USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 803 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 55 SER OG : rot -87:sc= 0.0532 USER MOD Set 1.2: A 63 TYR OH : rot -140:sc= 0.0164 USER MOD Set 2.1: A 41 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.22) USER MOD Set 2.2: A 78 TYR OH : rot 27:sc= 1.3 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -141:sc= 1.07 (180deg=-0.213) USER MOD Set 3.2: A 8 GLN : amide:sc= 0.674 K(o=1.8,f=-5.7) USER MOD Set 3.3: A 28 SER OG : rot 180:sc= 0.0178 USER MOD Set 4.1: A 0 MET N :NH3+ 147:sc= 0.21 (180deg=-0.171) USER MOD Set 4.2: A 2 GLN : amide:sc= -0.945! C(o=-0.73!,f=-4.8!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 15:sc= 0 USER MOD Single : A 11 SER OG : rot 48:sc= 0.172 USER MOD Single : A 13 HIS : no HD1:sc= -0.228 K(o=-0.23,f=-1) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 1.04 (180deg=0.999) USER MOD Single : A 20 SER OG : rot 40:sc= 0.0062 USER MOD Single : A 21 ASN : amide:sc= 0.81 K(o=0.81,f=-1.3) USER MOD Single : A 24 ASN : amide:sc= -0.444 K(o=-0.44,f=-5.7!) USER MOD Single : A 26 TYR OH : rot 2:sc= 0.234 USER MOD Single : A 31 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.043) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.205 K(o=0.21,f=-0.36) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.13) USER MOD Single : A 51 HIS : no HE2:sc=0.000145 X(o=0.00014,f=-0.045) USER MOD Single : A 52 SER OG : rot 82:sc= 0.803 USER MOD Single : A 57 SER OG : rot -29:sc= 1.05 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.116 USER MOD Single : A 66 TYR OH : rot 60:sc= -0.572 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 72:sc= 0.745 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -82:sc= 0.829 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.618 K(o=0.62,f=-0.57) USER MOD Single : A 84 HIS : no HD1:sc= -0.454 K(o=-0.45,f=-10!) USER MOD Single : A 86 THR OG1 : rot 110:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000432) USER MOD Single : A 94 LYS NZ :NH3+ 148:sc= 0.618 (180deg=0.147) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -5.252 -21.596 -6.493 1.00 0.00 N ATOM 2 CA MET A 0 -5.539 -22.479 -5.348 1.00 0.00 C ATOM 3 C MET A 0 -4.496 -22.290 -4.244 1.00 0.00 C ATOM 4 O MET A 0 -3.356 -21.929 -4.529 1.00 0.00 O ATOM 5 CB MET A 0 -5.670 -23.947 -5.777 1.00 0.00 C ATOM 6 CG MET A 0 -6.836 -24.131 -6.759 1.00 0.00 C ATOM 7 SD MET A 0 -7.257 -25.852 -7.133 1.00 0.00 S ATOM 8 CE MET A 0 -8.635 -25.584 -8.277 1.00 0.00 C ATOM 0 H1 MET A 0 -5.543 -22.065 -7.375 1.00 0.00 H new ATOM 0 H2 MET A 0 -5.778 -20.705 -6.385 1.00 0.00 H new ATOM 0 H3 MET A 0 -4.232 -21.394 -6.528 1.00 0.00 H new ATOM 0 HA MET A 0 -6.507 -22.193 -4.938 1.00 0.00 H new ATOM 0 HB2 MET A 0 -4.742 -24.278 -6.243 1.00 0.00 H new ATOM 0 HB3 MET A 0 -5.827 -24.574 -4.899 1.00 0.00 H new ATOM 0 HG2 MET A 0 -7.718 -23.638 -6.349 1.00 0.00 H new ATOM 0 HG3 MET A 0 -6.590 -23.622 -7.691 1.00 0.00 H new ATOM 0 HE1 MET A 0 -9.022 -26.546 -8.612 1.00 0.00 H new ATOM 0 HE2 MET A 0 -9.426 -25.031 -7.770 1.00 0.00 H new ATOM 0 HE3 MET A 0 -8.287 -25.013 -9.138 1.00 0.00 H new ATOM 20 N ILE A 1 -4.917 -22.491 -2.987 1.00 0.00 N ATOM 21 CA ILE A 1 -4.192 -22.110 -1.776 1.00 0.00 C ATOM 22 C ILE A 1 -3.709 -20.656 -1.894 1.00 0.00 C ATOM 23 O ILE A 1 -2.553 -20.345 -1.620 1.00 0.00 O ATOM 24 CB ILE A 1 -3.096 -23.130 -1.391 1.00 0.00 C ATOM 25 CG1 ILE A 1 -3.614 -24.581 -1.472 1.00 0.00 C ATOM 26 CG2 ILE A 1 -2.617 -22.911 0.058 1.00 0.00 C ATOM 27 CD1 ILE A 1 -3.214 -25.276 -2.774 1.00 0.00 C ATOM 0 H ILE A 1 -5.809 -22.942 -2.783 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.875 -22.143 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.282 -22.976 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.226 -25.149 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.700 -24.581 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -1.846 -23.643 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -2.207 -21.906 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.458 -23.030 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -3.604 -26.294 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -3.625 -24.726 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.127 -25.304 -2.852 1.00 0.00 H new ATOM 39 N GLN A 2 -4.611 -19.764 -2.326 1.00 0.00 N ATOM 40 CA GLN A 2 -4.329 -18.345 -2.464 1.00 0.00 C ATOM 41 C GLN A 2 -4.532 -17.667 -1.114 1.00 0.00 C ATOM 42 O GLN A 2 -5.613 -17.733 -0.531 1.00 0.00 O ATOM 43 CB GLN A 2 -5.155 -17.676 -3.577 1.00 0.00 C ATOM 44 CG GLN A 2 -6.679 -17.874 -3.529 1.00 0.00 C ATOM 45 CD GLN A 2 -7.102 -19.242 -4.052 1.00 0.00 C ATOM 46 OE1 GLN A 2 -6.776 -19.601 -5.180 1.00 0.00 O ATOM 47 NE2 GLN A 2 -7.816 -20.017 -3.233 1.00 0.00 N ATOM 0 H GLN A 2 -5.563 -20.018 -2.590 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.290 -18.229 -2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.951 -16.605 -3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.795 -18.048 -4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.026 -17.757 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.163 -17.096 -4.120 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.067 -19.682 -2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.111 -20.945 -3.537 1.00 0.00 H new ATOM 56 N ARG A 3 -3.474 -17.027 -0.616 1.00 0.00 N ATOM 57 CA ARG A 3 -3.501 -16.285 0.629 1.00 0.00 C ATOM 58 C ARG A 3 -3.951 -14.850 0.346 1.00 0.00 C ATOM 59 O ARG A 3 -3.559 -14.261 -0.662 1.00 0.00 O ATOM 60 CB ARG A 3 -2.107 -16.323 1.245 1.00 0.00 C ATOM 61 CG ARG A 3 -1.709 -17.743 1.663 1.00 0.00 C ATOM 62 CD ARG A 3 -0.317 -17.660 2.284 1.00 0.00 C ATOM 63 NE ARG A 3 0.221 -18.963 2.680 1.00 0.00 N ATOM 64 CZ ARG A 3 1.346 -19.073 3.404 1.00 0.00 C ATOM 65 NH1 ARG A 3 2.031 -17.973 3.742 1.00 0.00 N ATOM 66 NH2 ARG A 3 1.779 -20.277 3.797 1.00 0.00 N ATOM 0 H ARG A 3 -2.565 -17.014 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.205 -16.727 1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.382 -15.938 0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.075 -15.666 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.425 -18.148 2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.706 -18.411 0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.364 -17.195 1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.355 -17.010 3.158 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.272 -19.810 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.698 -17.055 3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.886 -18.054 4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.254 -21.115 3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.634 -20.357 4.347 1.00 0.00 H new ATOM 80 N THR A 4 -4.784 -14.295 1.232 1.00 0.00 N ATOM 81 CA THR A 4 -5.335 -12.954 1.086 1.00 0.00 C ATOM 82 C THR A 4 -4.272 -11.928 1.510 1.00 0.00 C ATOM 83 O THR A 4 -3.597 -12.150 2.515 1.00 0.00 O ATOM 84 CB THR A 4 -6.607 -12.842 1.946 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.507 -13.877 1.605 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.336 -11.506 1.764 1.00 0.00 C ATOM 0 H THR A 4 -5.095 -14.773 2.078 1.00 0.00 H new ATOM 0 HA THR A 4 -5.605 -12.754 0.049 1.00 0.00 H new ATOM 0 HB THR A 4 -6.284 -12.917 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.314 -13.803 2.156 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.224 -11.487 2.396 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.673 -10.688 2.046 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.630 -11.391 0.721 1.00 0.00 H new ATOM 94 N PRO A 5 -4.103 -10.810 0.779 1.00 0.00 N ATOM 95 CA PRO A 5 -3.170 -9.756 1.149 1.00 0.00 C ATOM 96 C PRO A 5 -3.638 -9.048 2.421 1.00 0.00 C ATOM 97 O PRO A 5 -4.585 -8.264 2.384 1.00 0.00 O ATOM 98 CB PRO A 5 -3.109 -8.815 -0.059 1.00 0.00 C ATOM 99 CG PRO A 5 -4.461 -9.009 -0.739 1.00 0.00 C ATOM 100 CD PRO A 5 -4.773 -10.480 -0.469 1.00 0.00 C ATOM 0 HA PRO A 5 -2.177 -10.142 1.380 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.960 -7.780 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.285 -9.072 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.222 -8.351 -0.319 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.410 -8.797 -1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.848 -10.643 -0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.415 -11.111 -1.283 1.00 0.00 H new ATOM 108 N LYS A 6 -2.961 -9.318 3.545 1.00 0.00 N ATOM 109 CA LYS A 6 -3.188 -8.628 4.799 1.00 0.00 C ATOM 110 C LYS A 6 -2.537 -7.250 4.704 1.00 0.00 C ATOM 111 O LYS A 6 -1.313 -7.142 4.661 1.00 0.00 O ATOM 112 CB LYS A 6 -2.619 -9.434 5.974 1.00 0.00 C ATOM 113 CG LYS A 6 -3.048 -8.775 7.292 1.00 0.00 C ATOM 114 CD LYS A 6 -2.158 -9.205 8.463 1.00 0.00 C ATOM 115 CE LYS A 6 -2.569 -8.516 9.772 1.00 0.00 C ATOM 116 NZ LYS A 6 -2.484 -7.046 9.681 1.00 0.00 N ATOM 0 H LYS A 6 -2.234 -10.032 3.598 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.257 -8.517 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.979 -10.462 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.532 -9.474 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.009 -7.691 7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.084 -9.037 7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.217 -10.286 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.119 -8.966 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.589 -8.804 10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.928 -8.866 10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.117 -6.663 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.845 -6.783 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.430 -6.654 9.499 1.00 0.00 H new ATOM 130 N ILE A 7 -3.375 -6.212 4.683 1.00 0.00 N ATOM 131 CA ILE A 7 -2.975 -4.818 4.615 1.00 0.00 C ATOM 132 C ILE A 7 -2.702 -4.269 6.019 1.00 0.00 C ATOM 133 O ILE A 7 -3.450 -4.561 6.952 1.00 0.00 O ATOM 134 CB ILE A 7 -4.053 -3.995 3.881 1.00 0.00 C ATOM 135 CG1 ILE A 7 -5.355 -3.716 4.663 1.00 0.00 C ATOM 136 CG2 ILE A 7 -4.362 -4.603 2.506 1.00 0.00 C ATOM 137 CD1 ILE A 7 -6.173 -4.931 5.122 1.00 0.00 C ATOM 0 H ILE A 7 -4.388 -6.331 4.714 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.048 -4.739 4.048 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.599 -3.011 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.100 -3.128 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.996 -3.093 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.125 -4.006 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.456 -4.613 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.725 -5.623 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.059 -4.591 5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.476 -5.515 4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.565 -5.551 5.782 1.00 0.00 H new ATOM 149 N GLN A 8 -1.647 -3.460 6.175 1.00 0.00 N ATOM 150 CA GLN A 8 -1.403 -2.669 7.355 1.00 0.00 C ATOM 151 C GLN A 8 -0.789 -1.335 6.909 1.00 0.00 C ATOM 152 O GLN A 8 0.425 -1.150 6.950 1.00 0.00 O ATOM 153 CB GLN A 8 -0.539 -3.470 8.336 1.00 0.00 C ATOM 154 CG GLN A 8 0.631 -4.271 7.740 1.00 0.00 C ATOM 155 CD GLN A 8 0.263 -5.641 7.172 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.729 -6.247 7.570 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.093 -6.150 6.261 1.00 0.00 N ATOM 0 H GLN A 8 -0.931 -3.345 5.458 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.320 -2.436 7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.135 -2.778 9.075 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.188 -4.164 8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.089 -3.679 6.948 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.387 -4.408 8.513 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.906 -5.615 5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.915 -7.074 5.869 1.00 0.00 H new ATOM 166 N VAL A 9 -1.646 -0.413 6.447 1.00 0.00 N ATOM 167 CA VAL A 9 -1.250 0.874 5.887 1.00 0.00 C ATOM 168 C VAL A 9 -1.036 1.889 7.014 1.00 0.00 C ATOM 169 O VAL A 9 -1.881 2.012 7.900 1.00 0.00 O ATOM 170 CB VAL A 9 -2.306 1.351 4.874 1.00 0.00 C ATOM 171 CG1 VAL A 9 -1.905 2.693 4.249 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.500 0.326 3.747 1.00 0.00 C ATOM 0 H VAL A 9 -2.657 -0.551 6.456 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.305 0.770 5.354 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.240 1.467 5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.669 3.006 3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.809 3.445 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.951 2.583 