USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 961 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 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 122 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 THR OG1 : rot 81:sc= -0.883 USER MOD Set 2.2: A 92 HIS : no HD1:sc= -2.19 X(o=-3.1,f=-3.1!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0333 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.108 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.75 K(o=-2.8,f=-3.4!) USER MOD Single : A 20 SER OG : rot 160:sc= -0.0913 USER MOD Single : A 24 HIS : no HD1:sc= -0.144 K(o=-0.14,f=-0.69) USER MOD Single : A 27 MET CE :methyl -168:sc= -0.55 (180deg=-1.09) USER MOD Single : A 28 THR OG1 : rot -67:sc= 1.17 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.752 X(o=-0.75,f=-0.68) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -47:sc= 0.889 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 44 GLN : amide:sc=-0.00547 K(o=-0.0055,f=-1.3!) USER MOD Single : A 45 THR OG1 : rot -150:sc= -1.01 USER MOD Single : A 46 GLN : amide:sc= 0.105 K(o=0.11,f=-0.79) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc=-0.00348 (180deg=-0.109) USER MOD Single : A 54 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.4!) USER MOD Single : A 56 THR OG1 : rot 56:sc= 0.631 USER MOD Single : A 58 GLN : amide:sc= -1.36 K(o=-1.4,f=-4.9!) USER MOD Single : A 63 ASN : amide:sc= -5.96! K(o=-6!,f=-1.4) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.73! X(o=-2.7!,f=-2.7) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00609 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -5.24! C(o=-5.2!,f=-4.4!) USER MOD Single : A 81 TYR OH : rot -108:sc= 0.145 USER MOD Single : A 82 ASN : amide:sc= -7.33! C(o=-7.3!,f=-7.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-1) USER MOD Single : A 93 SER OG : rot 180:sc= -0.394 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -8.81! C(o=-8.8!,f=-6.3!) USER MOD Single : A 102 ASN : amide:sc= -4.99! C(o=-5!,f=-9.5!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 168:sc= 0.522 (180deg=0.281) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0852 USER MOD Single : A 115 LYS NZ :NH3+ -116:sc= -0.647 (180deg=-2.55!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc=-0.00455 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.618 -15.730 -21.994 1.00 0.00 N ATOM 2 CA GLY A 1 -16.814 -14.524 -21.210 1.00 0.00 C ATOM 3 C GLY A 1 -18.091 -13.795 -21.577 1.00 0.00 C ATOM 4 O GLY A 1 -19.026 -14.395 -22.106 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.406 -16.526 -21.359 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.483 -15.938 -22.534 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.824 -15.591 -22.652 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.838 -14.783 -20.151 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.964 -13.857 -21.356 1.00 0.00 H new ATOM 8 N SER A 2 -18.131 -12.496 -21.296 1.00 0.00 N ATOM 9 CA SER A 2 -19.305 -11.685 -21.595 1.00 0.00 C ATOM 10 C SER A 2 -18.948 -10.541 -22.539 1.00 0.00 C ATOM 11 O SER A 2 -19.668 -10.267 -23.500 1.00 0.00 O ATOM 12 CB SER A 2 -19.908 -11.127 -20.305 1.00 0.00 C ATOM 13 OG SER A 2 -19.078 -10.124 -19.746 1.00 0.00 O ATOM 0 H SER A 2 -17.364 -11.983 -20.862 1.00 0.00 H new ATOM 0 HA SER A 2 -20.041 -12.322 -22.085 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.895 -10.713 -20.511 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.044 -11.934 -19.585 1.00 0.00 H new ATOM 0 HG SER A 2 -19.487 -9.782 -18.923 1.00 0.00 H new ATOM 19 N SER A 3 -17.832 -9.876 -22.258 1.00 0.00 N ATOM 20 CA SER A 3 -17.381 -8.759 -23.079 1.00 0.00 C ATOM 21 C SER A 3 -18.568 -7.962 -23.612 1.00 0.00 C ATOM 22 O SER A 3 -18.589 -7.561 -24.775 1.00 0.00 O ATOM 23 CB SER A 3 -16.528 -9.266 -24.244 1.00 0.00 C ATOM 24 OG SER A 3 -17.261 -10.165 -25.058 1.00 0.00 O ATOM 0 H SER A 3 -17.224 -10.092 -21.468 1.00 0.00 H new ATOM 0 HA SER A 3 -16.776 -8.102 -22.454 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.187 -8.422 -24.844 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.638 -9.763 -23.858 1.00 0.00 H new ATOM 0 HG SER A 3 -16.695 -10.474 -25.796 1.00 0.00 H new ATOM 30 N GLY A 4 -19.556 -7.737 -22.752 1.00 0.00 N ATOM 31 CA GLY A 4 -20.734 -6.989 -23.153 1.00 0.00 C ATOM 32 C GLY A 4 -20.501 -5.491 -23.143 1.00 0.00 C ATOM 33 O GLY A 4 -20.876 -4.792 -24.083 1.00 0.00 O ATOM 0 H GLY A 4 -19.562 -8.059 -21.784 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.035 -7.300 -24.153 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.559 -7.230 -22.483 1.00 0.00 H new ATOM 37 N SER A 5 -19.882 -4.998 -22.075 1.00 0.00 N ATOM 38 CA SER A 5 -19.605 -3.572 -21.944 1.00 0.00 C ATOM 39 C SER A 5 -18.114 -3.291 -22.108 1.00 0.00 C ATOM 40 O SER A 5 -17.721 -2.353 -22.802 1.00 0.00 O ATOM 41 CB SER A 5 -20.084 -3.061 -20.584 1.00 0.00 C ATOM 42 OG SER A 5 -20.435 -1.689 -20.649 1.00 0.00 O ATOM 0 H SER A 5 -19.563 -5.564 -21.289 1.00 0.00 H new ATOM 0 HA SER A 5 -20.145 -3.048 -22.733 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.944 -3.644 -20.255 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.299 -3.204 -19.841 1.00 0.00 H new ATOM 0 HG SER A 5 -20.739 -1.387 -19.768 1.00 0.00 H new ATOM 48 N SER A 6 -17.289 -4.111 -21.465 1.00 0.00 N ATOM 49 CA SER A 6 -15.842 -3.950 -21.536 1.00 0.00 C ATOM 50 C SER A 6 -15.316 -4.359 -22.909 1.00 0.00 C ATOM 51 O SER A 6 -15.742 -5.364 -23.475 1.00 0.00 O ATOM 52 CB SER A 6 -15.160 -4.782 -20.448 1.00 0.00 C ATOM 53 OG SER A 6 -15.409 -6.165 -20.633 1.00 0.00 O ATOM 0 H SER A 6 -17.598 -4.894 -20.889 1.00 0.00 H new ATOM 0 HA SER A 6 -15.611 -2.897 -21.376 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.086 -4.597 -20.464 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.522 -4.472 -19.468 1.00 0.00 H new ATOM 0 HG SER A 6 -14.961 -6.675 -19.926 1.00 0.00 H new ATOM 59 N GLY A 7 -14.386 -3.570 -23.439 1.00 0.00 N ATOM 60 CA GLY A 7 -13.817 -3.865 -24.741 1.00 0.00 C ATOM 61 C GLY A 7 -12.318 -3.640 -24.783 1.00 0.00 C ATOM 62 O GLY A 7 -11.565 -4.310 -24.076 1.00 0.00 O ATOM 0 H GLY A 7 -14.017 -2.732 -22.990 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.033 -4.901 -25.002 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.296 -3.239 -25.494 1.00 0.00 H new ATOM 66 N GLU A 8 -11.885 -2.698 -25.614 1.00 0.00 N ATOM 67 CA GLU A 8 -10.466 -2.390 -25.746 1.00 0.00 C ATOM 68 C GLU A 8 -9.882 -1.934 -24.412 1.00 0.00 C ATOM 69 O GLU A 8 -10.567 -1.305 -23.606 1.00 0.00 O ATOM 70 CB GLU A 8 -10.253 -1.307 -26.806 1.00 0.00 C ATOM 71 CG GLU A 8 -8.799 -1.125 -27.207 1.00 0.00 C ATOM 72 CD GLU A 8 -8.639 -0.265 -28.446 1.00 0.00 C ATOM 73 OE1 GLU A 8 -9.001 0.928 -28.391 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.150 -0.787 -29.470 1.00 0.00 O ATOM 0 H GLU A 8 -12.496 -2.135 -26.206 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.950 -3.299 -26.057 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.837 -1.558 -27.692 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.638 -0.360 -26.428 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.252 -0.671 -26.381 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.351 -2.102 -27.387 1.00 0.00 H new ATOM 81 N GLU A 9 -8.612 -2.256 -24.188 1.00 0.00 N ATOM 82 CA GLU A 9 -7.936 -1.881 -22.952 1.00 0.00 C ATOM 83 C GLU A 9 -7.663 -0.380 -22.915 1.00 0.00 C ATOM 84 O GLU A 9 -7.271 0.230 -23.910 1.00 0.00 O ATOM 85 CB GLU A 9 -6.622 -2.653 -22.808 1.00 0.00 C ATOM 86 CG GLU A 9 -5.574 -2.268 -23.839 1.00 0.00 C ATOM 87 CD GLU A 9 -4.600 -3.393 -24.127 1.00 0.00 C ATOM 88 OE1 GLU A 9 -5.013 -4.391 -24.755 1.00 0.00 O ATOM 89 OE2 GLU A 9 -3.423 -3.275 -23.726 1.00 0.00 O ATOM 0 H GLU A 9 -8.031 -2.775 -24.846 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.591 -2.135 -22.119 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.218 -2.483 -21.810 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.826 -3.720 -22.891 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.070 -1.976 -24.765 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.023 -1.397 -23.484 1.00 0.00 H new ATOM 96 N PRO A 10 -7.875 0.231 -21.740 1.00 0.00 N ATOM 97 CA PRO A 10 -7.659 1.668 -21.544 1.00 0.00 C ATOM 98 C PRO A 10 -6.181 2.042 -21.583 1.00 0.00 C ATOM 99 O PRO A 10 -5.380 1.527 -20.804 1.00 0.00 O ATOM 100 CB PRO A 10 -8.239 1.927 -20.152 1.00 0.00 C ATOM 101 CG PRO A 10 -8.147 0.615 -19.453 1.00 0.00 C ATOM 102 CD PRO A 10 -8.342 -0.433 -20.512 1.00 0.00 C ATOM 0 HA PRO A 10 -8.124 2.261 -22.332 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.675 2.697 -19.625 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.271 2.272 -20.211 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.180 0.500 -18.964 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.908 0.532 -18.677 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.765 -1.333 -20.298 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.386 -0.735 -20.591 1.00 0.00 H new ATOM 110 N SER A 11 -5.827 2.942 -22.495 1.00 0.00 N ATOM 111 CA SER A 11 -4.444 3.383 -22.637 1.00 0.00 C ATOM 112 C SER A 11 -4.129 4.509 -21.657 1.00 0.00 C ATOM 113 O SER A 11 -4.272 5.687 -21.981 1.00 0.00 O ATOM 114 CB SER A 11 -4.181 3.850 -24.070 1.00 0.00 C ATOM 115 OG SER A 11 -4.417 2.806 -24.999 1.00 0.00 O ATOM 0 H SER A 11 -6.478 3.380 -23.146 1.00 0.00 H new ATOM 0 HA SER A 11 -3.794 2.538 -22.412 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.823 4.700 -24.302 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.151 4.195 -24.160 1.00 0.00 H new ATOM 0 HG SER A 11 -4.243 3.131 -25.907 1.00 0.00 H new ATOM 121 N GLY A 12 -3.700 4.136 -20.455 1.00 0.00 N ATOM 122 CA GLY A 12 -3.371 5.125 -19.445 1.00 0.00 C ATOM 123 C GLY A 12 -3.296 4.529 -18.053 1.00 0.00 C ATOM 124 O GLY A 12 -4.212 3.830 -17.619 1.00 0.00 O ATOM 0 H GLY A 12 -3.574 3.167 -20.163 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.415 5.587 -19.691 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.120 5.916 -19.458 1.00 0.00 H new ATOM 128 N VAL A 13 -2.202 4.804 -17.351 1.00 0.00 N ATOM 129 CA VAL A 13 -2.010 4.290 -16.001 1.00 0.00 C ATOM 130 C VAL A 13 -3.123 4.760 -15.071 1.00 0.00 C ATOM 131 O VAL A 13 -3.725 3.961 -14.355 1.00 0.00 O ATOM 132 CB VAL A 13 -0.652 4.729 -15.420 1.00 0.00 C ATOM 133 CG1 VAL A 13 -0.460 4.160 -14.023 1.00 0.00 C ATOM 134 CG2 VAL A 13 0.482 4.302 -16.339 1.00 0.00 C ATOM 0 H VAL A 13 -1.434 5.381 -17.695 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.032 3.202 -16.071 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.641 5.817 -15.348 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.504 4.481 -13.629 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.256 4.520 -13.371 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.490 3.071 -14.066 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.434 4.620 -15.914 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.476 3.217 -16.445 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.350 4.763 -17.318 1.00 0.00 H new ATOM 144 N GLU A 14 -3.391 6.062 -15.088 1.00 0.00 N ATOM 145 CA GLU A 14 -4.433 6.638 -14.246 1.00 0.00 C ATOM 146 C GLU A 14 -5.744 5.873 -14.402 1.00 0.00 C ATOM 147 O GLU A 14 -6.429 5.587 -13.422 1.00 0.00 O ATOM 148 CB GLU A 14 -4.645 8.113 -14.594 1.00 0.00 C ATOM 149 CG GLU A 14 -3.609 9.038 -13.980 1.00 0.00 C ATOM 150 CD GLU A 14 -3.732 10.465 -14.478 1.00 0.00 C ATOM 151 OE1 GLU A 14 -3.282 10.738 -15.611 1.00 0.00 O ATOM 152 OE2 GLU A 14 -4.278 11.308 -13.737 1.00 0.00 O ATOM 0 H GLU A 14 -2.901 6.737 -15.675 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.109 6.561 -13.208 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.626 8.228 -15.678 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.636 8.418 -14.259 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.714 9.026 -12.895 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.612 8.662 -14.208 1.00 0.00 H new ATOM 159 N GLY A 15 -6.087 5.547 -15.645 1.00 0.00 N ATOM 160 CA GLY A 15 -7.315 4.820 -15.909 1.00 0.00 C ATOM 161 C GLY A 15 -7.569 3.723 -14.894 1.00 0.00 C ATOM 162 O GLY A 15 -8.682 3.580 -14.389 1.00 0.00 O ATOM 0 H GLY A 15 -5.536 5.773 -16.473 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.154 5.516 -15.905 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.268 4.384 -16.907 1.00 0.00 H new ATOM 166 N ALA A 16 -6.534 2.945 -14.595 1.00 0.00 N ATOM 167 CA ALA A 16 -6.649 1.855 -13.633 1.00 0.00 C ATOM 168 C ALA A 16 -7.553 2.245 -12.468 1.00 0.00 C ATOM 169 O ALA A 16 -8.544 1.572 -12.187 1.00 0.00 O ATOM 170 CB ALA A 16 -5.273 1.451 -13.125 1.00 0.00 C ATOM 0 H ALA A 16 -5.606 3.049 -15.005 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.101 1.002 -14.140 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.375 0.637 -12.408 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.658 1.122 -13.963 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.799 2.304 -12.640 1.00 0.00 H new ATOM 176 N ALA A 17 -7.203 3.335 -11.793 1.00 0.00 N ATOM 177 CA ALA A 17 -7.983 3.814 -10.659 1.00 0.00 C ATOM 178 C ALA A 17 -9.476 3.611 -10.894 1.00 0.00 C ATOM 179 O ALA A 17 -10.210 3.222 -9.986 1.00 0.00 O ATOM 180 CB ALA A 17 -7.684 5.282 -10.395 1.00 0.00 C ATOM 0 H ALA A 17 -6.384 3.903 -12.012 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.697 3.233 -9.782 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.274 5.626 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.624 5.403 -10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.940 5.870 -11.276 1.00 0.00 H new ATOM 186 N PHE A 18 -9.919 3.876 -12.119 1.00 0.00 N ATOM 187 CA PHE A 18 -11.325 3.723 -12.473 1.00 0.00 C ATOM 188 C PHE A 18 -11.940 2.525 -11.756 1.00 0.00 C ATOM 189 O PHE A 18 -12.815 2.681 -10.905 1.00 0.00 O ATOM 190 CB PHE A 18 -11.477 3.559 -13.987 1.00 0.00 C ATOM 191 CG PHE A 18 -12.842 3.093 -14.405 1.00 0.00 C ATOM 192 CD1 PHE A 18 -13.144 1.742 -14.448 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.822 4.007 -14.757 1.00 0.00 C ATOM 194 CE1 PHE A 18 -14.400 1.310 -14.832 1.00 0.00 C ATOM 195 CE2 PHE A 18 -15.080 3.581 -15.141 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.368 2.231 -15.180 1.00 0.00 C ATOM 0 H PHE A 18 -9.324 4.198 -12.883 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.853 4.623 -12.157 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.263 4.512 -14.471 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.733 2.846 -14.344 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -12.390 1.018 -14.178 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.601 5.064 -14.731 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.624 0.254 -14.860 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -15.837 4.303 -15.410 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.349 1.896 -15.482 1.00 0.00 H new ATOM 206 N GLN A 19 -11.475 1.330 -12.107 1.00 0.00 N ATOM 207 CA GLN A 19 -11.979 0.105 -11.498 1.00 0.00 C ATOM 208 C GLN A 19 -12.222 0.300 -10.005 1.00 0.00 C ATOM 209 O GLN A 19 -13.178 -0.238 -9.446 1.00 0.00 O ATOM 210 CB GLN A 