATOM 0 H ILE A 29 -3.354 2.277 1.098 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.825 3.247 0.056 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.386 3.846 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.031 5.341 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.504 4.582 0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.849 5.737 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.006 4.178 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.096 5.170 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.587 7.002 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.607 6.165 2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.111 6.936 1.852 1.00 0.00 H new ATOM 461 N LEU A 30 0.651 1.641 1.193 1.00 0.00 N ATOM 462 CA LEU A 30 1.564 0.689 1.807 1.00 0.00 C ATOM 463 C LEU A 30 2.838 1.379 2.251 1.00 0.00 C ATOM 464 O LEU A 30 3.333 2.288 1.581 1.00 0.00 O ATOM 465 CB LEU A 30 1.927 -0.416 0.809 1.00 0.00 C ATOM 466 CG LEU A 30 0.753 -1.097 0.109 1.00 0.00 C ATOM 467 CD1 LEU A 30 1.260 -2.163 -0.848 1.00 0.00 C ATOM 468 CD2 LEU A 30 -0.203 -1.703 1.118 1.00 0.00 C ATOM 0 H LEU A 30 0.967 2.003 0.293 1.00 0.00 H new ATOM 0 HA LEU A 30 1.064 0.257 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.581 0.010 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.503 -1.178 1.334 1.00 0.00 H new ATOM 0 HG LEU A 30 0.210 -0.343 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.414 -2.641 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.904 -1.703 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.827 -2.911 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.030 -2.182 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.324 -2.445 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.591 -0.919 1.768 1.00 0.00 H new ATOM 480 N ILE A 31 3.367 0.947 3.382 1.00 0.00 N ATOM 481 CA ILE A 31 4.666 1.403 3.833 1.00 0.00 C ATOM 482 C ILE A 31 5.685 0.294 3.605 1.00 0.00 C ATOM 483 O ILE A 31 5.503 -0.830 4.083 1.00 0.00 O ATOM 484 CB ILE A 31 4.659 1.796 5.324 1.00 0.00 C ATOM 485 CG1 ILE A 31 3.459 2.695 5.634 1.00 0.00 C ATOM 486 CG2 ILE A 31 5.959 2.505 5.682 1.00 0.00 C ATOM 487 CD1 ILE A 31 3.274 2.972 7.110 1.00 0.00 C ATOM 0 H ILE A 31 2.914 0.279 4.005 1.00 0.00 H new ATOM 0 HA ILE A 31 4.928 2.293 3.261 1.00 0.00 H new ATOM 0 HB ILE A 31 4.575 0.891 5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.580 3.642 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.555 2.227 5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.945 2.779 6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.801 1.840 5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.062 3.404 5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.406 3.615 7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.121 2.032 7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.162 3.469 7.501 1.00 0.00 H new ATOM 499 N THR A 32 6.733 0.596 2.856 1.00 0.00 N ATOM 500 CA THR A 32 7.739 -0.400 2.522 1.00 0.00 C ATOM 501 C THR A 32 8.675 -0.667 3.697 1.00 0.00 C ATOM 502 O THR A 32 9.579 0.126 3.968 1.00 0.00 O ATOM 503 CB THR A 32 8.560 0.034 1.292 1.00 0.00 C ATOM 504 OG1 THR A 32 9.030 1.377 1.463 1.00 0.00 O ATOM 505 CG2 THR A 32 7.726 -0.058 0.025 1.00 0.00 C ATOM 0 H THR A 32 6.910 1.523 2.468 1.00 0.00 H new ATOM 0 HA THR A 32 7.209 -1.323 2.287 1.00 0.00 H new ATOM 0 HB THR A 32 9.412 -0.639 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.395 1.483 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.327 0.253 -0.830 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.396 -1.087 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.856 0.593 0.114 1.00 0.00 H new ATOM 513 N ASP A 33 8.428 -1.781 4.395 1.00 0.00 N ATOM 514 CA ASP A 33 9.259 -2.218 5.522 1.00 0.00 C ATOM 515 C ASP A 33 9.197 -1.222 6.678 1.00 0.00 C ATOM 516 O ASP A 33 9.838 -0.172 6.652 1.00 0.00 O ATOM 517 CB ASP A 33 10.708 -2.431 5.077 1.00 0.00 C ATOM 518 CG ASP A 33 11.616 -2.846 6.215 1.00 0.00 C ATOM 519 OD1 ASP A 33 11.461 -3.976 6.728 1.00 0.00 O ATOM 520 OD2 ASP A 33 12.505 -2.051 6.590 1.00 0.00 O ATOM 0 H ASP A 33 7.646 -2.405 4.194 1.00 0.00 H new ATOM 0 HA ASP A 33 8.861 -3.169 5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.736 -3.194 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.086 -1.510 4.634 1.00 0.00 H new ATOM 525 N THR A 34 8.418 -1.552 7.696 1.00 0.00 N ATOM 526 CA THR A 34 8.186 -0.624 8.793 1.00 0.00 C ATOM 527 C THR A 34 8.435 -1.271 10.154 1.00 0.00 C ATOM 528 O THR A 34 8.422 -0.587 11.179 1.00 0.00 O ATOM 529 CB THR A 34 6.744 -0.100 8.751 1.00 0.00 C ATOM 530 OG1 THR A 34 6.258 -0.142 7.403 1.00 0.00 O ATOM 531 CG2 THR A 34 6.674 1.326 9.268 1.00 0.00 C ATOM 0 H THR A 34 7.939 -2.448 7.786 1.00 0.00 H new ATOM 0 HA THR A 34 8.891 0.198 8.667 1.00 0.00 H new ATOM 0 HB THR A 34 6.127 -0.733 9.388 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.999 -1.060 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.643 1.677 9.229 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.029 1.357 10.298 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.300 1.969 8.649 1.00 0.00 H new ATOM 539 N LYS A 35 8.670 -2.584 10.157 1.00 0.00 N ATOM 540 CA LYS A 35 8.807 -3.349 11.398 1.00 0.00 C ATOM 541 C LYS A 35 7.559 -3.166 12.259 1.00 0.00 C ATOM 542 O LYS A 35 7.645 -3.062 13.486 1.00 0.00 O ATOM 543 CB LYS A 35 10.065 -2.920 12.168 1.00 0.00 C ATOM 544 CG LYS A 35 11.346 -3.023 11.352 1.00 0.00 C ATOM 545 CD LYS A 35 12.572 -2.658 12.177 1.00 0.00 C ATOM 546 CE LYS A 35 13.841 -2.700 11.337 1.00 0.00 C ATOM 547 NZ LYS A 35 13.874 -1.614 10.319 1.00 0.00 N ATOM 0 H LYS A 35 8.770 -3.142 9.309 1.00 0.00 H new ATOM 0 HA LYS A 35 8.912 -4.405 11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.941 -1.891 12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.162 -3.538 13.061 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.454 -4.038 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.280 -2.363 10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.445 -1.660 12.597 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.666 -3.348 13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.710 -2.612 11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.913 -3.666 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.819 -1.572 9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.164 -1.806 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.662 -0.704 10.775 1.00 0.00 H new ATOM 561 N ALA A 36 6.403 -3.164 11.585 1.00 0.00 N ATOM 562 CA ALA A 36 5.110 -2.857 12.201 1.00 0.00 C ATOM 563 C ALA A 36 5.074 -1.405 12.674 1.00 0.00 C ATOM 564 O ALA A 36 5.652 -1.064 13.705 1.00 0.00 O ATOM 565 CB ALA A 36 4.789 -3.813 13.343 1.00 0.00 C ATOM 0 H ALA A 36 6.340 -3.377 10.590 1.00 0.00 H new ATOM 0 HA ALA A 36 4.339 -2.992 11.442 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.822 -3.553 13.774 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.754 -4.834 12.964 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.561 -3.737 14.109 1.00 0.00 H new ATOM 571 N PRO A 37 4.391 -0.533 11.907 1.00 0.00 N ATOM 572 CA PRO A 37 4.356 0.914 12.169 1.00 0.00 C ATOM 573 C PRO A 37 3.989 1.246 13.612 1.00 0.00 C ATOM 574 O PRO A 37 4.796 1.803 14.358 1.00 0.00 O ATOM 575 CB PRO A 37 3.272 1.423 11.215 1.00 0.00 C ATOM 576 CG PRO A 37 3.237 0.427 10.109 1.00 0.00 C ATOM 577 CD PRO A 37 3.585 -0.898 10.727 1.00 0.00 C ATOM 0 HA PRO A 37 5.333 1.372 12.016 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.306 1.492 11.715 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.510 2.419 10.842 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.251 0.394 9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.948 0.690 9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.692 -1.455 11.009 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.148 -1.526 10.037 1.00 0.00 H new ATOM 585 N GLY A 38 2.782 0.879 14.001 1.00 0.00 N ATOM 586 CA GLY A 38 2.324 1.152 15.342 1.00 0.00 C ATOM 587 C GLY A 38 0.823 1.041 15.454 1.00 0.00 C ATOM 588 O GLY A 38 0.103 1.328 14.498 1.00 0.00 O ATOM 0 H GLY A 38 2.108 0.394 13.408 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.793 0.454 16.036 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.638 2.153 15.637 1.00 0.00 H new ATOM 592 N LYS A 39 0.350 0.636 16.623 1.00 0.00 N ATOM 593 CA LYS A 39 -1.075 0.443 16.857 1.00 0.00 C ATOM 594 C LYS A 39 -1.830 1.756 16.667 1.00 0.00 C ATOM 595 O LYS A 39 -2.937 1.781 16.123 1.00 0.00 O ATOM 596 CB LYS A 39 -1.286 -0.131 18.267 1.00 0.00 C ATOM 597 CG LYS A 39 -2.738 -0.357 18.666 1.00 0.00 C ATOM 598 CD LYS A 39 -3.332 0.864 19.355 1.00 0.00 C ATOM 599 CE LYS A 39 -4.722 0.577 19.897 1.00 0.00 C ATOM 600 NZ LYS A 39 -5.288 1.744 20.620 1.00 0.00 N ATOM 0 H LYS A 39 0.938 0.433 17.432 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.472 -0.267 16.132 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.755 -1.080 18.338 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.829 0.545 18.989 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.326 -0.596 17.779 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.802 -1.217 19.332 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.680 1.176 20.171 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.380 1.694 18.650 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.383 0.305 19.074 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.679 -0.280 20.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.237 1.506 20.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.671 1.989 21.