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.252 0.692 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.556 0.180 3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.830 -0.623 4.171 1.00 0.00 H new ATOM 182 N TYR A 10 0.104 2.591 6.982 1.00 0.00 N ATOM 183 CA TYR A 10 0.585 3.435 8.069 1.00 0.00 C ATOM 184 C TYR A 10 0.763 4.890 7.638 1.00 0.00 C ATOM 185 O TYR A 10 1.023 5.181 6.470 1.00 0.00 O ATOM 186 CB TYR A 10 1.947 2.916 8.543 1.00 0.00 C ATOM 187 CG TYR A 10 2.026 1.429 8.817 1.00 0.00 C ATOM 188 CD1 TYR A 10 1.145 0.830 9.735 1.00 0.00 C ATOM 189 CD2 TYR A 10 3.038 0.660 8.211 1.00 0.00 C ATOM 190 CE1 TYR A 10 1.302 -0.525 10.073 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.200 -0.691 8.556 1.00 0.00 C ATOM 192 CZ TYR A 10 2.352 -1.275 9.513 1.00 0.00 C ATOM 193 OH TYR A 10 2.552 -2.565 9.906 1.00 0.00 O ATOM 0 H TYR A 10 0.729 2.583 6.176 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.161 3.397 8.863 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.693 3.168 7.789 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.221 3.449 9.453 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.350 1.410 10.179 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.691 1.111 7.479 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.615 -0.991 10.764 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.974 -1.280 8.087 1.00 0.00 H new ATOM 0 HH TYR A 10 1.761 -2.887 10.386 1.00 0.00 H new ATOM 203 N SER A 11 0.718 5.776 8.637 1.00 0.00 N ATOM 204 CA SER A 11 1.223 7.139 8.581 1.00 0.00 C ATOM 205 C SER A 11 2.615 7.125 9.212 1.00 0.00 C ATOM 206 O SER A 11 2.739 7.059 10.433 1.00 0.00 O ATOM 207 CB SER A 11 0.271 8.081 9.328 1.00 0.00 C ATOM 208 OG SER A 11 -0.138 7.533 10.565 1.00 0.00 O ATOM 0 H SER A 11 0.310 5.547 9.543 1.00 0.00 H new ATOM 0 HA SER A 11 1.286 7.502 7.555 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.764 9.038 9.499 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.605 8.280 8.710 1.00 0.00 H new ATOM 0 HG SER A 11 0.645 7.195 11.048 1.00 0.00 H new ATOM 214 N ARG A 12 3.666 7.145 8.383 1.00 0.00 N ATOM 215 CA ARG A 12 5.039 7.047 8.859 1.00 0.00 C ATOM 216 C ARG A 12 5.413 8.351 9.567 1.00 0.00 C ATOM 217 O ARG A 12 5.865 8.332 10.711 1.00 0.00 O ATOM 218 CB ARG A 12 5.965 6.760 7.675 1.00 0.00 C ATOM 219 CG ARG A 12 7.371 6.310 8.088 1.00 0.00 C ATOM 220 CD ARG A 12 8.335 6.555 6.920 1.00 0.00 C ATOM 221 NE ARG A 12 9.485 5.644 6.944 1.00 0.00 N ATOM 222 CZ ARG A 12 10.365 5.513 5.935 1.00 0.00 C ATOM 223 NH1 ARG A 12 10.273 6.282 4.840 1.00 0.00 N ATOM 224 NH2 ARG A 12 11.345 4.604 6.024 1.00 0.00 N ATOM 0 H ARG A 12 3.583 7.229 7.370 1.00 0.00 H new ATOM 0 HA ARG A 12 5.143 6.229 9.572 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.514 5.988 7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.046 7.658 7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.699 6.861 8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.365 5.254 8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.799 6.435 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.690 7.585 6.955 1.00 0.00 H new ATOM 0 HE ARG A 12 9.626 5.074 7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.529 6.976 4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.947 6.173 4.082 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.421 4.016 6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.015 4.500 5.262 1.00 0.00 H new ATOM 238 N HIS A 13 5.186 9.476 8.879 1.00 0.00 N ATOM 239 CA HIS A 13 5.291 10.823 9.423 1.00 0.00 C ATOM 240 C HIS A 13 3.880 11.301 9.793 1.00 0.00 C ATOM 241 O HIS A 13 2.903 10.806 9.229 1.00 0.00 O ATOM 242 CB HIS A 13 5.917 11.747 8.374 1.00 0.00 C ATOM 243 CG HIS A 13 7.382 11.511 8.105 1.00 0.00 C ATOM 244 ND1 HIS A 13 8.000 10.282 8.344 1.00 0.00 N ATOM 245 CD2 HIS A 13 8.311 12.378 7.591 1.00 0.00 C ATOM 246 CE1 HIS A 13 9.273 10.461 7.981 1.00 0.00 C ATOM 247 NE2 HIS A 13 9.510 11.700 7.521 1.00 0.00 N ATOM 0 H HIS A 13 4.915 9.467 7.896 1.00 0.00 H new ATOM 0 HA HIS A 13 5.924 10.834 10.311 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.369 11.633 7.439 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.785 12.780 8.697 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.136 13.402 7.296 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.029 9.693 8.050 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.401 12.067 7.186 1.00 0.00 H new ATOM 255 N PRO A 14 3.748 12.256 10.729 1.00 0.00 N ATOM 256 CA PRO A 14 2.463 12.805 11.128 1.00 0.00 C ATOM 257 C PRO A 14 1.999 13.798 10.060 1.00 0.00 C ATOM 258 O PRO A 14 2.762 14.687 9.688 1.00 0.00 O ATOM 259 CB PRO A 14 2.725 13.488 12.471 1.00 0.00 C ATOM 260 CG PRO A 14 4.181 13.945 12.361 1.00 0.00 C ATOM 261 CD PRO A 14 4.831 12.878 11.477 1.00 0.00 C ATOM 0 HA PRO A 14 1.678 12.056 11.226 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.051 14.330 12.632 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.582 12.801 13.305 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.257 14.936 11.914 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.658 14.000 13.339 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.563 13.323 10.804 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.360 12.141 12.081 1.00 0.00 H new ATOM 269 N ALA A 15 0.768 13.635 9.556 1.00 0.00 N ATOM 270 CA ALA A 15 0.248 14.418 8.439 1.00 0.00 C ATOM 271 C ALA A 15 0.325 15.918 8.717 1.00 0.00 C ATOM 272 O ALA A 15 0.108 16.364 9.843 1.00 0.00 O ATOM 273 CB ALA A 15 -1.186 14.002 8.119 1.00 0.00 C ATOM 0 H ALA A 15 0.105 12.950 9.918 1.00 0.00 H new ATOM 0 HA ALA A 15 0.875 14.214 7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.559 14.595 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.207 12.945 7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.817 14.168 8.992 1.00 0.00 H new ATOM 279 N GLU A 16 0.681 16.678 7.678 1.00 0.00 N ATOM 280 CA GLU A 16 1.121 18.058 7.798 1.00 0.00 C ATOM 281 C GLU A 16 0.817 18.772 6.482 1.00 0.00 C ATOM 282 O GLU A 16 1.426 18.467 5.458 1.00 0.00 O ATOM 283 CB GLU A 16 2.619 18.041 8.127 1.00 0.00 C ATOM 284 CG GLU A 16 3.154 19.399 8.586 1.00 0.00 C ATOM 285 CD GLU A 16 4.646 19.333 8.916 1.00 0.00 C ATOM 286 OE1 GLU A 16 5.164 18.204 9.074 1.00 0.00 O ATOM 287 OE2 GLU A 16 5.256 20.420 8.993 1.00 0.00 O ATOM 0 H GLU A 16 0.669 16.340 6.716 1.00 0.00 H new ATOM 0 HA GLU A 16 0.604 18.595 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.804 17.303 8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.174 17.719 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.986 20.140 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.601 19.731 9.464 1.00 0.00 H new ATOM 294 N ASN A 17 -0.166 19.682 6.508 1.00 0.00 N ATOM 295 CA ASN A 17 -0.747 20.285 5.321 1.00 0.00 C ATOM 296 C ASN A 17 0.312 20.963 4.452 1.00 0.00 C ATOM 297 O ASN A 17 0.994 21.878 4.910 1.00 0.00 O ATOM 298 CB ASN A 17 -1.844 21.277 5.721 1.00 0.00 C ATOM 299 CG ASN A 17 -3.057 20.570 6.322 1.00 0.00 C ATOM 300 OD1 ASN A 17 -3.920 20.087 5.592 1.00 0.00 O ATOM 301 ND2 ASN A 17 -3.127 20.504 7.653 1.00 0.00 N ATOM 0 H ASN A 17 -0.581 20.020 7.376 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.190 19.490 4.721 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.444 21.989 6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.153 21.849 4.846 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.918 20.040 8.100 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.390 20.918 8.224 1.00 0.00 H new ATOM 308 N GLY A 18 0.452 20.507 3.201 1.00 0.00 N ATOM 309 CA GLY A 18 1.323 21.118 2.205 1.00 0.00 C ATOM 310 C GLY A 18 2.790 20.693 2.323 1.00 0.00 C ATOM 311 O GLY A 18 3.512 20.720 1.327 1.00 0.00 O ATOM 0 H GLY A 18 -0.048 19.689 2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.959 20.861 1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.260 22.202 2.297 1.00 0.00 H new ATOM 315 N LYS A 19 3.241 20.321 3.526 1.00 0.00 N ATOM 316 CA LYS A 19 4.631 20.013 3.825 1.00 0.00 C ATOM 317 C LYS A 19 4.859 18.514 3.692 1.00 0.00 C ATOM 318 O LYS A 19 4.219 17.700 4.356 1.00 0.00 O ATOM 319 CB LYS A 19 4.946 20.503 5.230 1.00 0.00 C ATOM 320 CG LYS A 19 6.389 20.349 5.738 1.00 0.00 C ATOM 321 CD LYS A 19 6.702 18.899 6.140 1.00 0.00 C ATOM 322 CE LYS A 19 7.752 18.782 7.252 1.00 0.00 C ATOM 323 NZ LYS A 19 7.634 17.494 7.956 1.00 0.00 N ATOM 0 H LYS A 19 2.628 20.225 4.335 1.00 0.00 H new ATOM 0 HA LYS A 19 5.297 20.515 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.684 21.560 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.289 19.977 5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.084 20.669 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.545 21.005 6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.782 18.415 6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.052 18.355 5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.751 18.877 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.629 19.601 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.426 17.388 8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.736 17.465 8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.657 16.717 7.265 1.00 0.00 H new ATOM 337 N SER A 20 5.790 18.195 2.800 1.00 0.00 N ATOM 338 CA SER A 20 6.084 16.844 2.339 1.00 0.00 C ATOM 339 C SER A 20 6.313 15.879 3.499 1.00 0.00 C ATOM 340 O SER A 20 7.153 16.111 4.367 1.00 0.00 O ATOM 341 CB SER A 20 7.292 16.848 1.404 1.00 0.00 C ATOM 342 OG SER A 20 8.365 17.601 1.933 1.00 0.00 O ATOM 0 H SER A 20 6.384 18.899 2.361 1.00 0.00 H new ATOM 0 HA SER A 20 5.210 16.493 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.619 15.823 1.229 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.002 17.259 0.437 1.00 0.00 H new ATOM 0 HG SER A 20 8.436 17.437 2.896 1.00 0.00 H new ATOM 348 N ASN A 21 5.528 14.805 3.504 1.00 0.00 N ATOM 349 CA ASN A 21 5.378 13.899 4.634 1.00 0.00 C ATOM 350 C ASN A 21 5.926 12.521 4.232 1.00 0.00 C ATOM 351 O ASN A 21 6.832 12.458 3.400 1.00 0.00 O ATOM 352 CB ASN A 21 3.892 13.918 5.031 1.00 0.00 C ATOM 353 CG ASN A 21 3.671 13.929 6.535 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.222 12.942 7.110 1.00 0.00 O ATOM 355 ND2 ASN A 21 3.958 15.067 7.165 1.00 0.00 N ATOM 0 H ASN A 21 4.964 14.535 2.698 1.00 0.00 H new ATOM 0 HA ASN A 21 5.949 14.195 5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.418 14.797 4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.398 13.045 4.605 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.806 15.146 8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.330 15.860 6.642 1.00 0.00 H new ATOM 362 N PHE A 22 5.409 11.417 4.791 1.00 0.00 N ATOM 363 CA PHE A 22 5.817 10.077 4.381 1.00 0.00 C ATOM 364 C PHE A 22 4.746 9.054 4.768 1.00 0.00 C ATOM 365 O PHE A 22 4.343 8.992 5.930 1.00 0.00 O ATOM 366 CB PHE A 22 7.191 9.721 4.972 1.00 0.00 C ATOM 367 CG PHE A 22 8.228 9.276 3.960 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.962 8.199 3.093 1.00 0.00 C ATOM 369 CD2 PHE A 22 9.427 10.000 3.828 1.00 0.00 C ATOM 370 CE1 PHE A 22 8.850 7.908 2.042 1.00 0.00 C ATOM 371 CE2 PHE A 22 10.340 9.671 2.812 1.00 0.00 C ATOM 372 CZ PHE A 22 10.029 8.657 1.891 1.00 0.00 C ATOM 0 H PHE A 22 4.706 11.432 5.530 1.00 0.00 H new ATOM 0 HA PHE A 22 5.918 10.055 3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.576 10.590 5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.059 8.927 5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.077 7.597 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.646 10.810 4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.626 7.109 1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.280 10.197 2.739 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.696 8.453 1.067 1.00 0.00 H new ATOM 382 N LEU A 23 4.270 8.288 3.775 1.00 0.00 N ATOM 383 CA LEU A 23 3.276 7.227 3.921 1.00 0.00 C ATOM 384 C LEU A 23 3.903 5.879 3.586 1.00 0.00 C ATOM 385 O LEU A 23 4.738 5.800 2.686 1.00 0.00 O ATOM 386 CB LEU A 23 2.080 7.480 2.986 1.00 0.00 C ATOM 387 CG LEU A 23 0.742 7.029 3.581 1.00 0.00 C ATOM 388 CD1 LEU A 23 0.298 7.979 4.697 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.343 7.017 2.501 1.00 0.00 C ATOM 0 H LEU A 23 4.583 8.400 2.811 1.00 0.00 H new ATOM 0 HA LEU A 23 2.926 7.220 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.027 8.544 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.246 6.957 2.044 1.00 0.00 H new ATOM 0 HG LEU A 23 0.881 6.026 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.654 7.640 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.049 7.989 5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.183 8.985 