USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 607 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 Single : A 1 ALA N :NH3+ 174:sc= -0.112 (180deg=-0.193) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 7 ASN : amide:sc= -0.982 K(o=-0.98,f=-4!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -3.98! C(o=-4!,f=-5!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -140:sc= -2.84! USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 25 GLN : amide:sc= -0.0214 K(o=-0.021,f=-1) USER MOD Single : A 26 MET CE :methyl -150:sc= -0.581 (180deg=-2.1!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 82:sc= 1.08 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.018) USER MOD Single : A 60 GLN : amide:sc= -0.083 K(o=-0.083,f=-0.9) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.052) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.38) USER MOD Single : A 75 HIS : no HD1:sc=-0.00954 X(o=-0.0095,f=-0.0036) USER MOD Single : A 76 HIS : no HD1:sc= -0.0765 K(o=-0.076,f=-0.96) USER MOD Single : A 77 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.215 -53.847 6.122 1.00 0.00 N ATOM 2 CA ALA A 1 -1.114 -54.295 6.614 1.00 0.00 C ATOM 3 C ALA A 1 -1.723 -53.278 7.577 1.00 0.00 C ATOM 4 O ALA A 1 -2.650 -53.598 8.322 1.00 0.00 O ATOM 5 CB ALA A 1 -0.991 -55.649 7.297 1.00 0.00 C ATOM 0 H1 ALA A 1 0.647 -54.602 5.552 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.099 -52.995 5.537 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.830 -53.630 6.932 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.777 -54.384 5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.971 -55.967 7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.608 -56.381 6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.306 -55.570 8.141 1.00 0.00 H new ATOM 13 N ASP A 2 -1.200 -52.057 7.565 1.00 0.00 N ATOM 14 CA ASP A 2 -1.701 -51.008 8.445 1.00 0.00 C ATOM 15 C ASP A 2 -3.150 -50.660 8.111 1.00 0.00 C ATOM 16 O ASP A 2 -3.414 -49.838 7.236 1.00 0.00 O ATOM 17 CB ASP A 2 -0.822 -49.760 8.335 1.00 0.00 C ATOM 18 CG ASP A 2 -0.411 -49.220 9.692 1.00 0.00 C ATOM 19 OD1 ASP A 2 0.328 -49.923 10.411 1.00 0.00 O ATOM 20 OD2 ASP A 2 -0.831 -48.095 10.034 1.00 0.00 O ATOM 0 H ASP A 2 -0.432 -51.770 6.958 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.666 -51.379 9.469 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.071 -49.998 7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.361 -48.987 7.787 1.00 0.00 H new ATOM 25 N LYS A 3 -4.088 -51.289 8.818 1.00 0.00 N ATOM 26 CA LYS A 3 -5.508 -51.034 8.594 1.00 0.00 C ATOM 27 C LYS A 3 -5.833 -49.562 8.828 1.00 0.00 C ATOM 28 O LYS A 3 -5.664 -49.049 9.934 1.00 0.00 O ATOM 29 CB LYS A 3 -6.364 -51.911 9.509 1.00 0.00 C ATOM 30 CG LYS A 3 -6.081 -51.705 10.990 1.00 0.00 C ATOM 31 CD LYS A 3 -7.364 -51.573 11.797 1.00 0.00 C ATOM 32 CE LYS A 3 -7.436 -52.622 12.893 1.00 0.00 C ATOM 33 NZ LYS A 3 -7.043 -52.069 14.219 1.00 0.00 N ATOM 0 H LYS A 3 -3.891 -51.975 9.547 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.737 -51.282 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.417 -51.703 9.317 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.194 -52.958 9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.498 -52.544 11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.474 -50.809 11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.418 -50.578 12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.224 -51.675 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.450 -53.017 12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.782 -53.457 12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.106 -52.817 14.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.066 -51.715 14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.682 -51.289 14.473 1.00 0.00 H new ATOM 47 N THR A 4 -6.291 -48.885 7.782 1.00 0.00 N ATOM 48 CA THR A 4 -6.628 -47.469 7.882 1.00 0.00 C ATOM 49 C THR A 4 -5.430 -46.667 8.383 1.00 0.00 C ATOM 50 O THR A 4 -5.586 -45.704 9.134 1.00 0.00 O ATOM 51 CB THR A 4 -7.826 -47.273 8.816 1.00 0.00 C ATOM 52 OG1 THR A 4 -8.664 -48.416 8.802 1.00 0.00 O ATOM 53 CG2 THR A 4 -8.678 -46.075 8.456 1.00 0.00 C ATOM 0 H THR A 4 -6.437 -49.291 6.858 1.00 0.00 H new ATOM 0 HA THR A 4 -6.895 -47.107 6.889 1.00 0.00 H new ATOM 0 HB THR A 4 -7.397 -47.108 9.804 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.423 -48.273 9.406 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.508 -45.995 9.158 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.073 -45.170 8.506 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.067 -46.196 7.445 1.00 0.00 H new ATOM 61 N ILE A 5 -4.234 -47.082 7.957 1.00 0.00 N ATOM 62 CA ILE A 5 -2.978 -46.427 8.344 1.00 0.00 C ATOM 63 C ILE A 5 -3.017 -45.912 9.785 1.00 0.00 C ATOM 64 O ILE A 5 -2.434 -44.878 10.106 1.00 0.00 O ATOM 65 CB ILE A 5 -2.628 -45.265 7.384 1.00 0.00 C ATOM 66 CG1 ILE A 5 -1.200 -44.757 7.634 1.00 0.00 C ATOM 67 CG2 ILE A 5 -3.631 -44.128 7.527 1.00 0.00 C ATOM 68 CD1 ILE A 5 -0.127 -45.803 7.412 1.00 0.00 C ATOM 0 H ILE A 5 -4.107 -47.880 7.335 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.201 -47.188 8.276 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.680 -45.645 6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.007 -43.908 6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.130 -44.391 8.658 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.367 -43.321 6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.630 -44.492 7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.615 -43.755 8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.852 -45.367 7.609 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.292 -46.643 8.087 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.168 -46.153 6.381 1.00 0.00 H new ATOM 80 N PHE A 6 -3.708 -46.649 10.650 1.00 0.00 N ATOM 81 CA PHE A 6 -3.826 -46.284 12.060 1.00 0.00 C ATOM 82 C PHE A 6 -4.231 -44.819 12.240 1.00 0.00 C ATOM 83 O PHE A 6 -3.974 -44.224 13.287 1.00 0.00 O ATOM 84 CB PHE A 6 -2.503 -46.544 12.784 1.00 0.00 C ATOM 85 CG PHE A 6 -2.541 -47.717 13.726 1.00 0.00 C ATOM 86 CD1 PHE A 6 -2.966 -48.964 13.294 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.145 -47.568 15.045 1.00 0.00 C ATOM 88 CE1 PHE A 6 -2.995 -50.040 14.163 1.00 0.00 C ATOM 89 CE2 PHE A 6 -2.170 -48.639 15.917 1.00 0.00 C ATOM 90 CZ PHE A 6 -2.595 -49.877 15.476 1.00 0.00 C ATOM 0 H PHE A 6 -4.198 -47.508 10.398 1.00 0.00 H new ATOM 0 HA PHE A 6 -4.611 -46.904 12.492 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.722 -46.712 12.043 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.225 -45.651 13.343 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.278 -49.097 12.268 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.813 -46.602 15.396 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.330 -51.006 13.816 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.858 -48.508 16.943 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.615 -50.716 16.156 1.00 0.00 H new ATOM 100 N ASN A 7 -4.862 -44.241 11.223 1.00 0.00 N ATOM 101 CA ASN A 7 -5.294 -42.849 11.288 1.00 0.00 C ATOM 102 C ASN A 7 -6.522 -42.698 12.180 1.00 0.00 C ATOM 103 O ASN A 7 -6.603 -41.773 12.987 1.00 0.00 O ATOM 104 CB ASN A 7 -5.598 -42.322 9.886 1.00 0.00 C ATOM 105 CG ASN A 7 -4.602 -41.269 9.440 1.00 0.00 C ATOM 106 OD1 ASN A 7 -3.451 -41.576 9.135 1.00 0.00 O ATOM 107 ND2 ASN A 7 -5.040 -40.019 9.403 1.00 0.00 N ATOM 0 H ASN A 7 -5.085 -44.713 10.347 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.482 -42.264 11.720 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.589 -43.151 9.178 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.603 -41.900 9.869 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.414 -39.268 9.113 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.003 -39.808 9.664 1.00 0.00 H new ATOM 114 N ASP A 8 -7.476 -43.613 12.020 1.00 0.00 N ATOM 115 CA ASP A 8 -8.708 -43.595 12.805 1.00 0.00 C ATOM 116 C ASP A 8 -9.630 -42.466 12.362 1.00 0.00 C ATOM 117 O ASP A 8 -9.499 -41.332 12.821 1.00 0.00 O ATOM 118 CB ASP A 8 -8.403 -43.464 14.299 1.00 0.00 C ATOM 119 CG ASP A 8 -7.697 -44.686 14.849 1.00 0.00 C ATOM 120 OD1 ASP A 8 -6.766 -45.186 14.181 1.00 0.00 O ATOM 121 OD2 ASP A 8 -8.074 -45.146 15.948 1.00 0.00 O ATOM 0 H ASP A 8 -7.418 -44.380 11.350 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.217 -44.543 12.633 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.783 -42.583 14.465 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.333 -43.307 14.845 1.00 0.00 H new ATOM 126 N HIS A 9 -10.563 -42.794 11.466 1.00 0.00 N ATOM 127 CA HIS A 9 -11.537 -41.834 10.938 1.00 0.00 C ATOM 128 C HIS A 9 -10.958 -41.024 9.778 1.00 0.00 C ATOM 129 O HIS A 9 -11.688 -40.617 8.874 1.00 0.00 O ATOM 130 CB HIS A 9 -12.065 -40.896 12.035 1.00 0.00 C ATOM 131 CG HIS A 9 -13.417 -41.282 12.546 1.00 0.00 C ATOM 132 ND1 HIS A 9 -14.586 -40.739 12.061 1.00 0.00 N ATOM 133 CD2 HIS A 9 -13.782 -42.162 13.508 1.00 0.00 C ATOM 134 CE1 HIS A 9 -15.613 -41.266 12.702 1.00 0.00 C ATOM 135 NE2 HIS A 9 -15.152 -42.134 13.584 1.00 0.00 N ATOM 0 H HIS A 9 -10.665 -43.735 11.085 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.377 -42.417 10.560 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.360 -40.887 12.866 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.109 -39.880 11.644 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.119 -42.772 14.104 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -16.653 -41.028 12.534 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -15.722 -42.693 14.219 1.00 0.00 H new ATOM 144 N LEU A 10 -9.649 -40.790 9.804 1.00 0.00 N ATOM 145 CA LEU A 10 -8.991 -40.024 8.750 1.00 0.00 C ATOM 146 C LEU A 10 -9.570 -38.612 8.680 1.00 0.00 C ATOM 147 O LEU A 10 -10.687 -38.418 8.203 1.00 0.00 O ATOM 148 CB LEU A 10 -9.158 -40.729 7.398 1.00 0.00 C ATOM 149 CG LEU A 10 -7.850 -41.122 6.705 1.00 0.00 C ATOM 150 CD1 LEU A 10 -8.124 -42.008 5.497 1.00 0.00 C ATOM 151 CD2 LEU A 10 -7.072 -39.880 6.294 1.00 0.00 C ATOM 0 H LEU A 10 -9.025 -41.119 10.541 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.928 -39.956 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.757 -41.628 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.722 -40.076 6.732 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.245 -41.690 7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.181 -42.275 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.637 -42.914 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.751 -41.470 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.145 -40.177 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.673 -39.285 5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.840 -39.287 7.178 1.00 0.00 H new ATOM 163 N ASN A 11 -8.814 -37.629 9.163 1.00 0.00 N ATOM 164 CA ASN A 11 -9.277 -36.246 9.150 1.00 0.00 C ATOM 165 C ASN A 11 -8.538 -35.418 8.090 1.00 0.00 C ATOM 166 O ASN A 11 -8.922 -35.418 6.921 1.00 0.00 O ATOM 167 CB ASN A 11 -9.129 -35.614 10.544 1.00 0.00 C ATOM 168 CG ASN A 11 -7.806 -35.950 11.208 1.00 0.00 C ATOM 169 OD1 ASN A 11 -7.485 -37.119 11.425 1.00 0.00 O ATOM 170 ND2 ASN A 11 -7.033 -34.918 11.532 1.00 0.00 N ATOM 0 H ASN A 11 -7.886 -37.763 9.565 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.334 -36.249 8.885 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.222 -34.531 10.458 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.946 -35.955 11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.131 -35.078 11.980 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.342 -33.967 11.332 1.00 0.00 H new ATOM 177 N THR A 12 -7.485 -34.711 8.497 1.00 0.00 N ATOM 178 CA THR A 12 -6.712 -33.884 7.581 1.00 0.00 C ATOM 179 C THR A 12 -5.618 -34.693 6.893 1.00 0.00 C ATOM 180 O THR A 12 -4.691 -35.178 7.542 1.00 0.00 O ATOM 181 CB THR A 12 -6.087 -32.712 8.340 1.00 0.00 C ATOM 182 OG1 THR A 12 -5.396 -31.851 7.452 1.00 0.00 O ATOM 183 CG2 THR A 12 -5.110 -33.148 9.412 1.00 0.00 C ATOM 0 H THR A 12 -7.149 -34.697 9.460 1.00 0.00 H new ATOM 0 HA THR A 12 -7.389 -33.506 6.815 1.00 0.00 H new ATOM 0 HB THR A 12 -6.921 -32.198 8.818 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.005 -31.107 7.956 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.703 -32.269 9.912 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.625 -33.774 10.140 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.298 -33.715 8.956 1.00 0.00 H new ATOM 191 N ASN A 13 -5.720 -34.819 5.575 1.00 0.00 N ATOM 192 CA ASN A 13 -4.726 -35.550 4.798 1.00 0.00 C ATOM 193 C ASN A 13 -4.890 -35.278 3.300 1.00 0.00 C ATOM 194 O ASN A 13 -3.971 -34.761 2.663 1.00 0.00 O ATOM 195 CB ASN A 13 -4.791 -37.050 5.094 1.00 0.00 C ATOM 196 CG ASN A 13 -3.632 -37.808 4.480 1.00 0.00 C ATOM 197 OD1 ASN A 13 -3.636 -38.114 3.287 1.00 0.00 O ATOM 198 ND2 ASN A 13 -2.630 -38.114 5.295 1.00 0.00 N ATOM 0 H ASN A 13 -6.481 -34.424 5.022 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.740 -35.193 5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.793 -37.205 6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.729 -37.453 4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.821 -38.623 4.939 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.669 -37.840 6.277 1.00 0.00 H new ATOM 205 N PRO A 14 -6.065 -35.592 2.710 1.00 0.00 N ATOM 206 CA PRO A 14 -6.317 -35.342 1.283 1.00 0.00 C ATOM 207 C PRO A 14 -6.066 -33.890 0.901 1.00 0.00 C ATOM 208 O PRO A 14 -5.923 -33.562 -0.277 1.00 0.00 O ATOM 209 CB PRO A 14 -7.801 -35.670 1.114 1.00 0.00 C ATOM 210 CG PRO A 14 -8.105 -36.616 2.220 1.00 0.00 C ATOM 211 CD PRO A 14 -7.242 -36.185 3.374 1.00 0.00 C ATOM 0 HA PRO A 14 -5.657 -35.934 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.415 -34.772 1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.999 -36.121 0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.161 -36.580 2.486 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.884 -37.643 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.752 -35.462 4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.965 -37.028 4.007 1.00 0.00 H new ATOM 219 N LYS A 15 -6.027 -33.021 1.905 1.00 0.00 N ATOM 220 CA LYS A 15 -5.809 -31.610 1.680 1.00 0.00 C ATOM 221 C LYS A 15 -4.509 -31.148 2.340 1.00 0.00 C ATOM 222 O LYS A 15 -3.673 -30.524 1.693 1.00 0.00 O ATOM 223 CB LYS A 15 -7.013 -30.815 2.198 1.00 0.00 C ATOM 224 CG LYS A 15 -7.338 -31.035 3.674 1.00 0.00 C ATOM 225 CD LYS A 15 -8.502 -31.997 3.859 1.00 0.00 C ATOM 226 CE LYS A 15 -8.983 -32.022 5.303 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.340 -31.424 5.453 1.00 0.00 N ATOM 0 H LYS A 15 -6.145 -33.278 2.885 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.709 -31.430 0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.827 -29.753 2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.888 -31.080 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.458 -31.426 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.579 -30.079 4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.324 -31.704 3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.198 -33.000 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.999 -33.051 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.276 -31.478 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.628 -31.462 6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.320 -30.434 5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.021 -31.958 4.876 1.00 0.00 H new ATOM 241 N THR A 16 -4.341 -31.479 3.623 1.00 0.00 N ATOM 242 CA THR A 16 -3.141 -31.125 4.394 1.00 0.00 C ATOM 243 C THR A 16 -2.448 -29.849 3.882 1.00 0.00 C ATOM 244 O THR A 16 -2.825 -28.737 4.256 1.00 0.00 O ATOM 245 CB THR A 16 -2.153 -32.299 4.407 1.00 0.00 C ATOM 246 OG1 THR A 16 -2.776 -33.471 4.901 1.00 0.00 O ATOM 247 CG2 THR A 16 -0.920 -32.035 5.249 1.00 0.00 C ATOM 0 H THR A 16 -5.034 -32.001 4.160 1.00 0.00 H new ATOM 0 HA THR A 16 -3.473 -30.913 5.410 1.00 0.00 H new ATOM 0 HB THR A 16 -1.840 -32.428 3.371 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.150 -33.956 5.479 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.263 -32.904 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.392 -31.166 4.858 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.217 -31.845 6.280 1.00 0.00 H new ATOM 255 N ASN A 17 -1.424 -30.023 3.039 1.00 0.00 N ATOM 256 CA ASN A 17 -0.665 -28.899 2.494 1.00 0.00 C ATOM 257 C ASN A 17 -1.513 -28.036 1.567 1.00 0.00 C ATOM 258 O ASN A 17 -1.387 -26.814 1.565 1.00 0.00 O ATOM 259 CB ASN A 17 0.568 -29.409 1.740 1.00 0.00 C ATOM 260 CG ASN A 17 1.780 -29.560 2.642 1.00 0.00 C ATOM 261 OD1 ASN A 17 1.650 -29.855 3.830 1.00 0.00 O ATOM 262 ND2 ASN A 17 2.970 -29.356 2.082 1.00 0.00 N ATOM 0 H ASN A 17 -1.103 -30.937 2.720 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.352 -28.280 3.335 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.338 -30.371 1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.806 -28.719 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.818 -29.443 2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.034 -29.113 1.093 1.00 0.00 H new ATOM 269 N LEU A 18 -2.370 -28.672 0.776 1.00 0.00 N ATOM 270 CA LEU A 18 -3.225 -27.948 -0.156 1.00 0.00 C ATOM 271 C LEU A 18 -4.183 -27.024 0.587 1.00 0.00 C ATOM 272 O LEU A 18 -4.230 -25.824 0.325 1.00 0.00 O ATOM 273 CB LEU A 18 -4.014 -28.924 -1.031 1.00 0.00 C ATOM 274 CG LEU A 18 -4.217 -28.469 -2.479 1.00 0.00 C ATOM 275 CD1 LEU A 18 -4.922 -29.544 -3.294 1.00 0.00 C ATOM 276 CD2 LEU A 18 -5.007 -27.171 -2.512 1.00 0.00 C ATOM 0 H LEU A 18 -2.491 -29.685 0.762 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.584 -27.340 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.498 -29.884 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.991 -29.089 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.238 -28.297 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.054 -29.196 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.321 -30.453 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.897 -29.754 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.146 -26.856 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.980 -27.325 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.462 -26.400 -1.968 1.00 0.00 H new ATOM 288 N ARG A 19 -4.943 -27.589 1.516 1.00 0.00 N ATOM 289 CA ARG A 19 -5.904 -26.809 2.291 1.00 