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.353 2.555 19.973 1.00 0.00 H new ATOM 614 N GLU A 40 -1.211 2.845 17.095 1.00 0.00 N ATOM 615 CA GLU A 40 -1.810 4.163 16.967 1.00 0.00 C ATOM 616 C GLU A 40 -1.651 4.686 15.543 1.00 0.00 C ATOM 617 O GLU A 40 -2.464 5.475 15.064 1.00 0.00 O ATOM 618 CB GLU A 40 -1.163 5.125 17.958 1.00 0.00 C ATOM 619 CG GLU A 40 -1.256 4.655 19.400 1.00 0.00 C ATOM 620 CD GLU A 40 -0.582 5.603 20.363 1.00 0.00 C ATOM 621 OE1 GLU A 40 -1.204 6.622 20.728 1.00 0.00 O ATOM 622 OE2 GLU A 40 0.570 5.335 20.763 1.00 0.00 O ATOM 0 H GLU A 40 -0.291 2.841 17.535 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.875 4.087 17.189 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.114 5.257 17.693 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.640 6.101 17.870 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.305 4.547 19.676 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.800 3.669 19.487 1.00 0.00 H new ATOM 629 N ASP A 41 -0.613 4.214 14.864 1.00 0.00 N ATOM 630 CA ASP A 41 -0.330 4.622 13.494 1.00 0.00 C ATOM 631 C ASP A 41 -1.430 4.154 12.554 1.00 0.00 C ATOM 632 O ASP A 41 -1.747 4.820 11.574 1.00 0.00 O ATOM 633 CB ASP A 41 1.023 4.072 13.040 1.00 0.00 C ATOM 634 CG ASP A 41 2.171 4.626 13.856 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.265 4.299 15.059 1.00 0.00 O ATOM 636 OD2 ASP A 41 2.973 5.403 13.309 1.00 0.00 O ATOM 0 H ASP A 41 0.053 3.542 15.245 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.292 5.711 13.465 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.016 2.985 13.119 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.177 4.315 11.989 1.00 0.00 H new ATOM 641 N TYR A 42 -2.029 3.010 12.869 1.00 0.00 N ATOM 642 CA TYR A 42 -3.154 2.505 12.086 1.00 0.00 C ATOM 643 C TYR A 42 -4.389 3.379 12.293 1.00 0.00 C ATOM 644 O TYR A 42 -5.358 3.294 11.538 1.00 0.00 O ATOM 645 CB TYR A 42 -3.470 1.052 12.455 1.00 0.00 C ATOM 646 CG TYR A 42 -2.319 0.101 12.219 1.00 0.00 C ATOM 647 CD1 TYR A 42 -1.789 -0.077 10.948 1.00 0.00 C ATOM 648 CD2 TYR A 42 -1.758 -0.613 13.268 1.00 0.00 C ATOM 649 CE1 TYR A 42 -0.730 -0.935 10.729 1.00 0.00 C ATOM 650 CE2 TYR A 42 -0.698 -1.476 13.059 1.00 0.00 C ATOM 651 CZ TYR A 42 -0.188 -1.634 11.788 1.00 0.00 C ATOM 652 OH TYR A 42 0.874 -2.482 11.577 1.00 0.00 O ATOM 0 H TYR A 42 -1.758 2.418 13.654 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.872 2.540 11.034 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.757 1.007 13.506 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.330 0.718 11.875 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.213 0.466 10.116 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.156 -0.493 14.265 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.328 -1.058 9.734 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.272 -2.023 13.887 1.00 0.00 H new ATOM 0 HH TYR A 42 1.136 -2.895 12.426 1.00 0.00 H new ATOM 662 N ASN A 43 -4.343 4.221 13.318 1.00 0.00 N ATOM 663 CA ASN A 43 -5.440 5.133 13.621 1.00 0.00 C ATOM 664 C ASN A 43 -5.141 6.531 13.091 1.00 0.00 C ATOM 665 O ASN A 43 -6.045 7.359 12.953 1.00 0.00 O ATOM 666 CB ASN A 43 -5.692 5.202 15.131 1.00 0.00 C ATOM 667 CG ASN A 43 -6.409 3.978 15.671 1.00 0.00 C ATOM 668 OD1 ASN A 43 -7.639 3.941 15.723 1.00 0.00 O ATOM 669 ND2 ASN A 43 -5.654 2.976 16.089 1.00 0.00 N ATOM 0 H ASN A 43 -3.552 4.291 13.958 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.334 4.749 13.130 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.739 5.315 15.648 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.283 6.090 15.355 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.088 2.135 16.471 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.638 3.044 16.030 1.00 0.00 H new ATOM 676 N LEU A 44 -3.870 6.793 12.807 1.00 0.00 N ATOM 677 CA LEU A 44 -3.447 8.091 12.294 1.00 0.00 C ATOM 678 C LEU A 44 -4.076 8.372 10.933 1.00 0.00 C ATOM 679 O LEU A 44 -4.363 7.453 10.164 1.00 0.00 O ATOM 680 CB LEU A 44 -1.919 8.167 12.186 1.00 0.00 C ATOM 681 CG LEU A 44 -1.160 8.043 13.510 1.00 0.00 C ATOM 682 CD1 LEU A 44 0.338 8.150 13.273 1.00 0.00 C ATOM 683 CD2 LEU A 44 -1.620 9.104 14.498 1.00 0.00 C ATOM 0 H LEU A 44 -3.112 6.121 12.924 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.787 8.849 13.000 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.579 7.377 11.517 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.651 9.116 11.721 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.376 7.064 13.938 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.864 8.060 14.223 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.658 7.351 12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.567 9.115 12.822 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.067 8.996 15.431 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.437 10.094 14.080 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.686 8.983 14.692 1.00 0.00 H new ATOM 695 N SER A 45 -4.297 9.645 10.652 1.00 0.00 N ATOM 696 CA SER A 45 -4.904 10.064 9.402 1.00 0.00 C ATOM 697 C SER A 45 -3.897 9.987 8.255 1.00 0.00 C ATOM 698 O SER A 45 -2.702 9.778 8.480 1.00 0.00 O ATOM 699 CB SER A 45 -5.441 11.489 9.544 1.00 0.00 C ATOM 700 OG SER A 45 -6.317 11.590 10.655 1.00 0.00 O ATOM 0 H SER A 45 -4.062 10.413 11.281 1.00 0.00 H new ATOM 0 HA SER A 45 -5.729 9.390 9.171 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.611 12.185 9.666 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.967 11.776 8.634 1.00 0.00 H new ATOM 0 HG SER A 45 -6.647 12.510 10.728 1.00 0.00 H new ATOM 706 N GLU A 46 -4.389 10.174 7.034 1.00 0.00 N ATOM 707 CA GLU A 46 -3.566 10.065 5.834 1.00 0.00 C ATOM 708 C GLU A 46 -2.366 11.006 5.896 1.00 0.00 C ATOM 709 O GLU A 46 -1.223 10.571 5.773 1.00 0.00 O ATOM 710 CB GLU A 46 -4.413 10.372 4.597 1.00 0.00 C ATOM 711 CG GLU A 46 -3.648 10.294 3.288 1.00 0.00 C ATOM 712 CD GLU A 46 -4.511 10.640 2.094 1.00 0.00 C ATOM 713 OE1 GLU A 46 -4.627 11.840 1.761 1.00 0.00 O ATOM 714 OE2 GLU A 46 -5.091 9.720 1.485 1.00 0.00 O ATOM 0 H GLU A 46 -5.365 10.404 6.849 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.187 9.045 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.249 9.673 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.837 11.371 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.797 10.974 3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.247 9.288 3.164 1.00 0.00 H new ATOM 721 N GLY A 47 -2.635 12.289 6.116 1.00 0.00 N ATOM 722 CA GLY A 47 -1.575 13.283 6.155 1.00 0.00 C ATOM 723 C GLY A 47 -0.542 12.987 7.225 1.00 0.00 C ATOM 724 O GLY A 47 0.656 13.185 7.017 1.00 0.00 O ATOM 0 H GLY A 47 -3.573 12.660 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.085 13.325 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.009 14.266 6.336 1.00 0.00 H new ATOM 728 N GLN A 48 -1.007 12.487 8.362 1.00 0.00 N ATOM 729 CA GLN A 48 -0.127 12.157 9.474 1.00 0.00 C ATOM 730 C GLN A 48 0.811 11.014 9.091 1.00 0.00 C ATOM 731 O GLN A 48 2.010 11.059 9.366 1.00 0.00 O ATOM 732 CB GLN A 48 -0.955 11.788 10.708 1.00 0.00 C ATOM 733 CG GLN A 48 -1.844 12.925 11.195 1.00 0.00 C ATOM 734 CD GLN A 48 -2.773 12.516 12.324 1.00 0.00 C ATOM 735 OE1 GLN A 48 -3.191 11.363 12.416 1.00 0.00 O ATOM 736 NE2 GLN A 48 -3.110 13.462 13.185 1.00 0.00 N ATOM 0 H GLN A 48 -1.994 12.300 8.538 1.00 0.00 H new ATOM 0 HA GLN A 48 0.481 13.030 9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.577 10.923 10.475 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.283 11.490 11.513 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.216 13.750 11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.439 13.296 10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.742 14.407 13.074 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.738 13.247 13.959 1.00 0.00 H new ATOM 745 N LEU A 49 0.260 10.003 8.431 1.00 0.00 N ATOM 746 CA LEU A 49 1.051 8.873 7.959 1.00 0.00 C ATOM 747 C LEU A 49 1.998 9.299 6.842 1.00 0.00 C ATOM 748 O LEU A 49 3.155 8.875 6.799 1.00 0.00 O ATOM 749 CB LEU A 49 0.136 7.751 7.462 1.00 0.00 C ATOM 750 CG LEU A 49 -0.659 7.030 8.551 1.00 0.00 C ATOM 751 CD1 LEU A 49 -1.641 6.048 7.932 1.00 0.00 C ATOM 752 CD2 LEU A 49 0.288 6.312 9.500 1.00 0.00 C ATOM 0 H LEU A 49 -0.734 9.942 8.210 1.00 0.00 H new ATOM 0 HA LEU A 49 1.644 8.506 8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.565 8.169 6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.743 7.017 6.931 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.227 7.769 9.117 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.198 5.544 8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.334 6.586 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.096 5.309 7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.288 5.802 10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.876 5.582 8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.956 7.037 9.965 1.00 0.00 H new ATOM 764 N MET A 50 1.504 10.157 5.956 1.00 0.00 N ATOM 765 CA MET A 50 2.274 10.604 4.798 1.00 0.00 C ATOM 766 C MET A 50 3.477 11.444 5.203 1.00 0.00 C ATOM 767 O MET A 50 4.435 11.558 4.446 1.00 0.00 O ATOM 768 CB MET A 50 1.393 11.403 3.833 1.00 0.00 C ATOM 769 CG MET A 50 0.344 10.564 3.122 1.00 0.00 C ATOM 770 SD MET A 50 -0.616 11.515 1.928 1.00 0.00 S ATOM 771 CE MET A 50 0.678 12.061 0.817 1.00 0.00 C ATOM 0 H MET A 50 0.569 10.559 6.017 1.00 0.00 H new ATOM 0 HA MET A 50 2.639 9.707 4.297 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.894 12.199 4.386 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.028 11.882 3.088 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.833 9.735 2.611 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.330 10.130 3.861 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.305 12.056 -0.207 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.986 