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.288 6.695 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.457 8.020 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.057 6.328 1.706 1.00 0.00 H new ATOM 401 N ASN A 24 3.477 4.828 4.300 1.00 0.00 N ATOM 402 CA ASN A 24 3.950 3.462 4.128 1.00 0.00 C ATOM 403 C ASN A 24 2.751 2.523 4.010 1.00 0.00 C ATOM 404 O ASN A 24 2.192 2.122 5.030 1.00 0.00 O ATOM 405 CB ASN A 24 4.805 3.044 5.330 1.00 0.00 C ATOM 406 CG ASN A 24 6.192 3.682 5.393 1.00 0.00 C ATOM 407 OD1 ASN A 24 6.437 4.737 4.816 1.00 0.00 O ATOM 408 ND2 ASN A 24 7.117 3.045 6.115 1.00 0.00 N ATOM 0 H ASN A 24 2.773 4.915 5.033 1.00 0.00 H new ATOM 0 HA ASN A 24 4.556 3.406 3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.266 3.293 6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.921 1.960 5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.056 3.434 6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.884 2.169 6.584 1.00 0.00 H new ATOM 415 N CYS A 25 2.392 2.114 2.786 1.00 0.00 N ATOM 416 CA CYS A 25 1.521 0.958 2.620 1.00 0.00 C ATOM 417 C CYS A 25 2.397 -0.265 2.831 1.00 0.00 C ATOM 418 O CYS A 25 3.449 -0.363 2.207 1.00 0.00 O ATOM 419 CB CYS A 25 0.854 0.891 1.240 1.00 0.00 C ATOM 420 SG CYS A 25 -0.015 2.388 0.721 1.00 0.00 S ATOM 0 H CYS A 25 2.687 2.560 1.917 1.00 0.00 H new ATOM 0 HA CYS A 25 0.702 1.019 3.336 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.618 0.660 0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.146 0.062 1.238 1.00 0.00 H new ATOM 425 N TYR A 26 1.980 -1.175 3.711 1.00 0.00 N ATOM 426 CA TYR A 26 2.658 -2.439 3.927 1.00 0.00 C ATOM 427 C TYR A 26 1.616 -3.533 3.766 1.00 0.00 C ATOM 428 O TYR A 26 0.520 -3.420 4.310 1.00 0.00 O ATOM 429 CB TYR A 26 3.308 -2.454 5.317 1.00 0.00 C ATOM 430 CG TYR A 26 4.045 -3.735 5.675 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.839 -4.403 4.725 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.939 -4.264 6.971 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.366 -5.673 5.010 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.446 -5.544 7.257 1.00 0.00 C ATOM 435 CZ TYR A 26 5.152 -6.255 6.272 1.00 0.00 C ATOM 436 OH TYR A 26 5.638 -7.499 6.549 1.00 0.00 O ATOM 0 H TYR A 26 1.154 -1.048 4.296 1.00 0.00 H new ATOM 0 HA TYR A 26 3.463 -2.595 3.209 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.008 -1.621 5.382 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.534 -2.279 6.064 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.044 -3.937 3.772 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.466 -3.686 7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.935 -6.202 4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.293 -5.980 8.233 1.00 0.00 H new ATOM 0 HH TYR A 26 6.136 -7.835 5.775 1.00 0.00 H new ATOM 446 N VAL A 27 1.943 -4.564 2.983 1.00 0.00 N ATOM 447 CA VAL A 27 1.061 -5.685 2.713 1.00 0.00 C ATOM 448 C VAL A 27 1.883 -6.948 2.916 1.00 0.00 C ATOM 449 O VAL A 27 3.043 -6.980 2.507 1.00 0.00 O ATOM 450 CB VAL A 27 0.516 -5.631 1.273 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.642 -6.619 1.108 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.009 -4.254 0.889 1.00 0.00 C ATOM 0 H VAL A 27 2.846 -4.637 2.514 1.00 0.00 H new ATOM 0 HA VAL A 27 0.199 -5.660 3.380 1.00 0.00 H new ATOM 0 HB VAL A 27 1.357 -5.883 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.018 -6.571 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.291 -7.629 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.442 -6.361 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.379 -4.279 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.820 -3.973 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.796 -3.523 0.966 1.00 0.00 H new ATOM 462 N SER A 28 1.292 -7.982 3.523 1.00 0.00 N ATOM 463 CA SER A 28 1.945 -9.271 3.674 1.00 0.00 C ATOM 464 C SER A 28 0.939 -10.420 3.718 1.00 0.00 C ATOM 465 O SER A 28 -0.265 -10.206 3.597 1.00 0.00 O ATOM 466 CB SER A 28 2.876 -9.259 4.902 1.00 0.00 C ATOM 467 OG SER A 28 2.137 -9.044 6.087 1.00 0.00 O ATOM 0 H SER A 28 0.353 -7.942 3.919 1.00 0.00 H new ATOM 0 HA SER A 28 2.561 -9.446 2.792 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.411 -10.206 4.968 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.626 -8.476 4.788 1.00 0.00 H new ATOM 0 HG SER A 28 2.745 -9.041 6.856 1.00 0.00 H new ATOM 473 N GLY A 29 1.450 -11.648 3.873 1.00 0.00 N ATOM 474 CA GLY A 29 0.652 -12.853 4.016 1.00 0.00 C ATOM 475 C GLY A 29 0.410 -13.545 2.675 1.00 0.00 C ATOM 476 O GLY A 29 0.433 -14.771 2.619 1.00 0.00 O ATOM 0 H GLY A 29 2.454 -11.826 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.156 -13.542 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.306 -12.601 4.471 1.00 0.00 H new ATOM 480 N PHE A 30 0.166 -12.763 1.614 1.00 0.00 N ATOM 481 CA PHE A 30 -0.244 -13.224 0.288 1.00 0.00 C ATOM 482 C PHE A 30 0.802 -14.125 -0.391 1.00 0.00 C ATOM 483 O PHE A 30 1.827 -14.441 0.207 1.00 0.00 O ATOM 484 CB PHE A 30 -0.623 -12.017 -0.574 1.00 0.00 C ATOM 485 CG PHE A 30 0.505 -11.038 -0.830 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.389 -11.279 -1.894 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.677 -9.890 -0.031 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.454 -10.409 -2.151 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.743 -9.014 -0.290 1.00 0.00 C ATOM 490 CZ PHE A 30 2.631 -9.284 -1.341 1.00 0.00 C ATOM 0 H PHE A 30 0.254 -11.748 1.663 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.120 -13.861 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.998 -12.376 -1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.443 -11.486 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.245 -12.146 -2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.009 -9.685 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.133 -10.605 -2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.879 -8.133 0.320 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.459 -8.616 -1.526 1.00 0.00 H new ATOM 500 N HIS A 31 0.528 -14.573 -1.628 1.00 0.00 N ATOM 501 CA HIS A 31 1.263 -15.626 -2.314 1.00 0.00 C ATOM 502 C HIS A 31 0.476 -15.904 -3.609 1.00 0.00 C ATOM 503 O HIS A 31 -0.717 -16.185 -3.507 1.00 0.00 O ATOM 504 CB HIS A 31 1.292 -16.862 -1.391 1.00 0.00 C ATOM 505 CG HIS A 31 1.197 -18.198 -2.072 1.00 0.00 C ATOM 506 ND1 HIS A 31 0.324 -19.190 -1.628 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.881 -18.662 -3.158 1.00 0.00 C ATOM 508 CE1 HIS A 31 0.511 -20.207 -2.475 1.00 0.00 C ATOM 509 NE2 HIS A 31 1.437 -19.941 -3.410 1.00 0.00 N ATOM 0 H HIS A 31 -0.236 -14.195 -2.187 1.00 0.00 H new ATOM 0 HA HIS A 31 2.293 -15.359 -2.550 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.216 -16.837 -0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.469 -16.779 -0.681 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.633 -18.125 -3.717 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.025 -21.142 -2.414 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.749 -20.562 -4.157 1.00 0.00 H new ATOM 517 N PRO A 32 1.071 -15.838 -4.818 1.00 0.00 N ATOM 518 CA PRO A 32 2.486 -15.658 -5.116 1.00 0.00 C ATOM 519 C PRO A 32 2.849 -14.166 -5.148 1.00 0.00 C ATOM 520 O PRO A 32 2.360 -13.401 -4.321 1.00 0.00 O ATOM 521 CB PRO A 32 2.665 -16.397 -6.450 1.00 0.00 C ATOM 522 CG PRO A 32 1.383 -16.016 -7.184 1.00 0.00 C ATOM 523 CD PRO A 32 0.351 -16.113 -6.058 1.00 0.00 C ATOM 0 HA PRO A 32 3.165 -16.060 -4.364 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.556 -16.069 -6.984 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.754 -17.475 -6.313 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.435 -15.013 -7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.161 -16.698 -8.005 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.456 -15.395 -6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.104 -17.103 -6.032 1.00 0.00 H new ATOM 531 N SER A 33 3.741 -13.754 -6.056 1.00 0.00 N ATOM 532 CA SER A 33 4.481 -12.507 -5.947 1.00 0.00 C ATOM 533 C SER A 33 3.720 -11.271 -6.427 1.00 0.00 C ATOM 534 O SER A 33 3.916 -10.191 -5.873 1.00 0.00 O ATOM 535 CB SER A 33 5.804 -12.651 -6.705 1.00 0.00 C ATOM 536 OG SER A 33 5.587 -12.803 -8.093 1.00 0.00 O ATOM 0 H SER A 33 3.967 -14.289 -6.895 1.00 0.00 H new ATOM 0 HA SER A 33 4.653 -12.335 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.425 -11.774 -6.526 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.352 -13.513 -6.324 1.00 0.00 H new ATOM 0 HG SER A 33 6.449 -12.891 -8.551 1.00 0.00 H new ATOM 542 N ASP A 34 2.927 -11.404 -7.494 1.00 0.00 N ATOM 543 CA ASP A 34 2.541 -10.274 -8.324 1.00 0.00 C ATOM 544 C ASP A 34 1.388 -9.475 -7.712 1.00 0.00 C ATOM 545 O ASP A 34 0.264 -9.966 -7.647 1.00 0.00 O ATOM 546 CB ASP A 34 2.207 -10.787 -9.727 1.00 0.00 C ATOM 547 CG ASP A 34 1.743 -9.661 -10.645 1.00 0.00 C ATOM 548 OD1 ASP A 34 2.509 -8.682 -10.774 1.00 0.00 O ATOM 549 OD2 ASP A 34 0.632 -9.802 -11.201 1.00 0.00 O ATOM 0 H ASP A 34 2.539 -12.296 -7.800 1.00 0.00 H new ATOM 0 HA ASP A 34 3.376 -9.576 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.085 -11.268 -10.157 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.428 -11.547 -9.661 1.00 0.00 H new ATOM 554 N ILE A 35 1.681 -8.246 -7.262 1.00 0.00 N ATOM 555 CA ILE A 35 0.717 -7.339 -6.647 1.00 0.00 C ATOM 556 C ILE A 35 0.964 -5.893 -7.077 1.00 0.00 C ATOM 557 O ILE A 35 2.099 -5.483 -7.318 1.00 0.00 O ATOM 558 CB ILE A 35 0.718 -7.541 -5.121 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.287 -6.679 -4.343 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.096 -7.332 -4.522 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.484 -7.211 -2.919 1.00 0.00 C ATOM 0 H ILE A 35 2.620 -7.851 -7.320 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.287 -7.575 -6.999 1.00 0.00 H new ATOM 0 HB ILE A 35 0.402 -8.578 -5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.067 -5.649 -4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.243 -6.668 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.051 -7.484 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.795 -8.044 -4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.434 -6.317 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.201 -6.582 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.861 -8.233 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.469 -7.197 -2.390 1.00 0.00 H new ATOM 573 N GLU A 36 -0.138 -5.150 -7.196 1.00 0.00 N ATOM 574 CA GLU A 36 -0.244 -3.849 -7.841 1.00 0.00 C ATOM 575 C GLU A 36 -0.727 -2.813 -6.826 1.00 0.00 C ATOM 576 O GLU A 36 -1.826 -2.956 -6.287 1.00 0.00 O ATOM 577 CB GLU A 36 -1.233 -3.942 -9.006 1.00 0.00 C ATOM 578 CG GLU A 36 -0.988 -5.187 -9.860 1.00 0.00 C ATOM 579 CD GLU A 36 -1.873 -5.170 -11.099 1.00 0.00 C ATOM 580 OE1 GLU A 36 -3.105 -5.274 -10.906 1.00 0.00 O ATOM 581 OE2 GLU A 36 -1.311 -5.037 -12.207 1.00 0.00 O ATOM 0 H GLU A 36 -1.033 -5.464 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 36 0.732 -3.546 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.251 -3.962 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.147 -3.051 -9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.060 -5.231 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.192 -6.083 -9.273 1.00 0.00 H new ATOM 588 N VAL A 37 0.111 -1.808 -6.532 1.00 0.00 N ATOM 589 CA VAL A 37 -0.059 -0.932 -5.378 1.00 0.00 C ATOM 590 C VAL A 37 0.327 0.509 -5.738 1.00 0.00 C ATOM 591 O VAL A 37 1.421 0.963 -5.403 1.00 0.00 O ATOM 592 CB VAL A 37 0.755 -1.510 -4.195 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.589 -0.770 -2.859 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.353 -2.968 -3.944 1.00 0.00 C ATOM 0 H VAL A 37 0.930 -1.584 -7.097 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.104 -0.891 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 37 1.793 -1.399 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.200 -1.254 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.907 0.266 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.458 -0.797 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.931 -3.366 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.709 -3.017 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.551 -3.559 -4.838 1.00 0.00 H new ATOM 604 N ASP A 38 -0.595 1.244 -6.381 1.00 0.00 N ATOM 605 CA ASP A 38 -0.517 2.698 -6.483 1.00 0.00 C ATOM 606 C ASP A 38 -0.930 3.306 -5.143 1.00 0.00 C ATOM 607 O ASP A 38 -1.648 2.680 -4.363 1.00 0.00 O ATOM 608 CB ASP A 38 -1.454 3.259 -7.572 1.00 0.00 C ATOM 609 CG ASP A 38 -1.152 2.735 -8.972 1.00 0.00 C ATOM 610 OD1 ASP A 38 -0.277 3.334 -9.633 1.00 0.00 O ATOM 