0.00 C ATOM 290 C ARG A 19 -5.208 -25.703 3.071 1.00 0.00 C ATOM 291 O ARG A 19 -5.666 -24.560 3.084 1.00 0.00 O ATOM 292 CB ARG A 19 -6.666 -27.712 3.262 1.00 0.00 C ATOM 293 CG ARG A 19 -7.830 -27.027 3.956 1.00 0.00 C ATOM 294 CD ARG A 19 -9.125 -27.176 3.170 1.00 0.00 C ATOM 295 NE ARG A 19 -10.267 -26.650 3.916 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.445 -25.357 4.175 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.556 -24.462 3.765 1.00 0.00 N ATOM 298 NH2 ARG A 19 -11.511 -24.957 4.854 1.00 0.00 N ATOM 0 H ARG A 19 -4.914 -28.581 1.752 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.606 -26.357 1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.040 -28.580 2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.973 -28.083 4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.959 -27.450 4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.604 -25.969 4.086 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.037 -26.651 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.293 -28.228 2.939 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.966 -27.310 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.730 -24.763 3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.698 -23.472 3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.195 -25.640 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.647 -23.966 5.052 1.00 0.00 H new ATOM 312 N LEU A 20 -4.110 -26.050 3.729 1.00 0.00 N ATOM 313 CA LEU A 20 -3.358 -25.087 4.523 1.00 0.00 C ATOM 314 C LEU A 20 -2.779 -23.972 3.650 1.00 0.00 C ATOM 315 O LEU A 20 -2.799 -22.801 4.030 1.00 0.00 O ATOM 316 CB LEU A 20 -2.241 -25.798 5.287 1.00 0.00 C ATOM 317 CG LEU A 20 -1.802 -25.109 6.579 1.00 0.00 C ATOM 318 CD1 LEU A 20 -2.789 -25.395 7.699 1.00 0.00 C ATOM 319 CD2 LEU A 20 -0.393 -25.537 6.971 1.00 0.00 C ATOM 0 H LEU A 20 -3.720 -26.992 3.729 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.044 -24.628 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.571 -26.809 5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.376 -25.892 4.631 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.788 -24.033 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.460 -24.896 8.610 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.775 -25.024 7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.841 -26.470 7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.103 -25.033 7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.370 -26.616 7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.303 -25.268 6.177 1.00 0.00 H new ATOM 331 N TRP A 21 -2.263 -24.345 2.481 1.00 0.00 N ATOM 332 CA TRP A 21 -1.679 -23.379 1.553 1.00 0.00 C ATOM 333 C TRP A 21 -2.729 -22.378 1.081 1.00 0.00 C ATOM 334 O TRP A 21 -2.518 -21.166 1.146 1.00 0.00 O ATOM 335 CB TRP A 21 -1.071 -24.100 0.344 1.00 0.00 C ATOM 336 CG TRP A 21 0.419 -23.973 0.251 1.00 0.00 C ATOM 337 CD1 TRP A 21 1.154 -23.786 -0.884 1.00 0.00 C ATOM 338 CD2 TRP A 21 1.356 -24.029 1.333 1.00 0.00 C ATOM 339 NE1 TRP A 21 2.492 -23.721 -0.577 1.00 0.00 N ATOM 340 CE2 TRP A 21 2.642 -23.869 0.779 1.00 0.00 C ATOM 341 CE3 TRP A 21 1.234 -24.196 2.714 1.00 0.00 C ATOM 342 CZ2 TRP A 21 3.796 -23.872 1.562 1.00 0.00 C ATOM 343 CZ3 TRP A 21 2.378 -24.203 3.489 1.00 0.00 C ATOM 344 CH2 TRP A 21 3.644 -24.040 2.912 1.00 0.00 C ATOM 0 H TRP A 21 -2.237 -25.311 2.153 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.892 -22.838 2.080 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.334 -25.157 0.393 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.518 -23.702 -0.567 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.743 -23.701 -1.879 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.249 -23.585 -1.247 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.262 -24.318 3.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.773 -23.746 1.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 2.295 -24.336 4.557 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.519 -24.047 3.546 1.00 0.00 H new ATOM 355 N VAL A 22 -3.856 -22.891 0.600 1.00 0.00 N ATOM 356 CA VAL A 22 -4.935 -22.041 0.109 1.00 0.00 C ATOM 357 C VAL A 22 -5.469 -21.125 1.207 1.00 0.00 C ATOM 358 O VAL A 22 -5.598 -19.918 1.009 1.00 0.00 O ATOM 359 CB VAL A 22 -6.106 -22.875 -0.455 1.00 0.00 C ATOM 360 CG1 VAL A 22 -7.168 -21.971 -1.065 1.00 0.00 C ATOM 361 CG2 VAL A 22 -5.606 -23.878 -1.483 1.00 0.00 C ATOM 0 H VAL A 22 -4.046 -23.891 0.539 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.508 -21.436 -0.691 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.558 -23.425 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.983 -22.580 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.553 -21.296 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.729 -21.389 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.447 -24.455 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.124 -23.348 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.888 -24.551 -1.015 1.00 0.00 H new ATOM 371 N ALA A 23 -5.790 -21.703 2.360 1.00 0.00 N ATOM 372 CA ALA A 23 -6.326 -20.931 3.478 1.00 0.00 C ATOM 373 C ALA A 23 -5.361 -19.838 3.936 1.00 0.00 C ATOM 374 O ALA A 23 -5.740 -18.672 4.044 1.00 0.00 O ATOM 375 CB ALA A 23 -6.663 -21.854 4.638 1.00 0.00 C ATOM 0 H ALA A 23 -5.689 -22.701 2.546 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.234 -20.439 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.062 -21.267 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.407 -22.583 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.762 -22.374 4.963 1.00 0.00 H new ATOM 381 N PHE A 24 -4.121 -20.223 4.221 1.00 0.00 N ATOM 382 CA PHE A 24 -3.114 -19.270 4.687 1.00 0.00 C ATOM 383 C PHE A 24 -2.803 -18.213 3.634 1.00 0.00 C ATOM 384 O PHE A 24 -2.793 -17.017 3.928 1.00 0.00 O ATOM 385 CB PHE A 24 -1.823 -19.994 5.078 1.00 0.00 C ATOM 386 CG PHE A 24 -1.776 -20.413 6.519 1.00 0.00 C ATOM 387 CD1 PHE A 24 -1.853 -19.472 7.531 1.00 0.00 C ATOM 388 CD2 PHE A 24 -1.649 -21.746 6.860 1.00 0.00 C ATOM 389 CE1 PHE A 24 -1.803 -19.854 8.857 1.00 0.00 C ATOM 390 CE2 PHE A 24 -1.601 -22.138 8.185 1.00 0.00 C ATOM 391 CZ PHE A 24 -1.677 -21.189 9.186 1.00 0.00 C ATOM 0 H PHE A 24 -3.788 -21.184 4.139 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.530 -18.770 5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.707 -20.876 4.449 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.975 -19.342 4.871 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.953 -18.426 7.281 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.586 -22.492 6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.862 -19.109 9.636 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.504 -23.184 8.437 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.638 -21.490 10.222 1.00 0.00 H new ATOM 401 N GLN A 25 -2.530 -18.654 2.414 1.00 0.00 N ATOM 402 CA GLN A 25 -2.197 -17.737 1.331 1.00 0.00 C ATOM 403 C GLN A 25 -3.343 -16.771 1.041 1.00 0.00 C ATOM 404 O GLN A 25 -3.123 -15.574 0.863 1.00 0.00 O ATOM 405 CB GLN A 25 -1.839 -18.521 0.069 1.00 0.00 C ATOM 406 CG GLN A 25 -0.939 -17.751 -0.882 1.00 0.00 C ATOM 407 CD GLN A 25 -0.811 -18.416 -2.239 1.00 0.00 C ATOM 408 OE1 GLN A 25 -1.741 -19.066 -2.717 1.00 0.00 O ATOM 409 NE2 GLN A 25 0.347 -18.252 -2.867 1.00 0.00 N ATOM 0 H GLN A 25 -2.532 -19.639 2.149 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.336 -17.148 1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.344 -19.449 0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.756 -18.796 -0.452 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.333 -16.743 -1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.051 -17.651 -0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.090 -17.705 -2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.494 -18.673 -3.784 1.00 0.00 H new ATOM 418 N MET A 26 -4.561 -17.290 0.988 1.00 0.00 N ATOM 419 CA MET A 26 -5.727 -16.458 0.712 1.00 0.00 C ATOM 420 C MET A 26 -5.986 -15.470 1.848 1.00 0.00 C ATOM 421 O MET A 26 -6.093 -14.267 1.622 1.00 0.00 O ATOM 422 CB MET A 26 -6.962 -17.331 0.496 1.00 0.00 C ATOM 423 CG MET A 26 -7.992 -16.711 -0.434 1.00 0.00 C ATOM 424 SD MET A 26 -8.947 -15.420 0.378 1.00 0.00 S ATOM 425 CE MET A 26 -9.491 -16.304 1.836 1.00 0.00 C ATOM 0 H MET A 26 -4.769 -18.278 1.131 1.00 0.00 H new ATOM 0 HA MET A 26 -5.522 -15.890 -0.196 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.650 -18.293 0.089 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.429 -17.530 1.461 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.488 -16.294 -1.306 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.666 -17.487 -0.796 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.455 -15.912 2.161 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.591 -17.364 1.603 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.759 -16.176 2.634 1.00 0.00 H new ATOM 435 N MET A 27 -6.102 -15.982 3.066 1.00 0.00 N ATOM 436 CA MET A 27 -6.367 -15.135 4.223 1.00 0.00 C ATOM 437 C MET A 27 -5.188 -14.215 4.540 1.00 0.00 C ATOM 438 O MET A 27 -5.308 -12.992 4.468 1.00 0.00 O ATOM 439 CB MET A 27 -6.698 -15.998 5.441 1.00 0.00 C ATOM 440 CG MET A 27 -7.733 -15.376 6.361 1.00 0.00 C