19 -10.995 -1.044 -11.722 1.00 0.00 C ATOM 211 CG GLN A 19 -9.752 -0.958 -10.851 1.00 0.00 C ATOM 212 CD GLN A 19 -9.919 -1.672 -9.524 1.00 0.00 C ATOM 213 OE1 GLN A 19 -10.728 -2.592 -9.398 1.00 0.00 O ATOM 214 NE2 GLN A 19 -9.151 -1.253 -8.525 1.00 0.00 N ATOM 0 H GLN A 19 -10.750 1.184 -12.810 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.928 -0.143 -11.973 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.502 -1.989 -11.526 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.695 -1.055 -12.770 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.907 -1.389 -11.387 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.513 0.090 -10.668 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.494 -0.487 -8.673 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.218 -1.697 -7.609 1.00 0.00 H new ATOM 223 N SER A 20 -11.349 1.071 -9.364 1.00 0.00 N ATOM 224 CA SER A 20 -11.466 1.333 -7.934 1.00 0.00 C ATOM 225 C SER A 20 -12.348 2.551 -7.676 1.00 0.00 C ATOM 226 O SER A 20 -12.289 3.539 -8.407 1.00 0.00 O ATOM 227 CB SER A 20 -10.082 1.550 -7.319 1.00 0.00 C ATOM 228 OG SER A 20 -10.052 1.125 -5.968 1.00 0.00 O ATOM 0 H SER A 20 -10.553 1.525 -9.812 1.00 0.00 H new ATOM 0 HA SER A 20 -11.930 0.465 -7.467 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.335 1.001 -7.893 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.816 2.605 -7.377 1.00 0.00 H new ATOM 0 HG SER A 20 -9.124 0.968 -5.695 1.00 0.00 H new ATOM 234 N ARG A 21 -13.163 2.471 -6.629 1.00 0.00 N ATOM 235 CA ARG A 21 -14.058 3.566 -6.274 1.00 0.00 C ATOM 236 C ARG A 21 -13.326 4.621 -5.450 1.00 0.00 C ATOM 237 O ARG A 21 -13.861 5.140 -4.469 1.00 0.00 O ATOM 238 CB ARG A 21 -15.260 3.036 -5.490 1.00 0.00 C ATOM 239 CG ARG A 21 -16.365 2.478 -6.373 1.00 0.00 C ATOM 240 CD ARG A 21 -16.028 1.080 -6.868 1.00 0.00 C ATOM 241 NE ARG A 21 -16.629 0.801 -8.170 1.00 0.00 N ATOM 242 CZ ARG A 21 -17.871 0.357 -8.326 1.00 0.00 C ATOM 243 NH1 ARG A 21 -18.641 0.144 -7.268 1.00 0.00 N ATOM 244 NH2 ARG A 21 -18.347 0.127 -9.544 1.00 0.00 N ATOM 0 H ARG A 21 -13.222 1.660 -6.013 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.409 4.029 -7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.923 2.256 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.667 3.841 -4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -17.301 2.452 -5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.521 3.140 -7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.946 0.971 -6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.377 0.345 -6.143 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.064 0.956 -9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.280 0.321 -6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.594 -0.197 -7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.759 0.291 -10.361 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.301 -0.214 -9.663 1.00 0.00 H new ATOM 258 N LEU A 22 -12.100 4.934 -5.854 1.00 0.00 N ATOM 259 CA LEU A 22 -11.293 5.927 -5.154 1.00 0.00 C ATOM 260 C LEU A 22 -10.618 6.875 -6.140 1.00 0.00 C ATOM 261 O LEU A 22 -10.335 6.520 -7.285 1.00 0.00 O ATOM 262 CB LEU A 22 -10.237 5.237 -4.289 1.00 0.00 C ATOM 263 CG LEU A 22 -9.025 4.673 -5.031 1.00 0.00 C ATOM 264 CD1 LEU A 22 -7.953 5.740 -5.190 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.469 3.460 -4.299 1.00 0.00 C ATOM 0 H LEU A 22 -11.643 4.514 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.955 6.510 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.883 5.951 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.717 4.423 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.345 4.358 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.098 5.321 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.356 6.579 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.636 6.086 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.607 3.072 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.165 3.750 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.237 2.689 -4.238 1.00 0.00 H new ATOM 277 N PRO A 23 -10.351 8.109 -5.688 1.00 0.00 N ATOM 278 CA PRO A 23 -9.704 9.132 -6.514 1.00 0.00 C ATOM 279 C PRO A 23 -8.239 8.811 -6.792 1.00 0.00 C ATOM 280 O PRO A 23 -7.546 8.244 -5.947 1.00 0.00 O ATOM 281 CB PRO A 23 -9.821 10.400 -5.665 1.00 0.00 C ATOM 282 CG PRO A 23 -9.923 9.909 -4.262 1.00 0.00 C ATOM 283 CD PRO A 23 -10.660 8.600 -4.334 1.00 0.00 C ATOM 0 HA PRO A 23 -10.168 9.216 -7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.953 11.046 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.698 10.984 -5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.935 9.777 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.457 10.624 -3.636 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.320 7.904 -3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.732 8.734 -4.190 1.00 0.00 H new ATOM 291 N HIS A 24 -7.773 9.178 -7.982 1.00 0.00 N ATOM 292 CA HIS A 24 -6.390 8.929 -8.371 1.00 0.00 C ATOM 293 C HIS A 24 -5.529 10.167 -8.136 1.00 0.00 C ATOM 294 O HIS A 24 -4.312 10.068 -7.979 1.00 0.00 O ATOM 295 CB HIS A 24 -6.317 8.515 -9.840 1.00 0.00 C ATOM 296 CG HIS A 24 -7.075 9.425 -10.758 1.00 0.00 C ATOM 297 ND1 HIS A 24 -8.403 9.236 -11.077 1.00 0.00 N ATOM 298 CD2 HIS A 24 -6.684 10.536 -11.424 1.00 0.00 C ATOM 299 CE1 HIS A 24 -8.795 10.191 -11.901 1.00 0.00 C ATOM 300 NE2 HIS A 24 -7.771 10.993 -12.127 1.00 0.00 N ATOM 0 H HIS A 24 -8.333 9.649 -8.693 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.006 8.117 -7.754 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.272 8.488 -10.150 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.706 7.502 -9.943 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.700 10.981 -11.406 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.785 10.298 -12.319 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.785 11.818 -12.727 1.00 0.00 H new ATOM 309 N ASP A 25 -6.169 11.331 -8.115 1.00 0.00 N ATOM 310 CA ASP A 25 -5.462 12.589 -7.900 1.00 0.00 C ATOM 311 C ASP A 25 -5.242 12.840 -6.412 1.00 0.00 C ATOM 312 O ASP A 25 -4.273 13.489 -6.018 1.00 0.00 O ATOM 313 CB ASP A 25 -6.244 13.750 -8.517 1.00 0.00 C ATOM 314 CG ASP A 25 -5.506 15.069 -8.402 1.00 0.00 C ATOM 315 OD1 ASP A 25 -4.270 15.076 -8.580 1.00 0.00 O ATOM 316 OD2 ASP A 25 -6.165 16.096 -8.133 1.00 0.00 O ATOM 0 H ASP A 25 -7.176 11.430 -8.244 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.489 12.519 -8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.438 13.536 -9.568 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.213 13.835 -8.025 1.00 0.00 H new ATOM 321 N ARG A 26 -6.149 12.324 -5.589 1.00 0.00 N ATOM 322 CA ARG A 26 -6.055 12.495 -4.144 1.00 0.00 C ATOM 323 C ARG A 26 -6.180 11.153 -3.429 1.00 0.00 C ATOM 324 O ARG A 26 -6.620 10.164 -4.015 1.00 0.00 O ATOM 325 CB ARG A 26 -7.143 13.451 -3.651 1.00 0.00 C ATOM 326 CG ARG A 26 -8.542 13.070 -4.109 1.00 0.00 C ATOM 327 CD ARG A 26 -9.544 14.175 -3.812 1.00 0.00 C ATOM 328 NE ARG A 26 -9.609 15.159 -4.888 1.00 0.00 N ATOM 329 CZ ARG A 26 -8.849 16.248 -4.935 1.00 0.00 C ATOM 330 NH1 ARG A 26 -7.972 16.490 -3.971 1.00 0.00 N ATOM 331 NH2 ARG A 26 -8.967 17.097 -5.948 1.00 0.00 N ATOM 0 H ARG A 26 -6.957 11.784 -5.898 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.077 12.919 -3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.122 13.481 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.917 14.458 -4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.532 12.864 -5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.852 12.152 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.531 13.738 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.270 14.673 -2.882 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.274 15.002 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.879 15.840 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.390 17.327 -4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.641 16.914 -6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.383 17.933 -5.984 1.00 0.00 H new ATOM 345 N MET A 27 -5.789 11.126 -2.159 1.00 0.00 N ATOM 346 CA MET A 27 -5.858 9.906 -1.364 1.00 0.00 C ATOM 347 C MET A 27 -7.164 9.842 -0.578 1.00 0.00 C ATOM 348 O MET A 27 -7.864 10.845 -0.433 1.00 0.00 O ATOM 349 CB MET A 27 -4.668 9.829 -0.405 1.00 0.00 C ATOM 350 CG MET A 27 -3.320 9.904 -1.102 1.00 0.00 C ATOM 351 SD MET A 27 -1.993 10.421 0.005 1.00 0.00 S ATOM 352 CE MET A 27 -1.820 8.962 1.030 1.00 0.00 C ATOM 0 H MET A 27 -5.421 11.935 -1.659 1.00 0.00 H new ATOM 0 HA MET A 27 -5.823 9.056 -2.045 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.740 10.643 0.317 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.725 8.897 0.158 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.078 8.928 -1.522 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.385 10.603 -1.936 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.195 9.195 1.892 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.803 8.638 1.371 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.356 8.163 0.451 1.00 0.00 H new ATOM 362 N THR A 28 -7.488 8.655 -0.073 1.00 0.00 N ATOM 363 CA THR A 28 -8.711 8.460 0.696 1.00 0.00 C ATOM 364 C THR A 28 -8.403 8.246 2.173 1.00 0.00 C ATOM 365 O THR A 28 -7.240 8.164 2.569 1.00 0.00 O ATOM 366 CB THR A 28 -9.518 7.257 0.172 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.690 6.089 0.138 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.066 7.537 -1.219 1.00 0.00 C ATOM 0 H THR A 28 -6.920 7.815 -0.183 1.00 0.00 H new ATOM 0 HA THR A 28 -9.306 9.366 0.579 1.00 0.00 H new ATOM 0 HB THR A 28 -10.356 7.088 0.848 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.987 6.206 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.632 6.673 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.719 8.409 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.240 7.730 -1.903 1.00 0.00 H new ATOM 376 N SER A 29 -9.452 8.157 2.985 1.00 0.00 N ATOM 377 CA SER A 29 -9.292 7.956 4.420 1.00 0.00 C ATOM 378 C SER A 29 -8.278 6.853 4.705 1.00 0.00 C ATOM 379 O SER A 29 -7.437 6.984 5.593 1.00 0.00 O ATOM 380 CB SER A 29 -10.637 7.605 5.060 1.00 0.00 C ATOM 381 OG SER A 29 -11.369 8.775 5.383 1.00 0.00 O ATOM 0 H SER A 29 -10.421 8.221 2.673 1.00 0.00 H new ATOM 0 HA SER A 29 -8.923 8.886 4.853 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.218 6.986 4.376 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.471 7.015 5.962 1.00 0.00 H new ATOM 0 HG SER A 29 -12.225 8.524 5.789 1.00 0.00 H new ATOM 387 N GLN A 30 -8.366 5.766 3.944 1.00 0.00 N ATOM 388 CA GLN A 30 -7.456 4.639 4.115 1.00 0.00 C ATOM 389 C GLN A 30 -6.027 5.034 3.755 1.00 0.00 C ATOM 390 O GLN A 30 -5.157 5.105 4.622 1.00 0.00 O ATOM 391 CB GLN A 30 -7.905 3.459 3.252 1.00 0.00 C ATOM 392 CG GLN A 30 -8.858 2.513 3.963 1.00 0.00 C ATOM 393 CD GLN A 30 -8.407 2.181 5.372 1.00 0.00 C ATOM 394 OE1 GLN A 30 -9.188 2.262 6.321 1.00 0.00 O ATOM 395 NE2 GLN A 30 -7.142 1.804 5.516 1.00 0.00 N ATOM 0 H GLN A 30 -9.057 5.642 3.204 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.478 4.342 5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.389 3.841 2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.026 2.901 2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.850 2.963 4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.946 1.592 3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.530 1.751 4.702 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.782 1.568 6.441 1.00 0.00 H new ATOM 404 N GLU A 31 -5.794 5.288 2.471 1.00 0.00 N ATOM 405 CA GLU A 31 -4.470 5.674 1.998 1.00 0.00 C ATOM 406 C GLU A 31 -3.812 6.656 2.962 1.00 0.00 C ATOM 407 O GLU A 31 -2.616 6.566 3.236 1.00 0.00 O ATOM 408 CB GLU A 31 -4.564 6.296 0.603 1.00 0.00 C ATOM 409 CG GLU A 31 -4.840 5.286 -0.497 1.00 0.00 C ATOM 410 CD GLU A 31 -5.471 5.916 -1.724 1.00 0.00 C ATOM 411 OE1 GLU A 31 -6.569 6.497 -1.593 1.00 0.00 O ATOM 412 OE2 GLU A 31 -4.867 5.829 -2.813 1.00 0.00 O ATOM 0 H GLU A 31 -6.504 5.233 1.741 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.855 4.776 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.354 7.047 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.631 6.815 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.906 4.801 -0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.500 4.508 -0.113 1.00 0.00 H new ATOM 419 N ALA A 32 -4.603 7.594 3.473 1.00 0.00 N ATOM 420 CA ALA A 32 -4.099 8.593 4.407 1.00 0.00 C ATOM 421 C ALA A 32 -3.664 7.948 5.719 1.00 0.00 C ATOM 422 O ALA A 32 -2.651 8.330 6.303 1.00 0.00 O ATOM 423 CB ALA A 32 -5.157 9.656 4.665 1.00 0.00 C ATOM 0 H ALA A 32 -5.596 7.683 3.256 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.226 9.066 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.767 10.395 5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.417 10.146 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.046 9.189 5.089 1.00 0.00 H new ATOM 429 N ALA A 33 -4.437 6.968 6.176 1.00 0.00 N ATOM 430 CA ALA A 33 -4.131 6.269 7.417 1.00 0.00 C ATOM 431 C ALA A 33 -2.928 5.347 7.246 1.00 0.00 C ATOM 432 O ALA A 33 -2.069 5.262 8.124 1.00 0.00 O ATOM 433 CB ALA A 33 -5.341 5.478 7.890 1.00 0.00 C ATOM 0 H ALA A 33 -5.280 6.641 5.705 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.880 7.014 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.098 4.961 8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.176 6.158 8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.618 4.748 7.130 1.00 0.00 H new ATOM 439 N CYS A 34 -2.874 4.659 6.111 1.00 0.00 N ATOM 440 CA CYS A 34 -1.776 3.741 5.826 1.00 0.00 C ATOM 441 C CYS A 34 -0.486 4.506 5.550 1.00 0.00 C ATOM 442 O CYS A 34 0.589 4.117 6.007 1.00 0.00 O ATOM 443 CB CYS A 34 -2.123 2.855 4.629 1.00 0.00 C ATOM 444 SG CYS A 34 -2.959 1.313 5.070 1.00 0.00 S ATOM 0 H CYS A 34 -3.576 4.719 5.374 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.624 3.112 6.703 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.759 3.418 3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.207 2.617 4.089 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.213 0.633 3.991 1.00 0.00 H new ATOM 450 N PHE A 35 -0.599 5.597 4.799 1.00 0.00 N ATOM 451 CA PHE A 35 0.559 6.415 4.459 1.00 0.00 C ATOM 452 C PHE A 35 0.375 7.848 4.951 1.00 0.00 C ATOM 453 O PHE A 35 -0.126 8.717 4.237 1.00 0.00 O ATOM 454 CB PHE A 35 0.789 6.409 2.947 1.00 0.00 C ATOM 455 CG PHE A 35 0.772 5.033 2.344 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.410 4.316 2.257 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.937 4.459 1.863 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.428 3.049 1.703 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.925 3.193 1.308 1.00 0.00 C ATOM 460 CZ PHE A 35 0.740 2.488 1.227 1.00 0.00 C ATOM 0 H PHE A 35 -1.481 5.935 4.414 1.00 0.00 H new ATOM 0 HA PHE A 35 1.432 5.988 4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.021 7.016 2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.748 6.880 2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.327 