13.071 1.086 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.532 11.389 0.895 1.00 0.00 H new ATOM 781 N ASN A 51 3.428 12.045 6.383 1.00 0.00 N ATOM 782 CA ASN A 51 4.548 12.850 6.856 1.00 0.00 C ATOM 783 C ASN A 51 5.507 12.011 7.699 1.00 0.00 C ATOM 784 O ASN A 51 6.719 12.220 7.668 1.00 0.00 O ATOM 785 CB ASN A 51 4.054 14.052 7.667 1.00 0.00 C ATOM 786 CG ASN A 51 5.175 15.024 8.002 1.00 0.00 C ATOM 787 OD1 ASN A 51 6.130 15.187 7.235 1.00 0.00 O ATOM 788 ND2 ASN A 51 5.072 15.672 9.152 1.00 0.00 N ATOM 0 H ASN A 51 2.636 11.993 7.024 1.00 0.00 H new ATOM 0 HA ASN A 51 5.084 13.216 5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.280 14.574 7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.594 13.700 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.797 16.333 9.432 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.268 15.510 9.758 1.00 0.00 H new ATOM 795 N LYS A 52 4.963 11.054 8.441 1.00 0.00 N ATOM 796 CA LYS A 52 5.772 10.230 9.333 1.00 0.00 C ATOM 797 C LYS A 52 6.550 9.172 8.549 1.00 0.00 C ATOM 798 O LYS A 52 7.738 8.949 8.793 1.00 0.00 O ATOM 799 CB LYS A 52 4.881 9.567 10.388 1.00 0.00 C ATOM 800 CG LYS A 52 5.652 8.845 11.482 1.00 0.00 C ATOM 801 CD LYS A 52 4.714 8.274 12.532 1.00 0.00 C ATOM 802 CE LYS A 52 5.476 7.557 13.635 1.00 0.00 C ATOM 803 NZ LYS A 52 4.558 6.967 14.644 1.00 0.00 N ATOM 0 H LYS A 52 3.968 10.829 8.444 1.00 0.00 H new ATOM 0 HA LYS A 52 6.494 10.875 9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.248 10.328 10.845 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.218 8.856 9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.243 8.041 11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.352 9.535 11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.119 9.078 12.964 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.018 7.580 12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.092 6.770 13.199 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.153 8.258 14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.113 6.576 15.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.918 7.704 15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.999 6.208 14.204 1.00 0.00 H new ATOM 817 N PHE A 53 5.877 8.531 7.603 1.00 0.00 N ATOM 818 CA PHE A 53 6.497 7.508 6.766 1.00 0.00 C ATOM 819 C PHE A 53 6.636 8.042 5.347 1.00 0.00 C ATOM 820 O PHE A 53 6.472 7.322 4.363 1.00 0.00 O ATOM 821 CB PHE A 53 5.652 6.234 6.792 1.00 0.00 C ATOM 822 CG PHE A 53 5.400 5.727 8.186 1.00 0.00 C ATOM 823 CD1 PHE A 53 6.404 5.090 8.898 1.00 0.00 C ATOM 824 CD2 PHE A 53 4.163 5.900 8.789 1.00 0.00 C ATOM 825 CE1 PHE A 53 6.178 4.632 10.183 1.00 0.00 C ATOM 826 CE2 PHE A 53 3.933 5.445 10.073 1.00 0.00 C ATOM 827 CZ PHE A 53 4.941 4.809 10.770 1.00 0.00 C ATOM 0 H PHE A 53 4.893 8.702 7.394 1.00 0.00 H new ATOM 0 HA PHE A 53 7.488 7.264 7.148 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.697 6.427 6.303 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.155 5.459 6.214 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.374 4.950 8.444 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.370 6.396 8.249 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.968 4.136 10.727 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.965 5.587 10.531 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.762 4.451 11.773 1.00 0.00 H new ATOM 837 N LYS A 54 6.997 9.313 5.291 1.00 0.00 N ATOM 838 CA LYS A 54 7.011 10.109 4.070 1.00 0.00 C ATOM 839 C LYS A 54 7.820 9.481 2.936 1.00 0.00 C ATOM 840 O LYS A 54 7.353 9.397 1.799 1.00 0.00 O ATOM 841 CB LYS A 54 7.562 11.487 4.424 1.00 0.00 C ATOM 842 CG LYS A 54 7.655 12.455 3.266 1.00 0.00 C ATOM 843 CD LYS A 54 7.606 13.885 3.768 1.00 0.00 C ATOM 844 CE LYS A 54 8.668 14.156 4.820 1.00 0.00 C ATOM 845 NZ LYS A 54 8.423 15.439 5.533 1.00 0.00 N ATOM 0 H LYS A 54 7.297 9.836 6.114 1.00 0.00 H new ATOM 0 HA LYS A 54 5.991 10.171 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.930 11.927 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.555 11.365 4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.581 12.287 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.835 12.279 2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.743 14.568 2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.621 14.089 4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.684 13.337 5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.650 14.184 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.250 15.674 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.264 16.197 4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.584 15.344 6.140 1.00 0.00 H new ATOM 859 N ASN A 55 9.027 9.056 3.240 1.00 0.00 N ATOM 860 CA ASN A 55 9.924 8.530 2.210 1.00 0.00 C ATOM 861 C ASN A 55 9.712 7.035 1.954 1.00 0.00 C ATOM 862 O ASN A 55 10.387 6.452 1.107 1.00 0.00 O ATOM 863 CB ASN A 55 11.395 8.779 2.574 1.00 0.00 C ATOM 864 CG ASN A 55 11.748 10.254 2.697 1.00 0.00 C ATOM 865 OD1 ASN A 55 10.963 11.063 3.195 1.00 0.00 O ATOM 866 ND2 ASN A 55 12.928 10.618 2.221 1.00 0.00 N ATOM 0 H ASN A 55 9.417 9.060 4.183 1.00 0.00 H new ATOM 0 HA ASN A 55 9.679 9.068 1.294 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.617 8.280 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.031 8.323 1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.214 11.596 2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.552 9.920 1.816 1.00 0.00 H new ATOM 873 N ASN A 56 8.768 6.416 2.661 1.00 0.00 N ATOM 874 CA ASN A 56 8.557 4.969 2.535 1.00 0.00 C ATOM 875 C ASN A 56 7.113 4.639 2.176 1.00 0.00 C ATOM 876 O ASN A 56 6.676 3.497 2.333 1.00 0.00 O ATOM 877 CB ASN A 56 8.933 4.242 3.834 1.00 0.00 C ATOM 878 CG ASN A 56 10.428 4.190 4.079 1.00 0.00 C ATOM 879 OD1 ASN A 56 11.226 4.182 3.146 1.00 0.00 O ATOM 880 ND2 ASN A 56 10.819 4.144 5.344 1.00 0.00 N ATOM 0 H ASN A 56 8.144 6.883 3.319 1.00 0.00 H new ATOM 0 HA ASN A 56 9.205 4.626 1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.451 4.741 4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.542 3.225 3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.813 4.100 5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.126 4.152 6.093 1.00 0.00 H new ATOM 887 N ILE A 57 6.380 5.623 1.679 1.00 0.00 N ATOM 888 CA ILE A 57 4.967 5.432 1.378 1.00 0.00 C ATOM 889 C ILE A 57 4.724 5.265 -0.129 1.00 0.00 C ATOM 890 O ILE A 57 5.122 6.108 -0.938 1.00 0.00 O ATOM 891 CB ILE A 57 4.117 6.599 1.941 1.00 0.00 C ATOM 892 CG1 ILE A 57 2.636 6.407 1.612 1.00 0.00 C ATOM 893 CG2 ILE A 57 4.610 7.939 1.415 1.00 0.00 C ATOM 894 CD1 ILE A 57 1.738 7.449 2.245 1.00 0.00 C ATOM 0 H ILE A 57 6.736 6.557 1.476 1.00 0.00 H new ATOM 0 HA ILE A 57 4.654 4.510 1.868 1.00 0.00 H new ATOM 0 HB ILE A 57 4.230 6.597 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.505 6.435 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.323 5.418 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.995 8.740 1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.648 8.088 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.541 7.951 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.702 7.252 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.840 7.407 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.025 8.440 1.892 1.00 0.00 H new ATOM 906 N VAL A 58 4.086 4.155 -0.494 1.00 0.00 N ATOM 907 CA VAL A 58 3.742 3.874 -1.884 1.00 0.00 C ATOM 908 C VAL A 58 2.242 3.622 -2.018 1.00 0.00 C ATOM 909 O VAL A 58 1.640 2.941 -1.184 1.00 0.00 O ATOM 910 CB VAL A 58 4.519 2.649 -2.435 1.00 0.00 C ATOM 911 CG1 VAL A 58 4.005 2.246 -3.810 1.00 0.00 C ATOM 912 CG2 VAL A 58 6.008 2.944 -2.507 1.00 0.00 C ATOM 0 H VAL A 58 3.795 3.430 0.162 1.00 0.00 H new ATOM 0 HA VAL A 58 4.024 4.749 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 58 4.356 1.819 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.568 1.385 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.949 1.986 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.130 3.078 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.533 2.072 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.179 3.795 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.381 3.178 -1.510 1.00 0.00 H new ATOM 922 N ILE A 59 1.643 4.182 -3.061 1.00 0.00 N ATOM 923 CA ILE A 59 0.214 4.027 -3.302 1.00 0.00 C ATOM 924 C ILE A 59 -0.023 3.031 -4.433 1.00 0.00 C ATOM 925 O ILE A 59 0.117 3.376 -5.606 1.00 0.00 O ATOM 926 CB ILE A 59 -0.445 5.371 -3.691 1.00 0.00 C ATOM 927 CG1 ILE A 59 0.070 6.518 -2.810 1.00 0.00 C ATOM 928 CG2 ILE A 59 -1.961 5.265 -3.596 1.00 0.00 C ATOM 929 CD1 ILE A 59 -0.208 6.339 -1.334 1.00 0.00 C ATOM 0 H ILE A 59 2.127 4.750 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.233 3.666 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.173 5.594 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.145 6.619 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.386 7.450 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.410 6.219 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.314 4.487 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.245 5.013 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.188 7.192 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.284 6.270 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.271 5.426 -0.982 1.00 0.00 H new ATOM 941 N VAL A 60 -0.372 1.799 -4.099 1.00 0.00 N ATOM 942 CA VAL A 60 -0.601 0.793 -5.127 1.00 0.00 C ATOM 943 C VAL A 60 -2.054 0.804 -5.590 1.00 0.00 C ATOM 944 O VAL A 60 -2.980 0.977 -4.791 1.00 0.00 O ATOM 945 CB VAL A 60 -0.205 -0.629 -4.671 1.00 0.00 C ATOM 946 CG1 VAL A 60 1.284 -0.698 -4.374 1.00 0.00 C ATOM 947 CG2 VAL A 60 -1.014 -1.066 -3.461 1.00 0.00 C ATOM 0 H VAL A 60 -0.502 1.474 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 60 0.045 1.060 -5.963 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.429 -1.317 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.545 -1.707 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.846 -0.445 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.530 0.009 -3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.712 -2.070 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.837 -0.376 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.074 -1.066 -3.713 1.00 0.00 H new ATOM 957 N GLY A 61 -2.237 0.643 -6.892 1.00 0.00 N ATOM 958 CA GLY A 61 -3.561 0.645 -7.470 1.00 0.00 C ATOM 959 C GLY A 61 -4.118 -0.752 -7.610 1.00 0.00 C ATOM 960 O GLY A 61 -3.564 -1.582 -8.342 1.00 0.00 O ATOM 0 H GLY A 61 -1.481 0.510 -7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.228 1.241 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.529 1.122 -8.449 1.00 0.00 H new ATOM 964 N LEU A 62 -5.213 -1.004 -6.905 1.00 0.00 N ATOM 965 CA LEU A 62 -5.858 -2.310 -6.896 1.00 0.00 C ATOM 966 C LEU A 62 -6.996 -2.352 -7.909 1.00 0.00 C ATOM 967 O LEU A 62 -7.785 -3.294 -7.930 1.00 0.00 O ATOM 968 CB LEU A 62 -6.420 -2.602 -5.502 1.00 0.00 C ATOM 969 CG LEU A 62 -5.430 -2.458 -4.344 1.00 0.00 C ATOM 970 CD1 LEU A 62 -6.143 -2.632 -3.013 1.00 0.00 C ATOM 971 CD2 LEU A 62 -4.300 -3.462 -4.474 1.00 0.00 C ATOM 0 H LEU A 62 -5.679 -0.308 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.115 -3.062 -7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.261 -1.933 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.814 -3.618 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.003 -1.456 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.425 -2.527 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.918 -1.872 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.597 -3.622 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.608 -3.341 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.708 -4.473 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.770 -3.294 -5.412 1.00 0.00 H new ATOM 983 N SER A 63 -7.064 -1.334 -8.758 1.00 0.00 N ATOM 984 CA SER A 63 -8.169 -1.173 -9.699 1.00 0.00 C ATOM 985 C SER A 63 -8.240 -2.306 -10.727 1.00 0.00 C ATOM 986 O SER A 63 -9.256 -2.466 -11.406 1.00 0.00 O ATOM 987 CB SER A 63 -8.046 0.175 -10.408 1.00 0.00 C ATOM 988 OG SER A 63 -8.080 1.239 -9.472 1.00 0.00 O ATOM 0 H SER A 63 -6.359 -0.599 -8.815 1.00 0.00 H new ATOM 0 HA SER A 63 -9.095 -1.211 -9.125 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.114 0.211 -10.973 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.858 0.289 -11.126 1.00 0.00 H new ATOM 0 HG SER A 63 -9.003 1.550 -9.363 1.00 0.00 H new ATOM 994 N GLU A 64 -7.175 -3.092 -10.847 1.00 0.00 N ATOM 995 CA GLU A 64 -7.177 -4.212 -11.779 1.00 0.00 C ATOM 996 C GLU A 64 -7.533 -5.511 -11.052 1.00 0.00 C ATOM 997 O GLU A 64 -7.664 -6.569 -11.665 1.00 0.00 O ATOM 998 CB GLU A 64 -5.821 -4.333 -12.483 1.00 0.00 C ATOM 999 CG GLU A 64 -5.853 -5.249 -13.696 1.00 0.00 C ATOM 1000 CD GLU A 64 -4.595 -5.168 -14.531 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -4.281 -4.067 -15.032 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -3.936 -6.206 -14.727 1.00 0.00 O ATOM 0 H GLU A 64 -6.311 -2.976 -10.318 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.936 -4.027 -12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.491 -3.342 -12.794 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.083 -4.707 -11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.997 -6.277 -13.364 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.711 -4.991 -14.316 1.00 0.00 H new ATOM 1009 N ILE A 65 -7.704 -5.423 -9.740 1.00 0.00 N ATOM 1010 CA ILE A 65 -8.096 -6.576 -8.946 1.00 0.00 C ATOM 1011 C ILE A 65 -9.496 -6.355 -8.387 1.00 0.00 C ATOM 1012 O ILE A 65 -9.702 -5.533 -7.494 1.00 0.00 O ATOM 1013 CB ILE A 65 -7.112 -6.851 -7.792 1.00 0.00 C ATOM 1014 CG1 ILE A 65 -5.670 -6.846 -8.309 1.00 0.00 C ATOM 1015 CG2 ILE A 65 -7.435 -8.191 -7.140 1.00 0.00 C ATOM 1016 CD1 ILE A 65 -4.631 -7.009 -7.219 1.00 0.00 C ATOM 0 H ILE A 65 -7.577 -4.564 -9.204 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.084 -7.448 -9.600 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.215 -6.062 -7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.551 -7.650 -9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.486 -5.910 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.735 -8.378 -6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.451 -8.169 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.350 -8.986 -7.881 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.635 -6.996 -7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.722 -6.191 -6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.788 -7.958 -6.706 1.00 0.00 H new ATOM 1028 N ASP A 66 -10.445 -7.113 -8.907 1.00 0.00 N ATOM 1029 CA ASP A 66 -11.866 -6.870 -8.660 1.00 0.00 C ATOM 1030 C ASP A 66 -12.337 -7.522 -7.355 1.00 0.00 C ATOM 1031 O ASP A 66 -13.531 -7.582 -7.073 1.00 0.00 O ATOM 1032 CB ASP A 66 -12.668 -7.401 -9.857 1.00 0.00 C ATOM 1033 CG ASP A 66 -14.133 -7.009 -9.836 1.00 0.00 C ATOM 1034 OD1 ASP A 66 -14.431 -5.795 -9.871 1.00 0.00 O ATOM 1035 OD2 ASP A 66 -14.993 -7.915 -9.834 1.00 0.00 O ATOM 0 H ASP A 66 -10.259 -7.913 -9.511 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.028 -5.798 -8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.216 -7.032 -10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.593 -8.488 -9.879 1.00 0.00 H new ATOM 1040 N ASN A 67 -11.395 -7.987 -6.545 1.00 0.00 N ATOM 1041 CA ASN A 67 -11.741 -8.682 -5.306 1.00 0.00 C ATOM 1042 C ASN A 67 -10.859 -8.233 -4.138 1.00 0.00 C ATOM 1043 O ASN A 67 -10.717 -8.948 -3.146 1.00 0.00 O ATOM 1044 CB ASN A 67 -11.614 -10.198 -5.505 1.00 0.00 C ATOM 1045 CG ASN A 67 -10.195 -10.634 -5.817 1.00 0.00 C ATOM 1046 OD1 ASN A 67 -9.784 -10.676 -6.978 1.00 0.00 O ATOM 1047 ND2 ASN A 67 -9.438 -10.964 -4.784 1.00 0.00 N ATOM 0 H ASN A 67 -10.394 -7.898 -6.718 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.772 -8.429 -5.059 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.956 -10.708 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.272 -10.509 -6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.476 -11.267 -4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.817 -10.915 -3.838 1.00 0.00 H new ATOM 1054 N THR A 68 -10.305 -7.032 -4.228 1.00 0.00 N ATOM 1055 CA THR A 68 -9.393 -6.531 -3.199 1.00 0.00 C ATOM 1056 C THR A 68 -10.135 -5.981 -1.977 1.00 0.00 C ATOM 1057 O THR A 68 -9.707 -5.005 -1.358 1.00 0.00 O ATOM 1058 CB THR A 68 -8.476 -5.439 -3.770 1.00 0.00 C ATOM 1059 OG1 THR A 68 -9.206 -4.626 -4.701 1.00 0.00 O ATOM 1060 CG2 THR A 68 -7.267 -6.057 -4.447 1.00 0.00 C ATOM 0 H THR A 68 -10.468 -6.385 -4.999 1.00 0.00 H new ATOM 0 HA THR A 68 -8.795 -7.383 -2.875 1.00 0.00 H new ATOM 0 HB THR A 68 -8.126 -4.813 -2.950 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.183 -5.043 -5.588 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.630 -5.267 -4.845 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.705 -6.646 -3.722 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.596 -6.702 -5.261 1.00 0.00 H new ATOM 1068 N ASP A 69 -11.223 -6.637 -1.608 1.00 0.00 N ATOM 1069 CA ASP A 69 -12.022 -6.218 -0.462 1.00 0.00 C ATOM 1070 C ASP A 69 -11.492 -6.851 0.824 1.00 0.00 C ATOM 1071 O ASP A 69 -11.713 -6.340 1.920 1.00 0.00 O ATOM 1072 CB ASP A 69 -13.488 -6.606 -0.681 1.00 0.00 C ATOM 1073 CG ASP A 69 -14.373 -6.277 0.505 1.00 0.00 C ATOM 1074 OD1 ASP A 69 -14.815 -5.115 0.622 1.00 0.00 O ATOM 1075 OD2 ASP A 69 -14.643 -7.187 1.319 1.00 0.00 O ATOM 0 H ASP A 69 -11.576 -7.466 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.951 -5.135 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.866 -6.090 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.548 -7.675 -0.886 1.00 0.00 H new ATOM 1080 N ASP A 70 -10.756 -7.945 0.673 1.00 0.00 N ATOM 1081 CA ASP A 70 -10.280 -8.725 1.816 1.00 0.00 C ATOM 1082 C ASP A 70 -9.140 -8.025 2.550 1.00 0.00 C ATOM 1083 O ASP A 70 -8.836 -8.355 3.696 1.00 0.00 O ATOM 1084 CB ASP A 70 -9.815 -10.111 1.360 1.00 0.00 C ATOM 1085 CG ASP A 70 -10.877 -10.856 0.580 1.00 0.00 C ATOM 1086 OD1 ASP A 70 -11.954 -11.141 1.148 1.00 0.00 O ATOM 1087 OD2 ASP A 70 -10.638 -11.161 -0.604 1.00 0.00 O ATOM 0 H ASP A 70 -10.473 -8.316 -0.234 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.118 -8.825 2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.923 -10.005 0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.531 -10.700 2.232 1.00 0.00 H new ATOM 1092 N LEU A 71 -8.515 -7.061 1.887 1.00 0.00 N ATOM 1093 CA LEU A 71 -7.378 -6.344 2.461 1.00 0.00 C ATOM 1094 C LEU A 71 -7.834 -5.419 3.584 1.00 0.00 C ATOM 1095 O LEU A 71 -8.687 -4.551 3.376 1.00 0.00 O ATOM 1096 CB LEU A 71 -6.638 -5.529 1.386 1.00 0.00 C ATOM 1097 CG LEU A 71 -5.876 -6.336 0.324 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -4.971 -7.364 0.978 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -6.831 -7.004 -0.654 1.00 0.00 C ATOM 0 H LEU A 71 -8.775 -6.755 0.949 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.693 -7.087 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.364 -4.895 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.931 -4.867 1.885 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.255 -5.640 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.441 -7.924 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.250 -6.858 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.571 -8.049 