ATOM 441 SD MET A 27 -9.385 -15.361 5.639 1.00 0.00 S ATOM 442 CE MET A 27 -10.343 -16.096 6.960 1.00 0.00 C ATOM 0 H MET A 27 -6.017 -16.976 3.279 1.00 0.00 H new ATOM 0 HA MET A 27 -7.222 -14.504 3.979 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.062 -16.968 5.101 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.784 -16.180 6.006 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.756 -15.928 7.301 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.435 -14.355 6.598 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.390 -16.154 6.661 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.968 -17.098 7.167 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.255 -15.483 7.857 1.00 0.00 H new ATOM 452 N LYS A 28 -4.061 -14.810 4.909 1.00 0.00 N ATOM 453 CA LYS A 28 -2.867 -14.045 5.263 1.00 0.00 C ATOM 454 C LYS A 28 -2.304 -13.277 4.070 1.00 0.00 C ATOM 455 O LYS A 28 -1.909 -12.117 4.203 1.00 0.00 O ATOM 456 CB LYS A 28 -1.798 -14.975 5.837 1.00 0.00 C ATOM 457 CG LYS A 28 -0.903 -14.309 6.870 1.00 0.00 C ATOM 458 CD LYS A 28 -0.344 -15.321 7.854 1.00 0.00 C ATOM 459 CE LYS A 28 0.339 -14.634 9.023 1.00 0.00 C ATOM 460 NZ LYS A 28 1.787 -14.409 8.759 1.00 0.00 N ATOM 0 H LYS A 28 -3.946 -15.822 4.972 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.159 -13.314 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.285 -15.837 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.180 -15.352 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.083 -13.797 6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.470 -13.550 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.149 -15.956 8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.368 -15.971 7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.148 -13.679 9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.223 -15.241 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.220 -13.938 9.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.256 -15.323 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.897 -13.809 7.917 1.00 0.00 H new ATOM 474 N GLY A 29 -2.260 -13.921 2.910 1.00 0.00 N ATOM 475 CA GLY A 29 -1.734 -13.267 1.723 1.00 0.00 C ATOM 476 C GLY A 29 -2.530 -12.036 1.337 1.00 0.00 C ATOM 477 O GLY A 29 -2.031 -10.914 1.425 1.00 0.00 O ATOM 0 H GLY A 29 -2.577 -14.880 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.696 -12.984 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.737 -13.973 0.892 1.00 0.00 H new ATOM 481 N ALA A 30 -3.771 -12.239 0.909 1.00 0.00 N ATOM 482 CA ALA A 30 -4.630 -11.130 0.511 1.00 0.00 C ATOM 483 C ALA A 30 -4.899 -10.196 1.687 1.00 0.00 C ATOM 484 O ALA A 30 -5.006 -8.982 1.516 1.00 0.00 O ATOM 485 CB ALA A 30 -5.937 -11.652 -0.065 1.00 0.00 C ATOM 0 H ALA A 30 -4.204 -13.159 0.829 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.112 -10.560 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.567 -10.812 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.729 -12.270 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.454 -12.248 0.687 1.00 0.00 H new ATOM 491 N GLY A 31 -5.012 -10.771 2.882 1.00 0.00 N ATOM 492 CA GLY A 31 -5.272 -9.976 4.069 1.00 0.00 C ATOM 493 C GLY A 31 -4.183 -8.961 4.351 1.00 0.00 C ATOM 494 O GLY A 31 -4.421 -7.754 4.297 1.00 0.00 O ATOM 0 H GLY A 31 -4.928 -11.774 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.223 -9.457 3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.375 -10.639 4.928 1.00 0.00 H new ATOM 498 N TRP A 32 -2.986 -9.446 4.662 1.00 0.00 N ATOM 499 CA TRP A 32 -1.864 -8.563 4.963 1.00 0.00 C ATOM 500 C TRP A 32 -1.525 -7.678 3.768 1.00 0.00 C ATOM 501 O TRP A 32 -1.464 -6.455 3.888 1.00 0.00 O ATOM 502 CB TRP A 32 -0.636 -9.377 5.367 1.00 0.00 C ATOM 503 CG TRP A 32 0.516 -8.526 5.811 1.00 0.00 C ATOM 504 CD1 TRP A 32 0.907 -8.288 7.097 1.00 0.00 C ATOM 505 CD2 TRP A 32 1.422 -7.789 4.975 1.00 0.00 C ATOM 506 NE1 TRP A 32 1.999 -7.454 7.114 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.333 -7.132 5.825 1.00 0.00 C ATOM 508 CE3 TRP A 32 1.554 -7.621 3.594 1.00 0.00 C ATOM 509 CZ2 TRP A 32 3.356 -6.323 5.338 1.00 0.00 C ATOM 510 CZ3 TRP A 32 2.570 -6.816 3.112 1.00 0.00 C ATOM 511 CH2 TRP A 32 3.459 -6.175 3.981 1.00 0.00 C ATOM 0 H TRP A 32 -2.768 -10.441 4.712 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.159 -7.923 5.795 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.908 -10.058 6.173 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.322 -9.992 4.523 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.427 -8.696 7.974 1.00 0.00 H new ATOM 0 HE1 TRP A 32 2.483 -7.128 7.951 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.874 -8.112 2.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.045 -5.829 6.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.679 -6.680 2.046 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.241 -5.552 3.574 1.00 0.00 H new ATOM 522 N ALA A 33 -1.292 -8.306 2.619 1.00 0.00 N ATOM 523 CA ALA A 33 -0.944 -7.574 1.404 1.00 0.00 C ATOM 524 C ALA A 33 -1.995 -6.528 1.067 1.00 0.00 C ATOM 525 O ALA A 33 -1.751 -5.332 1.186 1.00 0.00 O ATOM 526 CB ALA A 33 -0.762 -8.535 0.239 1.00 0.00 C ATOM 0 H ALA A 33 -1.338 -9.318 2.503 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.002 -7.056 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.503 -7.974 -0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.037 -9.239 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.690 -9.082 0.070 1.00 0.00 H new ATOM 532 N GLY A 34 -3.168 -6.983 0.650 1.00 0.00 N ATOM 533 CA GLY A 34 -4.230 -6.061 0.302 1.00 0.00 C ATOM 534 C GLY A 34 -4.617 -5.164 1.458 1.00 0.00 C ATOM 535 O GLY A 34 -4.895 -3.984 1.269 1.00 0.00 O ATOM 0 H GLY A 34 -3.403 -7.970 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.913 -5.447 -0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.104 -6.624 -0.026 1.00 0.00 H new ATOM 539 N GLY A 35 -4.642 -5.728 2.655 1.00 0.00 N ATOM 540 CA GLY A 35 -5.011 -4.961 3.829 1.00 0.00 C ATOM 541 C GLY A 35 -4.076 -3.795 4.104 1.00 0.00 C ATOM 542 O GLY A 35 -4.478 -2.633 4.011 1.00 0.00 O ATOM 0 H GLY A 35 -4.413 -6.705 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.025 -4.582 3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.023 -5.621 4.697 1.00 0.00 H new ATOM 546 N VAL A 36 -2.835 -4.108 4.465 1.00 0.00 N ATOM 547 CA VAL A 36 -1.837 -3.088 4.785 1.00 0.00 C ATOM 548 C VAL A 36 -1.507 -2.195 3.587 1.00 0.00 C ATOM 549 O VAL A 36 -1.469 -0.972 3.713 1.00 0.00 O ATOM 550 CB VAL A 36 -0.535 -3.730 5.308 1.00 0.00 C ATOM 551 CG1 VAL A 36 0.423 -2.665 5.827 1.00 0.00 C ATOM 552 CG2 VAL A 36 -0.846 -4.747 6.398 1.00 0.00 C ATOM 0 H VAL A 36 -2.493 -5.066 4.544 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.280 -2.466 5.563 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.051 -4.247 4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.334 -3.141 6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.671 -1.975 5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.050 -2.116 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.082 -5.191 6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.354 -4.250 7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.490 -5.528 5.994 1.00 0.00 H new ATOM 562 N PHE A 37 -1.252 -2.804 2.431 1.00 0.00 N ATOM 563 CA PHE A 37 -0.907 -2.043 1.229 1.00 0.00 C ATOM 564 C PHE A 37 -2.013 -1.057 0.849 1.00 0.00 C ATOM 565 O PHE A 37 -1.756 0.139 0.704 1.00 0.00 O ATOM 566 CB PHE A 37 -0.616 -2.985 0.056 1.00 0.00 C ATOM 567 CG PHE A 37 0.794 -2.893 -0.459 1.00 0.00 C ATOM 568 CD1 PHE A 37 1.870 -2.908 0.414 1.00 0.00 C ATOM 569 CD2 PHE A 37 1.040 -2.799 -1.820 1.00 0.00 C ATOM 570 CE1 PHE A 37 3.166 -2.830 -0.060 1.00 0.00 C ATOM 571 CE2 PHE A 37 2.333 -2.720 -2.300 1.00 0.00 C ATOM 572 CZ PHE A 37 3.398 -2.735 -1.419 1.00 0.00 C ATOM 0 H PHE A 37 -1.277 -3.815 2.300 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.008 -1.470 1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.813 -4.011 0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.306 -2.761 -0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.694 -2.981 1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.212 -2.787 -2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.996 -2.843 0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.512 -2.647 -3.363 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.410 -2.673 -1.792 1.00 0.00 H new ATOM 582 N PHE A 38 -3.236 -1.553 0.687 1.00 0.00 N ATOM 583 CA PHE A 38 -4.358 -0.694 0.321 1.00 0.00 C ATOM 584 C PHE A 38 -4.661 0.300 1.434 1.00 0.00 C ATOM 585 O PHE A 38 -4.971 1.458 1.172 1.00 0.00 O ATOM 586 CB PHE A 38 -5.606 -1.523 0.017 1.00 0.00 C ATOM 587 CG PHE A 38 -5.743 -1.901 -1.429 1.00 0.00 C ATOM 588 CD1 PHE A 38 -6.320 -1.027 -2.333 1.00 0.00 C ATOM 589 CD2 PHE A 38 -5.298 -3.133 -1.882 1.00 0.00 C ATOM 590 CE1 PHE A 38 -6.451 -1.372 -3.666 1.00 0.00 C ATOM 591 CE2 PHE A 38 -5.425 -3.484 -3.213 1.00 0.00 C ATOM 592 CZ PHE A 38 -6.003 -2.602 -4.106 1.00 0.00 C ATOM 0 H PHE A 38 -3.475 -2.538 0.802 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.075 -0.145 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.584 -2.431 0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.488 -0.960 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.672 -0.064 -1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.847 -3.826 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.903 -0.681 -4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.073 -4.446 -3.554 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.104 -2.874 -5.146 1.00 0.00 H new ATOM 602 N GLY A 39 -4.569 -0.156 2.677 1.00 0.00 N ATOM 603 CA GLY A 39 -4.841 0.718 3.801 1.00 0.00 C ATOM 604 C GLY A 39 -3.914 1.915 3.830 1.00 0.00 C ATOM 605 O GLY A 39 -4.363 3.058 3.738 1.00 0.00 O ATOM 0 H GLY A 39 -4.312 -1.111 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.874 1.062 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.737 0.157 4.730 1.00 0.00 H new ATOM 609 N THR A 40 -2.616 1.655 3.950 1.00 0.00 N ATOM 610 CA THR A 40 -1.625 2.722 3.984 1.00 0.00 C ATOM 611 C THR A 40 -1.722 3.594 2.737 1.00 0.00 C ATOM 612 O THR A 40 -1.836 4.811 2.832 1.00 0.00 O ATOM 613 CB THR A 40 -0.214 2.142 4.105 1.00 0.00 C ATOM 614 OG1 THR A 40 -0.196 1.044 5.000 1.00 0.00 O ATOM 615 CG2 THR A 40 0.805 3.149 4.594 1.00 0.00 C ATOM 0 H THR A 40 -2.227 0.715 4.025 1.00 0.00 H new ATOM 0 HA THR A 40 -1.829 3.341 4.858 1.00 0.00 H new ATOM 0 HB THR A 40 0.058 1.832 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.501 0.237 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.784 2.674 4.658 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.852 3.986 3.898 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.513 3.513 5.579 1.00 0.00 H new ATOM 623 N LEU A 41 -1.678 2.964 1.567 1.00 0.00 N ATOM 624 CA LEU A 41 -1.760 3.687 0.297 1.00 0.00 C ATOM 625 C LEU A 41 -2.978 4.609 0.257 1.00 0.00 C ATOM 626 O LEU A 41 -2.853 5.804 -0.010 1.00 0.00 O ATOM 627 CB LEU A 41 -1.814 2.703 -0.876 1.00 0.00 C ATOM 628 CG LEU A 41 -1.494 3.300 -2.251 1.00 0.00 C ATOM 629 CD1 LEU A 41 -0.116 3.948 -2.252 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.584 2.229 -3.333 1.00 0.00 C ATOM 0 H LEU A 41 -1.586 1.953 1.469 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.864 4.302 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.114 1.891 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.810 2.263 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.232 4.072 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.089 4.365 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.088 4.744 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.638 3.199 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.354 2.671 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.870 1.434 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.592 1.816 -3.353 1.00 0.00 H new ATOM 642 N LEU A 42 -4.156 4.048 0.520 1.00 0.00 N ATOM 643 CA LEU A 42 -5.393 4.824 0.510 1.00 0.00 C ATOM 644 C LEU A 42 -5.359 5.914 1.570 1.00 0.00 C ATOM 645 O LEU A 42 -5.903 7.001 1.375 1.00 0.00 O ATOM 646 CB LEU A 42 -6.607 3.917 0.741 1.00 0.00 C ATOM 647 CG LEU A 42 -7.786 4.166 -0.199 1.00 0.00 C ATOM 648 CD1 LEU A 42 -7.512 3.556 -1.564 1.00 0.00 C ATOM 649 CD2 LEU A 42 -9.069 3.604 0.397 1.00 0.00 C ATOM 0 H LEU A 42 -4.280 3.060 0.742 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.482 5.291 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.291 2.879 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.947 4.045 1.769 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.911 5.242 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.361 3.742 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.616 4.007 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.362 2.481 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.899 3.790 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.959 2.531 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.269 4.089 1.353 1.00 0.00 H new ATOM 661 N LEU A 43 -4.721 5.616 2.698 1.00 0.00 N ATOM 662 CA LEU A 43 -4.624 6.575 3.791 1.00 0.00 C ATOM 663 C LEU A 43 -3.775 7.772 3.380 1.00 0.00 C ATOM 664 O LEU A 43 -4.191 8.914 3.533 1.00 0.00 O ATOM 665 CB LEU A 43 -4.030 5.917 5.041 1.00 0.00 C ATOM 666 CG LEU A 43 -5.032 5.638 6.165 1.00 0.00 C ATOM 667 CD1 LEU A 43 -6.216 4.837 5.641 1.00 0.00 C ATOM 668 CD2 LEU A 43 -4.353 4.905 7.314 1.00 0.00 C ATOM 0 H LEU A 43 -4.265 4.721 2.878 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.631 6.921 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.562 4.976 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.240 6.559 5.430 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.405 6.592 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.917 4.649 6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.717 5.401 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.863 3.887 5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.079 4.715 8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.951 3.958 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.541 5.517 7.707 1.00 0.00 H new ATOM 680 N ILE A 44 -2.587 7.500 2.850 1.00 0.00 N ATOM 681 CA ILE A 44 -1.682 8.558 2.416 1.00 0.00 C ATOM 682 C ILE A 44 -2.304 9.374 1.288 1.00 0.00 C ATOM 683 O ILE A 44 -2.134 10.590 1.221 1.00 0.00 O ATOM 684 CB ILE A 44 -0.329 7.980 1.945 1.00 0.00 C ATOM 685 CG1 ILE A 44 0.276 7.072 3.022 1.00 0.00 C ATOM 686 CG2 ILE A 44 0.640 9.099 1.593 1.00 0.00 C ATOM 687 CD1 ILE A 44 0.529 7.772 4.341 1.00 0.00 C ATOM 0 H ILE A 44 -2.228 6.555 2.711 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.507 9.207 3.274 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.508 7.384 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.394 6.229 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.216 6.663 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.587 8.670 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.219 9.707 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.810 9.723 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.957 7.065 5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.224 8.598 4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.412 8.157 4.735 1.00 0.00 H new ATOM 699 N GLY A 45 -3.033 8.698 0.406 1.00 0.00 N ATOM 700 CA GLY A 45 -3.677 9.378 -0.703 1.00 0.00 C ATOM 701 C GLY A 45 -4.748 10.354 -0.247 1.00 0.00 C ATOM 702 O GLY A 45 -4.708 11.542 -0.576 1.00 0.00 O ATOM 0 H GLY A 45 -3.189 7.691 0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.925 9.914 -1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.124 8.639 -1.368 1.00 0.00 H new ATOM 706 N PHE A 46 -5.715 9.847 0.510 1.00 0.00 N ATOM 707 CA PHE A 46 -6.810 10.670 1.011 1.00 0.00 C ATOM 708 C PHE A 46 -6.304 11.722 2.003 1.00 0.00 C ATOM 709 O PHE A 46 -6.760 12.865 1.998 1.00 0.00 O ATOM 710 CB PHE A 46 -7.882 9.782 1.655 1.00 0.00 C ATOM 711 CG PHE A 46 -9.290 10.213 1.339 1.00 0.00 C ATOM 712 CD1 PHE A 46 -9.937 11.141 2.138 1.00 0.00 C ATOM 713 CD2 PHE A 46 -9.963 9.699 0.238 1.00 0.00 C ATOM 714 CE1 PHE A 46 -11.226 11.549 1.848 1.00 0.00 C ATOM 715 CE2 PHE A 46 -11.252 10.107 -0.058 1.00 0.00 C ATOM 716 CZ PHE A 46 -11.884 11.033 0.748 1.00 0.00 C ATOM 0 H PHE A 46 -5.763 8.868 0.791 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.254 11.201 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.741 8.755 1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.744 9.786 2.736 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.429 11.551 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.475 8.972 -0.395 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -11.719 12.271 2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -11.763 9.701 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 46 -12.890 11.353 0.519 1.00 0.00 H new ATOM 726 N PHE A 47 -5.360 11.328 2.851 1.00 0.00 N ATOM 727 CA PHE A 47 -4.787 12.233 3.847 1.00 0.00 C ATOM 728 C PHE A 47 -3.920 13.312 3.196 1.00 0.00 C ATOM 729 O PHE A 47 -3.916 14.458 3.637 1.00 0.00 O ATOM 730 CB PHE A 47 -3.962 11.447 4.862 1.00 0.00 C ATOM 731 CG PHE A 47 -4.744 11.037 6.078 1.00 0.00 C ATOM 732 CD1 PHE A 47 -5.034 11.957 7.071 1.00 0.00 C ATOM 733 CD2 PHE A 47 -5.191 9.734 6.225 1.00 0.00 C ATOM 734 CE1 PHE A 47 -5.757 11.585 8.187 1.00 0.00 C ATOM 735 CE2 PHE A 47 -5.912 9.355 7.340 1.00 0.00 C ATOM 736 CZ PHE A 47 -6.196 10.282 8.322 1.00 0.00 C ATOM 0 H PHE A 47 -4.973 10.385 2.870 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.614 12.728 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.560 10.556 4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.111 12.052 5.174 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.691 12.976 6.972 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.973 9.006 5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.979 12.312 8.954 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.253 8.335 7.443 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.761 9.989 9.195 1.00 0.00 H new ATOM 746 N ARG A 48 -3.176 12.940 2.153 1.00 0.00 N ATOM 747 CA ARG A 48 -2.307 13.894 1.464 1.00 0.00 C ATOM 748 C ARG A 48 -3.132 14.945 0.726 1.00 0.00 C ATOM 749 O ARG A 48 -2.791 16.127 0.739 1.00 0.00 O ATOM 750 CB ARG A 48 -1.348 13.179 0.496 1.00 0.00 C ATOM 751 CG ARG A 48 -2.027 12.564 -0.718 1.00 0.00 C ATOM 752 CD ARG A 48 -1.065 11.697 -1.524 1.00 0.00 C ATOM 753 NE ARG