4.751 2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.866 5.007 1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.355 2.499 1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.841 2.756 0.938 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.727 1.500 0.792 1.00 0.00 H new ATOM 470 N PRO A 36 0.788 8.102 6.202 1.00 0.00 N ATOM 471 CA PRO A 36 0.679 9.427 6.818 1.00 0.00 C ATOM 472 C PRO A 36 1.635 10.438 6.192 1.00 0.00 C ATOM 473 O PRO A 36 1.276 11.595 5.976 1.00 0.00 O ATOM 474 CB PRO A 36 1.054 9.171 8.280 1.00 0.00 C ATOM 475 CG PRO A 36 1.914 7.955 8.242 1.00 0.00 C ATOM 476 CD PRO A 36 1.394 7.114 7.110 1.00 0.00 C ATOM 0 HA PRO A 36 -0.314 9.856 6.687 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.588 10.020 8.707 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.168 9.010 8.894 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.959 8.221 8.082 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.864 7.412 9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.194 6.558 6.622 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.662 6.383 7.455 1.00 0.00 H new ATOM 484 N ASP A 37 2.853 9.992 5.903 1.00 0.00 N ATOM 485 CA ASP A 37 3.860 10.857 5.301 1.00 0.00 C ATOM 486 C ASP A 37 3.414 11.333 3.922 1.00 0.00 C ATOM 487 O ASP A 37 3.682 12.469 3.529 1.00 0.00 O ATOM 488 CB ASP A 37 5.197 10.121 5.192 1.00 0.00 C ATOM 489 CG ASP A 37 6.363 11.067 4.981 1.00 0.00 C ATOM 490 OD1 ASP A 37 6.167 12.112 4.327 1.00 0.00 O ATOM 491 OD2 ASP A 37 7.471 10.760 5.468 1.00 0.00 O ATOM 0 H ASP A 37 3.166 9.037 6.076 1.00 0.00 H new ATOM 0 HA ASP A 37 3.985 11.728 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.364 9.540 6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.153 9.413 4.364 1.00 0.00 H new ATOM 496 N ILE A 38 2.733 10.456 3.191 1.00 0.00 N ATOM 497 CA ILE A 38 2.250 10.787 1.856 1.00 0.00 C ATOM 498 C ILE A 38 1.112 11.799 1.919 1.00 0.00 C ATOM 499 O ILE A 38 1.164 12.847 1.274 1.00 0.00 O ATOM 500 CB ILE A 38 1.766 9.532 1.106 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.904 8.518 0.975 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.225 9.910 -0.265 1.00 0.00 C ATOM 503 CD1 ILE A 38 4.167 9.101 0.381 1.00 0.00 C ATOM 0 H ILE A 38 2.504 9.512 3.501 1.00 0.00 H new ATOM 0 HA ILE A 38 3.090 11.222 1.315 1.00 0.00 H new ATOM 0 HB ILE A 38 0.960 9.073 1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.130 8.109 1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.570 7.687 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.887 9.012 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.388 10.599 -0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.012 10.390 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.931 8.326 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.956 9.485 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.525 9.913 1.014 1.00 0.00 H new ATOM 515 N ILE A 39 0.086 11.480 2.700 1.00 0.00 N ATOM 516 CA ILE A 39 -1.064 12.364 2.850 1.00 0.00 C ATOM 517 C ILE A 39 -0.667 13.673 3.524 1.00 0.00 C ATOM 518 O ILE A 39 -1.215 14.732 3.218 1.00 0.00 O ATOM 519 CB ILE A 39 -2.184 11.696 3.668 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.385 12.636 3.792 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.671 11.301 5.045 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.235 12.698 2.542 1.00 0.00 C ATOM 0 H ILE A 39 0.027 10.616 3.239 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.435 12.573 1.847 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.504 10.793 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.005 12.312 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.029 13.638 4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.474 10.830 5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.843 10.600 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.327 12.190 5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.068 13.383 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.629 13.051 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.621 11.704 2.315 1.00 0.00 H new ATOM 534 N SER A 40 0.290 13.593 4.443 1.00 0.00 N ATOM 535 CA SER A 40 0.759 14.771 5.163 1.00 0.00 C ATOM 536 C SER A 40 1.973 15.383 4.470 1.00 0.00 C ATOM 537 O SER A 40 2.853 15.946 5.119 1.00 0.00 O ATOM 538 CB SER A 40 1.111 14.406 6.606 1.00 0.00 C ATOM 539 OG SER A 40 1.475 15.557 7.349 1.00 0.00 O ATOM 0 H SER A 40 0.756 12.725 4.706 1.00 0.00 H new ATOM 0 HA SER A 40 -0.044 15.508 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.259 13.918 7.079 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.933 13.690 6.613 1.00 0.00 H new ATOM 0 HG SER A 40 2.107 16.096 6.829 1.00 0.00 H new ATOM 545 N GLY A 41 2.012 15.267 3.146 1.00 0.00 N ATOM 546 CA GLY A 41 3.121 15.813 2.386 1.00 0.00 C ATOM 547 C GLY A 41 2.663 16.725 1.265 1.00 0.00 C ATOM 548 O GLY A 41 1.475 17.010 1.114 1.00 0.00 O ATOM 0 H GLY A 41 1.295 14.805 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.778 16.368 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.708 14.995 1.968 1.00 0.00 H new ATOM 552 N PRO A 42 3.621 17.199 0.454 1.00 0.00 N ATOM 553 CA PRO A 42 3.333 18.092 -0.672 1.00 0.00 C ATOM 554 C PRO A 42 2.594 17.381 -1.801 1.00 0.00 C ATOM 555 O PRO A 42 2.669 16.160 -1.931 1.00 0.00 O ATOM 556 CB PRO A 42 4.723 18.533 -1.138 1.00 0.00 C ATOM 557 CG PRO A 42 5.634 17.437 -0.706 1.00 0.00 C ATOM 558 CD PRO A 42 5.058 16.901 0.575 1.00 0.00 C ATOM 0 HA PRO A 42 2.683 18.918 -0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.753 18.669 -2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.008 19.484 -0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.692 16.656 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.647 17.809 -0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.239 15.831 0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.497 17.386 1.447 1.00 0.00 H new ATOM 566 N GLN A 43 1.881 18.154 -2.614 1.00 0.00 N ATOM 567 CA GLN A 43 1.128 17.597 -3.731 1.00 0.00 C ATOM 568 C GLN A 43 1.968 16.585 -4.503 1.00 0.00 C ATOM 569 O GLN A 43 1.543 15.451 -4.723 1.00 0.00 O ATOM 570 CB GLN A 43 0.665 18.713 -4.669 1.00 0.00 C ATOM 571 CG GLN A 43 -0.594 18.370 -5.448 1.00 0.00 C ATOM 572 CD GLN A 43 -1.170 19.565 -6.182 1.00 0.00 C ATOM 573 OE1 GLN A 43 -0.483 20.562 -6.405 1.00 0.00 O ATOM 574 NE2 GLN A 43 -2.439 19.471 -6.563 1.00 0.00 N ATOM 0 H GLN A 43 1.809 19.167 -2.520 1.00 0.00 H new ATOM 0 HA GLN A 43 0.254 17.085 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.486 19.616 -4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.466 18.941 -5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.369 17.581 -6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.344 17.973 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.972 18.626 -6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.881 20.244 -7.061 1.00 0.00 H new ATOM 583 N GLN A 44 3.162 17.002 -4.911 1.00 0.00 N ATOM 584 CA GLN A 44 4.061 16.131 -5.659 1.00 0.00 C ATOM 585 C GLN A 44 4.149 14.754 -5.011 1.00 0.00 C ATOM 586 O GLN A 44 3.892 13.735 -5.653 1.00 0.00 O ATOM 587 CB GLN A 44 5.454 16.756 -5.748 1.00 0.00 C ATOM 588 CG GLN A 44 6.297 16.206 -6.887 1.00 0.00 C ATOM 589 CD GLN A 44 7.556 17.016 -7.126 1.00 0.00 C ATOM 590 OE1 GLN A 44 7.622 18.197 -6.784 1.00 0.00 O ATOM 591 NE2 GLN A 44 8.564 16.384 -7.717 1.00 0.00 N ATOM 0 H GLN A 44 3.529 17.937 -4.736 1.00 0.00 H new ATOM 0 HA GLN A 44 3.658 16.014 -6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.352 17.834 -5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.978 16.590 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.570 15.174 -6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.701 16.190 -7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.466 15.404 -7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.436 16.878 -7.904 1.00 0.00 H new ATOM 600 N THR A 45 4.515 14.729 -3.733 1.00 0.00 N ATOM 601 CA THR A 45 4.639 13.477 -2.998 1.00 0.00 C ATOM 602 C THR A 45 3.396 12.611 -3.173 1.00 0.00 C ATOM 603 O THR A 45 3.478 11.485 -3.664 1.00 0.00 O ATOM 604 CB THR A 45 4.867 13.727 -1.495 1.00 0.00 C ATOM 605 OG1 THR A 45 6.079 14.465 -1.301 1.00 0.00 O ATOM 606 CG2 THR A 45 4.939 12.414 -0.732 1.00 0.00 C ATOM 0 H THR A 45 4.731 15.562 -3.186 1.00 0.00 H new ATOM 0 HA THR A 45 5.504 12.955 -3.408 1.00 0.00 H new ATOM 0 HB THR A 45 4.025 14.304 -1.113 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.471 14.228 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.100 12.617 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.004 11.868 -0.858 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.764 11.815 -1.117 1.00 0.00 H new ATOM 614 N GLN A 46 2.247 13.144 -2.770 1.00 0.00 N ATOM 615 CA GLN A 46 0.988 12.418 -2.884 1.00 0.00 C ATOM 616 C GLN A 46 0.865 11.752 -4.250 1.00 0.00 C ATOM 617 O GLN A 46 0.582 10.558 -4.347 1.00 0.00 O ATOM 618 CB GLN A 46 -0.193 13.365 -2.657 1.00 0.00 C ATOM 619 CG GLN A 46 -0.291 13.883 -1.231 1.00 0.00 C ATOM 620 CD GLN A 46 -1.463 14.823 -1.031 1.00 0.00 C ATOM 621 OE1 GLN A 46 -2.090 15.265 -1.995 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.766 15.134 0.223 1.00 0.00 N ATOM 0 H GLN A 46 2.162 14.075 -2.362 1.00 0.00 H new ATOM 0 HA GLN A 46 0.975 11.641 -2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.105 14.212 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.118 12.847 -2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.386 13.039 -0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.633 14.400 -0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.220 14.745 0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.545 15.762 0.419 1.00 0.00 H new ATOM 631 N LYS A 47 1.078 12.532 -5.304 1.00 0.00 N ATOM 632 CA LYS A 47 0.992 12.018 -6.666 1.00 0.00 C ATOM 633 C LYS A 47 1.944 10.843 -6.865 1.00 0.00 C ATOM 634 O LYS A 47 1.560 9.806 -7.407 1.00 0.00 O ATOM 635 CB LYS A 47 1.315 13.125 -7.672 1.00 0.00 C ATOM 636 CG LYS A 47 0.248 14.203 -7.754 1.00 0.00 C ATOM 637 CD LYS A 47 0.688 15.357 -8.639 1.00 0.00 C ATOM 638 CE LYS A 47 0.761 14.942 -10.101 1.00 0.00 C ATOM 639 NZ LYS A 47 -0.592 14.716 -10.681 1.00 0.00 N ATOM 0 H LYS A 47 1.312 13.523 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.027 11.670 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.265 13.586 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.447 12.681 -8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.674 13.774 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.027 14.574 -6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.010 16.187 -8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.664 15.716 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.277 15.714 -10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.352 14.030 -10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.515 14.619 -11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.001 13.847 -10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.206 15.524 -10.454 1.00 0.00 H new ATOM 653 N VAL A 48 3.186 11.011 -6.423 1.00 0.00 N ATOM 654 CA VAL A 48 4.191 9.962 -6.550 1.00 0.00 C ATOM 655 C VAL A 48 3.650 8.621 -6.068 1.00 0.00 C ATOM 656 O VAL A 48 3.879 7.586 -6.694 1.00 0.00 O ATOM 657 CB VAL A 48 5.464 10.306 -5.754 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.457 9.155 -5.812 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.090 11.589 -6.279 1.00 0.00 C ATOM 0 H VAL A 48 3.521 11.863 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 48 4.441 9.890 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 48 5.188 10.464 -4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.350 9.416 -5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.003 8.261 -5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.730 8.962 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.988 11.817 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.353 11.462 -7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.378 12.408 -6.179 1.00 0.00 H new ATOM 669 N PHE A 49 2.930 8.646 -4.952 1.00 0.00 N ATOM 670 CA PHE A 49 2.356 7.431 -4.385 1.00 0.00 C ATOM 671 C PHE A 49 1.080 7.037 -5.123 1.00 0.00 C ATOM 672 O PHE A 49 0.831 5.856 -5.367 1.00 0.00 O ATOM 673 CB PHE A 49 2.058 7.628 -2.897 1.00 0.00 C ATOM 674 CG PHE A 49 0.939 6.765 -2.390 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.380 7.076 -2.680 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.205 5.642 -1.623 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.412 6.284 -2.215 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.177 4.845 -1.156 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.134 5.167 -1.452 1.00 0.00 C ATOM 0 H PHE A 49 2.730 9.494 -4.422 1.00 0.00 H new ATOM 0 HA PHE A 49 3.084 6.628 -4.499 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.960 7.414 -2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.808 8.674 -2.720 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.604 7.948 -3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.228 5.387 -1.387 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.435 6.538 -2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.398 3.972 -0.560 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.939 4.546 -1.087 1.00 0.00 H new ATOM 689 N LEU A 50 0.275 8.033 -5.474 1.00 0.00 N ATOM 690 CA LEU A 50 -0.976 7.792 -6.184 1.00 0.00 C ATOM 691 C LEU A 50 -0.713 7.221 -7.573 1.00 0.00 C ATOM 692 O LEU A 50 -1.632 6.763 -8.252 1.00 0.00 O ATOM 693 CB LEU A 50 -1.779 9.089 -6.297 1.00 0.00 C ATOM 694 CG LEU A 50 -2.720 9.400 -5.132 1.00 0.00 C ATOM 695 CD1 LEU A 50 -3.222 10.833 -5.219 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.886 8.424 -5.113 1.00 0.00 C ATOM 0 H LEU A 50 0.466 9.016 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.553 7.063 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.079 9.918 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.368 9.049 -7.213 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.164 9.288 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.890 11.036 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.375 11.518 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.761 10.973 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.545 8.661 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.442 8.503 -6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.508 7.408 -5.001 1.00 0.00 H new ATOM 708 N PHE A 51 0.549 7.249 -7.990 1.00 0.00 N ATOM 709 CA PHE A 51 0.934 6.733 -9.298 1.00 0.00 C ATOM 710 C PHE A 51 1.439 5.298 -9.189 1.00 0.00 C ATOM 711 O PHE A 51 1.139 4.457 -10.037 1.00 0.00 O ATOM 712 CB PHE A 51 2.013 7.620 -9.922 1.00 0.00 C ATOM 713 CG PHE A 51 2.552 7.086 -11.218 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.305 5.923 -11.245 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.306 7.748 -12.411 1.00 0.00 C ATOM 716 CE1 PHE A 51 3.801 5.429 -12.436 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.800 7.258 -13.605 1.00 0.00 C ATOM 718 CZ PHE A 51 3.550 6.098 -13.618 1.00 0.00 C ATOM 0 H