611 OD2 ASP A 38 -1.829 1.764 -9.373 1.00 0.00 O ATOM 0 H ASP A 38 -1.411 0.841 -6.842 1.00 0.00 H new ATOM 0 HA ASP A 38 0.508 2.956 -6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.484 3.011 -7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.380 4.346 -7.577 1.00 0.00 H new ATOM 616 N LEU A 39 -0.535 4.561 -4.921 1.00 0.00 N ATOM 617 CA LEU A 39 -1.179 5.440 -3.959 1.00 0.00 C ATOM 618 C LEU A 39 -1.941 6.492 -4.762 1.00 0.00 C ATOM 619 O LEU A 39 -1.425 7.002 -5.753 1.00 0.00 O ATOM 620 CB LEU A 39 -0.153 6.037 -2.993 1.00 0.00 C ATOM 621 CG LEU A 39 0.555 4.941 -2.180 1.00 0.00 C ATOM 622 CD1 LEU A 39 1.945 4.631 -2.743 1.00 0.00 C ATOM 623 CD2 LEU A 39 0.658 5.377 -0.717 1.00 0.00 C ATOM 0 H LEU A 39 0.248 4.994 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.880 4.899 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.585 6.611 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.650 6.731 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.036 4.028 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.415 3.852 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.852 4.289 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.559 5.531 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.160 4.600 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.229 6.303 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.342 5.539 -0.314 1.00 0.00 H new ATOM 635 N LEU A 40 -3.196 6.742 -4.378 1.00 0.00 N ATOM 636 CA LEU A 40 -4.215 7.363 -5.211 1.00 0.00 C ATOM 637 C LEU A 40 -4.965 8.389 -4.365 1.00 0.00 C ATOM 638 O LEU A 40 -5.642 8.019 -3.408 1.00 0.00 O ATOM 639 CB LEU A 40 -5.143 6.251 -5.726 1.00 0.00 C ATOM 640 CG LEU A 40 -5.986 6.582 -6.968 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.892 7.804 -6.786 1.00 0.00 C ATOM 642 CD2 LEU A 40 -5.096 6.757 -8.200 1.00 0.00 C ATOM 0 H LEU A 40 -3.536 6.507 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.787 7.881 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.534 5.375 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.820 5.970 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.647 5.728 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.457 7.978 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.583 7.625 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.282 8.680 -6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.715 6.991 -9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.392 7.571 -8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.546 5.834 -8.386 1.00 0.00 H new ATOM 654 N LYS A 41 -4.820 9.679 -4.691 1.00 0.00 N ATOM 655 CA LYS A 41 -5.346 10.767 -3.891 1.00 0.00 C ATOM 656 C LYS A 41 -6.835 11.004 -4.169 1.00 0.00 C ATOM 657 O LYS A 41 -7.608 10.056 -4.296 1.00 0.00 O ATOM 658 CB LYS A 41 -4.466 11.984 -4.176 1.00 0.00 C ATOM 659 CG LYS A 41 -2.994 11.654 -3.923 1.00 0.00 C ATOM 660 CD LYS A 41 -2.089 12.610 -4.685 1.00 0.00 C ATOM 661 CE LYS A 41 -2.453 14.054 -4.350 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.367 14.997 -4.659 1.00 0.00 N ATOM 0 H LYS A 41 -4.327 9.989 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.308 10.536 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.600 12.303 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.772 12.817 -3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.781 11.716 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.788 10.629 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.047 12.420 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.188 12.441 -5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.346 14.338 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.702 14.126 -3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.689 15.969 -4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.544 14.787 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.099 14.903 -5.660 1.00 0.00 H new ATOM 676 N ASN A 42 -7.226 12.277 -4.291 1.00 0.00 N ATOM 677 CA ASN A 42 -8.538 12.678 -4.787 1.00 0.00 C ATOM 678 C ASN A 42 -8.808 12.056 -6.164 1.00 0.00 C ATOM 679 O ASN A 42 -9.902 11.553 -6.412 1.00 0.00 O ATOM 680 CB ASN A 42 -8.661 14.211 -4.812 1.00 0.00 C ATOM 681 CG ASN A 42 -7.841 14.857 -5.932 1.00 0.00 C ATOM 682 OD1 ASN A 42 -8.389 15.197 -6.978 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.529 15.009 -5.741 1.00 0.00 N ATOM 0 H ASN A 42 -6.628 13.066 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.302 12.302 -4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.709 14.484 -4.932 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.335 14.612 -3.852 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.951 15.418 -6.475 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.104 14.716 -4.861 1.00 0.00 H new ATOM 690 N GLY A 43 -7.798 12.061 -7.042 1.00 0.00 N ATOM 691 CA GLY A 43 -7.846 11.392 -8.332 1.00 0.00 C ATOM 692 C GLY A 43 -6.527 11.543 -9.088 1.00 0.00 C ATOM 693 O GLY A 43 -6.531 11.639 -10.313 1.00 0.00 O ATOM 0 H GLY A 43 -6.914 12.539 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.065 10.334 -8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.659 11.807 -8.929 1.00 0.00 H new ATOM 697 N GLU A 44 -5.405 11.555 -8.356 1.00 0.00 N ATOM 698 CA GLU A 44 -4.056 11.637 -8.894 1.00 0.00 C ATOM 699 C GLU A 44 -3.262 10.455 -8.341 1.00 0.00 C ATOM 700 O GLU A 44 -3.206 10.270 -7.125 1.00 0.00 O ATOM 701 CB GLU A 44 -3.450 12.986 -8.490 1.00 0.00 C ATOM 702 CG GLU A 44 -1.982 13.128 -8.908 1.00 0.00 C ATOM 703 CD GLU A 44 -1.430 14.481 -8.473 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.608 15.446 -9.246 1.00 0.00 O ATOM 705 OE2 GLU A 44 -0.858 14.531 -7.362 1.00 0.00 O ATOM 0 H GLU A 44 -5.421 11.506 -7.337 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.043 11.583 -9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.031 13.790 -8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.528 13.105 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.392 12.328 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.894 13.024 -9.989 1.00 0.00 H new ATOM 712 N ARG A 45 -2.666 9.655 -9.238 1.00 0.00 N ATOM 713 CA ARG A 45 -1.870 8.493 -8.874 1.00 0.00 C ATOM 714 C ARG A 45 -0.399 8.891 -8.725 1.00 0.00 C ATOM 715 O ARG A 45 0.149 9.605 -9.564 1.00 0.00 O ATOM 716 CB ARG A 45 -2.097 7.341 -9.864 1.00 0.00 C ATOM 717 CG ARG A 45 -1.444 7.549 -11.231 1.00 0.00 C ATOM 718 CD ARG A 45 -1.829 6.401 -12.172 1.00 0.00 C ATOM 719 NE ARG A 45 -1.079 6.494 -13.430 1.00 0.00 N ATOM 720 CZ ARG A 45 0.242 6.277 -13.542 1.00 0.00 C ATOM 721 NH1 ARG A 45 0.938 5.709 -12.547 1.00 0.00 N ATOM 722 NH2 ARG A 45 0.886 6.656 -14.652 1.00 0.00 N ATOM 0 H ARG A 45 -2.729 9.806 -10.245 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.193 8.117 -7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.712 6.420 -9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.169 7.203 -10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.763 8.501 -11.655 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.360 7.595 -11.123 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.626 5.445 -11.690 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.899 6.434 -12.376 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.595 6.740 -14.275 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.465 5.433 -11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.941 5.552 -12.651 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.374 7.108 -15.410 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.889 6.493 -14.741 1.00 0.00 H new ATOM 736 N ILE A 46 0.221 8.450 -7.629 1.00 0.00 N ATOM 737 CA ILE A 46 1.546 8.810 -7.197 1.00 0.00 C ATOM 738 C ILE A 46 2.507 7.761 -7.749 1.00 0.00 C ATOM 739 O ILE A 46 2.425 6.594 -7.368 1.00 0.00 O ATOM 740 CB ILE A 46 1.508 8.819 -5.665 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.549 9.902 -5.135 1.00 0.00 C ATOM 742 CG2 ILE A 46 2.913 9.044 -5.129 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.060 9.600 -3.718 1.00 0.00 C ATOM 0 H ILE A 46 -0.227 7.793 -6.990 1.00 0.00 H new ATOM 0 HA ILE A 46 1.877 9.786 -7.551 1.00 0.00 H new ATOM 0 HB ILE A 46 1.136 7.855 -5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.054 10.868 -5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.308 9.984 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.890 9.051 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.566 8.242 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.291 10.000 -5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.613 10.392 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.470 8.647 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.914 9.545 -3.042 1.00 0.00 H new ATOM 755 N GLU A 47 3.400 8.177 -8.652 1.00 0.00 N ATOM 756 CA GLU A 47 4.332 7.283 -9.326 1.00 0.00 C ATOM 757 C GLU A 47 5.609 7.055 -8.518 1.00 0.00 C ATOM 758 O GLU A 47 6.209 5.988 -8.636 1.00 0.00 O ATOM 759 CB GLU A 47 4.663 7.806 -10.725 1.00 0.00 C ATOM 760 CG GLU A 47 3.384 7.943 -11.555 1.00 0.00 C ATOM 761 CD GLU A 47 3.670 7.844 -13.049 1.00 0.00 C ATOM 762 OE1 GLU A 47 4.075 8.876 -13.625 1.00 0.00 O ATOM 763 OE2 GLU A 47 3.469 6.733 -13.590 1.00 0.00 O ATOM 0 H GLU A 47 3.493 9.153 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 47 3.838 6.316 -9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.162 8.772 -10.651 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.356 7.126 -11.221 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.678 7.164 -11.267 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.909 8.900 -11.338 1.00 0.00 H new ATOM 770 N LYS A 48 6.037 8.044 -7.718 1.00 0.00 N ATOM 771 CA LYS A 48 7.246 7.943 -6.911 1.00 0.00 C ATOM 772 C LYS A 48 6.975 7.073 -5.681 1.00 0.00 C ATOM 773 O LYS A 48 6.887 7.570 -4.559 1.00 0.00 O ATOM 774 CB LYS A 48 7.774 9.344 -6.556 1.00 0.00 C ATOM 775 CG LYS A 48 9.180 9.261 -5.943 1.00 0.00 C ATOM 776 CD LYS A 48 9.734 10.655 -5.628 1.00 0.00 C ATOM 777 CE LYS A 48 11.204 10.580 -5.196 1.00 0.00 C ATOM 778 NZ LYS A 48 11.379 9.857 -3.922 1.00 0.00 N ATOM 0 H LYS A 48 5.549 8.934 -7.618 1.00 0.00 H new ATOM 0 HA LYS A 48 8.035 7.454 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.799 9.965 -7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.094 9.826 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.146 8.666 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.850 8.749 -6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.642 11.293 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.142 11.115 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.784 10.084 -5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.602 11.590 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.386 9.848 -3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.834 10.333 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.040 8.880 -4.028 1.00 0.00 H new ATOM 792 N VAL A 49 6.853 5.761 -5.911 1.00 0.00 N ATOM 793 CA VAL A 49 6.688 4.745 -4.889 1.00 0.00 C ATOM 794 C VAL A 49 8.013 4.001 -4.787 1.00 0.00 C ATOM 795 O VAL A 49 8.309 3.151 -5.627 1.00 0.00 O ATOM 796 CB VAL A 49 5.536 3.793 -5.256 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.296 2.792 -4.116 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.247 4.575 -5.532 1.00 0.00 C ATOM 0 H VAL A 49 6.868 5.372 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 49 6.430 5.191 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 49 5.817 3.254 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.479 2.123 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.202 2.209 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.037 3.333 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.448 3.880 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.966 5.138 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.410 5.264 -6.361 1.00 0.00 H new ATOM 808 N GLU A 50 8.808 4.306 -3.757 1.00 0.00 N ATOM 809 CA GLU A 50 9.977 3.505 -3.451 1.00 0.00 C ATOM 810 C GLU A 50 9.457 2.246 -2.759 1.00 0.00 C ATOM 811 O GLU A 50 8.364 2.255 -2.192 1.00 0.00 O ATOM 812 CB GLU A 50 10.961 4.312 -2.595 1.00 0.00 C ATOM 813 CG GLU A 50 12.382 3.752 -2.652 1.00 0.00 C ATOM 814 CD GLU A 50 13.286 4.490 -1.670 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.825 5.543 -2.074 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.401 3.997 -0.527 1.00 0.00 O ATOM 0 H GLU A 50 8.658 5.097 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 50 10.539 3.222 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.968 5.348 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.618 4.318 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.370 2.688 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.777 