USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 747 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 15 SER OG : rot 170:sc= -0.981 USER MOD Set 1.2: A 36 ASN : amide:sc= -0.908 K(o=-1.9,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -67:sc= 1.1 USER MOD Single : A 26 GLN : amide:sc=-0.00905 X(o=-0.0091,f=0) USER MOD Single : A 28 CYS SG : rot 19:sc= 0.436 USER MOD Single : A 29 HIS : no HE2:sc= -0.0795 K(o=-0.08,f=-0.95) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00992 USER MOD Single : A 38 ASN : amide:sc= -5.48! C(o=-5.5!,f=-8.6!) USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= 1.05 (180deg=-2.11!) USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= -0.37 (180deg=-1.26) USER MOD Single : A 45 GLN :FLIP amide:sc= -1.09 F(o=-1.8,f=-1.1) USER MOD Single : A 47 SER OG : rot -70:sc= 0.0692 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -6.42! C(o=-6.4!,f=-7.5!) USER MOD Single : A 52 CYS SG : rot 129:sc= -2.28! USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -42:sc= 0.691 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -2.24! C(o=-2.2!,f=-4.1!) USER MOD Single : A 81 SER OG : rot 104:sc= 0.776 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-0.77) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0557 USER MOD Single : A 90 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.3) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.311 -2.386 15.139 1.00 0.00 N ATOM 2 CA GLY A 1 -17.584 -3.052 14.918 1.00 0.00 C ATOM 3 C GLY A 1 -18.723 -2.300 15.609 1.00 0.00 C ATOM 4 O GLY A 1 -18.977 -1.135 15.306 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.555 -2.915 14.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.353 -1.420 14.756 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.113 -2.345 16.159 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.783 -3.118 13.848 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.535 -4.073 15.297 1.00 0.00 H new ATOM 8 N SER A 2 -19.380 -2.997 16.525 1.00 0.00 N ATOM 9 CA SER A 2 -20.486 -2.410 17.261 1.00 0.00 C ATOM 10 C SER A 2 -21.610 -2.025 16.298 1.00 0.00 C ATOM 11 O SER A 2 -21.756 -0.855 15.945 1.00 0.00 O ATOM 12 CB SER A 2 -20.029 -1.188 18.060 1.00 0.00 C ATOM 13 OG SER A 2 -18.912 -1.483 18.896 1.00 0.00 O ATOM 0 H SER A 2 -19.167 -3.963 16.774 1.00 0.00 H new ATOM 0 HA SER A 2 -20.860 -3.152 17.966 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.765 -0.384 17.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.855 -0.826 18.673 1.00 0.00 H new ATOM 0 HG SER A 2 -18.650 -0.677 19.388 1.00 0.00 H new ATOM 19 N SER A 3 -22.376 -3.030 15.900 1.00 0.00 N ATOM 20 CA SER A 3 -23.483 -2.810 14.985 1.00 0.00 C ATOM 21 C SER A 3 -22.952 -2.382 13.615 1.00 0.00 C ATOM 22 O SER A 3 -22.471 -1.261 13.455 1.00 0.00 O ATOM 23 CB SER A 3 -24.450 -1.759 15.532 1.00 0.00 C ATOM 24 OG SER A 3 -25.810 -2.168 15.407 1.00 0.00 O ATOM 0 H SER A 3 -22.252 -3.999 16.194 1.00 0.00 H new ATOM 0 HA SER A 3 -24.030 -3.747 14.879 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.224 -1.569 16.581 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.304 -0.819 14.999 1.00 0.00 H new ATOM 0 HG SER A 3 -26.396 -1.471 15.769 1.00 0.00 H new ATOM 30 N GLY A 4 -23.058 -3.296 12.662 1.00 0.00 N ATOM 31 CA GLY A 4 -22.595 -3.027 11.312 1.00 0.00 C ATOM 32 C GLY A 4 -23.521 -2.037 10.602 1.00 0.00 C ATOM 33 O GLY A 4 -24.303 -1.341 11.247 1.00 0.00 O ATOM 0 H GLY A 4 -23.458 -4.224 12.798 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.583 -2.624 11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.550 -3.958 10.747 1.00 0.00 H new ATOM 37 N SER A 5 -23.401 -2.007 9.282 1.00 0.00 N ATOM 38 CA SER A 5 -24.218 -1.114 8.477 1.00 0.00 C ATOM 39 C SER A 5 -23.711 0.323 8.612 1.00 0.00 C ATOM 40 O SER A 5 -23.344 0.951 7.620 1.00 0.00 O ATOM 41 CB SER A 5 -25.690 -1.198 8.885 1.00 0.00 C ATOM 42 OG SER A 5 -26.520 -1.618 7.805 1.00 0.00 O ATOM 0 H SER A 5 -22.751 -2.586 8.751 1.00 0.00 H new ATOM 0 HA SER A 5 -24.139 -1.424 7.435 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.797 -1.895 9.716 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.024 -0.223 9.241 1.00 0.00 H new ATOM 0 HG SER A 5 -27.452 -1.661 8.106 1.00 0.00 H new ATOM 48 N SER A 6 -23.707 0.802 9.847 1.00 0.00 N ATOM 49 CA SER A 6 -23.251 2.153 10.124 1.00 0.00 C ATOM 50 C SER A 6 -21.760 2.142 10.469 1.00 0.00 C ATOM 51 O SER A 6 -21.228 1.123 10.906 1.00 0.00 O ATOM 52 CB SER A 6 -24.055 2.783 11.263 1.00 0.00 C ATOM 53 OG SER A 6 -25.375 3.130 10.856 1.00 0.00 O ATOM 0 H SER A 6 -24.012 0.278 10.667 1.00 0.00 H new ATOM 0 HA SER A 6 -23.406 2.756 9.229 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.105 2.086 12.100 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.540 3.674 11.621 1.00 0.00 H new ATOM 0 HG SER A 6 -25.856 3.527 11.611 1.00 0.00 H new ATOM 59 N GLY A 7 -21.129 3.288 10.261 1.00 0.00 N ATOM 60 CA GLY A 7 -19.710 3.423 10.545 1.00 0.00 C ATOM 61 C GLY A 7 -19.360 4.865 10.919 1.00 0.00 C ATOM 62 O GLY A 7 -19.363 5.750 10.064 1.00 0.00 O ATOM 0 H GLY A 7 -21.574 4.132 9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.434 2.755 11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.131 3.119 9.673 1.00 0.00 H new ATOM 66 