PHE A 51 1.322 7.624 -7.440 1.00 0.00 H new ATOM 0 HA PHE A 51 0.052 6.741 -9.938 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.601 8.615 -10.091 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.835 7.731 -9.214 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.507 5.396 -10.324 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.722 8.656 -12.407 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.385 4.520 -12.443 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.600 7.782 -14.528 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.939 5.715 -14.550 1.00 0.00 H new ATOM 728 N ILE A 52 2.209 5.026 -8.141 1.00 0.00 N ATOM 729 CA ILE A 52 2.756 3.693 -7.920 1.00 0.00 C ATOM 730 C ILE A 52 1.644 2.661 -7.769 1.00 0.00 C ATOM 731 O ILE A 52 1.734 1.554 -8.300 1.00 0.00 O ATOM 732 CB ILE A 52 3.653 3.652 -6.669 1.00 0.00 C ATOM 733 CG1 ILE A 52 4.827 4.622 -6.824 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.157 2.238 -6.424 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.309 5.202 -5.513 1.00 0.00 C ATOM 0 H ILE A 52 2.468 5.711 -7.431 1.00 0.00 H new ATOM 0 HA ILE A 52 3.358 3.450 -8.796 1.00 0.00 H new ATOM 0 HB ILE A 52 3.062 3.961 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.654 4.104 -7.309 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.530 5.436 -7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.790 2.226 -5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.309 1.570 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.735 1.903 -7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.142 5.880 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.496 5.749 -5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.637 4.396 -4.857 1.00 0.00 H new ATOM 747 N ARG A 53 0.595 3.031 -7.041 1.00 0.00 N ATOM 748 CA ARG A 53 -0.536 2.138 -6.820 1.00 0.00 C ATOM 749 C ARG A 53 -1.277 1.866 -8.126 1.00 0.00 C ATOM 750 O ARG A 53 -1.581 0.719 -8.451 1.00 0.00 O ATOM 751 CB ARG A 53 -1.495 2.740 -5.792 1.00 0.00 C ATOM 752 CG ARG A 53 -2.915 2.210 -5.901 1.00 0.00 C ATOM 753 CD ARG A 53 -3.870 2.987 -5.008 1.00 0.00 C ATOM 754 NE ARG A 53 -5.223 3.026 -5.557 1.00 0.00 N ATOM 755 CZ ARG A 53 -5.627 3.920 -6.453 1.00 0.00 C ATOM 756 NH1 ARG A 53 -4.786 4.844 -6.898 1.00 0.00 N ATOM 757 NH2 ARG A 53 -6.874 3.891 -6.904 1.00 0.00 N ATOM 0 H ARG A 53 0.505 3.944 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.151 1.193 -6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.116 2.536 -4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.510 3.823 -5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.250 2.274 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.933 1.156 -5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.893 2.531 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.501 4.005 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.894 2.329 -5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.827 4.869 -6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.099 5.529 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.523 3.182 -6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.184 4.578 -7.592 1.00 0.00 H new ATOM 771 N ASN A 54 -1.566 2.930 -8.869 1.00 0.00 N ATOM 772 CA ASN A 54 -2.273 2.806 -10.138 1.00 0.00 C ATOM 773 C ASN A 54 -1.466 1.977 -11.132 1.00 0.00 C ATOM 774 O ASN A 54 -2.005 1.098 -11.805 1.00 0.00 O ATOM 775 CB ASN A 54 -2.557 4.191 -10.725 1.00 0.00 C ATOM 776 CG ASN A 54 -3.881 4.759 -10.251 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.791 4.017 -9.882 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.993 6.082 -10.259 1.00 0.00 N ATOM 0 H ASN A 54 -1.321 3.887 -8.614 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.218 2.297 -9.950 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.752 4.872 -10.448 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.560 4.128 -11.813 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.860 6.522 -9.951 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.212 6.658 -10.573 1.00 0.00 H new ATOM 785 N ARG A 55 -0.171 2.262 -11.218 1.00 0.00 N ATOM 786 CA ARG A 55 0.711 1.543 -12.130 1.00 0.00 C ATOM 787 C ARG A 55 0.821 0.073 -11.734 1.00 0.00 C ATOM 788 O ARG A 55 0.825 -0.813 -12.589 1.00 0.00 O ATOM 789 CB ARG A 55 2.100 2.184 -12.142 1.00 0.00 C ATOM 790 CG ARG A 55 3.115 1.421 -12.977 1.00 0.00 C ATOM 791 CD ARG A 55 2.854 1.592 -14.465 1.00 0.00 C ATOM 792 NE ARG A 55 3.525 2.771 -15.007 1.00 0.00 N ATOM 793 CZ ARG A 55 3.557 3.069 -16.301 1.00 0.00 C ATOM 794 NH1 ARG A 55 2.958 2.278 -17.181 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.188 4.159 -16.717 1.00 0.00 N ATOM 0 H ARG A 55 0.291 2.986 -10.667 1.00 0.00 H new ATOM 0 HA ARG A 55 0.283 1.601 -13.131 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.018 3.201 -12.525 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.466 2.257 -11.118 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.120 1.771 -12.740 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.078 0.363 -12.719 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.195 0.704 -14.997 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.781 1.674 -14.638 1.00 0.00 H new ATOM 0 HE ARG A 55 3.995 3.400 -14.356 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.472 1.439 -16.865 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.984 2.509 -18.174 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.650 4.770 -16.043 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.212 4.386 -17.711 1.00 0.00 H new ATOM 809 N THR A 56 0.910 -0.179 -10.432 1.00 0.00 N ATOM 810 CA THR A 56 1.021 -1.540 -9.922 1.00 0.00 C ATOM 811 C THR A 56 -0.119 -2.413 -10.433 1.00 0.00 C ATOM 812 O THR A 56 0.106 -3.516 -10.934 1.00 0.00 O ATOM 813 CB THR A 56 1.022 -1.565 -8.382 1.00 0.00 C ATOM 814 OG1 THR A 56 2.198 -0.919 -7.882 1.00 0.00 O ATOM 815 CG2 THR A 56 0.963 -2.994 -7.864 1.00 0.00 C ATOM 0 H THR A 56 0.907 0.542 -9.711 1.00 0.00 H new ATOM 0 HA THR A 56 1.969 -1.937 -10.284 1.00 0.00 H new ATOM 0 HB THR A 56 0.138 -1.032 -8.032 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.253 -0.011 -8.248 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.965 -2.986 -6.774 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.052 -3.473 -8.222 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.830 -3.548 -8.224 1.00 0.00 H new ATOM 823 N LEU A 57 -1.343 -1.914 -10.303 1.00 0.00 N ATOM 824 CA LEU A 57 -2.521 -2.649 -10.753 1.00 0.00 C ATOM 825 C LEU A 57 -2.505 -2.828 -12.268 1.00 0.00 C ATOM 826 O LEU A 57 -2.835 -3.898 -12.779 1.00 0.00 O ATOM 827 CB LEU A 57 -3.796 -1.920 -10.327 1.00 0.00 C ATOM 828 CG LEU A 57 -4.298 -2.216 -8.914 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.034 -1.012 -8.345 1.00 0.00 C ATOM 830 CD2 LEU A 57 -5.199 -3.442 -8.914 1.00 0.00 C ATOM 0 H LEU A 57 -1.546 -1.004 -9.890 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.502 -3.635 -10.289 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.623 -0.847 -10.412 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.588 -2.172 -11.033 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.436 -2.423 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.384 -1.242 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.359 -0.157 -8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.887 -0.774 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.547 -3.638 -7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.056 -3.264 -9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.640 -4.304 -9.279 1.00 0.00 H new ATOM 842 N GLN A 58 -2.118 -1.774 -12.979 1.00 0.00 N ATOM 843 CA GLN A 58 -2.059 -1.816 -14.435 1.00 0.00 C ATOM 844 C GLN A 58 -1.351 -3.079 -14.915 1.00 0.00 C ATOM 845 O GLN A 58 -1.940 -3.907 -15.612 1.00 0.00 O ATOM 846 CB GLN A 58 -1.339 -0.578 -14.973 1.00 0.00 C ATOM 847 CG GLN A 58 -2.212 0.665 -15.011 1.00 0.00 C ATOM 848 CD GLN A 58 -3.138 0.692 -16.211 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.358 0.601 -16.071 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.561 0.817 -17.401 1.00 0.00 N ATOM 0 H GLN A 58 -1.841 -0.881 -12.571 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.081 -1.827 -14.815 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.464 -0.379 -14.354 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.976 -0.788 -15.979 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.805 0.716 -14.098 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.576 1.550 -15.028 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.546 0.889 -17.471 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.133 0.841 -18.245 1.00 0.00 H new ATOM 859 N LEU A 59 -0.085 -3.221 -14.538 1.00 0.00 N ATOM 860 CA LEU A 59 0.704 -4.384 -14.930 1.00 0.00 C ATOM 861 C LEU A 59 -0.027 -5.678 -14.589 1.00 0.00 C ATOM 862 O LEU A 59 -0.007 -6.637 -15.361 1.00 0.00 O ATOM 863 CB LEU A 59 2.067 -4.357 -14.238 1.00 0.00 C ATOM 864 CG LEU A 59 2.872 -3.066 -14.391 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.876 -2.925 -13.257 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.579 -3.034 -15.738 1.00 0.00 C ATOM 0 H LEU A 59 0.417 -2.546 -13.962 1.00 0.00 H new ATOM 0 HA LEU A 59 0.851 -4.345 -16.009 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.916 -4.544 -13.175 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.665 -5.182 -14.625 1.00 0.00 H new ATOM 0 HG LEU A 59 2.182 -2.223 -14.345 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.440 -2.001 -13.383 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.347 -2.901 -12.304 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.561 -3.772 -13.270 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.147 -2.108 -15.829 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.257 -3.884 -15.813 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.840 -3.087 -16.538 1.00 0.00 H new ATOM 878 N TRP A 60 -0.673 -5.698 -13.428 1.00 0.00 N ATOM 879 CA TRP A 60 -1.412 -6.874 -12.985 1.00 0.00 C ATOM 880 C TRP A 60 -2.647 -7.099 -13.851 1.00 0.00 C ATOM 881 O TRP A 60 -3.051 -8.238 -14.090 1.00 0.00 O ATOM 882 CB TRP A 60 -1.823 -6.722 -11.520 1.00 0.00 C ATOM 883 CG TRP A 60 -3.067 -7.481 -11.169 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.351 -7.018 -11.221 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.145 -8.835 -10.712 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.222 -8.004 -10.823 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.507 -9.128 -10.507 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.196 -9.830 -10.458 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -4.941 -10.373 -10.058 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.628 -11.064 -10.013 1.00 0.00 C ATOM 891 CH2 TRP A 60 -3.991 -11.328 -9.818 1.00 0.00 C ATOM 0 H TRP A 60 -0.700 -4.913 -12.777 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.759 -7.741 -13.084 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.006 -7.063 -10.884 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.977 -5.665 -11.301 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.639 -6.024 -11.529 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.237 -7.913 -10.771 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.144 -9.637 -10.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -5.990 -10.577 -9.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.903 -11.839 -9.812 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.297 -12.304 -9.472 1.00 0.00 H new ATOM 902 N LEU A 61 -3.243 -6.008 -14.319 1.00 0.00 N ATOM 903 CA LEU A 61 -4.432 -6.087 -15.160 1.00 0.00 C ATOM 904 C LEU A 61 -4.077 -6.570 -16.562 1.00 0.00 C ATOM 905 O LEU A 61 -4.891 -7.200 -17.238 1.00 0.00 O ATOM 906 CB LEU A 61 -5.118 -4.722 -15.237 1.00 0.00 C ATOM 907 CG LEU A 61 -6.176 -4.440 -14.170 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.681 -3.010 -14.283 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.329 -5.426 -14.289 1.00 0.00 C ATOM 0 H LEU A 61 -2.922 -5.058 -14.130 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.117 -6.806 -14.711 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.352 -3.949 -15.173 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.586 -4.628 -16.217 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.717 -4.564 -13.189 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.433 -2.828 -13.515 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.849 -2.319 -14.147 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.123 -2.857 -15.268 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.073 -5.210 -13.522 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.787 -5.334 -15.274 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.955 -6.441 -14.157 1.00 0.00 H new ATOM 921 N ASP A 62 -2.856 -6.273 -16.993 1.00 0.00 N ATOM 922 CA ASP A 62 -2.391 -6.680 -18.314 1.00 0.00 C ATOM 923 C ASP A 62 -1.820 -8.094 -18.277 1.00 0.00 C ATOM 924 O ASP A 62 -1.891 -8.828 -19.262 1.00 0.00 O ATOM 925 CB ASP A 62 -1.333 -5.703 -18.829 1.00 0.00 C ATOM 926 CG ASP A 62 -1.944 -4.472 -19.469 1.00 0.00 C ATOM 927 OD1 ASP A 62 -2.837 -4.631 -20.328 1.00 0.00 O ATOM 928 OD2 ASP A 62 -1.530 -3.350 -19.111 1.00 0.00 O ATOM 0 H ASP A 62 -2.170 -5.752 -16.447 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.245 -6.670 -18.992 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.691 -5.398 -18.002 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.698 -6.210 -19.556 1.00 0.00 H new ATOM 933 N ASN A 63 -1.253 -8.469 -17.135 1.00 0.00 N ATOM 934 CA ASN A 63 -0.669 -9.795 -16.970 1.00 0.00 C ATOM 935 C ASN A 63 -1.082 -10.410 -15.637 1.00 0.00 C ATOM 936 O ASN A 63 -0.249 -10.830 -14.833 1.00 0.00 O ATOM 937 CB ASN A 63 0.857 -9.716 -17.057 1.00 0.00 C ATOM 938 CG ASN A 63 1.468 -10.977 -17.638 1.00 0.00 C ATOM 939 OD1 ASN A 63 2.056 -10.954 -18.719 1.00 0.00 O ATOM 940 ND2 ASN A 63 1.331 -12.086 -16.919 1.00 0.00 N ATOM 0 H ASN A 63 -1.186 -7.873 -16.310 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.041 -10.431 -17.773 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.140 -8.862 -17.672 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.267 -9.542 -16.062 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.721 -12.965 -17.258 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.835 -12.058 -16.028 1.00 0.00 H new ATOM 947 N PRO A 64 -2.400 -10.466 -15.394 1.00 0.00 N ATOM 948 CA PRO A 64 -2.954 -11.029 -14.160 1.00 0.00 C ATOM 949 C PRO A 64 -2.776 -12.542 -14.081 1.00 0.00 C ATOM 950 O PRO A 64 -3.218 -13.181 -13.126 1.00 0.00 O ATOM 951 CB PRO A 64 -4.440 -10.669 -14.241 1.00 0.00 C ATOM 952 CG PRO A 64 -4.715 -10.525 -15.698 1.00 0.00 C ATOM 953 CD PRO A 64 -3.450 -9.984 -16.307 1.00 0.00 C ATOM 0 HA PRO A 64 -2.454 -10.638 -13.274 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.061 -11.447 -13.796 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.653 -9.745 -13.704 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.982 -11.484 -16.141 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.552 -9.849 -15.872 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.302 -10.354 -17.321 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.465 -8.896 -16.364 1.00 0.00 H new ATOM 961 N LYS A 65 -2.126 -13.109 -15.091 1.00 0.00 N ATOM 962 CA LYS A 65 -1.887 -14.547 -15.137 1.00 0.00 C ATOM 963 C LYS A 65 -0.660 -14.921 -14.311 1.00 0.00 C ATOM 964 O LYS A 65 -0.331 -16.099 -14.171 1.00 0.00 O ATOM 965 CB LYS A 65 -1.701 -15.008 -16.584 1.00 0.00 C ATOM 966 CG LYS A 65 -0.592 -14.275 -17.319 1.00 0.00 C ATOM 967 CD LYS A 65 0.055 -15.156 -18.374 1.00 0.00 C ATOM 968 CE LYS A 65 1.517 -14.792 -18.583 1.00 0.00 C ATOM 969 NZ LYS A 65 2.204 -15.753 -19.489 1.00 0.00 N ATOM 0 H LYS A 65 -1.755 -12.594 -15.890 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.756 -15.048 -14.712 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.485 -16.076 -16.591 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.637 -14.868 -17.124 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.997 -13.379 -17.790 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.163 -13.946 -16.605 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.022 -16.201 -18.074 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.485 -15.054 -19.316 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.585 -13.787 -19.000 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.028 -14.772 -17.