3.849 -3.663 1.00 0.00 H new ATOM 823 N HIS A 51 10.209 1.149 -2.822 1.00 0.00 N ATOM 824 CA HIS A 51 9.799 -0.085 -2.178 1.00 0.00 C ATOM 825 C HIS A 51 11.015 -0.861 -1.704 1.00 0.00 C ATOM 826 O HIS A 51 12.097 -0.766 -2.283 1.00 0.00 O ATOM 827 CB HIS A 51 8.922 -0.928 -3.113 1.00 0.00 C ATOM 828 CG HIS A 51 9.627 -1.344 -4.378 1.00 0.00 C ATOM 829 ND1 HIS A 51 10.249 -2.588 -4.496 1.00 0.00 N ATOM 830 CD2 HIS A 51 9.813 -0.641 -5.539 1.00 0.00 C ATOM 831 CE1 HIS A 51 10.795 -2.579 -5.715 1.00 0.00 C ATOM 832 NE2 HIS A 51 10.569 -1.432 -6.377 1.00 0.00 N ATOM 0 H HIS A 51 11.102 1.095 -3.312 1.00 0.00 H new ATOM 0 HA HIS A 51 9.196 0.163 -1.305 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.589 -1.819 -2.581 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.029 -0.359 -3.373 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.280 -3.337 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.438 0.348 -5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.358 -3.405 -6.124 1.00 0.00 H new ATOM 840 N SER A 52 10.804 -1.642 -0.645 1.00 0.00 N ATOM 841 CA SER A 52 11.767 -2.618 -0.172 1.00 0.00 C ATOM 842 C SER A 52 11.774 -3.813 -1.129 1.00 0.00 C ATOM 843 O SER A 52 10.724 -4.214 -1.631 1.00 0.00 O ATOM 844 CB SER A 52 11.420 -3.031 1.262 1.00 0.00 C ATOM 845 OG SER A 52 10.079 -3.455 1.344 1.00 0.00 O ATOM 0 H SER A 52 9.949 -1.609 -0.090 1.00 0.00 H new ATOM 0 HA SER A 52 12.770 -2.191 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.082 -3.835 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.584 -2.192 1.938 1.00 0.00 H new ATOM 0 HG SER A 52 10.012 -4.388 1.052 1.00 0.00 H new ATOM 851 N ASP A 53 12.964 -4.377 -1.375 1.00 0.00 N ATOM 852 CA ASP A 53 13.144 -5.565 -2.202 1.00 0.00 C ATOM 853 C ASP A 53 12.375 -6.753 -1.606 1.00 0.00 C ATOM 854 O ASP A 53 12.049 -6.749 -0.418 1.00 0.00 O ATOM 855 CB ASP A 53 14.646 -5.858 -2.327 1.00 0.00 C ATOM 856 CG ASP A 53 14.937 -7.109 -3.153 1.00 0.00 C ATOM 857 OD1 ASP A 53 14.294 -7.255 -4.216 1.00 0.00 O ATOM 858 OD2 ASP A 53 15.788 -7.904 -2.699 1.00 0.00 O ATOM 0 H ASP A 53 13.838 -4.011 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 53 12.740 -5.394 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.142 -5.002 -2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.072 -5.978 -1.331 1.00 0.00 H new ATOM 863 N LEU A 54 12.049 -7.748 -2.443 1.00 0.00 N ATOM 864 CA LEU A 54 11.140 -8.827 -2.077 1.00 0.00 C ATOM 865 C LEU A 54 11.697 -9.614 -0.892 1.00 0.00 C ATOM 866 O LEU A 54 12.784 -10.183 -0.970 1.00 0.00 O ATOM 867 CB LEU A 54 10.835 -9.731 -3.291 1.00 0.00 C ATOM 868 CG LEU A 54 9.678 -10.741 -3.097 1.00 0.00 C ATOM 869 CD1 LEU A 54 10.071 -11.999 -2.318 1.00 0.00 C ATOM 870 CD2 LEU A 54 8.457 -10.083 -2.461 1.00 0.00 C ATOM 0 H LEU A 54 12.413 -7.821 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 54 10.190 -8.394 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.600 -9.096 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.739 -10.285 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 54 9.421 -11.071 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.205 -12.655 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.867 -12.521 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.421 -11.717 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.666 -10.823 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.728 -9.680 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.104 -9.275 -3.102 1.00 0.00 H new ATOM 882 N SER A 55 10.927 -9.636 0.201 1.00 0.00 N ATOM 883 CA SER A 55 11.211 -10.389 1.408 1.00 0.00 C ATOM 884 C SER A 55 9.966 -11.213 1.704 1.00 0.00 C ATOM 885 O SER A 55 8.945 -10.654 2.084 1.00 0.00 O ATOM 886 CB SER A 55 11.538 -9.416 2.547 1.00 0.00 C ATOM 887 OG SER A 55 11.850 -10.129 3.727 1.00 0.00 O ATOM 0 H SER A 55 10.057 -9.106 0.262 1.00 0.00 H new ATOM 0 HA SER A 55 12.072 -11.048 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.379 -8.783 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.689 -8.757 2.726 1.00 0.00 H new ATOM 0 HG SER A 55 11.025 -10.328 4.217 1.00 0.00 H new ATOM 893 N PHE A 56 10.029 -12.530 1.482 1.00 0.00 N ATOM 894 CA PHE A 56 8.871 -13.405 1.616 1.00 0.00 C ATOM 895 C PHE A 56 8.828 -14.160 2.947 1.00 0.00 C ATOM 896 O PHE A 56 7.888 -14.915 3.169 1.00 0.00 O ATOM 897 CB PHE A 56 8.811 -14.366 0.419 1.00 0.00 C ATOM 898 CG PHE A 56 9.973 -15.331 0.328 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.939 -16.528 1.064 1.00 0.00 C ATOM 900 CD2 PHE A 56 11.118 -14.997 -0.416 1.00 0.00 C ATOM 901 CE1 PHE A 56 11.095 -17.321 1.169 1.00 0.00 C ATOM 902 CE2 PHE A 56 12.257 -15.819 -0.356 1.00 0.00 C ATOM 903 CZ PHE A 56 12.250 -16.973 0.447 1.00 0.00 C ATOM 0 H PHE A 56 10.884 -13.013 1.205 1.00 0.00 H new ATOM 0 HA PHE A 56 7.983 -12.772 1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.884 -14.937 0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.769 -13.780 -0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 56 9.025 -16.838 1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.123 -14.110 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.096 -18.195 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.138 -15.564 -0.927 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.132 -17.593 0.509 1.00 0.00 H new ATOM 913 N SER A 57 9.841 -13.977 3.803 1.00 0.00 N ATOM 914 CA SER A 57 10.133 -14.768 4.992 1.00 0.00 C ATOM 915 C SER A 57 10.343 -16.255 4.683 1.00 0.00 C ATOM 916 O SER A 57 9.493 -16.917 4.090 1.00 0.00 O ATOM 917 CB SER A 57 9.144 -14.558 6.151 1.00 0.00 C ATOM 918 OG SER A 57 7.891 -15.172 5.928 1.00 0.00 O ATOM 0 H SER A 57 10.517 -13.225 3.670 1.00 0.00 H new ATOM 0 HA SER A 57 11.086 -14.376 5.348 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.579 -14.955 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.996 -13.489 6.305 1.00 0.00 H new ATOM 0 HG SER A 57 7.711 -15.208 4.965 1.00 0.00 H new ATOM 924 N LYS A 58 11.450 -16.808 5.189 1.00 0.00 N ATOM 925 CA LYS A 58 11.623 -18.249 5.353 1.00 0.00 C ATOM 926 C LYS A 58 10.447 -18.850 6.119 1.00 0.00 C ATOM 927 O LYS A 58 10.108 -20.016 5.927 1.00 0.00 O ATOM 928 CB LYS A 58 12.934 -18.531 6.089 1.00 0.00 C ATOM 929 CG LYS A 58 14.143 -17.909 5.375 1.00 0.00 C ATOM 930 CD LYS A 58 15.467 -18.369 6.004 1.00 0.00 C ATOM 931 CE LYS A 58 15.529 -18.125 7.519 1.00 0.00 C ATOM 932 NZ LYS A 58 16.901 -18.276 8.035 1.00 0.00 N ATOM 0 H LYS A 58 12.255 -16.262 5.497 1.00 0.00 H new ATOM 0 HA LYS A 58 11.659 -18.712 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.871 -18.138 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.078 -19.608 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.125 -18.184 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.075 -16.822 5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.606 -19.432 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.293 -17.845 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.164 -17.123 7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.868 -18.826 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.907 -18.105 9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.240 -19.240 7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.526 -17.590 7.566 1.00 0.00 H new ATOM 946 N ASP A 59 9.805 -18.025 6.951 1.00 0.00 N ATOM 947 CA ASP A 59 8.646 -18.371 7.743 1.00 0.00 C ATOM 948 C ASP A 59 7.342 -18.410 6.933 1.00 0.00 C ATOM 949 O ASP A 59 6.267 -18.258 7.509 1.00 0.00 O ATOM 950 CB ASP A 59 8.525 -17.356 8.887 1.00 0.00 C ATOM 951 CG ASP A 59 9.789 -17.310 9.740 1.00 0.00 C ATOM 952 OD1 ASP A 59 10.751 -16.642 9.297 1.00 0.00 O ATOM 953 OD2 ASP A 59 9.775 -17.953 10.812 1.00 0.00 O ATOM 0 H ASP A 59 10.100 -17.058 7.089 1.00 0.00 H new ATOM 0 HA ASP A 59 8.792 -19.382 8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.328 -16.366 8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.672 -17.616 9.514 1.00 0.00 H new ATOM 958 N TRP A 60 7.422 -18.637 5.616 1.00 0.00 N ATOM 959 CA TRP A 60 6.285 -18.905 4.749 1.00 0.00 C ATOM 960 C TRP A 60 5.338 -17.704 4.677 1.00 0.00 C ATOM 961 O TRP A 60 4.334 -17.660 5.388 1.00 0.00 O ATOM 962 CB TRP A 60 5.557 -20.194 5.166 1.00 0.00 C ATOM 963 CG TRP A 60 6.406 -21.425 5.231 1.00 0.00 C ATOM 964 CD1 TRP A 60 7.108 -21.834 6.310 1.00 0.00 C ATOM 965 CD2 TRP A 60 6.649 -22.426 4.198 1.00 0.00 C ATOM 966 NE1 TRP A 60 7.765 -23.014 6.029 1.00 0.00 N ATOM 967 CE2 TRP A 60 7.508 -23.428 4.737 1.00 0.00 C ATOM 968 CE3 TRP A 60 6.230 -22.593 2.859 1.00 0.00 C ATOM 969 CZ2 TRP A 60 7.918 -24.545 3.994 1.00 0.00 C ATOM 970 CZ3 TRP A 60 6.642 -23.706 2.103 1.00 0.00 C ATOM 971 CH2 TRP A 60 7.476 -24.686 2.669 1.00 0.00 C ATOM 0 H TRP A 60 8.311 -18.638 5.116 1.00 0.00 H new ATOM 0 HA TRP A 60 6.666 -19.065 3.741 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.105 -20.034 6.145 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.742 -20.373 4.464 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.149 -21.313 7.255 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.361 -23.514 6.688 1.00 0.00 H new ATOM 0 HE3 TRP A 60 5.583 -21.855 2.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.566 -25.288 4.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.315 -23.808 1.079 1.00 0.00 H new ATOM 0 HH2 TRP A 60 7.776 -25.545 2.086 1.00 0.00 H new ATOM 982 N SER A 61 5.635 -16.749 3.791 1.00 0.00 N ATOM 983 CA SER A 61 4.769 -15.618 3.477 1.00 0.00 C ATOM 984 C SER A 61 5.130 -15.108 2.075 1.00 0.00 C ATOM 985 O SER A 61 5.782 -15.824 1.318 1.00 0.00 O ATOM 986 CB SER A 61 4.909 -14.552 4.574 1.00 0.00 C ATOM 987 OG SER A 61 3.914 -13.557 4.438 1.00 0.00 O ATOM 0 H SER A 61 6.507 -16.744 3.261 1.00 0.00 H new ATOM 0 HA SER A 61 3.718 -15.905 3.459 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.829 -15.021 5.555 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.897 -14.095 4.519 1.00 0.00 H new ATOM 0 HG SER A 61 4.020 -12.889 5.147 1.00 0.00 H new ATOM 993 N PHE A 62 4.722 -13.881 1.733 1.00 0.00 N ATOM 994 CA PHE A 62 5.183 -13.140 0.561 1.00 0.00 C ATOM 995 C PHE A 62 4.778 -11.684 0.786 1.00 0.00 C ATOM 996 O PHE A 62 3.597 -11.429 1.026 1.00 0.00 O ATOM 997 CB PHE A 62 4.603 -13.707 -0.745 1.00 0.00 C ATOM 998 CG PHE A 62 5.646 -13.941 -1.818 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.044 -12.901 -2.677 1.00 0.00 C ATOM 1000 CD2 PHE A 62 6.290 -15.189 -1.907 1.00 0.00 C ATOM 1001 CE1 PHE A 62 6.981 -13.155 -3.688 1.00 0.00 C ATOM 1002 CE2 PHE A 62 7.223 -15.443 -2.918 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.560 -14.428 -3.824 1.00 0.00 C ATOM 0 H PHE A 62 4.039 -13.362 2.285 1.00 0.00 H new ATOM 0 HA PHE A 62 6.264 -13.227 0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.097 -14.648 -0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.848 -13.019 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.629 -11.911 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.061 -15.960 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.261 -12.365 -4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.682 -16.417 -3.000 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.261 -14.623 -4.622 1.00 0.00 H new ATOM 1013 N TYR A 63 5.734 -10.741 0.789 1.00 0.00 N ATOM 1014 CA TYR A 63 5.419 -9.371 1.179 1.00 0.00 C ATOM 1015 C TYR A 63 6.506 -8.398 0.747 1.00 0.00 C ATOM 1016 O TYR A 63 7.586 -8.788 0.315 1.00 0.00 O ATOM 1017 CB TYR A 63 5.293 -9.238 2.696 1.00 0.00 C ATOM 1018 CG TYR A 63 6.441 -9.747 3.513 1.00 0.00 C ATOM 1019 CD1 TYR A 63 6.442 -11.063 3.989 1.00 0.00 C ATOM 1020 CD2 TYR A 63 7.442 -8.845 3.903 1.00 0.00 C ATOM 1021 CE1 TYR A 63 7.483 -11.494 4.819 1.00 0.00 C ATOM 1022 CE2 TYR A 63 8.484 -9.274 4.736 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.534 -10.618 5.153 1.00 0.00 C ATOM 1024 OH TYR A 63 9.606 -11.071 5.867 1.00 0.00 O ATOM 0 H TYR A 63 6.708 -10.903 0.531 1.00 0.00 H new ATOM 0 HA TYR A 63 4.475 -9.134 0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.146 -8.185 2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.392 -9.764 3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.646 -11.741 3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 63 7.410 -7.821 3.562 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.480 -12.503 5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 63 9.245 -8.578 5.056 1.00 0.00 H new ATOM 0 HH TYR A 63 9.873 -10.393 6.522 1.00 0.00 H new ATOM 1034 N LEU A 64 6.205 -7.113 0.931 1.00 0.00 N ATOM 1035 CA LEU A 64 7.044 -5.986 0.563 1.00 0.00 C ATOM 1036 C LEU A 64 6.414 -4.732 1.166 1.00 0.00 C ATOM 1037 O LEU A 64 5.211 -4.708 1.420 1.00 0.00 O ATOM 1038 CB LEU A 64 7.250 -5.888 -0.967 1.00 0.00 C ATOM 1039 CG LEU A 64 5.998 -5.589 -1.812 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.304 -5.638 -3.315 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.889 -6.615 -1.608 1.00 0.00 C ATOM 0 H LEU A 64 5.327 -6.822 1.361 1.00 0.00 H new ATOM 0 HA LEU A 64 8.050 -6.113 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.987 -5.109 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.679 -6.828 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 64 5.684 -4.598 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.396 -5.422 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.066 -4.896 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.668 -6.631 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.032 -6.353 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.252 -7.604 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.589 -6.623 -0.560 1.00 0.00 H new ATOM 1053 N LEU A 65 7.238 -3.718 1.434 1.00 0.00 N ATOM 1054 CA LEU A 65 6.858 -2.436 2.000 1.00 0.00 C ATOM 1055 C LEU A 65 6.989 -1.395 0.889 1.00 0.00 C ATOM 1056 O LEU A 65 7.998 -1.395 0.186 1.00 0.00 O ATOM 1057 CB LEU A 65 7.793 -2.155 3.183 1.00 0.00 C ATOM 1058 CG LEU A 65 7.154 -1.313 4.289 1.00 0.00 C ATOM 1059 CD1 LEU A 65 8.220 -1.067 5.352 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.637 0.022 3.763 1.00 0.00 C ATOM 0 H LEU A 65 8.239 -3.779 1.250 1.00 0.00 H new ATOM 0 HA LEU A 65 5.833 -2.416 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.123 -3.104 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.683 -1.642 2.817 1.00 0.00 H new ATOM 0 HG LEU A 65 6.297 -1.849 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.798 -0.468 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.563 -2.022 5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.061 -0.536 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.191 0.588 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.464 0.590 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.886 -0.156 2.994 1.00 0.00 H new ATOM 1072 N TYR A 66 5.959 -0.559 0.706 1.00 0.00 N ATOM 1073 CA TYR A 66 5.767 0.281 -0.465 1.00 0.00 C ATOM 1074 C TYR A 66 5.473 1.711 0.008 1.00 0.00 C ATOM 1075 O TYR A 66 4.365 1.989 0.469 1.00 0.00 O ATOM 1076 CB TYR A 66 4.590 -0.251 -1.320 1.00 0.00 C ATOM 1077 CG TYR A 66 4.360 -1.755 -1.451 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.888 -2.484 -0.338 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.195 -2.313 -2.736 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.201 -3.691 -0.505 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.467 -3.506 -2.906 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.914 -4.156 -1.790 1.00 0.00 C ATOM 1083 OH TYR A 66 2.097 -5.235 -1.943 1.00 0.00 O ATOM 0 H TYR A 66 5.216 -0.451 1.397 1.00 0.00 H new ATOM 0 HA TYR A 66 6.666 0.269 -1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.675 0.183 -0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.715 0.147 -2.327 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.060 -2.104 0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.630 -1.822 -3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.893 -4.262 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.334 -3.921 -3.894 1.00 0.00 H new ATOM 0 HH TYR A 66 1.219 -5.038 -1.554 1.00 0.00 H new ATOM 1093 N TYR A 67 6.472 2.603 -0.057 1.00 0.00 N ATOM 1094 CA TYR A 67 6.411 3.905 0.601 1.00 0.00 C ATOM 1095 C TYR A 67 6.630 5.079 -0.349 1.00 0.00 C ATOM 1096 O TYR A 67 7.320 4.972 -1.362 1.00 0.00 O ATOM 1097 CB TYR A 67 7.358 3.967 1.812 1.00 0.00 C ATOM 1098 CG TYR A 67 8.639 3.156 1.766 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.423 3.141 0.605 1.00 0.00 C ATOM 1100 CD2 TYR A 67 9.029 2.387 2.876 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.557 2.316 0.521 1.00 0.00 C ATOM 1102 CE2 TYR A 67 10.170 1.569 2.800 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.922 1.514 1.614 1.00 0.00 C ATOM 1104 OH TYR A 67 12.000 0.680 1.527 1.00 0.00 O ATOM 0 H TYR A 67 7.340 2.438 -0.567 1.00 0.00 H new ATOM 0 HA TYR A 67 5.389 4.010 0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.631 5.011 1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.796 3.650 2.690 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.154 3.768 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.452 2.424 3.788 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.147 2.299 -0.383 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.469 0.981 3.655 1.00 0.00 H new ATOM 0 HH TYR A 67 12.111 0.199 2.374 1.00 0.00 H new ATOM 1114 N THR A 68 6.010 6.206 0.008 1.00 0.00 N ATOM 1115 CA THR A 68 5.991 7.419 -0.805 1.00 0.00 C ATOM 1116 C THR A 68 6.053 8.667 0.078 1.00 0.00 C ATOM 1117 O THR A 68 5.576 8.644 1.211 1.00 0.00 O ATOM 1118 CB THR A 68 4.743 7.440 -1.702 1.00 0.00 C ATOM 1119 OG1 THR A 68 4.891 8.454 -2.672 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.441 7.687 -0.938 1.00 0.00 C ATOM 0 H THR A 68 5.499 6.300 0.886 1.00 0.00 H new ATOM 0 HA THR A 68 6.873 7.420 -1.445 1.00 0.00 H new ATOM 0 HB THR A 68 4.668 6.451 -2.154 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.566 8.183 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.604 7.688 -1.636 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.297 6.898 -0.200 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.493 8.651 -0.432 1.00 0.00 H new ATOM 1128 N GLU A 69 6.588 9.767 -0.460 1.00 0.00 N ATOM 1129 CA GLU A 69 6.649 11.058 0.206 1.00 0.00 C ATOM 1130 C GLU A 69 5.315 11.787 0.000 1.00 0.00 C ATOM 1131 O GLU A 69 5.219 12.679 -0.841 1.00 0.00 O ATOM 1132 CB GLU A 69 7.822 11.857 -0.373 1.00 0.00 C ATOM 1133 CG GLU A 69 9.191 11.239 -0.078 1.00 0.00 C ATOM 1134 CD GLU A 69 10.286 11.896 -0.912 1.00 0.00 C ATOM 1135 OE1 GLU A 69 10.265 11.677 -2.143 1.00 0.00 O ATOM 1136 OE2 GLU A 69 11.127 12.599 -0.312 1.00 0.00 O ATOM 0 H GLU A 69 6.999 9.778 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 69 6.811 10.938 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.696 11.941 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.795 12.869 0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.422 11.350 0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.163 10.170 -0.288 1.00 0.00 H new ATOM 1143 N PHE A 70 4.275 11.387 0.744 1.00 0.00 N ATOM 1144 CA PHE A 70 2.920 11.888 0.537 1.00 0.00 C ATOM 1145 C PHE A 70 2.776 13.298 1.110 1.00 0.00 C ATOM 1146 O PHE A 70 3.288 13.583 2.188 1.00 0.00 O ATOM 1147 CB PHE A 70 1.876 10.917 1.115 1.00 0.00 C ATOM 1148 CG PHE A 70 1.365 11.226 2.507 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.179 10.925 3.605 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.130 11.868 2.715 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.733 11.148 4.915 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.243 12.239 4.019 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.540 11.854 5.121 1.00 0.00 C ATOM 0 H PHE A 70 4.354 10.709 1.502 1.00 0.00 H new ATOM 0 HA PHE A 70 2.733 11.951 -0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.023 10.889 0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.309 9.917 1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.165 10.515 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.525 12.074 1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.302 10.780 5.756 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.137 12.824 4.175 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.223 12.101 6.123 1.00 0.00 H new ATOM 1163 N THR A 71 2.101 14.180 0.371 1.00 0.00 N ATOM 1164 CA THR A 71 1.979 15.595 0.711 1.00 0.00 C ATOM 1165 C THR A 71 0.495 15.968 0.760 1.00 0.00 C ATOM 1166 O THR A 71 -0.083 16.266 -0.285 1.00 0.00 O ATOM 1167 CB THR A 71 2.736 16.440 -0.326 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.059 15.960 -0.452 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.777 17.909 0.114 1.00 0.00 C ATOM 0 H THR A 71 1.618 13.927 -0.491 1.00 0.00 H new ATOM 0 HA THR A 71 2.418 15.791 1.689 1.00 0.00 H new ATOM 0 HB THR A 71 2.220 16.365 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.541 16.498 -1.115 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.316 18.497 -0.629 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.760 18.289 0.209 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.284 17.987 1.076 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.152 15.942 1.934 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.582 16.174 2.030 1.00 0.00 C ATOM 1179 C PRO A 72 -1.886 17.648 1.766 1.00 0.00 C ATOM 1180 O PRO A 72 -1.580 18.487 2.607 1.00 0.00 O ATOM 1181 CB PRO A 72 -1.967 15.746 3.449 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.682 15.937 4.257 1.00 0.00 C ATOM 1183 CD PRO A 72 0.433 15.684 3.242 1.00 0.00 C ATOM 0 HA PRO A 72 -2.155 15.611 1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.780 16.356 3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.304 14.710 3.475 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.620 16.941 4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.628 15.239 5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.284 16.340 3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.799 14.660 3.311 1.00 0.00 H new ATOM 1191 N THR A 73 -2.504 17.979 0.623 1.00 0.00 N ATOM 1192 CA THR A 73 -3.074 19.312 0.457 1.00 0.00 C ATOM 1193 C THR A 73 -4.350 19.400 1.300 1.00 0.00 C ATOM 1194 O THR A 73 -4.849 18.387 1.794 1.00 0.00 O ATOM 1195 CB THR A 73 -3.351 19.654 -1.018 1.00 0.00 C ATOM 1196 OG1 THR A 73 -4.479 18.957 -1.499 1.00 0.00 O ATOM 1197 CG2 THR A 73 -2.139 19.400 -1.920 1.00 0.00 C ATOM 0 H THR A 73 -2.618 17.357 -0.177 1.00 0.00 H new ATOM 0 HA THR A 73 -2.349 20.050 0.800 1.00 0.00 H new ATOM 0 HB THR A 73 -3.559 20.723 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.215 18.051 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.391 19.658 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.302 20.013 -1.586 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.861 18.347 -1.868 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.907 20.607 1.435 1.00 0.00 N ATOM 1206 CA GLU A 74 -6.160 20.817 2.145 1.00 0.00 C ATOM 1207 C GLU A 74 -7.357 20.178 1.423 1.00 0.00 C ATOM 1208 O GLU A 74 -8.453 20.164 1.982 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.367 22.319 2.384 1.00 0.00 C ATOM 1210 CG GLU A 74 -5.232 22.894 3.244 1.00 0.00 C ATOM 1211 CD GLU A 74 -5.432 24.380 3.519 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -5.171 25.169 2.585 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -5.840 24.700 4.657 1.00 0.00 O ATOM 0 H GLU A 74 -4.499 21.461 1.054 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.097 20.314 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.407 22.842 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.324 22.485 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.181 22.353 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.279 22.742 2.738 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.162 19.631 0.211 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.189 18.909 -0.525 1.00 0.00 C ATOM 1222 C LYS A 75 -7.569 17.701 -1.241 1.00 0.00 C ATOM 1223 O LYS A 75 -7.435 17.695 -2.464 1.00 0.00 O ATOM 1224 CB LYS A 75 -8.901 19.890 -1.469 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.170 19.287 -2.082 1.00 0.00 C ATOM 1226 CD LYS A 75 -10.892 20.343 -2.926 1.00 0.00 C ATOM 1227 CE LYS A 75 -12.215 19.788 -3.466 1.00 0.00 C ATOM 1228 NZ LYS A 75 -12.925 20.783 -4.290 1.00 0.00 N ATOM 0 H LYS A 75 -6.271 19.684 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.944 18.502 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.160 20.796 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.219 20.184 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.913 18.427 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.830 18.926 -1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.083 21.231 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.255 20.652 -3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.020 18.895 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.850 19.485 -2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.815 20.374 -4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.133 21.625 -3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.329 21.054 -5.098 1.00 0.00 H new ATOM 1242 N ASP A 76 -7.232 16.664 -0.463 1.00 0.00 N ATOM 1243 CA ASP A 76 -6.854 15.339 -0.950 1.00 0.00 C ATOM 1244 C ASP A 76 -7.447 14.269 -0.036 1.00 0.00 C ATOM 1245 O ASP A 76 -7.772 14.546 1.119 1.00 0.00 O ATOM 1246 CB ASP A 76 -5.328 15.166 -0.969 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.653 15.746 -2.203 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -5.155 15.473 -3.315 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -3.605 16.402 -2.015 1.00 0.00 O ATOM 0 H ASP A 76 -7.216 16.731 0.555 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.237 15.236 -1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.908 15.640 -0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.093 14.104 -0.905 1.00 0.00 H new ATOM 1254 N GLU A 77 -7.530 13.034 -0.550 1.00 0.00 N ATOM 1255 CA GLU A 77 -7.810 11.845 0.240 1.00 0.00 C ATOM 1256 C GLU A 77 -6.884 10.730 -0.247 1.00 0.00 C ATOM 1257 O GLU A 77 -7.218 9.995 -1.174 1.00 0.00 O ATOM 1258 CB GLU A 77 -9.298 11.464 0.139 1.00 0.00 C ATOM 1259 CG GLU A 77 -9.813 10.773 1.411 1.00 0.00 C ATOM 1260 CD GLU A 77 -9.022 9.527 1.809 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -7.982 9.706 2.482 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -9.492 8.417 1.477 1.00 0.00 O ATOM 0 H GLU A 77 -7.401 12.839 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.618 12.027 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.888 12.361 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.444 10.803 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.786 11.486 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.857 10.496 1.264 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.704 10.622 0.368 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.720 9.618 0.004 1.00 0.00 C ATOM 1271 C TYR A 78 -5.230 8.229 0.395 1.00 0.00 C ATOM 1272 O TYR A 78 -5.534 7.979 1.560 1.00 0.00 O ATOM 1273 CB TYR A 78 -3.377 9.935 0.665 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.560 10.997 -0.041 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.954 12.345 0.012 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -1.377 10.645 -0.716 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -2.163 13.340 -0.588 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.563 11.651 -1.267 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.951 12.995 -1.208 1.00 0.00 C ATOM 1280 OH TYR A 78 -0.152 13.947 -1.770 1.00 0.00 O ATOM 0 H TYR A 78 -5.410 11.231 1.131 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.567 9.628 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.559 10.258 1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.789 9.019 0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.869 12.618 0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.095 9.607 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.487 14.370 -0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.370 11.384 -1.740 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.300 14.805 -1.320 1.00 0.00 H new ATOM 1290 N ALA A 79 -5.326 7.341 -0.600 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.877 5.999 -0.473 1.00 0.00 C ATOM 1292 C ALA A 79 -5.041 5.015 -1.286 1.00 0.00 C ATOM 1293 O ALA A 79 -4.632 5.329 -2.401 1.00 0.00 O ATOM 1294 CB ALA A 79 -7.333 5.992 -0.943 1.00 0.00 C ATOM 0 H ALA A 79 -5.009 7.550 -1.547 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.848 5.692 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.742 4.986 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.916 6.681 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.380 6.304 -1.986 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.766 3.834 -0.722 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.793 2.900 -1.270 1.00 0.00 C ATOM 1302 C CYS A 80 -4.486 1.787 -2.053 1.00 0.00 C ATOM 1303 O CYS A 80 -5.273 1.031 -1.483 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.922 2.340 -0.140 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.317 1.749 -0.733 1.00 0.00 S ATOM 0 H CYS A 80 -5.217 3.503 0.131 1.00 0.00 H new ATOM 0 HA CYS A 80 -3.147 3.428 -1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.766 3.113 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.449 1.521 0.350 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.176 1.664 -3.350 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.601 0.526 -4.150 1.00 0.00 C ATOM 1312 C ARG A 81 -3.939 -0.729 -3.585 1.00 0.00 C ATOM 1313 O ARG A 81 -2.750 -0.700 -3.281 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.182 0.734 -5.611 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.559 -0.459 -6.508 1.00 0.00 C ATOM 1316 CD ARG A 81 -3.934 -0.366 -7.904 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.285 0.877 -8.600 1.00 0.00 N ATOM 1318 CZ ARG A 81 -5.481 1.194 -9.119 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -6.490 0.312 -9.102 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -5.659 2.406 -9.661 1.00 0.00 N ATOM 0 H ARG A 81 -3.626 2.351 -3.865 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.685 0.422 -4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.655 1.638 -5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.105 0.893 -5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.237 -1.384 -6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.644 -0.510 -6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.850 -0.435 -7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.261 -1.217 -8.501 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.544 1.571 -8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.353 -0.612 -8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.395 0.564 -9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.890 3.076 -9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.564 2.659 -10.059 1.00 0.00 H new ATOM 1334 N VAL A 82 -4.688 -1.830 -3.470 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.144 -3.142 -3.187 1.00 0.00 C ATOM 1336 C VAL A 82 -4.852 -4.127 -4.117 1.00 0.00 C ATOM 1337 O VAL A 82 -6.028 -4.424 -3.909 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.349 -3.484 -1.702 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -3.825 -4.894 -1.422 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -3.619 -2.483 -0.793 1.00 0.00 C ATOM 0 H VAL A 82 -5.703 -1.824 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.070 -3.185 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.416 -3.430 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.971 -5.134 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.367 -5.612 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.762 -4.941 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.783 -2.752 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.551 -2.506 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.004 -1.479 -0.974 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.140 -4.622 -5.138 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.641 -5.643 -6.048 1.00 0.00 C ATOM 1352 C ASN A 83 -3.561 -6.705 -6.257 1.00 0.00 C ATOM 1353 O ASN A 83 -2.716 -6.562 -7.137 1.00 0.00 O ATOM 1354 CB ASN A 83 -5.069 -5.009 -7.374 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.810 -6.024 -8.245 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.936 -6.402 -7.931 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -5.189 -6.474 -9.337 1.00 0.00 N ATOM 0 H ASN A 83 -3.190 -4.317 -5.352 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.520 -6.123 -5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.712 -4.150 -7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.192 -4.638 -7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.650 -7.154 -9.942 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.254 -6.138 -9.567 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.588 -7.775 -5.453 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.753 -8.951 -5.667 1.00 0.00 C ATOM 1366 C HIS A 84 -3.301 -9.683 -6.899 1.00 0.00 C ATOM 1367 O HIS A 84 -4.462 -9.500 -7.258 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.828 -9.837 -4.423 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.029 -11.110 -4.513 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.681 -12.333 -4.609 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.675 -11.330 -4.507 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.712 -13.245 -4.620 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.487 -12.697 -4.564 1.00 0.00 N ATOM 0 H HIS A 84 -4.193 -7.844 -4.635 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.709 -8.685 -5.835 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.480 -9.264 -3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.871 -10.090 -4.236 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.098 -10.577 -4.466 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.891 -14.309 -4.669 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.405 -13.192 -4.564 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.490 -10.527 -7.541 1.00 0.00 N ATOM 1382 CA VAL A 85 -2.917 -11.302 -8.702 1.00 0.00 C ATOM 1383 C VAL A 85 -4.170 -12.142 -8.417 1.00 0.00 C ATOM 1384 O VAL A 85 -4.986 -12.337 -9.316 1.00 0.00 O ATOM 1385 CB VAL A 85 -1.741 -12.126 -9.262 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.186 -13.161 -8.275 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.119 -12.833 -10.570 1.00 0.00 C ATOM 0 H VAL A 85 -1.521 -10.690 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.220 -10.605 -9.483 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.954 -11.396 -9.449 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.361 -13.701 -8.740 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.828 -12.654 -7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.974 -13.864 -8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.265 -13.404 -10.935 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.956 -13.507 -10.390 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.404 -12.091 -11.315 1.00 0.00 H new ATOM 1397 N THR A 86 -4.350 -12.613 -7.174 1.00 0.00 N ATOM 1398 CA THR A 86 -5.517 -13.402 -6.799 1.00 0.00 C ATOM 1399 C THR A 86 -6.769 -12.542 -6.562 1.00 0.00 C ATOM 1400 O THR A 86 -7.878 -13.069 -6.631 1.00 0.00 O ATOM 1401 CB THR A 86 -5.178 -14.339 -5.630 1.00 0.00 C ATOM 1402 OG1 THR A 86 -5.906 -15.542 -5.764 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.487 -13.727 -4.263 1.00 0.00 C ATOM 0 H THR A 86 -3.692 -12.455 -6.411 1.00 0.00 H new ATOM 0 HA THR A 86 -5.783 -14.034 -7.646 1.00 0.00 H new ATOM 0 HB THR A 86 -4.104 -14.520 -5.673 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.293 -16.271 -5.993 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.226 -14.438 -3.479 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.906 -12.814 -4.133 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.550 -13.493 -4.201 1.00 0.00 H new ATOM 1411 N LEU A 87 -6.619 -11.232 -6.302 1.00 0.00 N ATOM 1412 CA LEU A 87 -7.758 -10.327 -6.203 1.00 0.00 C ATOM 1413 C LEU A 87 -8.379 -10.119 -7.583 1.00 0.00 C ATOM 1414 O LEU A 87 -7.721 -9.630 -8.500 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.340 -8.977 -5.600 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.589 -8.885 -4.090 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -6.970 -10.029 -3.280 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.048 -7.547 -3.574 1.00 0.00 C ATOM 0 H LEU A 87 -5.714 -10.783 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.497 -10.778 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.281 -8.811 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.887 -8.178 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.667 -8.963 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.193 -9.888 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.387 -10.979 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.890 -10.035 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.221 -7.474 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.978 -7.486 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.559 -6.728 -4.080 1.00 0.00 H new ATOM 1430 N SER A 88 -9.668 -10.456 -7.700 1.00 0.00 N ATOM 1431 CA SER A 88 -10.481 -10.193 -8.877 1.00 0.00 C ATOM 1432 C SER A 88 -10.837 -8.708 -9.016 1.00 0.00 C ATOM 1433 O SER A 88 -11.338 -8.307 -10.064 1.00 0.00 O ATOM 1434 CB SER A 88 -11.755 -11.041 -8.792 1.00 0.00 C ATOM 1435 OG SER A 88 -12.476 -10.739 -7.612 1.00 0.00 O ATOM 0 H SER A 88 -10.181 -10.930 -6.957 1.00 0.00 H new ATOM 0 HA SER A 88 -9.904 -10.461 -9.762 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.381 -10.855 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.495 -12.100 -8.805 1.00 0.00 H new ATOM 0 HG SER A 88 -13.287 -11.288 -7.575 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.624 -7.903 -7.964 1.00 0.00 N ATOM 1442 CA GLN A 89 -11.035 -6.512 -7.909 1.00 0.00 C ATOM 1443 C GLN