N VAL A 8 -19.068 5.057 12.197 1.00 0.00 N ATOM 67 CA VAL A 8 -18.717 6.376 12.694 1.00 0.00 C ATOM 68 C VAL A 8 -17.374 6.801 12.096 1.00 0.00 C ATOM 69 O VAL A 8 -16.469 5.981 11.947 1.00 0.00 O ATOM 70 CB VAL A 8 -18.717 6.376 14.224 1.00 0.00 C ATOM 71 CG1 VAL A 8 -17.580 5.510 14.772 1.00 0.00 C ATOM 72 CG2 VAL A 8 -18.634 7.801 14.773 1.00 0.00 C ATOM 0 H VAL A 8 -19.067 4.321 12.903 1.00 0.00 H new ATOM 0 HA VAL A 8 -19.459 7.111 12.382 1.00 0.00 H new ATOM 0 HB VAL A 8 -19.660 5.943 14.559 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.602 5.527 15.862 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.703 4.485 14.423 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.624 5.901 14.423 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.636 7.772 15.863 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.715 8.272 14.424 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -19.492 8.376 14.424 1.00 0.00 H new ATOM 82 N SER A 9 -17.287 8.083 11.770 1.00 0.00 N ATOM 83 CA SER A 9 -16.070 8.626 11.192 1.00 0.00 C ATOM 84 C SER A 9 -15.112 9.062 12.303 1.00 0.00 C ATOM 85 O SER A 9 -15.383 10.025 13.019 1.00 0.00 O ATOM 86 CB SER A 9 -16.378 9.804 10.266 1.00 0.00 C ATOM 87 OG SER A 9 -16.582 9.385 8.919 1.00 0.00 O ATOM 0 H SER A 9 -18.039 8.760 11.895 1.00 0.00 H new ATOM 0 HA SER A 9 -15.596 7.845 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.268 10.323 10.623 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.556 10.519 10.303 1.00 0.00 H new ATOM 0 HG SER A 9 -16.778 10.166 8.360 1.00 0.00 H new ATOM 93 N GLY A 10 -14.012 8.331 12.412 1.00 0.00 N ATOM 94 CA GLY A 10 -13.013 8.630 13.424 1.00 0.00 C ATOM 95 C GLY A 10 -12.244 9.906 13.075 1.00 0.00 C ATOM 96 O GLY A 10 -11.910 10.137 11.914 1.00 0.00 O ATOM 0 H GLY A 10 -13.791 7.533 11.817 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.496 8.746 14.394 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.318 7.795 13.512 1.00 0.00 H new ATOM 100 N ARG A 11 -11.986 10.702 14.102 1.00 0.00 N ATOM 101 CA ARG A 11 -11.263 11.950 13.919 1.00 0.00 C ATOM 102 C ARG A 11 -9.755 11.694 13.924 1.00 0.00 C ATOM 103 O ARG A 11 -9.261 10.886 14.709 1.00 0.00 O ATOM 104 CB ARG A 11 -11.607 12.953 15.022 1.00 0.00 C ATOM 105 CG ARG A 11 -12.818 13.802 14.632 1.00 0.00 C ATOM 106 CD ARG A 11 -13.581 14.273 15.873 1.00 0.00 C ATOM 107 NE ARG A 11 -14.492 13.205 16.342 1.00 0.00 N ATOM 108 CZ ARG A 11 -15.440 13.381 17.271 1.00 0.00 C ATOM 109 NH1 ARG A 11 -15.608 14.584 17.837 1.00 0.00 N ATOM 110 NH2 ARG A 11 -16.221 12.355 17.635 1.00 0.00 N ATOM 0 H ARG A 11 -12.264 10.507 15.064 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.561 12.369 12.958 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.815 12.421 15.950 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.750 13.600 15.210 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.490 14.665 14.053 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.482 13.222 13.991 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.879 14.537 16.664 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.151 15.172 15.640 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.391 12.277 15.932 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.014 15.365 17.560 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.330 14.718 18.545 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.094 11.439 17.204 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.943 12.490 18.343 1.00 0.00 H new ATOM 124 N GLU A 12 -9.065 12.399 13.039 1.00 0.00 N ATOM 125 CA GLU A 12 -7.622 12.258 12.932 1.00 0.00 C ATOM 126 C GLU A 12 -7.253 10.809 12.610 1.00 0.00 C ATOM 127 O GLU A 12 -8.083 9.910 12.736 1.00 0.00 O ATOM 128 CB GLU A 12 -6.929 12.730 14.211 1.00 0.00 C ATOM 129 CG GLU A 12 -6.353 14.137 14.036 1.00 0.00 C ATOM 130 CD GLU A 12 -6.870 15.080 15.124 1.00 0.00 C ATOM 131 OE1 GLU A 12 -6.438 14.901 16.283 1.00 0.00 O ATOM 132 OE2 GLU A 12 -7.686 15.959 14.772 1.00 0.00 O ATOM 0 H GLU A 12 -9.478 13.069 12.390 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.274 12.891 12.115 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.640 12.725 15.037 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.130 12.036 14.473 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.264 14.095 14.073 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.624 14.525 13.054 1.00 0.00 H new ATOM 139 N PRO A 13 -5.973 10.622 12.190 1.00 0.00 N ATOM 140 CA PRO A 13 -5.483 9.297 11.849 1.00 0.00 C ATOM 141 C PRO A 13 -5.227 8.467 13.108 1.00 0.00 C ATOM 142 O PRO A 13 -4.940 9.016 14.171 1.00 0.00 O ATOM 143 CB PRO A 13 -4.224 9.541 11.033 1.00 0.00 C ATOM 144 CG PRO A 13 -3.799 10.969 11.338 1.00 0.00 C ATOM 145 CD PRO A 13 -4.962 11.663 12.028 1.00 0.00 C ATOM 0 HA PRO A 13 -6.206 8.715 11.277 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.440 8.834 11.304 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.417 9.410 9.968 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.916 10.976 11.977 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.532 11.492 10.420 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.661 12.076 12.991 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.340 12.492 11.429 1.00 0.00 