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.260 -7.567 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.492 -7.681 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.426 -6.243 -1.159 1.00 0.00 H new ATOM 1111 N LYS A 72 -7.269 -5.612 4.767 1.00 0.00 N ATOM 1112 CA LYS A 72 -7.624 -4.814 5.935 1.00 0.00 C ATOM 1113 C LYS A 72 -6.494 -3.855 6.287 1.00 0.00 C ATOM 1114 O LYS A 72 -5.403 -3.939 5.725 1.00 0.00 O ATOM 1115 CB LYS A 72 -7.899 -5.731 7.122 1.00 0.00 C ATOM 1116 CG LYS A 72 -8.835 -6.868 6.782 1.00 0.00 C ATOM 1117 CD LYS A 72 -8.762 -7.975 7.811 1.00 0.00 C ATOM 1118 CE LYS A 72 -9.214 -9.289 7.210 1.00 0.00 C ATOM 1119 NZ LYS A 72 -8.347 -9.696 6.068 1.00 0.00 N ATOM 0 H LYS A 72 -6.557 -6.320 4.945 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.519 -4.237 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.956 -6.140 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.327 -5.145 7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.857 -6.493 6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.583 -7.266 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.741 -8.069 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.389 -7.725 8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.197 -10.065 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.246 -9.199 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.251 -10.731 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.777 -9.379 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.408 -9.262 6.174 1.00 0.00 H new ATOM 1133 N ARG A 73 -6.754 -2.947 7.215 1.00 0.00 N ATOM 1134 CA ARG A 73 -5.724 -2.042 7.698 1.00 0.00 C ATOM 1135 C ARG A 73 -4.953 -2.703 8.831 1.00 0.00 C ATOM 1136 O ARG A 73 -5.522 -3.027 9.875 1.00 0.00 O ATOM 1137 CB ARG A 73 -6.331 -0.728 8.189 1.00 0.00 C ATOM 1138 CG ARG A 73 -7.199 -0.022 7.162 1.00 0.00 C ATOM 1139 CD ARG A 73 -7.717 1.298 7.705 1.00 0.00 C ATOM 1140 NE ARG A 73 -8.716 1.908 6.831 1.00 0.00 N ATOM 1141 CZ ARG A 73 -9.051 3.195 6.874 1.00 0.00 C ATOM 1142 NH1 ARG A 73 -8.418 4.022 7.698 1.00 0.00 N ATOM 1143 NH2 ARG A 73 -10.011 3.656 6.081 1.00 0.00 N ATOM 0 H ARG A 73 -7.668 -2.818 7.648 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.049 -1.820 6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.929 -0.927 9.079 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.525 -0.058 8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.623 0.155 6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.038 -0.661 6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.152 1.136 8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.882 1.987 7.834 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.184 1.313 6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.673 3.671 8.300 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.677 5.008 7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.491 3.024 5.440 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.269 4.642 6.113 1.00 0.00 H new ATOM 1157 N GLY A 74 -3.666 -2.904 8.623 1.00 0.00 N ATOM 1158 CA GLY A 74 -2.849 -3.568 9.612 1.00 0.00 C ATOM 1159 C GLY A 74 -2.432 -4.949 9.159 1.00 0.00 C ATOM 1160 O GLY A 74 -2.313 -5.869 9.974 1.00 0.00 O ATOM 0 H GLY A 74 -3.168 -2.617 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.962 -2.968 9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.401 -3.644 10.549 1.00 0.00 H new ATOM 1164 N GLU A 75 -2.225 -5.098 7.854 1.00 0.00 N ATOM 1165 CA GLU A 75 -1.801 -6.373 7.291 1.00 0.00 C ATOM 1166 C GLU A 75 -0.559 -6.175 6.427 1.00 0.00 C ATOM 1167 O GLU A 75 -0.038 -5.065 6.329 1.00 0.00 O ATOM 1168 CB GLU A 75 -2.933 -7.021 6.478 1.00 0.00 C ATOM 1169 CG GLU A 75 -4.228 -7.179 7.264 1.00 0.00 C ATOM 1170 CD GLU A 75 -5.144 -8.248 6.704 1.00 0.00 C ATOM 1171 OE1 GLU A 75 -5.843 -7.985 5.702 1.00 0.00 O ATOM 1172 OE2 GLU A 75 -5.178 -9.357 7.285 1.00 0.00 O ATOM 0 H GLU A 75 -2.344 -4.352 7.169 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.554 -7.048 8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.126 -6.416 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.606 -8.001 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.989 -7.422 8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.757 -6.226 7.274 1.00 0.00 H new ATOM 1179 N LYS A 76 -0.083 -7.241 5.803 1.00 0.00 N ATOM 1180 CA LYS A 76 1.147 -7.184 5.023 1.00 0.00 C ATOM 1181 C LYS A 76 0.959 -7.903 3.693 1.00 0.00 C ATOM 1182 O LYS A 76 0.396 -8.993 3.654 1.00 0.00 O ATOM 1183 CB LYS A 76 2.289 -7.831 5.815 1.00 0.00 C ATOM 1184 CG LYS A 76 3.661 -7.662 5.183 1.00 0.00 C ATOM 1185 CD LYS A 76 4.719 -8.439 5.951 1.00 0.00 C ATOM 1186 CE LYS A 76 6.119 -8.118 5.457 1.00 0.00 C ATOM 1187 NZ LYS A 76 7.152 -8.935 6.147 1.00 0.00 N ATOM 0 H LYS A 76 -0.529 -8.158 5.821 1.00 0.00 H new ATOM 0 HA LYS A 76 1.395 -6.142 4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.308 -7.404 6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.081 -8.895 5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.633 -8.005 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.927 -6.605 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.645 -8.204 7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.533 -9.508 5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.174 -8.295 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.327 -7.060 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.093 -8.686 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.117 -8.748 7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.969 -9.944 5.974 1.00 0.00 H new ATOM 1201 N ILE A 77 1.418 -7.295 2.606 1.00 0.00 N ATOM 1202 CA ILE A 77 1.288 -7.912 1.293 1.00 0.00 C ATOM 1203 C ILE A 77 2.555 -7.749 0.467 1.00 0.00 C ATOM 1204 O ILE A 77 3.321 -6.799 0.645 1.00 0.00 O ATOM 1205 CB ILE A 77 0.100 -7.343 0.482 1.00 0.00 C ATOM 1206 CG1 ILE A 77 0.204 -5.819 0.358 1.00 0.00 C ATOM 1207 CG2 ILE A 77 -1.226 -7.744 1.109 1.00 0.00 C ATOM 1208 CD1 ILE A 77 -0.872 -5.209 -0.514 1.00 0.00 C ATOM 0 H ILE A 77 1.879 -6.385 2.607 1.00 0.00 H new ATOM 0 HA ILE A 77 1.107 -8.969 1.488 1.00 0.00 H new ATOM 0 HB ILE A 77 0.142 -7.768 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.148 -5.377 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.181 -5.562 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.046 -7.332 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.305 -8.831 1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.279 -7.357 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.737 -4.128 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.803 -5.623 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.852 -5.436 -0.094 1.00 0.00 H new ATOM 1220 N LYS A 78 2.772 -8.704 -0.417 1.00 0.00 N ATOM 1221 CA LYS A 78 3.839 -8.633 -1.395 1.00 0.00 C ATOM 1222 C LYS A 78 3.219 -8.567 -2.784 1.00 0.00 C ATOM 1223 O LYS A 78 2.692 -9.559 -3.280 1.00 0.00 O ATOM 1224 CB LYS A 78 4.734 -9.870 -1.273 1.00 0.00 C ATOM 1225 CG LYS A 78 5.769 -10.011 -2.377 1.00 0.00 C ATOM 1226 CD LYS A 78 6.455 -11.364 -2.305 1.00 0.00 C ATOM 1227 CE LYS A 78 7.416 -11.567 -3.454 1.00 0.00 C ATOM 1228 NZ LYS A 78 6.686 -11.723 -4.733 1.00 0.00 N ATOM 0 H LYS A 78 2.211 -9.554 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 78 4.449 -7.746 -1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.248 -9.837 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.104 -10.759 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.289 -9.893 -3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.511 -9.217 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.994 -11.449 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.704 -12.154 -2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.095 -10.717 -3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.028 -12.450 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.337 -12.077 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.906 -12.399 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.302 -10.803 -5.028 1.00 0.00 H new ATOM 1242 N VAL A 79 3.265 -7.406 -3.408 1.00 0.00 N ATOM 1243 CA VAL A 79 2.596 -7.226 -4.685 1.00 0.00 C ATOM 1244 C VAL A 79 3.580 -7.308 -5.841 1.00 0.00 C ATOM 1245 O VAL A 79 4.775 -7.062 -5.675 1.00 0.00 O ATOM 1246 CB VAL A 79 1.829 -5.886 -4.751 1.00 0.00 C ATOM 1247 CG1 VAL A 79 0.788 -5.815 -3.647 1.00 0.00 C ATOM 1248 CG2 VAL A 79 2.778 -4.703 -4.659 1.00 0.00 C ATOM 0 H VAL A 79 3.752 -6.581 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 79 1.875 -8.039 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 79 1.323 -5.837 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.257 -4.865 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.079 -6.635 -3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.280 -5.894 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.208 -3.775 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.322 -4.745 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.486 -4.739 -5.487 1.00 0.00 H new ATOM 1258 N TRP A 80 3.071 -7.686 -7.000 1.00 0.00 N ATOM 1259 CA TRP A 80 3.860 -7.693 -8.215 1.00 0.00 C ATOM 1260 C TRP A 80 3.465 -6.514 -9.087 1.00 0.00 C ATOM 1261 O TRP A 80 2.307 -6.395 -9.502 1.00 0.00 O ATOM 1262 CB TRP A 80 3.678 -9.003 -8.983 1.00 0.00 C ATOM 1263 CG TRP A 80 4.444 -10.149 -8.404 1.00 0.00 C ATOM 1264 CD1 TRP A 80 5.802 -10.270 -8.333 1.00 0.00 C ATOM 1265 CD2 TRP A 80 3.903 -11.345 -7.838 1.00 0.00 C ATOM 1266 NE1 TRP A 80 6.136 -11.464 -7.737 1.00 0.00 N ATOM 1267 CE2 TRP A 80 4.987 -12.141 -7.434 1.00 0.00 C ATOM 1268 CE3 TRP A 80 2.607 -11.818 -7.628 1.00 0.00 C ATOM 1269 CZ2 TRP A 80 4.815 -13.383 -6.837 1.00 0.00 C ATOM 1270 CZ3 TRP A 80 2.437 -13.052 -7.035 1.00 0.00 C ATOM 1271 CH2 TRP A 80 3.537 -13.821 -6.646 1.00 0.00 C ATOM 0 H TRP A 80 2.107 -7.994 -7.124 1.00 0.00 H new ATOM 0 HA TRP A 80 4.912 -7.607 -7.944 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.619 -9.258 -9.003 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.989 -8.854 -10.017 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.509 -9.537 -8.692 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.084 -11.791 -7.552 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.752 -11.228 -7.