A 89 -10.068 -5.738 -7.008 1.00 0.00 C ATOM 1444 O GLN A 89 -9.696 -6.247 -5.949 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.487 -6.422 -7.420 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.715 -7.061 -6.045 1.00 0.00 C ATOM 1447 CD GLN A 89 -14.200 -7.108 -5.694 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -14.770 -8.185 -5.539 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -14.830 -5.939 -5.564 1.00 0.00 N ATOM 0 H GLN A 89 -10.151 -8.217 -7.117 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.999 -6.062 -8.901 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.782 -5.374 -7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.137 -6.907 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.306 -8.071 -6.039 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.177 -6.494 -5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.320 -5.067 -5.701 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.822 -5.918 -5.327 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.639 -4.528 -7.404 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.658 -3.761 -6.661 1.00 0.00 C ATOM 1460 C PRO A 90 -9.308 -3.171 -5.410 1.00 0.00 C ATOM 1461 O PRO A 90 -10.247 -2.382 -5.505 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.182 -2.677 -7.633 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.400 -2.432 -8.522 1.00 0.00 C ATOM 1464 CD PRO A 90 -10.032 -3.822 -8.616 1.00 0.00 C ATOM 0 HA PRO A 90 -7.818 -4.361 -6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.881 -1.771 -7.107 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.322 -3.009 -8.214 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.083 -1.705 -8.082 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.116 -2.049 -9.502 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.117 -3.752 -8.692 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.684 -4.349 -9.504 1.00 0.00 H new ATOM 1472 N LYS A 91 -8.802 -3.557 -4.235 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.269 -3.040 -2.962 1.00 0.00 C ATOM 1474 C LYS A 91 -8.527 -1.731 -2.703 1.00 0.00 C ATOM 1475 O LYS A 91 -7.373 -1.753 -2.277 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.018 -4.069 -1.849 1.00 0.00 C ATOM 1477 CG LYS A 91 -9.782 -5.378 -2.097 1.00 0.00 C ATOM 1478 CD LYS A 91 -9.576 -6.340 -0.917 1.00 0.00 C ATOM 1479 CE LYS A 91 -10.046 -7.767 -1.227 1.00 0.00 C ATOM 1480 NZ LYS A 91 -11.487 -7.843 -1.523 1.00 0.00 N ATOM 0 H LYS A 91 -8.052 -4.242 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.343 -2.854 -2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.950 -4.279 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.321 -3.648 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.844 -5.170 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.434 -5.842 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.519 -6.360 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.117 -5.964 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.484 -8.153 -2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.820 -8.411 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.752 -8.832 -1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.028 -7.486 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.700 -7.265 -2.361 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.174 -0.592 -2.983 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.586 0.715 -2.749 1.00 0.00 C ATOM 1496 C ILE A 92 -8.773 1.069 -1.272 1.00 0.00 C ATOM 1497 O ILE A 92 -9.663 1.837 -0.911 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.166 1.778 -3.702 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.320 1.307 -5.160 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.266 3.018 -3.640 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.032 0.784 -5.799 1.00 0.00 C ATOM 0 H ILE A 92 -10.115 -0.560 -3.376 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.519 0.690 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.179 1.997 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.074 0.520 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.696 2.137 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.657 3.785 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.244 3.401 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.255 2.750 -3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.234 0.475 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.280 1.573 -5.800 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.663 -0.069 -5.229 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.935 0.477 -0.416 1.00 0.00 N ATOM 1514 CA VAL A 93 -7.980 0.673 1.022 1.00 0.00 C ATOM 1515 C VAL A 93 -7.550 2.103 1.338 1.00 0.00 C ATOM 1516 O VAL A 93 -6.370 2.438 1.237 1.00 0.00 O ATOM 1517 CB VAL A 93 -7.089 -0.366 1.727 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -7.030 -0.111 3.241 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.629 -1.781 1.476 1.00 0.00 C ATOM 0 H VAL A 93 -7.197 -0.161 -0.715 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.995 0.528 1.392 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.083 -0.275 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.394 -0.860 3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.620 0.882 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.034 -0.173 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.992 -2.508 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.644 -1.857 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.635 -1.983 0.405 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.515 2.938 1.740 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.235 4.269 2.244 1.00 0.00 C ATOM 1531 C LYS A 94 -7.340 4.180 3.481 1.00 0.00 C ATOM 1532 O LYS A 94 -7.597 3.391 4.389 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.529 5.051 2.507 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.463 4.379 3.524 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.734 5.192 3.796 1.00 0.00 C ATOM 1536 CE LYS A 94 -11.450 6.591 4.363 1.00 0.00 C ATOM 1537 NZ LYS A 94 -11.393 7.622 3.310 1.00 0.00 N ATOM 0 H LYS A 94 -9.507 2.702 1.722 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.692 4.830 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.273 6.048 2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.063 5.178 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.741 3.391 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.925 4.231 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.299 5.291 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.364 4.644 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.225 6.853 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.504 6.576 4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.737 8.527 3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.411 7.734 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.991 7.334 2.509 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.269 4.977 3.496 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.335 5.040 4.605 1.00 0.00 C ATOM 1553 C TRP A 95 -6.026 5.717 5.793 1.00 0.00 C ATOM 1554 O TRP A 95 -6.274 6.921 5.761 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.076 5.795 4.150 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.350 6.558 5.211 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.945 6.082 6.407 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.058 7.982 5.229 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.509 7.126 7.197 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.586 8.331 6.526 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.112 9.006 4.261 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.261 9.655 6.866 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.758 10.324 4.581 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.377 10.658 5.891 1.00 0.00 C ATOM 0 H TRP A 95 -6.030 5.601 2.726 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.027 4.044 4.924 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.385 5.076 3.710 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.359 6.490 3.360 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.960 5.043 6.701 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.173 7.021 8.154 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.431 8.771 3.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.927 9.898 7.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.778 11.087 3.816 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.173 11.687 6.148 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.309 4.949 6.852 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.763 5.508 8.116 1.00 0.00 C ATOM 1577 C ASP A 96 -5.558 6.094 8.851 1.00 0.00 C ATOM 1578 O ASP A 96 -4.498 5.474 8.914 1.00 0.00 O ATOM 1579 CB ASP A 96 -7.452 4.431 8.960 1.00 0.00 C ATOM 1580 CG ASP A 96 -8.017 4.973 10.274 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -8.313 6.187 10.326 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -8.157 4.149 11.203 1.00 0.00 O ATOM 0 H ASP A 96 -6.228 3.932 6.851 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.493 6.297 7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.260 3.984 8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.739 3.636 9.178 1.00 0.00 H new ATOM 1587 N ARG A 97 -5.738 7.299 9.390 1.00 0.00 N ATOM 1588 CA ARG A 97 -4.724 8.060 10.103 1.00 0.00 C ATOM 1589 C ARG A 97 -4.926 7.850 11.606 1.00 0.00 C ATOM 1590 O ARG A 97 -5.010 6.706 12.049 1.00 0.00 O ATOM 1591 CB ARG A 97 -4.758 9.521 9.621 1.00 0.00 C ATOM 1592 CG ARG A 97 -6.129 10.210 9.768 1.00 0.00 C ATOM 1593 CD ARG A 97 -6.516 10.982 8.498 1.00 0.00 C ATOM 1594 NE ARG A 97 -6.626 10.101 7.320 1.00 0.00 N ATOM 1595 CZ ARG A 97 -6.848 10.519 6.060 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -7.056 11.817 5.797 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -6.868 9.633 5.055 1.00 0.00 N ATOM 0 H ARG A 97 -6.632 7.788 9.337 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.712 7.716 9.891 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.017 10.092 10.180 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.460 9.552 8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.891 9.461 9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.103 10.894 10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.467 11.490 8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.772 11.754 8.304 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.526 9.097 7.472 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.047 12.499 6.556 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.223 12.123 4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.715 8.643 5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.036 9.949 4.100 1.00 0.00 H new ATOM 1611 N ASP A 98 -5.012 8.929 12.391 1.00 0.00 N ATOM 1612 CA ASP A 98 -5.373 8.849 13.798 1.00 0.00 C ATOM 1613 C ASP A 98 -6.827 8.382 13.915 1.00 0.00 C ATOM 1614 O ASP A 98 -7.109 7.389 14.582 1.00 0.00 O ATOM 1615 CB ASP A 98 -5.153 10.219 14.451 1.00 0.00 C ATOM 1616 CG ASP A 98 -5.530 10.220 15.931 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -5.014 9.340 16.653 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -6.317 11.112 16.316 1.00 0.00 O ATOM 0 H ASP A 98 -4.832 9.878 12.063 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.746 8.126 14.320 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.107 10.507 14.344 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.745 10.969 13.926 1.00 0.00 H new ATOM 1623 N MET A 99 -7.732 9.096 13.235 1.00 0.00 N ATOM 1624 CA MET A 99 -9.150 8.788 13.123 1.00 0.00 C ATOM 1625 C MET A 99 -9.764 9.639 12.006 1.00 0.00 C ATOM 1626 O MET A 99 -9.046 10.528 11.491 1.00 0.00 O ATOM 1627 CB MET A 99 -9.866 9.009 14.466 1.00 0.00 C ATOM 1628 CG MET A 99 -9.674 10.424 15.024 1.00 0.00 C ATOM 1629 SD MET A 99 -10.455 10.694 16.636 1.00 0.00 S ATOM 1630 CE MET A 99 -9.785 12.332 17.013 1.00 0.00 C ATOM 1631 OXT MET A 99 -10.947 9.393 11.687 1.00 0.00 O ATOM 0 H MET A 99 -7.477 9.943 12.727 1.00 0.00 H new ATOM 0 HA MET A 99 -9.275 7.736 12.867 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.931 8.816 14.339 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.496 8.285 15.192 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.607 10.627 15.111 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.079 11.142 14.311 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.161 12.665 17.980 1.00 0.00 H new ATOM 0 HE2 MET A 99 -8.697 12.281 17.045 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.093 13.038 16.241 1.00 0.00 H new TER 1641 MET A 99