H new ATOM 153 N SER A 14 -5.341 7.156 12.947 1.00 0.00 N ATOM 154 CA SER A 14 -5.126 6.245 14.058 1.00 0.00 C ATOM 155 C SER A 14 -3.695 5.705 14.022 1.00 0.00 C ATOM 156 O SER A 14 -3.174 5.386 12.954 1.00 0.00 O ATOM 157 CB SER A 14 -6.129 5.090 14.025 1.00 0.00 C ATOM 158 OG SER A 14 -7.465 5.538 14.237 1.00 0.00 O ATOM 0 H SER A 14 -5.579 6.704 12.064 1.00 0.00 H new ATOM 0 HA SER A 14 -5.277 6.796 14.986 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.065 4.582 13.063 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.866 4.359 14.790 1.00 0.00 H new ATOM 0 HG SER A 14 -8.076 4.772 14.207 1.00 0.00 H new ATOM 164 N SER A 15 -3.099 5.619 15.202 1.00 0.00 N ATOM 165 CA SER A 15 -1.738 5.123 15.319 1.00 0.00 C ATOM 166 C SER A 15 -0.757 6.144 14.740 1.00 0.00 C ATOM 167 O SER A 15 -1.151 7.022 13.972 1.00 0.00 O ATOM 168 CB SER A 15 -1.580 3.775 14.613 1.00 0.00 C ATOM 169 OG SER A 15 -2.838 3.158 14.352 1.00 0.00 O ATOM 0 H SER A 15 -3.534 5.884 16.086 1.00 0.00 H new ATOM 0 HA SER A 15 -1.518 4.976 16.376 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.045 3.918 13.674 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.972 3.112 15.229 1.00 0.00 H new ATOM 0 HG SER A 15 -2.708 2.386 13.763 1.00 0.00 H new ATOM 175 N ARG A 16 0.500 5.997 15.129 1.00 0.00 N ATOM 176 CA ARG A 16 1.540 6.895 14.658 1.00 0.00 C ATOM 177 C ARG A 16 1.828 6.644 13.177 1.00 0.00 C ATOM 178 O ARG A 16 2.182 5.531 12.790 1.00 0.00 O ATOM 179 CB ARG A 16 2.831 6.713 15.460 1.00 0.00 C ATOM 180 CG ARG A 16 3.441 8.066 15.832 1.00 0.00 C ATOM 181 CD ARG A 16 4.770 8.286 15.106 1.00 0.00 C ATOM 182 NE ARG A 16 5.768 8.855 16.039 1.00 0.00 N ATOM 183 CZ ARG A 16 6.983 9.281 15.671 1.00 0.00 C ATOM 184 NH1 ARG A 16 7.359 9.205 14.387 1.00 0.00 N ATOM 185 NH2 ARG A 16 7.824 9.783 16.586 1.00 0.00 N ATOM 0 H ARG A 16 0.822 5.268 15.766 1.00 0.00 H new ATOM 0 HA ARG A 16 1.182 7.916 14.794 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.624 6.142 16.365 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.548 6.135 14.876 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.746 8.865 15.576 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.599 8.114 16.909 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.134 7.341 14.703 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.625 8.959 14.261 1.00 0.00 H new ATOM 0 HE ARG A 16 5.514 8.927 17.024 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.720 8.823 13.690 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.284 9.529 14.107 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.539 9.841 17.564 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.749 10.107 16.305 1.00 0.00 H new ATOM 199 N ILE A 17 1.666 7.696 12.388 1.00 0.00 N ATOM 200 CA ILE A 17 1.903 7.603 10.958 1.00 0.00 C ATOM 201 C ILE A 17 3.403 7.739 10.685 1.00 0.00 C ATOM 202 O ILE A 17 4.111 8.429 11.417 1.00 0.00 O ATOM 203 CB ILE A 17 1.046 8.622 10.205 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.396 8.608 10.714 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.122 8.393 8.694 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.112 7.321 10.300 1.00 0.00 C ATOM 0 H ILE A 17 1.373 8.618 12.713 1.00 0.00 H new ATOM 0 HA ILE A 17 1.597 6.626 10.584 1.00 0.00 H new ATOM 0 HB ILE A 17 1.447 9.616 10.401 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.403 8.699 11.800 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.933 9.470 10.319 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.504 9.131 8.183 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.155 8.493 8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.761 7.392 8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.135 7.337 10.675 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.125 7.246 9.213 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.586 6.462 10.717 1.00 0.00 H new ATOM 218 N ILE A 18 3.843 7.070 9.629 1.00 0.00 N ATOM 219 CA ILE A 18 5.245 7.108 9.250 1.00 0.00 C ATOM 220 C ILE A 18 5.361 7.529 7.784 1.00 0.00 C ATOM 221 O ILE A 18 4.382 7.481 7.041 1.00 0.00 O ATOM 222 CB ILE A 18 5.920 5.771 9.561 1.00 0.00 C ATOM 223 CG1 ILE A 18 5.083 4.600 9.044 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.221 5.644 11.056 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.944 3.350 8.857 1.00 0.00 C ATOM 0 H ILE A 18 3.253 6.499 9.024 1.00 0.00 H new ATOM 0 HA ILE A 18 5.779 7.853 9.839 1.00 0.00 H new ATOM 0 HB ILE A 18 6.875 5.740 9.036 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.276 4.388 9.745 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.619 4.871 8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.701 4.685 11.250 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.886 6.451 11.363 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.291 5.706 11.621 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.324 2.533 8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.736 3.558 8.137 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.387 3.067 9.812 1.00 0.00 H new ATOM 237 N ARG A 19 6.567 7.932 7.411 1.00 0.00 N ATOM 238 CA ARG A 19 6.824 8.361 6.047 1.00 0.00 C ATOM 239 C ARG A 19 7.405 7.207 5.228 1.00 0.00 C ATOM 240 O ARG A 19 8.586 6.885 5.352 1.00 0.00 O