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 5.662 -13.981 -6.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.439 -13.429 -6.869 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.372 -14.783 -6.184 1.00 0.00 H new ATOM 1282 N PHE A 81 4.423 -5.647 -9.357 1.00 0.00 N ATOM 1283 CA PHE A 81 4.153 -4.426 -10.093 1.00 0.00 C ATOM 1284 C PHE A 81 5.233 -4.168 -11.130 1.00 0.00 C ATOM 1285 O PHE A 81 6.251 -4.857 -11.172 1.00 0.00 O ATOM 1286 CB PHE A 81 4.050 -3.230 -9.131 1.00 0.00 C ATOM 1287 CG PHE A 81 5.360 -2.782 -8.526 1.00 0.00 C ATOM 1288 CD1 PHE A 81 6.176 -3.671 -7.843 1.00 0.00 C ATOM 1289 CD2 PHE A 81 5.760 -1.457 -8.623 1.00 0.00 C ATOM 1290 CE1 PHE A 81 7.364 -3.251 -7.276 1.00 0.00 C ATOM 1291 CE2 PHE A 81 6.948 -1.031 -8.057 1.00 0.00 C ATOM 1292 CZ PHE A 81 7.750 -1.930 -7.381 1.00 0.00 C ATOM 0 H PHE A 81 5.397 -5.766 -9.077 1.00 0.00 H new ATOM 0 HA PHE A 81 3.201 -4.547 -10.609 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.608 -2.390 -9.666 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.365 -3.490 -8.324 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.879 -4.705 -7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.136 -0.749 -9.147 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.991 -3.956 -6.751 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.248 0.003 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.677 -1.600 -6.936 1.00 0.00 H new ATOM 1302 N HIS A 82 4.994 -3.171 -11.963 1.00 0.00 N ATOM 1303 CA HIS A 82 5.966 -2.738 -12.953 1.00 0.00 C ATOM 1304 C HIS A 82 5.562 -1.370 -13.473 1.00 0.00 C ATOM 1305 O HIS A 82 6.409 -0.532 -13.774 1.00 0.00 O ATOM 1306 CB HIS A 82 6.071 -3.740 -14.108 1.00 0.00 C ATOM 1307 CG HIS A 82 7.263 -3.508 -14.988 1.00 0.00 C ATOM 1308 ND1 HIS A 82 8.500 -4.055 -14.729 1.00 0.00 N ATOM 1309 CD2 HIS A 82 7.408 -2.779 -16.119 1.00 0.00 C ATOM 1310 CE1 HIS A 82 9.351 -3.670 -15.659 1.00 0.00 C ATOM 1311 NE2 HIS A 82 8.716 -2.895 -16.514 1.00 0.00 N ATOM 0 H HIS A 82 4.123 -2.639 -11.973 1.00 0.00 H new ATOM 0 HA HIS A 82 6.948 -2.681 -12.483 1.00 0.00 H new ATOM 0 HB2 HIS A 82 6.120 -4.750 -13.700 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.166 -3.684 -14.712 1.00 0.00 H new ATOM 0 HD1 HIS A 82 8.723 -4.663 -13.941 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.637 -2.211 -16.618 1.00 0.00 H new ATOM 0 HE1 HIS A 82 10.394 -3.944 -15.711 1.00 0.00 H new ATOM 1320 N THR A 83 4.259 -1.159 -13.580 1.00 0.00 N ATOM 1321 CA THR A 83 3.718 0.133 -13.949 1.00 0.00 C ATOM 1322 C THR A 83 3.809 1.095 -12.765 1.00 0.00 C ATOM 1323 O THR A 83 2.913 1.144 -11.922 1.00 0.00 O ATOM 1324 CB THR A 83 2.249 -0.006 -14.380 1.00 0.00 C ATOM 1325 OG1 THR A 83 2.019 -1.334 -14.875 1.00 0.00 O ATOM 1326 CG2 THR A 83 1.901 1.005 -15.461 1.00 0.00 C ATOM 0 H THR A 83 3.553 -1.876 -13.414 1.00 0.00 H new ATOM 0 HA THR A 83 4.300 0.526 -14.783 1.00 0.00 H new ATOM 0 HB THR A 83 1.616 0.184 -13.513 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.082 -1.424 -15.148 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.856 0.886 -15.748 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.060 2.014 -15.080 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.537 0.841 -16.331 1.00 0.00 H new ATOM 1334 N ARG A 84 4.914 1.822 -12.681 1.00 0.00 N ATOM 1335 CA ARG A 84 5.141 2.730 -11.568 1.00 0.00 C ATOM 1336 C ARG A 84 5.021 4.177 -12.019 1.00 0.00 C ATOM 1337 O ARG A 84 5.789 4.648 -12.859 1.00 0.00 O ATOM 1338 CB ARG A 84 6.518 2.480 -10.951 1.00 0.00 C ATOM 1339 CG ARG A 84 6.865 3.423 -9.808 1.00 0.00 C ATOM 1340 CD ARG A 84 8.238 3.108 -9.241 1.00 0.00 C ATOM 1341 NE ARG A 84 8.624 4.022 -8.164 1.00 0.00 N ATOM 1342 CZ ARG A 84 9.123 3.625 -6.994 1.00 0.00 C ATOM 1343 NH1 ARG A 84 9.296 2.332 -6.744 1.00 0.00 N ATOM 1344 NH2 ARG A 84 9.471 4.526 -6.083 1.00 0.00 N ATOM 0 H ARG A 84 5.666 1.800 -13.370 1.00 0.00 H new ATOM 0 HA ARG A 84 4.378 2.542 -10.813 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.561 1.453 -10.587 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.276 2.574 -11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.841 4.454 -10.162 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.115 3.339 -9.022 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.246 2.085 -8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.978 3.160 -10.040 1.00 0.00 H new ATOM 0 HE ARG A 84 8.504 5.023 -8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.047 1.638 -7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.678 2.033 -5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.356 5.520 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.853 4.224 -5.187 1.00 0.00 H new ATOM 1358 N LYS A 85 4.055 4.871 -11.445 1.00 0.00 N ATOM 1359 CA LYS A 85 3.824 6.270 -11.751 1.00 0.00 C ATOM 1360 C LYS A 85 4.158 7.103 -10.523 1.00 0.00 C ATOM 1361 O LYS A 85 3.339 7.258 -9.614 1.00 0.00 O ATOM 1362 CB LYS A 85 2.369 6.490 -12.172 1.00 0.00 C ATOM 1363 CG LYS A 85 2.138 7.797 -12.906 1.00 0.00 C ATOM 1364 CD LYS A 85 0.714 7.894 -13.425 1.00 0.00 C ATOM 1365 CE LYS A 85 0.522 9.124 -14.295 1.00 0.00 C ATOM 1366 NZ LYS A 85 0.699 10.383 -13.528 1.00 0.00 N ATOM 0 H LYS A 85 3.411 4.482 -10.756 1.00 0.00 H new ATOM 0 HA LYS A 85 4.462 6.575 -12.580 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.056 5.664 -12.811 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.736 6.465 -11.285 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.341 8.633 -12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.837 7.878 -13.738 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.473 6.999 -13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.021 7.930 -12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.234 9.099 -15.120 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.475 9.105 -14.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.460 11.195 -14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.073 10.374 -12.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.688 10.463 -13.216 1.00 0.00 H new ATOM 1380 N GLU A 86 5.379 7.600 -10.476 1.00 0.00 N ATOM 1381 CA GLU A 86 5.867 8.282 -9.296 1.00 0.00 C ATOM 1382 C GLU A 86 5.475 9.752 -9.306 1.00 0.00 C ATOM 1383 O GLU A 86 5.963 10.540 -10.117 1.00 0.00 O ATOM 1384 CB GLU A 86 7.380 8.121 -9.185 1.00 0.00 C ATOM 1385 CG GLU A 86 7.946 8.594 -7.858 1.00 0.00 C ATOM 1386 CD GLU A 86 9.356 8.099 -7.635 1.00 0.00 C ATOM 1387 OE1 GLU A 86 9.512 6.967 -7.128 1.00 0.00 O ATOM 1388 OE2 GLU A 86 10.307 8.826 -7.981 1.00 0.00 O ATOM 0 H GLU A 86 6.050 7.544 -11.242 1.00 0.00 H new ATOM 0 HA GLU A 86 5.403 7.827 -8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.637 7.071 -9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.856 8.677 -9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.935 9.684 -7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.307 8.246 -7.047 1.00 0.00 H new ATOM 1395 N SER A 87 4.562 10.098 -8.417 1.00 0.00 N ATOM 1396 CA SER A 87 4.135 11.474 -8.242 1.00 0.00 C ATOM 1397 C SER A 87 4.658 12.034 -6.924 1.00 0.00 C ATOM 1398 O SER A 87 4.617 13.244 -6.691 1.00 0.00 O ATOM 1399 CB SER A 87 2.610 11.523 -8.275 1.00 0.00 C ATOM 1400 OG SER A 87 2.060 10.409 -7.590 1.00 0.00 O ATOM 0 H SER A 87 4.097 9.435 -7.797 1.00 0.00 H new ATOM 0 HA SER A 87 4.539 12.086 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.260 12.448 -7.816 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.263 11.529 -9.308 1.00 0.00 H new ATOM 0 HG SER A 87 2.583 10.232 -6.781 1.00 0.00 H new ATOM 1406 N ASN A 88 5.175 11.132 -6.089 1.00 0.00 N ATOM 1407 CA ASN A 88 5.600 11.444 -4.721 1.00 0.00 C ATOM 1408 C ASN A 88 4.412 11.924 -3.890 1.00 0.00 C ATOM 1409 O ASN A 88 4.041 13.097 -3.941 1.00 0.00 O ATOM 1410 CB ASN A 88 6.721 12.490 -4.692 1.00 0.00 C ATOM 1411 CG ASN A 88 7.299 12.659 -3.296 1.00 0.00 C ATOM 1412 OD1 ASN A 88 7.337 11.712 -2.512 1.00 0.00 O ATOM 1413 ND2 ASN A 88 7.743 13.865 -2.974 1.00 0.00 N ATOM 0 H ASN A 88 5.312 10.154 -6.344 1.00 0.00 H new ATOM 0 HA ASN A 88 5.995 10.525 -4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 88 7.513 12.193 -5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.335 13.447 -5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 88 8.134 14.034 -2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 88 7.694 14.625 -3.653 1.00 0.00 H new ATOM 1420 N PRO A 89 3.776 11.022 -3.123 1.00 0.00 N ATOM 1421 CA PRO A 89 4.181 9.610 -3.021 1.00 0.00 C ATOM 1422 C PRO A 89 3.985 8.845 -4.329 1.00 0.00 C ATOM 1423 O PRO A 89 3.042 9.109 -5.079 1.00 0.00 O ATOM 1424 CB PRO A 89 3.258 9.050 -1.934 1.00 0.00 C ATOM 1425 CG PRO A 89 2.076 9.952 -1.934 1.00 0.00 C ATOM 1426 CD PRO A 89 2.600 11.314 -2.289 1.00 0.00 C ATOM 0 HA PRO A 89 5.242 9.512 -2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.970 8.021 -2.152 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.751 9.044 -0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.330 9.619 -2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.592 9.962 -0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.859 11.901 -2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.870 11.885 -1.400 1.00 0.00 H new ATOM 1434 N PRO A 90 4.895 7.907 -4.634 