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.198 -15.470 -19.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.162 -16.708 -19.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.733 -15.753 -20.416 1.00 0.00 H new ATOM 983 N ILE A 66 0.011 -13.912 -13.766 1.00 0.00 N ATOM 984 CA ILE A 66 1.199 -14.136 -12.953 1.00 0.00 C ATOM 985 C ILE A 66 1.170 -13.282 -11.690 1.00 0.00 C ATOM 986 O ILE A 66 0.654 -12.165 -11.697 1.00 0.00 O ATOM 987 CB ILE A 66 2.487 -13.826 -13.739 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.660 -12.315 -13.900 1.00 0.00 C ATOM 989 CG2 ILE A 66 2.454 -14.509 -15.099 1.00 0.00 C ATOM 990 CD1 ILE A 66 3.913 -11.927 -14.655 1.00 0.00 C ATOM 0 H ILE A 66 -0.248 -12.931 -13.873 1.00 0.00 H new ATOM 0 HA ILE A 66 1.197 -15.190 -12.676 1.00 0.00 H new ATOM 0 HB ILE A 66 3.339 -14.213 -13.180 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.792 -11.912 -14.421 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.682 -11.853 -12.913 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.371 -14.281 -15.643 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.372 -15.587 -14.963 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.596 -14.149 -15.666 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.970 -10.841 -14.731 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.788 -12.300 -14.123 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.884 -12.360 -15.655 1.00 0.00 H new ATOM 1002 N GLN A 67 1.729 -13.815 -10.609 1.00 0.00 N ATOM 1003 CA GLN A 67 1.768 -13.100 -9.338 1.00 0.00 C ATOM 1004 C GLN A 67 2.652 -11.862 -9.438 1.00 0.00 C ATOM 1005 O GLN A 67 3.761 -11.918 -9.971 1.00 0.00 O ATOM 1006 CB GLN A 67 2.281 -14.019 -8.228 1.00 0.00 C ATOM 1007 CG GLN A 67 3.795 -14.153 -8.199 1.00 0.00 C ATOM 1008 CD GLN A 67 4.358 -14.687 -9.501 1.00 0.00 C ATOM 1009 OE1 GLN A 67 4.046 -15.804 -9.914 1.00 0.00 O ATOM 1010 NE2 GLN A 67 5.194 -13.890 -10.156 1.00 0.00 N ATOM 0 H GLN A 67 2.161 -14.739 -10.587 1.00 0.00 H new ATOM 0 HA GLN A 67 0.754 -12.782 -9.097 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.940 -13.638 -7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.840 -15.008 -8.354 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.238 -13.180 -7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.082 -14.817 -7.384 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.425 -12.972 -9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.605 -14.196 -11.038 1.00 0.00 H new ATOM 1019 N LEU A 68 2.155 -10.743 -8.921 1.00 0.00 N ATOM 1020 CA LEU A 68 2.899 -9.489 -8.952 1.00 0.00 C ATOM 1021 C LEU A 68 3.679 -9.287 -7.657 1.00 0.00 C ATOM 1022 O LEU A 68 3.110 -8.931 -6.624 1.00 0.00 O ATOM 1023 CB LEU A 68 1.947 -8.313 -9.176 1.00 0.00 C ATOM 1024 CG LEU A 68 2.580 -7.030 -9.714 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.211 -7.276 -11.075 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.544 -5.918 -9.797 1.00 0.00 C ATOM 0 H LEU A 68 1.240 -10.679 -8.475 1.00 0.00 H new ATOM 0 HA LEU A 68 3.608 -9.536 -9.778 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.168 -8.629 -9.870 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.456 -8.083 -8.230 1.00 0.00 H new ATOM 0 HG LEU A 68 3.364 -6.718 -9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.657 -6.351 -11.442 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.983 -8.040 -10.985 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.446 -7.613 -11.775 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.012 -5.012 -10.182 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.737 -6.221 -10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.139 -5.723 -8.804 1.00 0.00 H new ATOM 1038 N THR A 69 4.988 -9.515 -7.718 1.00 0.00 N ATOM 1039 CA THR A 69 5.846 -9.357 -6.551 1.00 0.00 C ATOM 1040 C THR A 69 6.340 -7.921 -6.422 1.00 0.00 C ATOM 1041 O THR A 69 6.223 -7.127 -7.356 1.00 0.00 O ATOM 1042 CB THR A 69 7.061 -10.302 -6.615 1.00 0.00 C ATOM 1043 OG1 THR A 69 7.893 -9.955 -7.728 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.614 -11.751 -6.742 1.00 0.00 C ATOM 0 H THR A 69 5.476 -9.810 -8.564 1.00 0.00 H new ATOM 0 HA THR A 69 5.243 -9.611 -5.679 1.00 0.00 H new ATOM 0 HB THR A 69 7.627 -10.193 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.664 -10.559 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.489 -12.399 -6.785 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.005 -12.021 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.027 -11.872 -7.653 1.00 0.00 H new ATOM 1052 N PHE A 70 6.895 -7.593 -5.259 1.00 0.00 N ATOM 1053 CA PHE A 70 7.407 -6.251 -5.008 1.00 0.00 C ATOM 1054 C PHE A 70 8.498 -5.889 -6.011 1.00 0.00 C ATOM 1055 O PHE A 70 8.518 -4.783 -6.549 1.00 0.00 O ATOM 1056 CB PHE A 70 7.954 -6.149 -3.583 1.00 0.00 C ATOM 1057 CG PHE A 70 8.950 -5.040 -3.401 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.526 -3.740 -3.178 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.311 -5.298 -3.453 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.441 -2.718 -3.011 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.230 -4.279 -3.286 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.795 -2.988 -3.064 1.00 0.00 C ATOM 0 H PHE A 70 7.001 -8.238 -4.476 1.00 0.00 H new ATOM 0 HA PHE A 70 6.583 -5.547 -5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.123 -5.997 -2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.423 -7.095 -3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.469 -3.523 -3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.657 -6.306 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.098 -1.708 -2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.288 -4.493 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.511 -2.191 -2.932 1.00 0.00 H new ATOM 1072 N GLU A 71 9.405 -6.831 -6.256 1.00 0.00 N ATOM 1073 CA GLU A 71 10.500 -6.610 -7.193 1.00 0.00 C ATOM 1074 C GLU A 71 9.968 -6.264 -8.581 1.00 0.00 C ATOM 1075 O GLU A 71 10.305 -5.224 -9.145 1.00 0.00 O ATOM 1076 CB GLU A 71 11.391 -7.852 -7.271 1.00 0.00 C ATOM 1077 CG GLU A 71 12.485 -7.883 -6.217 1.00 0.00 C ATOM 1078 CD GLU A 71 13.628 -6.938 -6.533 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.866 -6.676 -7.731 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.284 -6.460 -5.584 1.00 0.00 O ATOM 0 H GLU A 71 9.403 -7.753 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 71 11.091 -5.769 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.770 -8.742 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.849 -7.899 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.059 -7.620 -5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.872 -8.898 -6.130 1.00 0.00 H new ATOM 1087 N ALA A 72 9.135 -7.145 -9.125 1.00 0.00 N ATOM 1088 CA ALA A 72 8.555 -6.933 -10.445 1.00 0.00 C ATOM 1089 C ALA A 72 7.963 -5.533 -10.567 1.00 0.00 C ATOM 1090 O ALA A 72 8.375 -4.745 -11.419 1.00 0.00 O ATOM 1091 CB ALA A 72 7.491 -7.984 -10.729 1.00 0.00 C ATOM 0 H ALA A 72 8.847 -8.012 -8.672 1.00 0.00 H new ATOM 0 HA ALA A 72 9.351 -7.028 -11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.066 -7.814 -11.718 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.941 -8.976 -10.693 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.703 -7.916 -9.979 1.00 0.00 H new ATOM 1097 N THR A 73 6.994 -5.228 -9.709 1.00 0.00 N ATOM 1098 CA THR A 73 6.345 -3.924 -9.722 1.00 0.00 C ATOM 1099 C THR A 73 7.372 -2.798 -9.730 1.00 0.00 C ATOM 1100 O THR A 73 7.217 -1.806 -10.444 1.00 0.00 O ATOM 1101 CB THR A 73 5.416 -3.746 -8.506 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.447 -4.801 -8.472 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.707 -2.402 -8.558 1.00 0.00 C ATOM 0 H THR A 73 6.642 -5.867 -8.996 1.00 0.00 H new ATOM 0 HA THR A 73 5.751 -3.877 -10.635 1.00 0.00 H new ATOM 0 HB THR A 73 6.025 -3.782 -7.603 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.849 -5.602 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.057 -2.300 -7.689 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.446 -1.601 -8.555 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.109 -2.341 -9.467 1.00 0.00 H new ATOM 1111 N LEU A 74 8.423 -2.957 -8.933 1.00 0.00 N ATOM 1112 CA LEU A 74 9.478 -1.953 -8.849 1.00 0.00 C ATOM 1113 C LEU A 74 10.210 -1.819 -10.181 1.00 0.00 C ATOM 1114 O LEU A 74 10.299 -0.728 -10.743 1.00 0.00 O ATOM 1115 CB LEU A 74 10.471 -2.319 -7.744 1.00 0.00 C ATOM 1116 CG LEU A 74 11.844 -1.652 -7.827 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.791 -0.247 -7.249 1.00 0.00 C ATOM 1118 CD2 LEU A 74 12.888 -2.489 -7.103 1.00 0.00 C ATOM 0 H LEU A 74 8.567 -3.771 -8.336 1.00 0.00 H new ATOM 0 HA LEU A 74 9.015 -0.995 -8.611 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.024 -2.065 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.613 -3.400 -7.754 1.00 0.00 H new ATOM 0 HG LEU A 74 12.129 -1.580 -8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.777 0.212 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.073 0.351 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.484 -0.295 -6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.859 -1.999 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.608 -2.593 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.946 -3.476 -7.563 1.00 0.00 H new ATOM 1130 N GLN A 75 10.729 -2.936 -10.680 1.00 0.00 N ATOM 1131 CA GLN A 75 11.451 -2.943 -11.947 1.00 0.00 C ATOM 1132 C GLN A 75 10.634 -2.268 -13.043 1.00 0.00 C ATOM 1133 O GLN A 75 11.115 -1.359 -13.718 1.00 0.00 O ATOM 1134 CB GLN A 75 11.790 -4.377 -12.357 1.00 0.00 C ATOM 1135 CG GLN A 75 12.771 -5.062 -11.419 1.00 0.00 C ATOM 1136 CD GLN A 75 13.571 -6.152 -12.106 1.00 0.00 C ATOM 1137 OE1 GLN A 75 13.352 -7.341 -11.870 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.504 -5.752 -12.962 1.00 0.00 N ATOM 0 H GLN A 75 10.663 -3.847 -10.227 1.00 0.00 H new ATOM 0 HA GLN A 75 12.376 -2.383 -11.812 1.00 0.00 H new ATOM 0 HB2 GLN A 75 10.871 -4.961 -12.398 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.208 -4.369 -13.364 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.455 -4.319 -11.008 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.225 -5.492 -10.579 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.651 -4.756 -13.127 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.073 -6.440 -13.454 1.00 0.00 H new ATOM 1147 N GLN A 76 9.395 -2.719 -13.214 1.00 0.00 N ATOM 1148 CA GLN A 76 8.511 -2.158 -14.229 1.00 0.00 C ATOM 1149 C GLN A 76 8.208 -0.692 -13.938 1.00 0.00 C ATOM 1150 O GLN A 76 8.023 0.109 -14.855 1.00 0.00 O ATOM 1151 CB GLN A 76 7.209 -2.957 -14.299 1.00 0.00 C ATOM 1152 CG GLN A 76 7.409 -4.416 -14.674 1.00 0.00 C ATOM 1153 CD GLN A 76 6.203 -5.274 -14.346 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.399 -5.595 -15.222 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.070 -5.650 -13.080 1.00 0.00 N ATOM 0 H GLN A 76 8.981 -3.471 -12.663 1.00 0.00 H new ATOM 0 HA GLN A 76 9.019 -2.220 -15.191 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.708 -2.905 -13.332 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.545 -2.491 -15.028 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.621 -4.487 -15.741 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.281 -4.806 -14.149 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.760 -5.361 -12.387 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.278 -6.228 -12.800 1.00 0.00 H new ATOM 1164 N LEU A 77 8.158 -0.347 -12.656 1.00 0.00 N ATOM 1165 CA LEU A 77 7.877 1.023 -12.243 1.00 0.00 C ATOM 1166 C LEU A 77 8.952 1.977 -12.752 1.00 0.00 C ATOM 1167 O LEU A 77 10.098 1.580 -12.961 1.00 0.00 O ATOM 1168 CB LEU A 77 7.784 1.108 -10.718 1.00 0.00 C ATOM 1169 CG LEU A 77 6.381 0.982 -10.123 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.454 0.514 -8.678 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.640 2.308 -10.219 1.00 0.00 C ATOM 0 H LEU A 77 8.308 -0.997 -11.885 1.00 0.00 H new ATOM 0 HA LEU A 77 6.921 1.318 -12.676 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.409 0.324 -10.292 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.207 2.061 -10.401 1.00 0.00 H new ATOM 0 HG LEU A 77 5.829 0.238 -10.697 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.446 0.430 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.945 -0.458 -8.635 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.023 1.234 -8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.643 2.200 -9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.190 3.073 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.555 2.603 -11.265 1.00 0.00 H new ATOM 1183 N GLU A 78 8.575 3.237 -12.948 1.00 0.00 N ATOM 1184 CA GLU A 78 9.508 4.247 -13.431 1.00 0.00 C ATOM 1185 C GLU A 78 9.682 5.363 -12.405 1.00 0.00 C ATOM 1186 O GLU A 78 8.719 6.034 -12.034 1.00 0.00 O ATOM 1187 CB GLU A 78 9.020 4.831 -14.759 1.00 0.00 C ATOM 1188 CG GLU A 78 7.664 5.510 -14.663 1.00 0.00 C ATOM 1189 CD GLU A 78 7.190 6.057 -15.995 1.00 0.00 C ATOM 1190 OE1 GLU A 78 7.649 5.552 -17.041 1.00 0.00 O ATOM 1191 OE2 GLU A 78 6.361 6.991 -15.992 1.00 0.00 O ATOM 0 H GLU A 78 7.630 3.582 -12.780 1.00 0.00 H new ATOM 0 HA GLU A 78 10.474 3.767 -13.587 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.753 5.552 -15.121 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.966 4.033 -15.499 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.931 4.797 -14.286 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.720 6.323 -13.939 1.00 0.00 H new ATOM 1198 N ALA A 79 10.916 5.554 -11.951 1.00 0.00 N ATOM 1199 CA ALA A 79 11.216 6.589 -10.969 1.00 0.00 C ATOM 1200 C ALA A 79 10.600 7.924 -11.372 1.00 0.00 C ATOM 1201 O ALA A 79 10.213 8.135 -12.522 1.00 0.00 O ATOM 1202 CB ALA A 79 12.721 