ATOM 241 CB ARG A 19 7.799 9.541 6.015 1.00 0.00 C ATOM 242 CG ARG A 19 7.956 10.083 4.593 1.00 0.00 C ATOM 243 CD ARG A 19 8.897 11.289 4.567 1.00 0.00 C ATOM 244 NE ARG A 19 10.269 10.854 4.224 1.00 0.00 N ATOM 245 CZ ARG A 19 11.211 11.665 3.724 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.935 12.958 3.505 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.429 11.183 3.442 1.00 0.00 N ATOM 0 H ARG A 19 7.377 7.970 8.030 1.00 0.00 H new ATOM 0 HA ARG A 19 5.875 8.676 5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.439 10.333 6.672 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.770 9.226 6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.345 9.300 3.942 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.981 10.370 4.199 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.545 12.019 3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.896 11.783 5.539 1.00 0.00 H new ATOM 0 HE ARG A 19 10.513 9.876 4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.008 13.325 3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.652 13.575 3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.639 10.199 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.146 11.800 3.061 1.00 0.00 H new ATOM 261 N VAL A 20 6.548 6.615 4.408 1.00 0.00 N ATOM 262 CA VAL A 20 6.961 5.503 3.569 1.00 0.00 C ATOM 263 C VAL A 20 7.069 5.977 2.118 1.00 0.00 C ATOM 264 O VAL A 20 6.076 6.391 1.522 1.00 0.00 O ATOM 265 CB VAL A 20 5.996 4.328 3.744 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.392 3.155 2.846 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.920 3.896 5.210 1.00 0.00 C ATOM 0 H VAL A 20 5.570 6.885 4.307 1.00 0.00 H new ATOM 0 HA VAL A 20 7.946 5.144 3.868 1.00 0.00 H new ATOM 0 HB VAL A 20 5.003 4.661 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.690 2.334 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.371 3.472 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.397 2.823 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.228 3.060 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.909 3.590 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.569 4.730 5.817 1.00 0.00 H new ATOM 277 N SER A 21 8.283 5.901 1.593 1.00 0.00 N ATOM 278 CA SER A 21 8.533 6.318 0.224 1.00 0.00 C ATOM 279 C SER A 21 8.036 5.245 -0.748 1.00 0.00 C ATOM 280 O SER A 21 8.593 4.150 -0.807 1.00 0.00 O ATOM 281 CB SER A 21 10.020 6.594 -0.005 1.00 0.00 C ATOM 282 OG SER A 21 10.389 7.906 0.408 1.00 0.00 O ATOM 0 H SER A 21 9.104 5.557 2.091 1.00 0.00 H new ATOM 0 HA SER A 21 7.988 7.244 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.613 5.861 0.542 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.254 6.468 -1.062 1.00 0.00 H new ATOM 0 HG SER A 21 11.346 8.043 0.247 1.00 0.00 H new ATOM 288 N VAL A 22 6.995 5.598 -1.487 1.00 0.00 N ATOM 289 CA VAL A 22 6.417 4.680 -2.454 1.00 0.00 C ATOM 290 C VAL A 22 7.113 4.863 -3.804 1.00 0.00 C ATOM 291 O VAL A 22 7.085 5.950 -4.378 1.00 0.00 O ATOM 292 CB VAL A 22 4.903 4.884 -2.529 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.315 4.181 -3.754 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.220 4.409 -1.245 1.00 0.00 C ATOM 0 H VAL A 22 6.536 6.508 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 22 6.577 3.648 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 22 4.715 5.953 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.237 4.342 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.767 4.587 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.521 3.112 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.144 4.566 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.422 3.348 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.606 4.974 -0.397 1.00 0.00 H new ATOM 304 N LYS A 23 7.722 3.782 -4.271 1.00 0.00 N ATOM 305 CA LYS A 23 8.424 3.810 -5.543 1.00 0.00 C ATOM 306 C LYS A 23 7.535 3.194 -6.625 1.00 0.00 C ATOM 307 O LYS A 23 7.181 2.018 -6.548 1.00 0.00 O ATOM 308 CB LYS A 23 9.792 3.137 -5.414 1.00 0.00 C ATOM 309 CG LYS A 23 10.859 3.912 -6.189 1.00 0.00 C ATOM 310 CD LYS A 23 11.414 5.066 -5.353 1.00 0.00 C ATOM 311 CE LYS A 23 12.891 4.842 -5.020 1.00 0.00 C ATOM 312 NZ LYS A 23 13.504 6.090 -4.513 1.00 0.00 N ATOM 0 H LYS A 23 7.744 2.882 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 23 8.627 4.838 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.074 3.076 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.735 2.115 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.669 3.240 -6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.432 4.301 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.299 6.003 -5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.840 5.161 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.986 4.054 -4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.423 4.504 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.506 5.920 -4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.430 6.832 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.007 6.396 -3.652 1.00 0.00 H new ATOM 326 N THR A 24 7.198 4.016 -7.608 1.00 0.00 N ATOM 327 CA THR A 24 6.357 3.567 -8.704 1.00 0.00 C ATOM 328 C THR A 24 7.159 3.516 -10.006 1.00 0.00 C ATOM 329 O THR A 24 8.179 4.191 -10.137 1.00 0.00 O ATOM 330 CB THR A 24 5.140 4.492 -8.776 1.00 0.00 C ATOM 331 OG1 THR A 24 5.642 5.678 -9.386 1.00 0.00 O ATOM 332 CG2 THR A 24 4.672 4.952 -7.394 1.00 0.00 C ATOM 0 H THR A 24 7.492 4.991 -7.668 1.00 0.00 H new ATOM 0 HA THR A 24 6.001 2.550 -8.538 1.00 0.00 H new ATOM 0 HB THR A 24 4.323 3.979 -9.283 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.277 6.114 -8.780 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.806 5.606 -7.502 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.398 4.084 -6.795 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.477 5.495 -6.899 1.00 0.00 H new ATOM 340 N PRO A 25 6.655 2.687 -10.959 1.00 0.00 N ATOM 341 CA PRO A 25 7.314 2.539 -12.246 1.00 0.00 C ATOM 342 C PRO A 25 7.069 3.762 -13.131 1.00 0.00 C ATOM 343 O PRO A 25 6.449 3.654 -14.188 1.00 0.00 O ATOM 344 CB PRO A 25 6.746 1.257 -12.833 1.00 0.00 C ATOM 345 CG PRO A 25 5.459 0.984 -12.072 1.00 0.00 C ATOM 346 CD PRO A 25 5.450 1.872 -10.838 1.00 0.00 C ATOM 0 HA PRO A 25 8.399 2.475 -12.159 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.553 1.368 -13.900 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.449 0.431 -12.721 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.593 1.194 -12.699 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.400 -0.066 -11.787 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.554 2.492 -10.803 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.463 1.279 -9.923 1.00 0.00 H new ATOM 354 N GLN A 26 7.569 4.898 -12.667 1.00 0.00 N ATOM 355 CA GLN A 26 7.413 6.141 -13.404 1.00 0.00 C ATOM 356 C GLN A 26 7.941 7.316 -12.579 1.00 0.00 C ATOM 357 O GLN A 26 8.766 8.094 -13.058 1.00 0.00 O ATOM 358 CB GLN A 26 5.952 6.362 -13.801 1.00 0.00 C ATOM 359 CG GLN A 26 5.805 6.450 -15.321 1.00 0.00 C ATOM 360 CD GLN A 26 4.436 7.015 -15.708 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.136 8.180 -15.503 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.626 6.127 -16.276 1.00 0.00 N ATOM 0 H GLN A 26 8.082 4.984 -11.790 1.00 0.00 H new ATOM 0 HA GLN A 26 7.998 6.074 -14.321 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.340 5.545 -13.419 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.581 7.279 -13.342 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.592 7.083 -15.730 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.931 5.460 -15.760 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.941 5.167 -16.418 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.690 6.405 -16.570 1.00 0.00 H new ATOM 371 N ASP A 27 7.445 7.410 -11.355 1.00 0.00 N ATOM 372 CA ASP A 27 7.856 8.477 -10.459 1.00 0.00 C ATOM 373 C ASP A 27 7.958 7.931 -9.034 1.00 0.00 C ATOM 374 O ASP A 27 7.705 6.751 -8.798 1.00 0.00 O ATOM 375 CB ASP A 27 6.837 9.618 -10.457 1.00 0.00 C ATOM 376 CG ASP A 27 7.439 11.023 -10.397 1.00 0.00 C ATOM 377 OD1 ASP A 27 8.572 11.178 -10.904 1.00 0.00 O ATOM 378 OD2 ASP A 27 6.754 11.911 -9.845 1.00 0.00 O ATOM 0 H ASP A 27 6.761 6.764 -10.962 1.00 0.00 H new ATOM 0 HA ASP A 27 8.819 8.854 -10.804 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.225 9.540 -11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.170 9.488 -9.604 1.00 0.00 H new ATOM 383 N CYS A 28 8.327 8.816 -8.120 1.00 0.00 N ATOM 384 CA CYS A 28 8.465 8.438 -6.724 1.00 0.00 C ATOM 385 C CYS A 28 7.516 9.305 -5.895 1.00 0.00 C ATOM 386 O CYS A 28 7.388 10.503 -6.143 1.00 0.00 O ATOM 387 CB CYS A 28 9.913 8.559 -6.245 1.00 0.00 C ATOM 388 SG CYS A 28 10.401 10.320 -6.165 1.00 0.00 S ATOM 0 H CYS A 28 8.535 9.795 -8.319 1.00 0.00 H new ATOM 0 HA CYS A 28 8.197 7.388 -6.601 1.00 0.00 H new ATOM 0 HB2 CYS A 28 10.019 8.099 -5.263 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.575 8.020 -6.923 1.00 0.00 H new ATOM 0 HG CYS A 28 9.336 11.064 -6.128 1.00 0.00 H new ATOM 394 N HIS A 29 6.875 8.667 -4.927 1.00 0.00 N ATOM 395 CA HIS A 29 5.941 9.365 -4.060 1.00 0.00 C ATOM 396 C HIS A 29 6.209 8.983 -2.603 1.00 0.00 C ATOM 397 O HIS A 29 6.905 8.006 -2.332 1.00 0.00 O ATOM 398 CB HIS A 29 4.497 9.096 -4.488 1.00 0.00 C ATOM 399 CG HIS A 29 3.564 10.264 -4.272 1.00 0.00 C ATOM 400 ND1 HIS A 29 2.238 10.107 -3.908 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.780 11.607 -4.372 1.00 0.00 C ATOM 402 CE1 HIS A 29 1.690 11.308 -3.798 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.647 12.236 -4.086 1.00 0.00 N ATOM 0 H HIS A 29 6.984 7.673 -4.724 1.00 0.00 H new ATOM 0 HA HIS A 29 6.090 10.441 -4.150 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.486 8.826 -5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.119 8.236 -3.935 1.00 0.00 H new ATOM 0 HD1 HIS A 29 1.763 9.218 -3.751 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.714 12.078 -4.639 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.665 11.516 -3.528 1.00 0.00 H new ATOM 411 N GLU A 30 5.642 9.773 -1.704 1.00 0.00 N ATOM 412 CA GLU A 30 5.811 9.530 -0.281 1.00 0.00 C ATOM 413 C GLU A 30 4.448 9.451 0.409 1.00 0.00 C ATOM 414 O GLU A 30 3.745 10.454 0.522 1.00 0.00 O ATOM 415 CB GLU A 30 6.687 10.608 0.359 1.00 0.00 C ATOM 416 CG GLU A 30 5.986 11.968 0.341 1.00 0.00 C ATOM 417 CD GLU A 30 6.989 13.100 0.111 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.495 13.186 -1.029 1.00 0.00 