A 48 -0.479 12.409 -2.661 1.00 0.00 N ATOM 754 CZ ARG A 48 -1.033 12.470 -3.873 1.00 0.00 C ATOM 755 NH1 ARG A 48 -2.200 11.884 -4.114 1.00 0.00 N ATOM 756 NH2 ARG A 48 -0.416 13.120 -4.852 1.00 0.00 N ATOM 0 H ARG A 48 -3.157 11.995 1.770 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.705 14.398 2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.597 13.891 0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.821 12.395 1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.876 11.961 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.423 13.356 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.267 11.344 -0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.594 10.815 -1.886 1.00 0.00 H new ATOM 0 HE ARG A 48 0.409 12.889 -2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.682 11.381 -3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.615 11.937 -5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.481 13.573 -4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.839 13.167 -5.779 1.00 0.00 H new ATOM 770 N VAL A 49 -4.221 14.519 0.088 1.00 0.00 N ATOM 771 CA VAL A 49 -5.072 15.461 -0.638 1.00 0.00 C ATOM 772 C VAL A 49 -5.852 16.358 0.324 1.00 0.00 C ATOM 773 O VAL A 49 -5.731 17.582 0.276 1.00 0.00 O ATOM 774 CB VAL A 49 -6.061 14.756 -1.593 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.375 14.387 -2.899 1.00 0.00 C ATOM 776 CG2 VAL A 49 -6.680 13.525 -0.944 1.00 0.00 C ATOM 0 H VAL A 49 -4.531 13.548 0.058 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.398 16.071 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.867 15.456 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.089 13.892 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.002 15.290 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.542 13.714 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.370 13.053 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.893 12.819 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.220 13.821 -0.045 1.00 0.00 H new ATOM 786 N VAL A 50 -6.643 15.749 1.204 1.00 0.00 N ATOM 787 CA VAL A 50 -7.428 16.501 2.181 1.00 0.00 C ATOM 788 C VAL A 50 -6.523 17.183 3.197 1.00 0.00 C ATOM 789 O VAL A 50 -6.799 18.291 3.655 1.00 0.00 O ATOM 790 CB VAL A 50 -8.412 15.583 2.926 1.00 0.00 C ATOM 791 CG1 VAL A 50 -9.294 16.396 3.861 1.00 0.00 C ATOM 792 CG2 VAL A 50 -9.252 14.784 1.937 1.00 0.00 C ATOM 0 H VAL A 50 -6.758 14.737 1.261 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.988 17.256 1.630 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.841 14.877 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.984 15.731 4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.671 16.914 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.860 17.127 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.942 14.140 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.817 15.468 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.598 14.171 1.316 1.00 0.00 H new ATOM 802 N GLY A 51 -5.441 16.502 3.538 1.00 0.00 N ATOM 803 CA GLY A 51 -4.491 17.031 4.498 1.00 0.00 C ATOM 804 C GLY A 51 -3.749 18.235 3.972 1.00 0.00 C ATOM 805 O GLY A 51 -3.388 19.134 4.732 1.00 0.00 O ATOM 0 H GLY A 51 -5.201 15.584 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.017 17.303 5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.774 16.253 4.762 1.00 0.00 H new ATOM 809 N ARG A 52 -3.510 18.248 2.668 1.00 0.00 N ATOM 810 CA ARG A 52 -2.790 19.347 2.045 1.00 0.00 C ATOM 811 C ARG A 52 -3.707 20.531 1.784 1.00 0.00 C ATOM 812 O ARG A 52 -3.477 21.628 2.292 1.00 0.00 O ATOM 813 CB ARG A 52 -2.154 18.887 0.734 1.00 0.00 C ATOM 814 CG ARG A 52 -1.198 19.905 0.132 1.00 0.00 C ATOM 815 CD ARG A 52 0.254 19.531 0.394 1.00 0.00 C ATOM 816 NE ARG A 52 0.819 20.259 1.529 1.00 0.00 N ATOM 817 CZ ARG A 52 1.291 21.503 1.457 1.00 0.00 C ATOM 818 NH1 ARG A 52 1.276 22.163 0.306 1.00 0.00 N ATOM 819 NH2 ARG A 52 1.783 22.087 2.541 1.00 0.00 N ATOM 0 H ARG A 52 -3.803 17.513 2.024 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.008 19.666 2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.617 17.955 0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.943 18.671 0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.369 19.975 -0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.402 20.890 0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.322 18.460 0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.846 19.737 -0.498 1.00 0.00 H new ATOM 0 HE ARG A 52 0.854 19.785 2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.901 21.718 -0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.639 23.115 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.800 21.584 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.145 23.039 2.488 1.00 0.00 H new ATOM 833 N MET A 53 -4.747 20.315 0.988 1.00 0.00 N ATOM 834 CA MET A 53 -5.676 21.384 0.670 1.00 0.00 C ATOM 835 C MET A 53 -6.992 20.845 0.127 1.00 0.00 C ATOM 836 O MET A 53 -8.056 21.354 0.464 1.00 0.00 O ATOM 837 CB MET A 53 -5.049 22.343 -0.346 1.00 0.00 C ATOM 838 CG MET A 53 -5.027 23.789 0.118 1.00 0.00 C ATOM 839 SD MET A 53 -3.382 24.520 0.039 1.00 0.00 S ATOM 840 CE MET A 53 -3.753 26.118 -0.676 1.00 0.00 C ATOM 0 H MET A 53 -4.964 19.417 0.556 1.00 0.00 H new ATOM 0 HA MET A 53 -5.889 21.920 1.595 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.029 22.022 -0.555 1.00 0.00 H new ATOM 0 HB3 MET A 53 -5.602 22.279 -1.283 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.710 24.374 -0.498 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.395 23.843 1.142 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.832 26.689 -0.788 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.216 25.981 -1.653 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.438 26.659 -0.023 1.00 0.00 H new ATOM 850 N LEU A 54 -6.909 19.832 -0.730 1.00 0.00 N ATOM 851 CA LEU A 54 -8.101 19.246 -1.340 1.00 0.00 C ATOM 852 C LEU A 54 -8.800 18.253 -0.409 1.00 0.00 C ATOM 853 O LEU A 54 -8.393 17.097 -0.315 1.00 0.00 O ATOM 854 CB LEU A 54 -7.725 18.546 -2.650 1.00 0.00 C ATOM 855 CG LEU A 54 -7.009 19.425 -3.679 1.00 0.00 C ATOM 856 CD1 LEU A 54 -6.483 18.579 -4.830 1.00 0.00 C ATOM 857 CD2 LEU A 54 -7.941 20.513 -4.197 1.00 0.00 C ATOM 0 H LEU A 54 -6.031 19.400 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.799 20.060 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.086 17.694 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.633 18.149 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.162 19.905 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.977 19.221 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.780 17.840 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.315 18.070 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.413 21.127 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.810 20.054 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.268 21.138 -3.366 1.00 0.00 H new ATOM 869 N PRO A 55 -9.874 18.685 0.286 1.00 0.00 N ATOM 870 CA PRO A 55 -10.629 17.830 1.197 1.00 0.00 C ATOM 871 C PRO A 55 -11.761 17.081 0.487 1.00 0.00 C ATOM 872 O PRO A 55 -11.873 15.861 0.596 1.00 0.00 O ATOM 873 CB PRO A 55 -11.179 18.828 2.232 1.00 0.00 C ATOM 874 CG PRO A 55 -10.966 20.201 1.653 1.00 0.00 C ATOM 875 CD PRO A 55 -10.450 20.027 0.247 1.00 0.00 C ATOM 0 HA PRO A 55 -10.017 17.042 1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.237 18.647 2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.661 18.724 3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -11.899 20.765 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.254 20.765 2.256 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.248 20.105 -0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.705 20.781 -0.008 1.00 0.00 H new ATOM 883 N ILE A 56 -12.581 17.819 -0.257 1.00 0.00 N ATOM 884 CA ILE A 56 -13.690 17.235 -1.006 1.00 0.00 C ATOM 885 C ILE A 56 -14.039 18.116 -2.201 1.00 0.00 C ATOM 886 O ILE A 56 -15.183 18.539 -2.360 1.00 0.00 O ATOM 887 CB ILE A 56 -14.954 17.043 -0.139 1.00 0.00 C ATOM 888 CG1 ILE A 56 -15.424 18.377 0.465 1.00 0.00 C ATOM 889 CG2 ILE A 56 -14.702 16.008 0.946 1.00 0.00 C ATOM 890 CD1 ILE A 56 -14.560 18.882 1.599 1.00 0.00 C ATOM 0 H ILE A 56 -12.497 18.831 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.359 16.252 -1.341 1.00 0.00 H new ATOM 0 HB ILE A 56 -15.754 16.676 -0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -15.448 19.131 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -16.446 18.260 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -15.603 15.885 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.440 15.055 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.883 16.341 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -14.960 19.826 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -14.555 18.150 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.542 19.034 1.241 1.00 0.00 H new ATOM 902 N GLN A 57 -13.029 18.404 -3.023 1.00 0.00 N ATOM 903 CA GLN A 57 -13.183 19.256 -4.208 1.00 0.00 C ATOM 904 C GLN A 57 -13.108 20.732 -3.821 1.00 0.00 C ATOM 905 O GLN A 57 -12.674 21.570 -4.612 1.00 0.00 O ATOM 906 CB GLN A 57 -14.491 18.967 -4.964 1.00 0.00 C ATOM 