6.731 -10.796 1.00 0.00 C ATOM 0 H ALA A 79 11.724 5.006 -12.247 1.00 0.00 H new ATOM 0 HA ALA A 79 10.778 6.290 -10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.931 7.507 -10.060 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.139 5.784 -10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.173 7.004 -11.750 1.00 0.00 H new ATOM 1208 N PRO A 80 10.504 8.849 -10.405 1.00 0.00 N ATOM 1209 CA PRO A 80 10.961 8.609 -9.033 1.00 0.00 C ATOM 1210 C PRO A 80 10.081 7.606 -8.296 1.00 0.00 C ATOM 1211 O PRO A 80 10.389 7.200 -7.175 1.00 0.00 O ATOM 1212 CB PRO A 80 10.861 9.990 -8.380 1.00 0.00 C ATOM 1213 CG PRO A 80 9.819 10.707 -9.167 1.00 0.00 C ATOM 1214 CD PRO A 80 9.943 10.199 -10.577 1.00 0.00 C ATOM 0 HA PRO A 80 11.963 8.181 -9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.580 9.912 -7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.816 10.515 -8.416 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.824 10.511 -8.767 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.972 11.785 -9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.977 10.171 -11.081 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.597 10.833 -11.176 1.00 0.00 H new ATOM 1222 N TYR A 81 8.984 7.209 -8.932 1.00 0.00 N ATOM 1223 CA TYR A 81 8.058 6.254 -8.335 1.00 0.00 C ATOM 1224 C TYR A 81 8.809 5.072 -7.730 1.00 0.00 C ATOM 1225 O TYR A 81 8.608 4.724 -6.567 1.00 0.00 O ATOM 1226 CB TYR A 81 7.061 5.756 -9.383 1.00 0.00 C ATOM 1227 CG TYR A 81 6.474 6.860 -10.233 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.130 8.085 -9.675 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.264 6.678 -11.594 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.593 9.096 -10.448 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.729 7.684 -12.375 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.395 8.891 -11.798 1.00 0.00 C ATOM 1233 OH TYR A 81 4.861 9.896 -12.572 1.00 0.00 O ATOM 0 H TYR A 81 8.715 7.534 -9.861 1.00 0.00 H new ATOM 0 HA TYR A 81 7.515 6.762 -7.538 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.558 5.035 -10.032 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.252 5.227 -8.880 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.285 8.250 -8.619 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.523 5.734 -12.049 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.330 10.042 -9.998 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.573 7.526 -13.432 1.00 0.00 H new ATOM 0 HH TYR A 81 3.940 9.666 -12.817 1.00 0.00 H new ATOM 1243 N ASN A 82 9.677 4.458 -8.528 1.00 0.00 N ATOM 1244 CA ASN A 82 10.459 3.315 -8.072 1.00 0.00 C ATOM 1245 C ASN A 82 11.591 3.763 -7.153 1.00 0.00 C ATOM 1246 O ASN A 82 11.912 3.090 -6.173 1.00 0.00 O ATOM 1247 CB ASN A 82 11.031 2.552 -9.269 1.00 0.00 C ATOM 1248 CG ASN A 82 12.319 3.165 -9.784 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.275 3.350 -9.031 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.349 3.483 -11.072 1.00 0.00 N ATOM 0 H ASN A 82 9.856 4.733 -9.494 1.00 0.00 H new ATOM 0 HA ASN A 82 9.798 2.655 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.214 1.516 -8.982 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.294 2.535 -10.072 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.189 3.899 -11.475 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.532 3.312 -11.659 1.00 0.00 H new ATOM 1257 N SER A 83 12.192 4.904 -7.475 1.00 0.00 N ATOM 1258 CA SER A 83 13.291 5.440 -6.680 1.00 0.00 C ATOM 1259 C SER A 83 13.091 5.130 -5.199 1.00 0.00 C ATOM 1260 O SER A 83 13.987 4.607 -4.537 1.00 0.00 O ATOM 1261 CB SER A 83 13.406 6.952 -6.885 1.00 0.00 C ATOM 1262 OG SER A 83 14.465 7.492 -6.114 1.00 0.00 O ATOM 0 H SER A 83 11.937 5.475 -8.281 1.00 0.00 H new ATOM 0 HA SER A 83 14.214 4.964 -7.012 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.574 7.167 -7.940 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.468 7.432 -6.607 1.00 0.00 H new ATOM 0 HG SER A 83 14.519 8.459 -6.264 1.00 0.00 H new ATOM 1268 N ASP A 84 11.910 5.458 -4.687 1.00 0.00 N ATOM 1269 CA ASP A 84 11.591 5.215 -3.285 1.00 0.00 C ATOM 1270 C ASP A 84 11.073 3.794 -3.084 1.00 0.00 C ATOM 1271 O ASP A 84 9.864 3.558 -3.066 1.00 0.00 O ATOM 1272 CB ASP A 84 10.552 6.224 -2.794 1.00 0.00 C ATOM 1273 CG ASP A 84 10.695 6.529 -1.315 1.00 0.00 C ATOM 1274 OD1 ASP A 84 11.838 6.503 -0.812 1.00 0.00 O ATOM 1275 OD2 ASP A 84 9.665 6.795 -0.662 1.00 0.00 O ATOM 0 H ASP A 84 11.158 5.893 -5.222 1.00 0.00 H new ATOM 0 HA ASP A 84 12.505 5.335 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.650 7.148 -3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.552 5.835 -2.987 1.00 0.00 H new ATOM 1280 N THR A 85 11.996 2.848 -2.935 1.00 0.00 N ATOM 1281 CA THR A 85 11.633 1.451 -2.738 1.00 0.00 C ATOM 1282 C THR A 85 10.675 1.291 -1.563 1.00 0.00 C ATOM 1283 O THR A 85 9.649 0.620 -1.672 1.00 0.00 O ATOM 1284 CB THR A 85 12.877 0.576 -2.494 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.735 1.203 -1.533 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.640 0.347 -3.789 1.00 0.00 C ATOM 0 H THR A 85 13.000 3.025 -2.947 1.00 0.00 H new ATOM 0 HA THR A 85 11.140 1.122 -3.652 1.00 0.00 H new ATOM 0 HB THR A 85 12.546 -0.389 -2.111 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.523 0.640 -1.382 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.514 -0.273 -3.591 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.993 -0.156 -4.508 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.960 1.306 -4.197 1.00 0.00 H new ATOM 1294 N VAL A 86 11.017 1.914 -0.439 1.00 0.00 N ATOM 1295 CA VAL A 86 10.185 1.842 0.757 1.00 0.00 C ATOM 1296 C VAL A 86 8.718 2.084 0.422 1.00 0.00 C ATOM 1297 O VAL A 86 7.829 1.433 0.972 1.00 0.00 O ATOM 1298 CB VAL A 86 10.635 2.868 1.815 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.145 4.261 1.449 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.136 2.464 3.194 1.00 0.00 C ATOM 0 H VAL A 86 11.863 2.473 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 86 10.300 0.837 1.163 1.00 0.00 H new ATOM 0 HB VAL A 86 11.725 2.886 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.472 4.973 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.555 4.548 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.056 4.262 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.463 3.199 3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.047 2.417 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.540 1.486 3.455 1.00 0.00 H new ATOM 1310 N LEU A 87 8.471 3.023 -0.485 1.00 0.00 N ATOM 1311 CA LEU A 87 7.110 3.351 -0.895 1.00 0.00 C ATOM 1312 C LEU A 87 6.503 2.221 -1.721 1.00 0.00 C ATOM 1313 O LEU A 87 5.366 1.810 -1.488 1.00 0.00 O ATOM 1314 CB LEU A 87 7.099 4.650 -1.703 1.00 0.00 C ATOM 1315 CG LEU A 87 5.782 5.427 -1.707 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.411 5.856 -0.296 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.879 6.636 -2.626 1.00 0.00 C ATOM 0 H LEU A 87 9.195 3.570 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 87 6.508 3.484 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.881 5.302 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.362 4.415 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 87 4.997 4.772 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.471 6.408 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.299 4.974 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.197 6.494 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.933 7.177 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.676 7.293 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.097 6.305 -3.641 1.00 0.00 H new ATOM 1329 N VAL A 88 7.270 1.721 -2.684 1.00 0.00 N ATOM 1330 CA VAL A 88 6.809 0.635 -3.542 1.00 0.00 C ATOM 1331 C VAL A 88 6.445 -0.597 -2.722 1.00 0.00 C ATOM 1332 O VAL A 88 5.524 -1.337 -3.068 1.00 0.00 O ATOM 1333 CB VAL A 88 7.878 0.250 -4.582 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.401 -0.920 -5.429 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.226 1.445 -5.456 1.00 0.00 C ATOM 0 H VAL A 88 8.213 2.050 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 88 5.921 0.996 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 88 8.780 -0.059 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.169 -1.178 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.207 -1.779 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.485 -0.642 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.983 1.155 -6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.332 1.787 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.613 2.251 -4.833 1.00 0.00 H new ATOM 1345 N HIS A 89 7.175 -0.812 -1.632 1.00 0.00 N ATOM 1346 CA HIS A 89 6.929 -1.955 -0.760 1.00 0.00 C ATOM 1347 C HIS A 89 5.646 -1.760 0.043 1.00 0.00 C ATOM 1348 O HIS A 89 4.896 -2.709 0.273 1.00 0.00 O ATOM 1349 CB HIS A 89 8.110 -2.165 0.188 1.00 0.00 C ATOM 1350 CG HIS A 89 8.128 -3.516 0.833 1.00 0.00 C ATOM 1351 ND1 HIS A 89 7.137 -3.957 1.684 1.00 0.00 N ATOM 1352 CD2 HIS A 89 9.024 -4.527 0.746 1.00 0.00 C ATOM 1353 CE1 HIS A 89 7.423 -5.179 2.095 1.00 0.00 C ATOM 1354 NE2 HIS A 89 8.563 -5.549 1.539 1.00 0.00 N ATOM 0 H HIS A 89 7.942 -0.210 -1.332 1.00 0.00 H new ATOM 0 HA HIS A 89 6.814 -2.839 -1.387 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.039 -2.023 -0.365 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.082 -1.401 0.965 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.932 -4.529 0.162 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.827 -5.774 2.770 1.00 0.00 H new ATOM 0 HE2 HIS A 89 9.026 -6.448 1.676 1.00 0.00 H new ATOM 1363 N ARG A 90 5.401 -0.524 0.466 1.00 0.00 N ATOM 1364 CA ARG A 90 4.210 -0.206 1.244 1.00 0.00 C ATOM 1365 C ARG A 90 2.964 -0.225 0.364 1.00 0.00 C ATOM 1366 O ARG A 90 1.960 -0.850 0.705 1.00 0.00 O ATOM 1367 CB ARG A 90 4.359 1.166 1.906 1.00 0.00 C ATOM 1368 CG ARG A 90 5.419 1.204 2.995 1.00 0.00 C ATOM 1369 CD ARG A 90 5.846 2.630 3.307 1.00 0.00 C ATOM 1370 NE ARG A 90 4.923 3.288 4.228 1.00 0.00 N ATOM 1371 CZ ARG A 90 4.997 3.173 5.549 1.00 0.00 C ATOM 1372 NH1 ARG A 90 5.945 2.429 6.101 1.00 0.00 N ATOM 1373 NH2 ARG A 90 4.120 3.803 6.321 1.00 0.00 N ATOM 0 H ARG A 90 6.011 0.273 0.283 1.00 0.00 H new ATOM 0 HA ARG A 90 4.099 -0.966 2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.608 1.903 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.400 1.460 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.031 0.733 3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.286 0.624 2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.846 2.622 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.904 3.202 2.381 1.00 0.00 H new ATOM 0 HE ARG A 90 4.181 3.867 3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.620 1.943 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.999 2.343 7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.389 4.376 5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.177 3.714 7.336 1.00 0.00 H new ATOM 1387 N VAL A 91 3.036 0.465 -0.770 1.00 0.00 N ATOM 1388 CA VAL A 91 1.915 0.528 -1.700 1.00 0.00 C ATOM 1389 C VAL A 91 1.496 -0.867 -2.149 1.00 0.00 C ATOM 1390 O VAL A 91 0.345 -1.270 -1.971 1.00 0.00 O ATOM 1391 CB VAL A 91 2.260 1.373 -2.940 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.138 1.302 -3.964 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.539 2.814 -2.541 1.00 0.00 C ATOM 0 H VAL A 91 3.860 0.988 -1.067 1.00 0.00 H new ATOM 0 HA VAL A 91 1.089 0.999 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 91 3.162 0.965 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.400 1.905 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.991 0.267 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.217 1.683 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.781 3.397 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.657 3.236 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.379 2.843 -1.848 1.00 0.00 H new ATOM 1403 N HIS A 92 2.437 -1.603 -2.733 1.00 0.00 N ATOM 1404 CA HIS A 92 2.166 -2.955 -3.208 1.00 0.00 C ATOM 1405 C HIS A 92 1.537 -3.802 -2.106 1.00 0.00 C ATOM 1406 O HIS A 92 0.747 -4.706 -2.378 1.00 0.00 O ATOM 1407 CB HIS A 92 3.455 -3.613 -3.701 1.00 0.00 C ATOM 1408 CG HIS A 92 3.227 -4.893 -4.444 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.020 -6.103 -3.815 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.173 -5.148 -5.773 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.851 -7.046 -4.724 1.00 0.00 C ATOM 1412 NE2 HIS A 92 2.938 -6.493 -5.920 1.00 0.00 N ATOM 0 H HIS A 92 3.394 -1.285 -2.888 1.00 0.00 H new ATOM 0 HA HIS A 92 1.461 -2.888 -4.037 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.984 -2.915 -4.350 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.103 -3.809 -2.847 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.292 -4.428 -6.569 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.672 -8.092 -4.523 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.846 -6.985 -6.809 1.00 0.00 H new ATOM 1421 N SER A 93 1.894 -3.504 -0.860 1.00 0.00 N ATOM 1422 CA SER A 93 1.368 -4.241 0.283 1.00 0.00 C ATOM 1423 C SER A 93 -0.121 -3.969 0.466 1.00 0.00 C ATOM 1424 O SER A 93 -0.943 -4.885 0.412 1.00 0.00 O ATOM 1425 CB SER A 93 2.128 -3.861 1.555 1.00 0.00 C ATOM 1426 OG SER A 93 1.605 -4.538 2.684 1.00 0.00 O ATOM 0 H SER A 93 2.545 -2.757 -0.617 1.00 0.00 H new ATOM 0 HA SER A 93 1.504 -5.305 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.184 -4.105 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.065 -2.784 1.712 1.00 0.00 H new ATOM 0 HG SER A 93 2.109 -4.279 3.483 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.463 -2.704 0.684 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.853 -2.309 0.878 1.00 0.00 C ATOM 1434 C TYR A 94 -2.753 -2.950 -0.174 1.00 0.00 C ATOM 1435 O TYR A 94 -3.884 -3.341 0.114 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.986 -0.787 0.821 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.339 -0.315 0.340 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.624 -0.226 -1.017 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.334 0.042 1.243 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.859 0.205 -1.461 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.572 0.473 0.808 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.830 0.554 -0.545 1.00 0.00 C ATOM 1443 OH TYR A 94 -7.061 0.983 -0.983 1.00 0.00 O ATOM 0 H TYR A 94 0.204 -1.934 0.731 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.169 -2.657 1.861 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.799 -0.377 1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.216 -0.388 0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.867 -0.499 -1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.135 -0.019 2.303 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.063 0.268 -2.520 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.334 0.745 1.523 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.629 1.188 -0.212 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.242 -3.053 -1.396 1.00 0.00 N ATOM 1454 CA LEU A 95 -2.997 -3.646 -2.494 1.00 0.00 C ATOM 1455 C LEU A 95 -3.164 -5.149 -2.291 1.00 0.00 C ATOM 1456 O LEU A 95 -4.278 -5.640 -2.113 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.297 -3.375 -3.827 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.358 -1.934 -4.336 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.334 -1.713 -5.438 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.758 -1.603 -4.832 1.00 0.00 C ATOM 0 H LEU A 95 -1.308 -2.733 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.986 -3.188 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.250 -3.661 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.736 -4.025 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.120 -1.266 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.392 -0.682 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.334 -1.909 -5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.540 -2.390 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.783 -0.574 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.025 -2.277 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.470 -1.720 -4.015 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.049 -5.872 -2.317 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.072 -7.318 -2.134 1.00 0.00 C ATOM 1474 C GLU A 96 -2.769 -7.690 -0.829 1.00 0.00 C ATOM 1475 O GLU A 96 -3.759 -8.422 -0.828 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.649 -7.879 -2.144 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.581 -9.373 -1.875 1.00 0.00 C ATOM 1478 CD GLU A 96 0.842 -9.895 -1.833 1.00 0.00 C ATOM 1479 OE1 GLU A 96 1.738 -9.142 -1.398 1.00 0.00 O ATOM 1480 OE2 GLU A 96 1.059 -11.057 -2.235 1.00 0.00 O ATOM 0 H GLU A 96 -1.119 -5.480 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.632 -7.754 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.193 -7.672 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.056 -7.356 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.072 -9.590 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.136 -9.903 -2.649 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.244 -7.181 0.281 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.814 -7.461 1.594 1.00 0.00 C ATOM 1489 C ARG A 97 -4.337 -7.369 1.556 1.00 0.00 C ATOM 1490 O ARG A 97 -5.035 -8.296 1.969 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.259 -6.484 2.632 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.788 -6.700 2.946 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.597 -7.732 4.046 1.00 0.00 C ATOM 1494 NE ARG A 97 0.766 -8.255 4.076 1.00 0.00 N ATOM 1495 CZ ARG A 97 1.183 -9.262 3.317 1.00 0.00 C ATOM 1496 NH1 ARG A 97 0.347 -9.851 2.472 1.00 0.00 N ATOM 1497 NH2 ARG A 97 2.439 -9.682 3.401 1.00 0.00 N ATOM 0 H ARG A 97 -1.425 -6.573 0.297 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.536 -8.477 1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.399 -5.465 2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.836 -6.578 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.267 -7.026 2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.338 -5.755 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.834 -7.282 5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.297 -8.554 3.897 1.00 0.00 H new ATOM 0 HE ARG A 97 1.434 -7.824 4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.619 -9.531 2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.670 -10.624 1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.085 -9.231 4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.758 -10.455 2.818 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.845 -6.246 1.059 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.285 -6.034 0.968 1.00 0.00 C ATOM 1513 C HIS A 98 -6.934 -7.085 0.072 1.00 0.00 C ATOM 1514 O HIS A 98 -8.030 -7.566 0.356 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.582 -4.634 0.429 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.286 -3.540 1.408 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -7.098 -2.437 1.572 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.262 -3.384 2.279 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.584 -1.650 2.500 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.470 -2.202 2.945 1.00 0.00 N ATOM 0 H HIS A 98 -4.281 -5.469 0.713 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.705 -6.127 1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.996 -4.470 -0.475 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.632 -4.579 0.142 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.435 -4.063 2.423 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.004 -0.714 2.838 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.863 -1.813 3.666 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.248 -7.437 -1.012 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.773 -8.428 -1.933 1.00 0.00 C ATOM 1531 C GLY A 99 -7.193 -7.823 -3.258 1.00 0.00 C ATOM 1532 O GLY A 99 -8.169 -8.262 -3.868 1.00 0.00 O ATOM 0 H GLY A 99 -5.338 -7.053 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.016 -9.192 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.629 -8.926 -1.477 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.457 -6.811 -3.704 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.759 -6.143 -4.965 1.00 0.00 C ATOM 1538 C LEU A 100 -5.835 -6.633 -6.076 1.00 0.00 C ATOM 1539 O LEU A 100 -6.064 -6.358 -7.254 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.625 -4.627 -4.807 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.146 -4.041 -3.494 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.321 -2.535 -3.614 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.458 -4.703 -3.098 1.00 0.00 C ATOM 0 H LEU A 100 -5.647 -6.435 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.786 -6.385 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.572 -4.363 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.154 -4.148 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.412 -4.239 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.692 -2.136 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.362 -2.075 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.035 -2.314 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.814 -4.274 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.200 -4.536 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.301 -5.774 -2.970 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.792 -7.362 -5.692 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.836 -7.893 -6.656 1.00 0.00 C ATOM 1557 C ILE A 101 -3.320 -9.260 -6.222 1.00 0.00 C ATOM 1558 O ILE A 101 -3.141 -9.518 -5.032 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.640 -6.941 -6.845 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.909 -6.735 -5.517 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -3.107 -5.609 -7.411 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.475 -6.283 -5.679 1.00 0.00 C ATOM 0 H ILE A 101 -4.588 -7.598 -4.721 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.365 -7.991 -7.604 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.945 -7.391 -7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.449 -5.996 -4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.926 -7.668 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.250 -4.947 -7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.587 -5.772 -8.376 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.819 -5.152 -6.724 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.020 -6.157 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.081 -7.032 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.451 -5.334 -6.214 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.081 -10.133 -7.195 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.583 -11.475 -6.914 1.00 0.00 C ATOM 1576 C ASN A 102 -3.609 -12.280 -6.123 1.00 0.00 C ATOM 1577 O ASN A 102 -3.309 -12.805 -5.051 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.267 -11.401 -6.137 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.226 -10.555 -6.843 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.546 -9.780 -7.745 1.00 0.00 O ATOM 1581 ND2 ASN A 102 1.030 -10.700 -6.435 1.00 0.00 N ATOM 0 H ASN A 102 -3.224 -9.935 -8.185 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.407 -11.978 -7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.456 -10.988 -5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.876 -12.408 -5.993 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.774 -10.157 -6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.250 -11.354 -5.684 1.00 0.00 H new ATOM 1588 N PHE A 103 -4.821 -12.374 -6.661 1.00 0.00 N ATOM 1589 CA PHE A 103 -5.892 -13.116 -6.005 1.00 0.00 C ATOM 1590 C PHE A 103 -6.457 -14.188 -6.932 1.00 0.00 C ATOM 1591 O PHE A 103 -7.657 -14.462 -6.924 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.008 -12.164 -5.569 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.383 -11.158 -6.620 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -7.749 -11.569 -7.892 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.369 -9.802 -6.336 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.095 -10.646 -8.861 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.714 -8.875 -7.302 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.076 -9.297 -8.566 1.00 0.00 C ATOM 0 H PHE A 103 -5.086 -11.946 -7.548 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.475 -13.604 -5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -7.890 -12.748 -5.305 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.694 -11.637 -4.668 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.764 -12.623 -8.129 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.086 -9.466 -5.350 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.380 -10.979 -9.848 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.700 -7.821 -7.068 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.344 -8.574 -9.322 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.583 -14.792 -7.732 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.013 -15.826 -8.654 1.00 0.00 C ATOM 1610 C GLY A 104 -4.857 -16.663 -9.166 1.00 0.00 C ATOM 1611 O GLY A 104 -4.888 -17.891 -9.087 1.00 0.00 O ATOM 0 H GLY A 104 -4.585 -14.583 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.735 -16.474 -8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.526 -15.365 -9.498 1.00 0.00 H new ATOM 1615 N ILE A 105 -3.835 -15.997 -9.695 1.00 0.00 N ATOM 1616 CA ILE A 105 -2.665 -16.688 -10.222 1.00 0.00 C ATOM 1617 C ILE A 105 -2.281 -17.871 -9.340 1.00 0.00 C ATOM 1618 O ILE A 105 -1.821 -18.902 -9.832 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.458 -15.739 -10.343 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.027 -15.248 -8.960 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -1.798 -14.563 -11.247 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.054 -14.367 -8.284 1.00 0.00 C ATOM 0 H ILE A 105 -3.794 -14.981 -9.770 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.933 -17.050 -11.214 1.00 0.00 H new ATOM 0 HB ILE A 105 -0.627 -16.286 -10.788 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.825 -16.110 -8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.092 -14.695 -9.055 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.935 -13.901 -11.323 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.062 -14.931 -12.239 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.641 -14.014 -10.828 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.681 -14.056 -7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.239 -13.486 -8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.983 -14.923 -8.157 1.00 0.00 H new ATOM 1634 N TYR A 106 -2.473 -17.715 -8.035 1.00 0.00 N ATOM 1635 CA TYR A 106 -2.146 -18.770 -7.083 1.00 0.00 C ATOM 1636 C TYR A 106 -3.216 -18.878 -6.000 1.00 0.00 C ATOM 1637 O TYR A 106 -3.927 -17.914 -5.715 1.00 0.00 O ATOM 1638 CB TYR A 106 -0.782 -18.504 -6.443 1.00 0.00 C ATOM 1639 CG TYR A 106 -0.738 -17.239 -5.616 1.00 0.00 C ATOM 1640 CD1 TYR A 106 -1.460 -17.134 -4.434 1.00 0.00 C ATOM 1641 CD2 TYR A 106 0.026 -16.150 -6.017 1.00 0.00 C ATOM 1642 CE1 TYR A 106 -1.424 -15.980 -3.675 1.00 0.00 C ATOM 1643 CE2 TYR A 106 0.070 -14.993 -5.263 1.00 0.00 C ATOM 1644 CZ TYR A 106 -0.657 -14.912 -4.094 1.00 0.00 C ATOM 1645 OH TYR A 106 -0.617 -13.761 -3.341 1.00 0.00 O ATOM 0 H TYR A 106 -2.853 -16.868 -7.612 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.107 -19.714 -7.626 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -0.515 -19.351 -5.811 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.028 -18.442 -7.227 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.060 -17.969 -4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.595 -16.209 -6.933 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.993 -15.914 -2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.671 -14.156 -5.588 1.00 0.00 H new ATOM 0 HH TYR A 106 -0.030 -13.107 -3.775 1.00 0.00 H new ATOM 1655 N LYS A 107 -3.323 -20.058 -5.400 1.00 0.00 N ATOM 1656 CA LYS A 107 -4.303 -20.295 -4.347 1.00 0.00 C ATOM 1657 C LYS A 107 -3.640 -20.282 -2.973 1.00 0.00 C ATOM 1658 O LYS A 107 -3.018 -21.263 -2.565 1.00 0.00 O ATOM 1659 CB LYS A 107 -5.010 -21.633 -4.571 1.00 0.00 C ATOM 1660 CG LYS A 107 -6.227 -21.535 -5.475 1.00 0.00 C ATOM 1661 CD LYS A 107 -6.886 -22.889 -5.672 1.00 0.00 C ATOM 1662 CE LYS A 107 -6.089 -23.763 -6.628 1.00 0.00 C ATOM 1663 NZ LYS A 107 -6.695 -25.116 -6.779 1.00 0.00 N ATOM 0 H LYS A 107 -2.743 -20.866 -5.625 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.039 -19.492 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.302 -22.340 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.316 -22.038 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.946 -20.839 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.931 -21.129 -6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.980 -23.392 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.895 -22.751 -6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.034 -23.279 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.067 -23.862 -6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.123 -25.681 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.724 -25.589 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.662 -25.024 -7.151 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.778 -19.166 -2.264 1.00 0.00 N ATOM 1678 CA ARG A 108 -3.193 -19.027 -0.937 1.00 0.00 C ATOM 1679 C ARG A 108 -4.279 -18.957 0.132 1.00 0.00 C ATOM 1680 O ARG A 108 -4.343 -19.804 1.024 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.316 -17.775 -0.871 1.00 0.00 C ATOM 1682 CG ARG A 108 -1.840 -17.438 0.532 1.00 0.00 C ATOM 1683 CD ARG A 108 -0.492 -16.733 0.508 1.00 0.00 C ATOM 1684 NE ARG A 108 0.063 -16.569 1.849 1.00 0.00 N ATOM 1685 CZ ARG A 108 -0.243 -15.556 2.652 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -1.095 -14.622 2.251 1.00 0.00 N ATOM 1687 NH2 ARG A 108 0.304 -15.475 3.858 1.00 0.00 N ATOM 0 H ARG A 108 -4.290 -18.345 -2.587 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.576 -19.905 -0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.449 -17.915 -1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -2.876 -16.928 -1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.576 -16.802 1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.764 -18.352 1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 108 0.205 -17.304 -0.106 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -0.602 -15.755 0.039 1.00 0.00 H new ATOM 0 HE ARG A 108 0.722 -17.271 2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.517 -14.681 1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.328 -13.845 2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.960 -16.191 4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.068 -14.697 4.474 1.00 0.00 H new ATOM 1701 N ILE A 109 -5.131 -17.941 0.036 1.00 0.00 N ATOM 1702 CA ILE A 109 -6.215 -17.761 0.994 1.00 0.00 C ATOM 1703 C ILE A 109 -7.022 -19.044 1.160 1.00 0.00 C ATOM 1704 O ILE A 109 -7.655 -19.519 0.217 1.00 0.00 O ATOM 1705 CB ILE A 109 -7.162 -16.625 0.566 1.00 0.00 C ATOM 1706 CG1 ILE A 109 -6.369 -15.342 0.304 1.00 0.00 C ATOM 1707 CG2 ILE A 109 -8.223 -16.389 1.630 1.00 0.00 C ATOM 1708 CD1 ILE A 109 -5.406 -14.990 1.415 1.00 0.00 C ATOM 0 H ILE A 109 -5.091 -17.231 -0.695 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.753 -17.499 1.946 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.661 -16.918 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -5.813 -15.452 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.066 -14.516 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.884 -15.583 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.804 -17.300 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.742 -16.115 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -4.879 -14.070 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -5.958 -14.848 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.686 -15.798 1.542 1.00 0.00 H new ATOM 1720 N LYS A 110 -6.996 -19.601 2.366 1.00 0.00 N ATOM 1721 CA LYS A 110 -7.727 -20.829 2.658 1.00 0.00 C ATOM 1722 C LYS A 110 -9.033 -20.885 1.871 1.00 0.00 C ATOM 1723 O LYS A 110 -9.733 -19.885 1.713 1.00 0.00 O ATOM 1724 CB LYS A 110 -8.018 -20.929 4.157 1.00 0.00 C ATOM 1725 CG LYS A 110 -8.762 -22.194 4.549 1.00 0.00 C ATOM 1726 CD LYS A 110 -9.300 -22.107 5.968 1.00 0.00 C ATOM 1727 CE LYS A 110 -10.519 -21.200 6.046 1.00 0.00 C ATOM 1728 NZ LYS A 110 -11.760 -21.901 5.614 1.00 0.00 N ATOM 0 H LYS A 110 -6.476 -19.222 3.157 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.106 -21.673 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.077 -20.887 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.605 -20.063 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.586 -22.362 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.094 -23.051 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.564 -23.104 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.521 -21.730 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -10.641 -20.843 7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.360 -20.323 5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.589 -21.328 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.739 -22.040 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.819 -22.825 6.087 1.00 0.00 H new ATOM 1742 N PRO A 111 -9.370 -22.081 1.368 1.00 0.00 N ATOM 1743 CA PRO A 111 -10.595 -22.296 0.591 1.00 0.00 C ATOM 1744 C PRO A 111 -11.851 -22.194 1.449 1.00 0.00 C ATOM 1745 O PRO A 111 -11.831 -22.516 2.638 1.00 0.00 O ATOM 1746 CB PRO A 111 -10.428 -23.720 0.054 1.00 0.00 C ATOM 1747 CG PRO A 111 -9.516 -24.387 1.025 1.00 0.00 C ATOM 1748 CD PRO A 111 -8.582 -23.316 1.518 1.00 0.00 C ATOM 0 HA PRO A 111 -10.722 -21.544 -0.188 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.387 -24.235 -0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.004 -23.717 -0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -10.077 -24.825 1.850 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.964 -25.197 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -8.290 -23.483 2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.665 -23.281 0.930 1.00 0.00 H new ATOM 1756 N LEU A 112 -12.942 -21.744 0.840 1.00 0.00 N ATOM 1757 CA LEU A 112 -14.209 -21.600 1.549 1.00 0.00 C ATOM 1758 C LEU A 112 -15.303 -22.428 0.883 1.00 0.00 C ATOM 1759 O LEU A 112 -15.247 -22.733 -0.309 1.00 0.00 O ATOM 1760 CB LEU A 112 -14.625 -20.128 1.595 1.00 0.00 C ATOM 1761 CG LEU A 112 -13.811 -19.230 2.526 1.00 0.00 C ATOM 1762 CD1 LEU A 112 -14.205 -17.773 2.342 1.00 0.00 C ATOM 1763 CD2 LEU A 112 -13.996 -19.655 3.976 1.00 0.00 C ATOM 0 H LEU A 112 -12.975 -21.473 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.071 -21.965 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.563 -19.722 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.671 -20.076 1.896 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.757 -19.336 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -13.615 -17.149 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -14.019 -17.473 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.264 -17.651 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -13.409 -19.004 4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -15.050 -19.580 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.662 -20.685 4.099 1.00 0.00 H new ATOM 1775 N PRO A 113 -16.324 -22.802 1.669 1.00 0.00 N ATOM 1776 CA PRO A 113 -17.452 -23.598 1.176 1.00 0.00 C ATOM 1777 C PRO A 113 -18.345 -22.811 0.224 1.00 0.00 C ATOM 1778 O PRO A 113 -19.139 -21.971 0.650 1.00 0.00 O ATOM 1779 CB PRO A 113 -18.217 -23.957 2.453 1.00 0.00 C ATOM 1780 CG PRO A 113 -17.869 -22.877 3.419 1.00 0.00 C ATOM 1781 CD PRO A 113 -16.456 -22.475 3.099 1.00 0.00 C ATOM 0 HA PRO A 113 -17.120 -24.464 0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -19.291 -23.996 2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.921 -24.936 2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -18.548 -22.030 3.319 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -17.951 -23.231 4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -16.288 -21.414 3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.735 -23.024 3.705 1.00 0.00 H new ATOM 1789 N THR A 114 -18.212 -23.087 -1.070 1.00 0.00 N ATOM 1790 CA THR A 114 -19.006 -22.404 -2.083 1.00 0.00 C ATOM 1791 C THR A 114 -19.638 -23.400 -3.049 1.00 0.00 C ATOM 1792 O THR A 114 -19.172 -24.531 -3.185 1.00 0.00 O ATOM 1793 CB THR A 114 -18.154 -21.401 -2.883 1.00 0.00 C ATOM 1794 OG1 THR A 114 -18.957 -20.763 -3.882 1.00 0.00 O ATOM 1795 CG2 THR A 114 -16.973 -22.098 -3.542 1.00 0.00 C ATOM 0 H THR A 114 -17.561 -23.779 -1.441 1.00 0.00 H new ATOM 0 HA THR A 114 -19.792 -21.863 -1.557 1.00 0.00 H new ATOM 0 HB THR A 114 -17.772 -20.650 -2.191 1.00 0.00 H new ATOM 0 HG1 THR A 114 -18.408 -20.126 -4.385 1.00 0.00 H new ATOM 0 HG21 THR A 114 -16.386 -21.369 -4.101 1.00 0.00 H new ATOM 0 HG22 THR A 114 -16.348 -22.557 -2.776 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.338 -22.868 -4.222 1.00 0.00 H new ATOM 1803 N LYS A 115 -20.702 -22.972 -3.720 1.00 0.00 N ATOM 1804 CA LYS A 115 -21.398 -23.825 -4.677 1.00 0.00 C ATOM 1805 C LYS A 115 -20.419 -24.744 -5.399 1.00 0.00 C ATOM 1806 O LYS A 115 -19.673 -24.308 -6.276 1.00 0.00 O ATOM 1807 CB LYS A 115 -22.157 -22.971 -5.694 1.00 0.00 C ATOM 1808 CG LYS A 115 -23.493 -22.458 -5.183 1.00 0.00 C ATOM 1809 CD LYS A 115 -24.522 -23.573 -5.096 1.00 0.00 C ATOM 1810 CE LYS A 115 -25.081 -23.922 -6.466 1.00 0.00 C ATOM 1811 NZ LYS A 115 -24.259 -24.955 -7.154 1.00 0.00 N ATOM 0 H LYS A 115 -21.102 -22.039 -3.619 1.00 0.00 H new ATOM 0 HA LYS A 115 -22.109 -24.441 -4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -21.536 -22.121 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -22.324 -23.559 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -23.359 -22.008 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -23.860 -21.674 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -24.065 -24.457 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -25.335 -23.269 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -26.104 -24.284 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -25.123 -23.023 -7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -23.840 -24.549 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -23.501 -25.276 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -24.861 -25.763 -7.411 1.00 0.00 H new ATOM 1825 N LYS A 116 -20.426 -26.019 -5.025 1.00 0.00 N ATOM 1826 CA LYS A 116 -19.541 -27.002 -5.639 1.00 0.00 C ATOM 1827 C LYS A 116 -19.688 -26.994 -7.157 1.00 0.00 C ATOM 1828 O LYS A 116 -20.681 -26.500 -7.693 1.00 0.00 O ATOM 1829 CB LYS A 116 -19.842 -28.400 -5.095 1.00 0.00 C ATOM 1830 CG LYS A 116 -21.237 -28.898 -5.435 1.00 0.00 C ATOM 1831 CD LYS A 116 -21.586 -30.155 -4.655 1.00 0.00 C ATOM 1832 CE LYS A 116 -21.128 -31.408 -5.384 1.00 0.00 C ATOM 1833 NZ LYS A 116 -21.663 -32.645 -4.751 1.00 0.00 N ATOM 0 H LYS A 116 -21.035 -26.396 -4.299 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.514 -26.735 -5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -19.108 -29.101 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -19.722 -28.393 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -21.966 -28.118 -5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -21.301 -29.102 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -21.120 -30.115 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -22.663 -30.199 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -21.453 -31.362 -6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -20.039 -31.446 -5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.328 -33.477 -5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.333 -32.702 -3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -22.703 -32.621 -4.766 1.00 0.00 H new ATOM 1847 N THR A 117 -18.693 -27.544 -7.847 1.00 0.00 N ATOM 1848 CA THR A 117 -18.712 -27.600 -9.303 1.00 0.00 C ATOM 1849 C THR A 117 -18.615 -26.205 -9.908 1.00 0.00 C ATOM 1850 O THR A 117 -19.362 -25.860 -10.822 1.00 0.00 O ATOM 1851 CB THR A 117 -19.991 -28.284 -9.822 1.00 0.00 C ATOM 1852 OG1 THR A 117 -20.334 -29.388 -8.977 1.00 0.00 O ATOM 1853 CG2 THR A 117 -19.801 -28.773 -11.250 1.00 0.00 C ATOM 0 H THR A 117 -17.864 -27.957 -7.420 1.00 0.00 H new ATOM 0 HA THR A 117 -17.845 -28.187 -9.608 1.00 0.00 H new ATOM 0 HB THR A 117 -20.799 -27.552 -9.809 1.00 0.00 H new ATOM 0 HG1 THR A 117 -21.149 -29.816 -9.313 1.00 0.00 H new ATOM 0 HG21 THR A 117 -20.717 -29.253 -11.595 1.00 0.00 H new ATOM 0 HG22 THR A 117 -19.568 -27.927 -11.896 1.00 0.00 H new ATOM 0 HG23 THR A 117 -18.981 -29.491 -11.283 1.00 0.00 H new ATOM 1861 N GLY A 118 -17.686 -25.404 -9.392 1.00 0.00 N ATOM 1862 CA GLY A 118 -17.508 -24.055 -9.895 1.00 0.00 C ATOM 1863 C GLY A 118 -16.048 -23.696 -10.088 1.00 0.00 C ATOM 1864 O GLY A 118 -15.188 -24.575 -10.145 1.00 0.00 O ATOM 0 H GLY A 118 -17.054 -25.666 -8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -18.033 -23.953 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -17.964 -23.349 -9.201 1.00 0.00 H new ATOM 1868 N SER A 119 -15.766 -22.401 -10.190 1.00 0.00 N ATOM 1869 CA SER A 119 -14.400 -21.929 -10.383 1.00 0.00 C ATOM 1870 C SER A 119 -13.765 -21.546 -9.050 1.00 0.00 C ATOM 1871 O SER A 119 -13.810 -20.388 -8.637 1.00 0.00 O ATOM 1872 CB SER A 119 -14.383 -20.729 -11.332 1.00 0.00 C ATOM 1873 OG SER A 119 -14.255 -21.148 -12.680 1.00 0.00 O ATOM 0 H SER A 119 -16.465 -21.660 -10.142 1.00 0.00 H new ATOM 0 HA SER A 119 -13.819 -22.740 -10.823 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.301 -20.153 -11.212 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.556 -20.068 -11.073 1.00 0.00 H new ATOM 0 HG SER A 119 -14.248 -20.363 -13.267 1.00 0.00 H new ATOM 1879 N GLY A 120 -13.172 -22.530 -8.379 1.00 0.00 N ATOM 1880 CA GLY A 120 -12.535 -22.277 -7.100 1.00 0.00 C ATOM 1881 C GLY A 120 -11.412 -23.252 -6.809 1.00 0.00 C ATOM 1882 O GLY A 120 -10.467 -23.393 -7.586 1.00 0.00 O ATOM 0 H GLY A 120 -13.122 -23.497 -8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.142 -21.261 -7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.281 -22.339 -6.307 1.00 0.00 H new ATOM 1886 N PRO A 121 -11.505 -23.945 -5.665 1.00 0.00 N ATOM 1887 CA PRO A 121 -10.497 -24.923 -5.246 1.00 0.00 C ATOM 1888 C PRO A 121 -10.505 -26.174 -6.118 1.00 0.00 C ATOM 1889 O PRO A 121 -11.251 -26.257 -7.094 1.00 0.00 O ATOM 1890 CB PRO A 121 -10.910 -25.268 -3.813 1.00 0.00 C ATOM 1891 CG PRO A 121 -12.372 -24.988 -3.763 1.00 0.00 C ATOM 1892 CD PRO A 121 -12.604 -23.828 -4.691 1.00 0.00 C ATOM 0 HA PRO A 121 -9.485 -24.525 -5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.699 -26.312 -3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.366 -24.663 -3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -12.947 -25.859 -4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -12.688 -24.745 -2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -13.578 -23.890 -5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -12.571 -22.876 -4.161 1.00 0.00 H new ATOM 1900 N SER A 122 -9.670 -27.144 -5.761 1.00 0.00 N ATOM 1901 CA SER A 122 -9.579 -28.390 -6.513 1.00 0.00 C ATOM 1902 C SER A 122 -9.706 -29.595 -5.587 1.00 0.00 C ATOM 1903 O SER A 122 -9.746 -29.451 -4.365 1.00 0.00 O ATOM 1904 CB SER A 122 -8.254 -28.455 -7.275 1.00 0.00 C ATOM 1905 OG SER A 122 -7.152 -28.322 -6.393 1.00 0.00 O ATOM 0 H SER A 122 -9.047 -27.091 -4.955 1.00 0.00 H new ATOM 0 HA SER A 122 -10.402 -28.415 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.184 -29.403 -7.809 1.00 0.00 H new ATOM 0 HB3 SER A 122 -8.222 -27.664 -8.024 1.00 0.00 H new ATOM 0 HG SER A 122 -6.317 -28.368 -6.904 1.00 0.00 H new ATOM 1911 N SER A 123 -9.769 -30.784 -6.178 1.00 0.00 N ATOM 1912 CA SER A 123 -9.895 -32.015 -5.406 1.00 0.00 C ATOM 1913 C SER A 123 -8.531 -32.490 -4.913 1.00 0.00 C ATOM 1914 O SER A 123 -8.223 -33.680 -4.955 1.00 0.00 O ATOM 1915 CB SER A 123 -10.552 -33.107 -6.253 1.00 0.00 C ATOM 1916 OG SER A 123 -11.809 -32.681 -6.749 1.00 0.00 O ATOM 0 H SER A 123 -9.735 -30.921 -7.188 1.00 0.00 H new ATOM 0 HA SER A 123 -10.523 -31.809 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A 123 -9.899 -33.368 -7.085 1.00 0.00 H new ATOM 0 HB3 SER A 123 -10.681 -34.008 -5.654 1.00 0.00 H new ATOM 0 HG SER A 123 -12.207 -33.396 -7.288 1.00 0.00 H new ATOM 1922 N GLY A 124 -7.718 -31.548 -4.445 1.00 0.00 N ATOM 1923 CA GLY A 124 -6.397 -31.887 -3.950 1.00 0.00 C ATOM 1924 C GLY A 124 -6.447 -32.674 -2.655 1.00 0.00 C ATOM 1925 O GLY A 124 -6.010 -32.190 -1.611 1.00 0.00 O ATOM 0 H GLY A 124 -7.951 -30.556 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -5.868 -32.469 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -5.825 -30.972 -3.794 1.00 0.00 H new TER 1929 GLY A 124