O ATOM 419 OE2 GLU A 30 7.227 13.853 1.080 1.00 0.00 O ATOM 0 H GLU A 30 5.065 10.582 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 30 6.318 8.573 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.920 10.329 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.634 10.676 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.231 11.981 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.465 12.125 1.286 1.00 0.00 H new ATOM 426 N PHE A 31 4.114 8.248 0.853 1.00 0.00 N ATOM 427 CA PHE A 31 2.848 8.024 1.529 1.00 0.00 C ATOM 428 C PHE A 31 3.027 8.044 3.049 1.00 0.00 C ATOM 429 O PHE A 31 4.100 7.719 3.555 1.00 0.00 O ATOM 430 CB PHE A 31 2.352 6.640 1.104 1.00 0.00 C ATOM 431 CG PHE A 31 1.673 6.617 -0.267 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.371 6.977 -1.378 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.372 6.236 -0.376 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.742 6.955 -2.650 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.258 6.215 -1.648 1.00 0.00 C ATOM 436 CZ PHE A 31 0.440 6.574 -2.758 1.00 0.00 C ATOM 0 H PHE A 31 4.699 7.418 0.758 1.00 0.00 H new ATOM 0 HA PHE A 31 2.140 8.809 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.196 5.951 1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.650 6.271 1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.404 7.280 -1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.182 5.949 0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.296 7.240 -3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.292 5.914 -1.734 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.039 6.557 -3.726 1.00 0.00 H new ATOM 446 N PHE A 32 1.959 8.427 3.733 1.00 0.00 N ATOM 447 CA PHE A 32 1.985 8.493 5.184 1.00 0.00 C ATOM 448 C PHE A 32 0.778 7.772 5.788 1.00 0.00 C ATOM 449 O PHE A 32 -0.335 8.297 5.774 1.00 0.00 O ATOM 450 CB PHE A 32 1.921 9.974 5.566 1.00 0.00 C ATOM 451 CG PHE A 32 3.287 10.661 5.619 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.857 11.132 4.478 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.932 10.802 6.809 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.125 11.770 4.528 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.199 11.440 6.859 1.00 0.00 C ATOM 456 CZ PHE A 32 5.769 11.910 5.717 1.00 0.00 C ATOM 0 H PHE A 32 1.071 8.695 3.309 1.00 0.00 H new ATOM 0 HA PHE A 32 2.888 8.013 5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.290 10.497 4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.440 10.067 6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.345 11.021 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.480 10.428 7.716 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.578 12.144 3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.710 11.552 7.804 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.733 12.395 5.755 1.00 0.00 H new ATOM 466 N LEU A 33 1.038 6.579 6.303 1.00 0.00 N ATOM 467 CA LEU A 33 -0.013 5.780 6.910 1.00 0.00 C ATOM 468 C LEU A 33 0.498 5.187 8.225 1.00 0.00 C ATOM 469 O LEU A 33 1.700 5.189 8.485 1.00 0.00 O ATOM 470 CB LEU A 33 -0.527 4.732 5.922 1.00 0.00 C ATOM 471 CG LEU A 33 0.459 3.624 5.545 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.781 4.213 5.048 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.665 2.654 6.710 1.00 0.00 C ATOM 0 H LEU A 33 1.962 6.146 6.312 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.873 6.404 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.418 4.269 6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.835 5.242 5.010 1.00 0.00 H new ATOM 0 HG LEU A 33 0.032 3.052 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.464 3.405 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.597 4.831 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.225 4.824 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.370 1.876 6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.060 3.196 7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.288 2.198 6.976 1.00 0.00 H new ATOM 485 N ALA A 34 -0.441 4.695 9.019 1.00 0.00 N ATOM 486 CA ALA A 34 -0.101 4.100 10.300 1.00 0.00 C ATOM 487 C ALA A 34 1.062 3.124 10.112 1.00 0.00 C ATOM 488 O ALA A 34 1.030 2.279 9.219 1.00 0.00 O ATOM 489 CB ALA A 34 -1.338 3.424 10.894 1.00 0.00 C ATOM 0 H ALA A 34 -1.437 4.696 8.800 1.00 0.00 H new ATOM 0 HA ALA A 34 0.222 4.866 11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.083 2.978 11.855 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.125 4.165 11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.689 2.647 10.215 1.00 0.00 H new ATOM 495 N GLU A 35 2.063 3.274 10.968 1.00 0.00 N ATOM 496 CA GLU A 35 3.234 2.416 10.907 1.00 0.00 C ATOM 497 C GLU A 35 2.842 0.962 11.178 1.00 0.00 C ATOM 498 O GLU A 35 3.549 0.040 10.776 1.00 0.00 O ATOM 499 CB GLU A 35 4.310 2.886 11.889 1.00 0.00 C ATOM 500 CG GLU A 35 3.799 2.830 13.330 1.00 0.00 C ATOM 501 CD GLU A 35 4.861 2.248 14.265 1.00 0.00 C ATOM 502 OE1 GLU A 35 6.040 2.625 14.090 1.00 0.00 O ATOM 503 OE2 GLU A 35 4.470 1.440 15.135 1.00 0.00 O ATOM 0 H GLU A 35 2.087 3.977 11.707 1.00 0.00 H new ATOM 0 HA GLU A 35 3.653 2.477 9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.197 2.260 11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.610 