1.00 0.00 N ATOM 1435 CA PRO A 90 4.834 7.116 -5.864 1.00 0.00 C ATOM 1436 C PRO A 90 3.660 6.143 -5.879 1.00 0.00 C ATOM 1437 O PRO A 90 3.340 5.522 -4.865 1.00 0.00 O ATOM 1438 CB PRO A 90 6.157 6.346 -5.866 1.00 0.00 C ATOM 1439 CG PRO A 90 6.570 6.284 -4.436 1.00 0.00 C ATOM 1440 CD PRO A 90 6.056 7.545 -3.798 1.00 0.00 C ATOM 0 HA PRO A 90 4.690 7.750 -6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.032 5.347 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.908 6.853 -6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 90 6.154 5.403 -3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.654 6.216 -4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.767 7.380 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.811 8.331 -3.798 1.00 0.00 H new ATOM 1448 N SER A 91 3.024 6.019 -7.030 1.00 0.00 N ATOM 1449 CA SER A 91 1.930 5.085 -7.194 1.00 0.00 C ATOM 1450 C SER A 91 2.361 3.957 -8.126 1.00 0.00 C ATOM 1451 O SER A 91 3.253 4.139 -8.957 1.00 0.00 O ATOM 1452 CB SER A 91 0.696 5.811 -7.744 1.00 0.00 C ATOM 1453 OG SER A 91 -0.431 4.951 -7.812 1.00 0.00 O ATOM 0 H SER A 91 3.249 6.557 -7.867 1.00 0.00 H new ATOM 0 HA SER A 91 1.666 4.657 -6.227 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.464 6.666 -7.109 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.916 6.202 -8.737 1.00 0.00 H new ATOM 0 HG SER A 91 -0.394 4.304 -7.077 1.00 0.00 H new ATOM 1459 N ALA A 92 1.752 2.791 -7.976 1.00 0.00 N ATOM 1460 CA ALA A 92 2.098 1.643 -8.800 1.00 0.00 C ATOM 1461 C ALA A 92 0.872 0.792 -9.095 1.00 0.00 C ATOM 1462 O ALA A 92 0.108 0.460 -8.193 1.00 0.00 O ATOM 1463 CB ALA A 92 3.167 0.807 -8.112 1.00 0.00 C ATOM 0 H ALA A 92 1.016 2.615 -7.292 1.00 0.00 H new ATOM 0 HA ALA A 92 2.490 2.011 -9.748 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.418 -0.049 -8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.058 1.414 -7.954 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.792 0.456 -7.151 1.00 0.00 H new ATOM 1469 N THR A 93 0.684 0.453 -10.357 1.00 0.00 N ATOM 1470 CA THR A 93 -0.423 -0.397 -10.763 1.00 0.00 C ATOM 1471 C THR A 93 -0.030 -1.865 -10.622 1.00 0.00 C ATOM 1472 O THR A 93 1.012 -2.282 -11.135 1.00 0.00 O ATOM 1473 CB THR A 93 -0.819 -0.110 -12.223 1.00 0.00 C ATOM 1474 OG1 THR A 93 -0.932 1.308 -12.420 1.00 0.00 O ATOM 1475 CG2 THR A 93 -2.142 -0.779 -12.574 1.00 0.00 C ATOM 0 H THR A 93 1.286 0.754 -11.123 1.00 0.00 H new ATOM 0 HA THR A 93 -1.275 -0.184 -10.118 1.00 0.00 H new ATOM 0 HB THR A 93 -0.045 -0.516 -12.874 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.182 1.490 -13.350 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.397 -0.559 -13.611 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.050 -1.857 -12.443 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.927 -0.400 -11.919 1.00 0.00 H new ATOM 1483 N ILE A 94 -0.839 -2.647 -9.912 1.00 0.00 N ATOM 1484 CA ILE A 94 -0.511 -4.051 -9.706 1.00 0.00 C ATOM 1485 C ILE A 94 -1.561 -4.967 -10.324 1.00 0.00 C ATOM 1486 O ILE A 94 -2.724 -4.591 -10.472 1.00 0.00 O ATOM 1487 CB ILE A 94 -0.359 -4.408 -8.210 1.00 0.00 C ATOM 1488 CG1 ILE A 94 -1.703 -4.328 -7.486 1.00 0.00 C ATOM 1489 CG2 ILE A 94 0.652 -3.484 -7.547 1.00 0.00 C ATOM 1490 CD1 ILE A 94 -1.664 -4.904 -6.089 1.00 0.00 C ATOM 0 H ILE A 94 -1.709 -2.339 -9.478 1.00 0.00 H new ATOM 0 HA ILE A 94 0.448 -4.206 -10.201 1.00 0.00 H new ATOM 0 HB ILE A 94 0.002 -5.434 -8.142 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.018 -3.286 -7.433 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.455 -4.859 -8.070 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.749 -3.747 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.619 -3.591 -8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.313 -2.452 -7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.649 -4.816 -5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.379 -5.955 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.936 -4.357 -5.490 1.00 0.00 H new ATOM 1502 N GLN A 95 -1.129 -6.166 -10.689 1.00 0.00 N ATOM 1503 CA GLN A 95 -2.032 -7.178 -11.226 1.00 0.00 C ATOM 1504 C GLN A 95 -2.192 -8.314 -10.230 1.00 0.00 C ATOM 1505 O GLN A 95 -3.274 -8.875 -10.066 1.00 0.00 O ATOM 1506 CB GLN A 95 -1.486 -7.761 -12.529 1.00 0.00 C ATOM 1507 CG GLN A 95 -1.141 -6.737 -13.590 1.00 0.00 C ATOM 1508 CD GLN A 95 -0.646 -7.394 -14.862 1.00 0.00 C ATOM 1509 OE1 GLN A 95 -0.051 -8.475 -14.824 1.00 0.00 O ATOM 1510 NE2 GLN A 95 -0.888 -6.753 -15.993 1.00 0.00 N ATOM 0 H GLN A 95 -0.156 -6.464 -10.623 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.992 -6.698 -11.415 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.593 -8.344 -12.303 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.223 -8.452 -12.938 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.020 -6.132 -13.811 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.376 -6.061 -13.208 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.383 -5.861 -15.978 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.579 -7.150 -16.880 1.00 0.00 H new ATOM 1519 N LYS A 96 -1.092 -8.649 -9.572 1.00 0.00 N ATOM 1520 CA LYS A 96 -1.034 -9.814 -8.708 1.00 0.00 C ATOM 1521 C LYS A 96 -0.437 -9.427 -7.363 1.00 0.00 C ATOM 1522 O LYS A 96 0.379 -8.507 -7.285 1.00 0.00 O ATOM 1523 CB LYS A 96 -0.176 -10.902 -9.361 1.00 0.00 C ATOM 1524 CG LYS A 96 -0.582 -11.252 -10.783 1.00 0.00 C ATOM 1525 CD LYS A 96 0.410 -12.216 -11.418 1.00 0.00 C ATOM 1526 CE LYS A 96 0.106 -12.461 -12.890 1.00 0.00 C ATOM 1527 NZ LYS A 96 0.315 -11.242 -13.722 1.00 0.00 N ATOM 0 H LYS A 96 -0.220 -8.123 -9.623 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.043 -10.197 -8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.864 -10.575 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.226 -11.803 -8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.576 -11.699 -10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.643 -10.343 -11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.419 -11.816 -11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.389 -13.164 -10.881 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.742 -13.265 -13.261 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.926 -12.797 -12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.161 -11.475 -14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.357 -10.504 -13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.287 -10.896 -13.592 1.00 0.00 H new ATOM 1541 N TYR A 97 -0.832 -10.131 -6.314 1.00 0.00 N ATOM 1542 CA TYR A 97 -0.336 -9.843 -4.975 1.00 0.00 C ATOM 1543 C TYR A 97 -0.350 -11.100 -4.113 1.00 0.00 C ATOM 1544 O TYR A 97 -1.113 -12.034 -4.365 1.00 0.00 O ATOM 1545 CB TYR A 97 -1.170 -8.730 -4.309 1.00 0.00 C ATOM 1546 CG TYR A 97 -2.580 -9.136 -3.925 1.00 0.00 C ATOM 1547 CD1 TYR A 97 -3.476 -9.603 -4.879 1.00 0.00 C ATOM 1548 CD2 TYR A 97 -3.017 -9.049 -2.604 1.00 0.00 C ATOM 1549 CE1 TYR A 97 -4.759 -9.975 -4.535 1.00 0.00 C ATOM 1550 CE2 TYR A 97 -4.303 -9.420 -2.253 1.00 0.00 C ATOM 1551 CZ TYR A 97 -5.169 -9.883 -3.224 1.00 0.00 C ATOM 1552 OH TYR A 97 -6.447 -10.259 -2.883 1.00 0.00 O ATOM 0 H TYR A 97 -1.494 -10.905 -6.362 1.00 0.00 H new ATOM 0 HA TYR A 97 0.693 -9.496 -5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.648 -8.390 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.224 -7.880 -4.989 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.162 -9.676 -5.910 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -2.342 -8.687 -1.843 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.439 -10.337 -5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.628 -9.348 -1.225 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.579 -10.135 -1.920 1.00 0.00 H new ATOM 1562 N GLU A 98 0.523 -11.123 -3.120 1.00 0.00 N ATOM 1563 CA GLU A 98 0.571 -12.199 -2.145 1.00 0.00 C ATOM 1564 C GLU A 98 0.264 -11.646 -0.764 1.00 0.00 C ATOM 1565 O GLU A 98 1.022 -10.827 -0.243 1.00 0.00 O ATOM 1566 CB GLU A 98 1.958 -12.853 -2.124 1.00 0.00 C ATOM 1567 CG GLU A 98 2.377 -13.474 -3.444 1.00 0.00 C ATOM 1568 CD GLU A 98 3.777 -14.058 -3.395 1.00 0.00 C ATOM 1569 OE1 GLU A 98 3.931 -15.217 -2.959 1.00 0.00 O ATOM 1570 OE2 GLU A 98 4.733 -13.368 -3.804 1.00 0.00 O ATOM 0 H GLU A 98 1.220 -10.394 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.169 -12.949 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.696 -12.103 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.972 -13.623 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.669 -14.258 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.330 -12.718 -4.228 1.00 0.00 H new ATOM 1577 N LEU A 99 -0.850 -12.059 -0.184 1.00 0.00 N ATOM 1578 CA LEU A 99 -1.167 -11.660 1.175 1.00 0.00 C ATOM 1579 C LEU A 99 -0.239 -12.372 2.144 1.00 0.00 C ATOM 1580 O LEU A 99 -0.377 -13.572 2.393 1.00 0.00 O ATOM 1581 CB LEU A 99 -2.629 -11.961 1.523 1.00 0.00 C ATOM 1582 CG LEU A 99 -3.042 -11.600 2.958 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -2.883 -10.109 3.211 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -4.476 -12.030 3.227 1.00 0.00 C ATOM 0 H LEU A 99 -1.542 -12.663 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.024 -10.582 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.271 -11.419 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.813 -13.024 1.364 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.383 -12.135 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.182 -9.880 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.841 -9.824 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.512 -9.553 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.750 -11.766 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.144 -11.524 