907 CG GLN A 57 -14.330 17.981 -6.111 1.00 0.00 C ATOM 908 CD GLN A 57 -14.333 18.657 -7.470 1.00 0.00 C ATOM 909 OE1 GLN A 57 -15.390 18.913 -8.048 1.00 0.00 O ATOM 910 NE2 GLN A 57 -13.145 18.947 -7.989 1.00 0.00 N ATOM 0 H GLN A 57 -12.080 18.054 -2.888 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.359 19.022 -4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.227 18.576 -4.262 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -14.889 19.904 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.397 17.433 -5.985 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.137 17.250 -6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.294 18.717 -7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.084 19.400 -8.901 1.00 0.00 H new ATOM 919 N GLU A 58 -13.524 21.040 -2.593 1.00 0.00 N ATOM 920 CA GLU A 58 -13.492 22.407 -2.087 1.00 0.00 C ATOM 921 C GLU A 58 -12.053 22.865 -1.882 1.00 0.00 C ATOM 922 O GLU A 58 -11.209 22.097 -1.423 1.00 0.00 O ATOM 923 CB GLU A 58 -14.265 22.501 -0.769 1.00 0.00 C ATOM 924 CG GLU A 58 -15.727 22.874 -0.948 1.00 0.00 C ATOM 925 CD GLU A 58 -16.259 23.729 0.188 1.00 0.00 C ATOM 926 OE1 GLU A 58 -15.477 24.051 1.109 1.00 0.00 O ATOM 927 OE2 GLU A 58 -17.457 24.080 0.152 1.00 0.00 O ATOM 0 H GLU A 58 -13.888 20.356 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 58 -13.965 23.059 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.203 21.543 -0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.786 23.241 -0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.848 23.412 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -16.323 21.964 -1.022 1.00 0.00 H new ATOM 934 N ASN A 59 -11.779 24.118 -2.227 1.00 0.00 N ATOM 935 CA ASN A 59 -10.440 24.676 -2.085 1.00 0.00 C ATOM 936 C ASN A 59 -10.219 25.203 -0.670 1.00 0.00 C ATOM 937 O ASN A 59 -9.194 24.926 -0.047 1.00 0.00 O ATOM 938 CB ASN A 59 -10.221 25.798 -3.103 1.00 0.00 C ATOM 939 CG ASN A 59 -10.024 25.272 -4.511 1.00 0.00 C ATOM 940 OD1 ASN A 59 -10.667 25.730 -5.455 1.00 0.00 O ATOM 941 ND2 ASN A 59 -9.125 24.307 -4.656 1.00 0.00 N ATOM 0 H ASN A 59 -12.468 24.767 -2.608 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.719 23.881 -2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.078 26.472 -3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.349 26.384 -2.812 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.943 23.914 -5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.616 23.958 -3.844 1.00 0.00 H new ATOM 948 N GLN A 60 -11.189 25.960 -0.170 1.00 0.00 N ATOM 949 CA GLN A 60 -11.108 26.526 1.174 1.00 0.00 C ATOM 950 C GLN A 60 -9.915 27.471 1.307 1.00 0.00 C ATOM 951 O GLN A 60 -8.815 27.053 1.665 1.00 0.00 O ATOM 952 CB GLN A 60 -11.005 25.409 2.216 1.00 0.00 C ATOM 953 CG GLN A 60 -11.900 25.628 3.427 1.00 0.00 C ATOM 954 CD GLN A 60 -11.214 25.278 4.733 1.00 0.00 C ATOM 955 OE1 GLN A 60 -10.282 24.475 4.763 1.00 0.00 O ATOM 956 NE2 GLN A 60 -11.674 25.879 5.825 1.00 0.00 N ATOM 0 H GLN A 60 -12.043 26.197 -0.675 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.019 27.099 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.266 24.460 1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.970 25.327 2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.217 26.671 3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.801 25.024 3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.449 26.539 5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.252 25.681 6.732 1.00 0.00 H new ATOM 965 N ALA A 61 -10.145 28.750 1.028 1.00 0.00 N ATOM 966 CA ALA A 61 -9.095 29.755 1.128 1.00 0.00 C ATOM 967 C ALA A 61 -7.894 29.411 0.243 1.00 0.00 C ATOM 968 O ALA A 61 -6.771 29.282 0.730 1.00 0.00 O ATOM 969 CB ALA A 61 -8.660 29.914 2.580 1.00 0.00 C ATOM 0 H ALA A 61 -11.050 29.114 0.731 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.503 30.701 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.875 30.667 2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.513 30.226 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.281 28.962 2.953 1.00 0.00 H new ATOM 975 N PRO A 62 -8.112 29.262 -1.076 1.00 0.00 N ATOM 976 CA PRO A 62 -7.036 28.943 -2.021 1.00 0.00 C ATOM 977 C PRO A 62 -6.125 30.139 -2.295 1.00 0.00 C ATOM 978 O PRO A 62 -4.962 29.976 -2.663 1.00 0.00 O ATOM 979 CB PRO A 62 -7.786 28.548 -3.291 1.00 0.00 C ATOM 980 CG PRO A 62 -9.081 29.282 -3.214 1.00 0.00 C ATOM 981 CD PRO A 62 -9.419 29.395 -1.751 1.00 0.00 C ATOM 0 HA PRO A 62 -6.377 28.165 -1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.226 28.827 -4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.944 27.471 -3.338 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.996 30.268 -3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.863 28.747 -3.753 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.892 30.350 -1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.112 28.613 -1.439 1.00 0.00 H new ATOM 989 N ALA A 63 -6.671 31.338 -2.124 1.00 0.00 N ATOM 990 CA ALA A 63 -5.928 32.571 -2.361 1.00 0.00 C ATOM 991 C ALA A 63 -4.803 32.777 -1.342 1.00 0.00 C ATOM 992 O ALA A 63 -3.657 33.017 -1.723 1.00 0.00 O ATOM 993 CB ALA A 63 -6.880 33.758 -2.344 1.00 0.00 C ATOM 0 H ALA A 63 -7.634 31.483 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.460 32.490 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.320 34.676 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.630 33.634 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.373 33.815 -1.373 1.00 0.00 H new ATOM 999 N PRO A 64 -5.103 32.694 -0.030 1.00 0.00 N ATOM 1000 CA PRO A 64 -4.093 32.885 1.021 1.00 0.00 C ATOM 1001 C PRO A 64 -2.935 31.897 0.905 1.00 0.00 C ATOM 1002 O PRO A 64 -2.904 30.876 1.589 1.00 0.00 O ATOM 1003 CB PRO A 64 -4.869 32.659 2.326 1.00 0.00 C ATOM 1004 CG PRO A 64 -6.105 31.934 1.922 1.00 0.00 C ATOM 1005 CD PRO A 64 -6.432 32.418 0.539 1.00 0.00 C ATOM 0 HA PRO A 64 -3.630 33.870 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.284 32.075 3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.108 33.605 2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.946 30.856 1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.923 32.141 2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.971 31.665 -0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.057 33.311 0.560 1.00 0.00 H new ATOM 1013 N ASN A 65 -1.978 32.215 0.035 1.00 0.00 N ATOM 1014 CA ASN A 65 -0.812 31.365 -0.170 1.00 0.00 C ATOM 1015 C ASN A 65 0.298 31.732 0.809 1.00 0.00 C ATOM 1016 O ASN A 65 0.785 30.885 1.558 1.00 0.00 O ATOM 1017 CB ASN A 65 -0.309 31.489 -1.610 1.00 0.00 C ATOM 1018 CG ASN A 65 -0.995 30.516 -2.549 1.00 0.00 C ATOM 1019 OD1 ASN A 65 -2.082 30.789 -3.058 1.00 0.00 O ATOM 1020 ND2 ASN A 65 -0.364 29.371 -2.779 1.00 0.00 N ATOM 0 H ASN A 65 -1.990 33.058 -0.539 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.105 30.331 0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.474 32.507 -1.963 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.767 31.314 -1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.779 28.676 -3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.536 29.187 -2.336 1.00 0.00 H new ATOM 1027 N ILE A 66 0.690 33.004 0.804 1.00 0.00 N ATOM 1028 CA ILE A 66 1.737 33.478 1.697 1.00 0.00 C ATOM 1029 C ILE A 66 1.788 35.006 1.737 1.00 0.00 C ATOM 1030 O ILE A 66 2.513 35.637 0.967 1.00 0.00 O ATOM 1031 CB ILE A 66 3.112 32.913 1.286 1.00 0.00 C ATOM 1032 CG1 ILE A 66 4.206 33.387 2.248 1.00 0.00 C ATOM 1033 CG2 ILE A 66 3.444 33.297 -0.149 1.00 0.00 C ATOM 1034 CD1 ILE A 66 5.050 32.256 2.796 1.00 0.00 C ATOM 0 H ILE A 66 0.298 33.720 0.193 1.00 0.00 H new ATOM 0 HA ILE A 66 1.496 33.118 2.697 1.00 0.00 H new ATOM 0 HB ILE A 66 3.064 31.826 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.852 34.097 1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.744 33.922 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.418 32.889 -0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.684 32.895 -0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.469 34.383 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.806 32.659 3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.414 31.558 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.539 31.735 1.973 1.00 0.00 H new ATOM 1046 N THR A 67 1.013 35.587 2.652 1.00 0.00 N ATOM 1047 CA THR A 67 0.946 37.041 2.824 1.00 0.00 C ATOM 1048 C THR A 67 1.035 37.782 1.483 1.00 0.00 C ATOM 1049 O THR A 67 0.756 37.209 0.429 1.00 0.00 O ATOM 1050 CB THR A 67 2.066 37.501 3.763 1.00 0.00 C ATOM 1051 OG1 THR A 67 3.328 37.388 3.129 1.00 0.00 O ATOM 1052 CG2 THR A 67 2.124 36.712 5.056 1.00 0.00 C ATOM 0 H THR A 67 0.415 35.067 3.294 1.00 0.00 H new ATOM 0 HA THR A 67 -0.022 37.283 3.263 1.00 0.00 H new ATOM 0 HB THR A 67 1.838 38.540 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.031 37.688 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.938 37.088 5.675 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.181 36.821 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.295 35.659 4.832 1.00 0.00 H new ATOM 1060 N GLY A 68 1.414 39.059 1.529 1.00 0.00 N ATOM 1061 CA GLY A 68 1.520 39.848 0.315 1.00 0.00 C ATOM 1062 C GLY A 68 0.342 40.783 