3.905 11.645 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.526 3.832 13.662 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.896 2.222 13.376 1.00 0.00 H new ATOM 510 N ASN A 36 1.717 0.803 11.859 1.00 0.00 N ATOM 511 CA ASN A 36 1.222 -0.522 12.189 1.00 0.00 C ATOM 512 C ASN A 36 -0.088 -0.774 11.441 1.00 0.00 C ATOM 513 O ASN A 36 -1.092 -1.144 12.048 1.00 0.00 O ATOM 514 CB ASN A 36 0.943 -0.649 13.688 1.00 0.00 C ATOM 515 CG ASN A 36 0.257 0.608 14.226 1.00 0.00 C ATOM 516 OD1 ASN A 36 -0.479 1.290 13.533 1.00 0.00 O ATOM 517 ND2 ASN A 36 0.540 0.876 15.498 1.00 0.00 N ATOM 0 H ASN A 36 1.134 1.571 12.192 1.00 0.00 H new ATOM 0 HA ASN A 36 1.984 -1.247 11.902 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.312 -1.519 13.872 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.878 -0.815 14.223 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.132 1.695 15.950 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.165 0.263 16.022 1.00 0.00 H new ATOM 524 N SER A 37 -0.037 -0.563 10.134 1.00 0.00 N ATOM 525 CA SER A 37 -1.208 -0.762 9.297 1.00 0.00 C ATOM 526 C SER A 37 -0.952 -1.896 8.302 1.00 0.00 C ATOM 527 O SER A 37 -0.065 -1.796 7.456 1.00 0.00 O ATOM 528 CB SER A 37 -1.579 0.523 8.554 1.00 0.00 C ATOM 529 OG SER A 37 -2.921 0.923 8.817 1.00 0.00 O ATOM 0 H SER A 37 0.797 -0.256 9.634 1.00 0.00 H new ATOM 0 HA SER A 37 -2.046 -1.032 9.939 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.898 1.322 8.849 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.449 0.373 7.482 1.00 0.00 H new ATOM 0 HG SER A 37 -3.119 1.748 8.326 1.00 0.00 H new ATOM 535 N ASN A 38 -1.747 -2.948 8.436 1.00 0.00 N ATOM 536 CA ASN A 38 -1.618 -4.099 7.558 1.00 0.00 C ATOM 537 C ASN A 38 -1.326 -3.620 6.135 1.00 0.00 C ATOM 538 O ASN A 38 -1.638 -2.484 5.782 1.00 0.00 O ATOM 539 CB ASN A 38 -2.912 -4.915 7.527 1.00 0.00 C ATOM 540 CG ASN A 38 -4.136 -3.999 7.468 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.343 -3.142 8.312 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.933 -4.227 6.428 1.00 0.00 N ATOM 0 H ASN A 38 -2.482 -3.027 9.139 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.807 -4.722 7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.907 -5.578 6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.969 -5.547 8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.777 -3.668 6.300 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.701 -4.961 5.758 1.00 0.00 H new ATOM 549 N VAL A 39 -0.730 -4.511 5.356 1.00 0.00 N ATOM 550 CA VAL A 39 -0.392 -4.193 3.979 1.00 0.00 C ATOM 551 C VAL A 39 -1.652 -3.735 3.242 1.00 0.00 C ATOM 552 O VAL A 39 -1.632 -2.725 2.539 1.00 0.00 O ATOM 553 CB VAL A 39 0.285 -5.395 3.316 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.248 -5.272 1.791 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.720 -5.562 3.818 1.00 0.00 C ATOM 0 H VAL A 39 -0.473 -5.453 5.652 1.00 0.00 H new ATOM 0 HA VAL A 39 0.323 -3.372 3.941 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.273 -6.289 3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.735 -6.139 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.788 -5.225 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.770 -4.365 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.178 -6.423 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.294 -4.665 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.712 -5.717 4.897 1.00 0.00 H new ATOM 565 N ARG A 40 -2.718 -4.499 3.427 1.00 0.00 N ATOM 566 CA ARG A 40 -3.985 -4.184 2.789 1.00 0.00 C ATOM 567 C ARG A 40 -4.278 -2.687 2.902 1.00 0.00 C ATOM 568 O ARG A 40 -4.355 -1.987 1.893 1.00 0.00 O ATOM 569 CB ARG A 40 -5.133 -4.971 3.424 1.00 0.00 C ATOM 570 CG ARG A 40 -6.080 -5.519 2.355 1.00 0.00 C ATOM 571 CD ARG A 40 -7.025 -6.568 2.944 1.00 0.00 C ATOM 572 NE ARG A 40 -8.249 -6.667 2.118 1.00 0.00 N ATOM 573 CZ ARG A 40 -9.248 -5.774 2.144 1.00 0.00 C ATOM 574 NH1 ARG A 40 -9.174 -4.710 2.954 1.00 0.00 N ATOM 575 NH2 ARG A 40 -10.320 -5.946 1.359 1.00 0.00 N ATOM 0 H ARG A 40 -2.731 -5.336 4.010 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.906 -4.464 1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.731 -5.794 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.685 -4.327 4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.660 -4.702 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.501 -5.961 1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.526 -7.536 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.288 -6.299 3.967 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.338 -7.465 1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.357 -4.579 3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.934 -4.030 2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.376 -6.756 0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.081 -5.267 1.378 1.00 0.00 H new ATOM 589 N ARG A 41 -4.435 -2.239 4.139 1.00 0.00 N ATOM 590 CA ARG A 41 -4.718 -0.837 4.398 1.00 0.00 C ATOM 591 C ARG A 41 -3.764 0.053 3.598 1.00 0.00 C ATOM 592 O ARG A 41 -4.203 0.943 2.871 1.00 0.00 O ATOM 593 CB ARG A 41 -4.580 -0.512 5.886 1.00 0.00 C ATOM 594 CG ARG A 41 -5.837 -0.923 6.656 1.00 0.00 C ATOM 595 CD ARG A 41 -6.175 0.101 7.741 1.00 0.00 C