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.563 -13.109 3.096 1.00 0.00 H new ATOM 1596 N LEU A 100 0.730 -11.635 2.657 1.00 0.00 N ATOM 1597 CA LEU A 100 1.646 -12.165 3.642 1.00 0.00 C ATOM 1598 C LEU A 100 0.956 -12.171 4.993 1.00 0.00 C ATOM 1599 O LEU A 100 0.975 -11.172 5.716 1.00 0.00 O ATOM 1600 CB LEU A 100 2.927 -11.327 3.694 1.00 0.00 C ATOM 1601 CG LEU A 100 3.666 -11.186 2.360 1.00 0.00 C ATOM 1602 CD1 LEU A 100 4.856 -10.252 2.506 1.00 0.00 C ATOM 1603 CD2 LEU A 100 4.118 -12.547 1.851 1.00 0.00 C ATOM 0 H LEU A 100 0.901 -10.662 2.403 1.00 0.00 H new ATOM 0 HA LEU A 100 1.928 -13.182 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.677 -10.331 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.605 -11.773 4.422 1.00 0.00 H new ATOM 0 HG LEU A 100 2.978 -10.758 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.369 -10.164 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.510 -9.269 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.544 -10.653 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.641 -12.425 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.789 -13.003 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.249 -13.188 1.706 1.00 0.00 H new ATOM 1615 N LEU A 101 0.303 -13.281 5.302 1.00 0.00 N ATOM 1616 CA LEU A 101 -0.497 -13.384 6.509 1.00 0.00 C ATOM 1617 C LEU A 101 0.379 -13.320 7.749 1.00 0.00 C ATOM 1618 O LEU A 101 0.930 -14.332 8.190 1.00 0.00 O ATOM 1619 CB LEU A 101 -1.320 -14.676 6.505 1.00 0.00 C ATOM 1620 CG LEU A 101 -2.304 -14.826 7.670 1.00 0.00 C ATOM 1621 CD1 LEU A 101 -3.354 -13.726 7.633 1.00 0.00 C ATOM 1622 CD2 LEU A 101 -2.964 -16.195 7.639 1.00 0.00 C ATOM 0 H LEU A 101 0.313 -14.125 4.730 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.182 -12.536 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.878 -14.730 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.635 -15.524 6.517 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.746 -14.734 8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.042 -13.852 8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.866 -12.754 7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.907 -13.783 6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.659 -16.283 8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.506 -16.316 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.201 -16.969 7.720 1.00 0.00 H new ATOM 1634 N GLU A 102 0.533 -12.113 8.278 1.00 0.00 N ATOM 1635 CA GLU A 102 1.233 -11.902 9.531 1.00 0.00 C ATOM 1636 C GLU A 102 0.545 -12.734 10.608 1.00 0.00 C ATOM 1637 O GLU A 102 -0.626 -12.517 10.925 1.00 0.00 O ATOM 1638 CB GLU A 102 1.220 -10.409 9.883 1.00 0.00 C ATOM 1639 CG GLU A 102 2.395 -9.951 10.737 1.00 0.00 C ATOM 1640 CD GLU A 102 2.388 -10.557 12.120 1.00 0.00 C ATOM 1641 OE1 GLU A 102 1.438 -10.288 12.877 1.00 0.00 O ATOM 1642 OE2 GLU A 102 3.322 -11.317 12.451 1.00 0.00 O ATOM 0 H GLU A 102 0.177 -11.258 7.850 1.00 0.00 H new ATOM 0 HA GLU A 102 2.274 -12.214 9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.212 -9.831 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.294 -10.181 10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.326 -10.214 10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.374 -8.865 10.822 1.00 0.00 H new ATOM 1649 N HIS A 103 1.273 -13.688 11.160 1.00 0.00 N ATOM 1650 CA HIS A 103 0.678 -14.732 11.990 1.00 0.00 C ATOM 1651 C HIS A 103 0.407 -14.262 13.416 1.00 0.00 C ATOM 1652 O HIS A 103 0.267 -15.076 14.329 1.00 0.00 O ATOM 1653 CB HIS A 103 1.580 -15.970 11.988 1.00 0.00 C ATOM 1654 CG HIS A 103 1.717 -16.583 10.627 1.00 0.00 C ATOM 1655 ND1 HIS A 103 2.899 -16.606 9.920 1.00 0.00 N ATOM 1656 CD2 HIS A 103 0.796 -17.175 9.832 1.00 0.00 C ATOM 1657 CE1 HIS A 103 2.697 -17.181 8.749 1.00 0.00 C ATOM 1658 NE2 HIS A 103 1.428 -17.536 8.670 1.00 0.00 N ATOM 0 H HIS A 103 2.284 -13.765 11.050 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.290 -14.986 11.558 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.567 -15.696 12.360 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.175 -16.711 12.677 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -0.246 -17.334 10.069 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.444 -17.335 7.984 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.990 -18.002 7.875 1.00 0.00 H new ATOM 1667 N HIS A 104 0.319 -12.951 13.600 1.00 0.00 N ATOM 1668 CA HIS A 104 -0.044 -12.386 14.892 1.00 0.00 C ATOM 1669 C HIS A 104 -1.188 -11.388 14.732 1.00 0.00 C ATOM 1670 O HIS A 104 -2.257 -11.562 15.318 1.00 0.00 O ATOM 1671 CB HIS A 104 1.159 -11.693 15.547 1.00 0.00 C ATOM 1672 CG HIS A 104 2.364 -12.569 15.688 1.00 0.00 C ATOM 1673 ND1 HIS A 104 3.394 -12.580 14.771 1.00 0.00 N ATOM 1674 CD2 HIS A 104 2.704 -13.467 16.641 1.00 0.00 C ATOM 1675 CE1 HIS A 104 4.312 -13.445 15.155 1.00 0.00 C ATOM 1676 NE2 HIS A 104 3.917 -13.996 16.285 1.00 0.00 N ATOM 0 H HIS A 104 0.494 -12.260 12.871 1.00 0.00 H new ATOM 0 HA HIS A 104 -0.367 -13.203 15.536 1.00 0.00 H new ATOM 0 HB2 HIS A 104 1.427 -10.817 14.956 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.866 -11.334 16.534 1.00 0.00 H new ATOM 0 HD1 HIS A 104 3.439 -12.008 13.927 1.00 0.00 H new ATOM 0 HD2 HIS A 104 2.127 -13.720 17.518 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.231 -13.665 14.632 1.00 0.00 H new ATOM 1685 N HIS A 105 -0.958 -10.354 13.912 1.00 0.00 N ATOM 1686 CA HIS A 105 -1.905 -9.242 13.759 1.00 0.00 C ATOM 1687 C HIS A 105 -2.087 -8.538 15.103 1.00 0.00 C ATOM 1688 O HIS A 105 -1.292 -8.738 16.024 1.00 0.00 O ATOM 1689 CB HIS A 105 -3.263 -9.728 13.222 1.00 0.00 C ATOM 1690 CG HIS A 105 -3.341 -9.843 11.724 1.00 0.00 C ATOM 1691 ND1 HIS A 105 -2.647 -10.783 10.996 1.00 0.00 N ATOM 1692 CD2 HIS A 105 -4.062 -9.135 10.817 1.00 0.00 C ATOM 1693 CE1 HIS A 105 -2.937 -10.650 9.714 1.00 0.00 C ATOM 1694 NE2 HIS A 105 -3.794 -9.660 9.578 1.00 0.00 N ATOM 0 H HIS A 105 -0.118 -10.265 13.341 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.496 -8.540 13.032 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -3.484 -10.701 13.660 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.039 -9.042 13.561 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -2.008 -11.475 11.386 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.725 -8.310 11.032 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -2.538 -11.253 8.912 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -4.193 -9.337 8.697 1.00 0.00 H new ATOM 1703 N HIS A 106 -3.103 -7.696 15.216 1.00 0.00 N ATOM 1704 CA HIS A 106 -3.436 -7.103 16.505 1.00 0.00 C ATOM 1705 C HIS A 106 -4.920 -7.296 16.801 1.00 0.00 C ATOM 1706 O HIS A 106 -5.666 -6.339 16.999 1.00 0.00 O ATOM 1707 CB HIS A 106 -3.048 -5.621 16.552 1.00 0.00 C ATOM 1708 CG HIS A 106 -3.133 -5.028 17.928 1.00 0.00 C ATOM 1709 ND1 HIS A 106 -2.263 -5.362 18.945 1.00 0.00 N ATOM 1710 CD2 HIS A 106 -3.997 -4.128 18.456 1.00 0.00 C ATOM 1711 CE1 HIS A 106 -2.592 -4.698 20.036 1.00 0.00 C ATOM 1712 NE2 HIS A 106 -3.639 -3.942 19.768 1.00 0.00 N ATOM 0 H HIS A 106 -3.705 -7.410 14.444 1.00 0.00 H new ATOM 0 HA HIS A 106 -2.860 -7.611 17.278 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -2.031 -5.507 16.177 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -3.700 -5.061 15.882 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -4.815 -3.647 17.941 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -2.088 -4.763 20.989 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -4.106 -3.320 20.428 1.00 0.00 H new ATOM 1721 N HIS A 107 -5.341 -8.553 16.789 1.00 0.00 N ATOM 1722 CA HIS A 107 -6.720 -8.925 17.107 1.00 0.00 C ATOM 1723 C HIS A 107 -6.720 -10.269 17.825 1.00 0.00 C ATOM 1724 O HIS A 107 -7.768 -10.857 18.086 1.00 0.00 O ATOM 1725 CB HIS A 107 -7.582 -9.024 15.835 1.00 0.00 C ATOM 1726 CG HIS A 107 -7.717 -7.742 15.062 1.00 0.00 C ATOM 1727 ND1 HIS A 107 -8.753 -6.850 15.241 1.00 0.00 N ATOM 1728 CD2 HIS A 107 -6.935 -7.210 14.092 1.00 0.00 C ATOM 1729 CE1 HIS A 107 -8.601 -5.830 14.416 1.00 0.00 C ATOM 1730 NE2 HIS A 107 -7.505 -6.024 13.709 1.00 0.00 N ATOM 0 H HIS A 107 -4.741 -9.345 16.560 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.147 -8.152 17.746 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -7.153 -9.783 15.181 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -8.577 -9.370 16.114 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.029 -7.641 13.694 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -9.263 -4.980 14.334 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -7.141 -5.394 12.994 1.00 0.00 H new ATOM 1739 N HIS A 108 -5.524 -10.733 18.155 1.00 0.00 N ATOM 1740 CA HIS A 108 -5.326 -12.066 18.700 1.00 0.00 C ATOM 1741 C HIS A 108 -4.280 -12.020 19.807 1.00 0.00 C ATOM 1742 O HIS A 108 -4.667 -12.038 20.995 1.00 0.00 O ATOM 1743 CB HIS A 108 -4.897 -13.015 17.573 1.00 0.00 C ATOM 1744 CG HIS A 108 -4.438 -14.373 18.022 1.00 0.00 C ATOM 1745 ND1 HIS A 108 -5.263 -15.293 18.630 1.00 0.00 N ATOM 1746 CD2 HIS A 108 -3.229 -14.970 17.917 1.00 0.00 C ATOM 1747 CE1 HIS A 108 -4.580 -16.396 18.875 1.00 0.00 C ATOM 1748 NE2 HIS A 108 -3.342 -16.229 18.449 1.00 0.00 N ATOM 1749 OXT HIS A 108 -3.082 -11.925 19.482 1.00 0.00 O ATOM 0 H HIS A 108 -4.664 -10.195 18.052 1.00 0.00 H new ATOM 0 HA HIS A 108 -6.257 -12.435 19.130 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -5.734 -13.140 16.887 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.091 -12.544 17.010 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -2.337 -14.535 17.492 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.969 -17.287 19.346 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -2.594 -16.921 18.506 1.00 0.00 H new TER 1758 HIS A 108