0.124 1.00 0.00 C ATOM 1063 O GLY A 68 -0.343 41.134 1.086 1.00 0.00 O ATOM 0 H GLY A 68 1.649 39.559 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.441 40.431 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.592 39.180 -0.543 1.00 0.00 H new ATOM 1067 N ALA A 69 0.108 41.192 -1.122 1.00 0.00 N ATOM 1068 CA ALA A 69 -0.993 42.097 -1.439 1.00 0.00 C ATOM 1069 C ALA A 69 -1.104 42.333 -2.943 1.00 0.00 C ATOM 1070 O ALA A 69 -0.343 41.766 -3.729 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.810 43.418 -0.706 1.00 0.00 C ATOM 0 H ALA A 69 0.667 40.910 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.921 41.631 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.636 44.086 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.793 43.238 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.130 43.877 -1.012 1.00 0.00 H new ATOM 1077 N LEU A 70 -2.056 43.172 -3.340 1.00 0.00 N ATOM 1078 CA LEU A 70 -2.266 43.479 -4.749 1.00 0.00 C ATOM 1079 C LEU A 70 -3.303 44.585 -4.918 1.00 0.00 C ATOM 1080 O LEU A 70 -4.318 44.404 -5.590 1.00 0.00 O ATOM 1081 CB LEU A 70 -2.706 42.223 -5.504 1.00 0.00 C ATOM 1082 CG LEU A 70 -2.324 42.189 -6.986 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -1.982 40.770 -7.419 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.452 42.754 -7.839 1.00 0.00 C ATOM 0 H LEU A 70 -2.694 43.651 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.322 43.831 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.272 41.352 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.789 42.129 -5.422 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.440 42.811 -7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.713 40.767 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.142 40.402 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.846 40.124 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.164 42.723 -8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.353 42.159 -7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.647 43.786 -7.547 1.00 0.00 H new ATOM 1096 N GLU A 71 -3.041 45.733 -4.308 1.00 0.00 N ATOM 1097 CA GLU A 71 -3.950 46.867 -4.399 1.00 0.00 C ATOM 1098 C GLU A 71 -3.352 48.100 -3.730 1.00 0.00 C ATOM 1099 O GLU A 71 -3.292 49.175 -4.330 1.00 0.00 O ATOM 1100 CB GLU A 71 -5.298 46.522 -3.762 1.00 0.00 C ATOM 1101 CG GLU A 71 -6.492 47.025 -4.559 1.00 0.00 C ATOM 1102 CD GLU A 71 -7.704 47.290 -3.689 1.00 0.00 C ATOM 1103 OE1 GLU A 71 -8.061 46.408 -2.882 1.00 0.00 O ATOM 1104 OE2 GLU A 71 -8.300 48.381 -3.816 1.00 0.00 O ATOM 0 H GLU A 71 -2.207 45.903 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.106 47.092 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.373 45.440 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.336 46.946 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.216 47.942 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.751 46.290 -5.322 1.00 0.00 H new ATOM 1111 N HIS A 72 -2.910 47.937 -2.488 1.00 0.00 N ATOM 1112 CA HIS A 72 -2.313 49.036 -1.736 1.00 0.00 C ATOM 1113 C HIS A 72 -3.314 50.168 -1.537 1.00 0.00 C ATOM 1114 O HIS A 72 -4.482 50.052 -1.911 1.00 0.00 O ATOM 1115 CB HIS A 72 -1.069 49.560 -2.459 1.00 0.00 C ATOM 1116 CG HIS A 72 0.186 48.816 -2.111 1.00 0.00 C ATOM 1117 ND1 HIS A 72 1.283 48.759 -2.947 1.00 0.00 N ATOM 1118 CD2 HIS A 72 0.512 48.088 -1.017 1.00 0.00 C ATOM 1119 CE1 HIS A 72 2.227 48.028 -2.381 1.00 0.00 C ATOM 1120 NE2 HIS A 72 1.785 47.611 -1.210 1.00 0.00 N ATOM 0 H HIS A 72 -2.954 47.054 -1.980 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.023 48.657 -0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.231 49.498 -3.535 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.935 50.614 -2.217 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.113 47.915 -0.153 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.196 47.809 -2.805 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.305 47.028 -0.554 1.00 0.00 H new ATOM 1129 N HIS A 73 -2.850 51.262 -0.945 1.00 0.00 N ATOM 1130 CA HIS A 73 -3.703 52.416 -0.697 1.00 0.00 C ATOM 1131 C HIS A 73 -3.941 53.202 -1.983 1.00 0.00 C ATOM 1132 O HIS A 73 -5.028 53.736 -2.203 1.00 0.00 O ATOM 1133 CB HIS A 73 -3.070 53.325 0.358 1.00 0.00 C ATOM 1134 CG HIS A 73 -3.359 52.905 1.763 1.00 0.00 C ATOM 1135 ND1 HIS A 73 -4.449 53.358 2.473 1.00 0.00 N ATOM 1136 CD2 HIS A 73 -2.689 52.073 2.596 1.00 0.00 C ATOM 1137 CE1 HIS A 73 -4.436 52.828 3.682 1.00 0.00 C ATOM 1138 NE2 HIS A 73 -3.379 52.042 3.782 1.00 0.00 N ATOM 0 H HIS A 73 -1.887 51.373 -0.628 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.663 52.055 -0.329 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.990 53.344 0.208 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.430 54.343 0.211 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.781 51.534 2.369 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.166 53.007 4.458 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.118 51.500 4.606 1.00 0.00 H new ATOM 1147 N HIS A 74 -2.917 53.274 -2.829 1.00 0.00 N ATOM 1148 CA HIS A 74 -3.021 54.002 -4.087 1.00 0.00 C ATOM 1149 C HIS A 74 -3.332 55.472 -3.829 1.00 0.00 C ATOM 1150 O HIS A 74 -3.999 56.127 -4.628 1.00 0.00 O ATOM 1151 CB HIS A 74 -4.103 53.385 -4.977 1.00 0.00 C ATOM 1152 CG HIS A 74 -3.563 52.436 -6.000 1.00 0.00 C ATOM 1153 ND1 HIS A 74 -2.410 52.677 -6.716 1.00 0.00 N ATOM 1154 CD2 HIS A 74 -4.022 51.233 -6.422 1.00 0.00 C ATOM 1155 CE1 HIS A 74 -2.181 51.664 -7.533 1.00 0.00 C ATOM 1156 NE2 HIS A 74 -3.144 50.776 -7.373 1.00 0.00 N ATOM 0 H HIS A 74 -2.009 52.838 -2.666 1.00 0.00 H new ATOM 0 HA HIS A 74 -2.063 53.932 -4.602 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -4.823 52.860 -4.349 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -4.645 54.184 -5.484 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.912 50.728 -6.075 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.348 51.578 -8.215 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.223 49.892 -7.875 1.00 0.00 H new ATOM 1165 N HIS A 75 -2.846 55.982 -2.701 1.00 0.00 N ATOM 1166 CA HIS A 75 -3.073 57.374 -2.331 1.00 0.00 C ATOM 1167 C HIS A 75 -2.290 58.312 -3.242 1.00 0.00 C ATOM 1168 O HIS A 75 -1.060 58.349 -3.205 1.00 0.00 O ATOM 1169 CB HIS A 75 -2.677 57.608 -0.869 1.00 0.00 C ATOM 1170 CG HIS A 75 -3.811 58.074 -0.010 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -4.197 57.424 1.143 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -4.644 59.135 -0.139 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -5.221 58.061 1.684 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -5.510 59.103 0.927 1.00 0.00 N ATOM 0 H HIS A 75 -2.293 55.452 -2.028 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.135 57.588 -2.448 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.276 56.682 -0.457 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.876 58.346 -0.832 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -4.630 59.869 -0.932 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.734 57.777 2.591 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.256 59.776 1.105 1.00 0.00 H new ATOM 1183 N HIS A 76 -3.013 59.072 -4.058 1.00 0.00 N ATOM 1184 CA HIS A 76 -2.390 60.014 -4.981 1.00 0.00 C ATOM 1185 C HIS A 76 -3.378 61.103 -5.392 1.00 0.00 C ATOM 1186 O HIS A 76 -4.565 60.840 -5.579 1.00 0.00 O ATOM 1187 CB HIS A 76 -1.869 59.283 -6.220 1.00 0.00 C ATOM 1188 CG HIS A 76 -0.916 60.098 -7.038 1.00 0.00 C ATOM 1189 ND1 HIS A 76 -1.317 61.143 -7.842 1.00 0.00 N ATOM 1190 CD2 HIS A 76 0.429 60.013 -7.179 1.00 0.00 C ATOM 1191 CE1 HIS A 76 -0.263 61.666 -8.442 1.00 0.00 C ATOM 1192 NE2 HIS A 76 0.807 60.998 -8.056 1.00 0.00 N ATOM 0 H HIS A 76 -4.032 59.054 -4.099 1.00 0.00 H new ATOM 0 HA HIS A 76 -1.550 60.484 -4.470 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.373 58.364 -5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.715 58.993 -6.844 1.00 0.00 H new ATOM 0 HD2 HIS A 76 1.081 59.303 -6.692 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.275 62.498 -9.131 1.00 0.00 H new ATOM 0 HE2 HIS A 76 1.762 61.184 -8.361 1.00 0.00 H new ATOM 1201 N HIS A 77 -2.878 62.327 -5.529 1.00 0.00 N ATOM 1202 CA HIS A 77 -3.718 63.455 -5.917 1.00 0.00 C ATOM 1203 C HIS A 77 -3.458 63.855 -7.365 1.00 0.00 C ATOM 1204 O HIS A 77 -4.442 64.057 -8.108 1.00 0.00 O ATOM 1205 CB HIS A 77 -3.466 64.650 -4.995 1.00 0.00 C ATOM 1206 CG HIS A 77 -4.356 64.677 -3.792 1.00 0.00 C ATOM 1207 ND1 HIS A 77 -3.987 65.249 -2.593 1.00 0.00 N ATOM 1208 CD2 HIS A 77 -5.605 64.189 -3.605 1.00 0.00 C ATOM 1209 CE1 HIS A 77 -4.969 65.114 -1.721 1.00 0.00 C ATOM 1210 NE2 HIS A 77 -5.962 64.473 -2.310 1.00 0.00 N ATOM 1211 OXT HIS A 77 -2.273 63.966 -7.744 1.00 0.00 O ATOM 0 H HIS A 77 -1.897 62.563 -5.377 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.759 63.146 -5.824 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.427 64.632 -4.667 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -3.606 65.571 -5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.208 63.673 -4.338 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.961 65.467 -0.700 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.851 64.228 -1.873 1.00 0.00 H new TER 1220 HIS A 77