ATOM 596 NE ARG A 41 -7.460 -0.250 8.386 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.657 -0.106 7.803 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.742 0.382 6.558 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.771 -0.451 8.464 1.00 0.00 N ATOM 0 H ARG A 41 -4.372 -2.822 4.973 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.746 -0.644 4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.713 -1.029 6.296 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.404 0.556 6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.676 -1.017 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.686 -1.902 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.380 0.129 8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.238 1.098 7.305 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.432 -0.625 9.334 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.895 0.644 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.654 0.492 6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.707 -0.823 9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.682 -0.341 8.020 1.00 0.00 H new ATOM 613 N PHE A 42 -2.478 -0.217 3.760 1.00 0.00 N ATOM 614 CA PHE A 42 -1.458 0.548 3.062 1.00 0.00 C ATOM 615 C PHE A 42 -1.767 0.637 1.567 1.00 0.00 C ATOM 616 O PHE A 42 -1.587 1.688 0.954 1.00 0.00 O ATOM 617 CB PHE A 42 -0.133 -0.193 3.254 1.00 0.00 C ATOM 618 CG PHE A 42 1.097 0.612 2.828 1.00 0.00 C ATOM 619 CD1 PHE A 42 0.956 1.897 2.406 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.331 0.042 2.872 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.097 2.644 2.011 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.472 0.789 2.477 1.00 0.00 C ATOM 623 CZ PHE A 42 3.331 2.074 2.055 1.00 0.00 C ATOM 0 H PHE A 42 -2.118 -0.955 4.365 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.418 1.563 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.030 -0.466 4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.162 -1.122 2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.024 2.349 2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.443 -0.979 3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.985 3.665 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.452 0.337 2.512 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.199 2.642 1.755 1.00 0.00 H new ATOM 633 N LYS A 43 -2.228 -0.479 1.022 1.00 0.00 N ATOM 634 CA LYS A 43 -2.564 -0.540 -0.390 1.00 0.00 C ATOM 635 C LYS A 43 -3.704 0.438 -0.681 1.00 0.00 C ATOM 636 O LYS A 43 -3.632 1.215 -1.632 1.00 0.00 O ATOM 637 CB LYS A 43 -2.868 -1.981 -0.807 1.00 0.00 C ATOM 638 CG LYS A 43 -1.592 -2.825 -0.833 1.00 0.00 C ATOM 639 CD LYS A 43 -1.922 -4.316 -0.915 1.00 0.00 C ATOM 640 CE LYS A 43 -0.864 -5.069 -1.723 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.331 -6.437 -2.042 1.00 0.00 N ATOM 0 H LYS A 43 -2.377 -1.349 1.533 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.714 -0.230 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.585 -2.421 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.333 -1.988 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.979 -2.537 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.003 -2.628 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.983 -4.734 0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.900 -4.451 -1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.649 -4.528 -2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.067 -5.119 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.648 -7.131 -1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.258 -6.599 -1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.416 -6.543 -3.073 1.00 0.00 H new ATOM 655 N LYS A 44 -4.730 0.366 0.154 1.00 0.00 N ATOM 656 CA LYS A 44 -5.884 1.236 -0.002 1.00 0.00 C ATOM 657 C LYS A 44 -5.410 2.646 -0.359 1.00 0.00 C ATOM 658 O LYS A 44 -5.890 3.241 -1.322 1.00 0.00 O ATOM 659 CB LYS A 44 -6.768 1.182 1.246 1.00 0.00 C ATOM 660 CG LYS A 44 -7.206 -0.253 1.545 1.00 0.00 C ATOM 661 CD LYS A 44 -8.332 -0.278 2.581 1.00 0.00 C ATOM 662 CE LYS A 44 -9.158 -1.561 2.462 1.00 0.00 C ATOM 663 NZ LYS A 44 -9.900 -1.816 3.717 1.00 0.00 N ATOM 0 H LYS A 44 -4.787 -0.281 0.941 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.512 0.893 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.223 1.585 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.646 1.812 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.542 -0.733 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.356 -0.827 1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.910 -0.204 3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.978 0.589 2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.857 -1.475 1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.503 -2.404 2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.775 -2.336 3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.310 -2.381 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.137 -0.910 4.170 1.00 0.00 H new ATOM 677 N GLN A 45 -4.472 3.140 0.437 1.00 0.00 N ATOM 678 CA GLN A 45 -3.928 4.469 0.217 1.00 0.00 C ATOM 679 C GLN A 45 -3.455 4.616 -1.230 1.00 0.00 C ATOM 680 O GLN A 45 -3.772 5.602 -1.894 1.00 0.00 O ATOM 681 CB GLN A 45 -2.792 4.766 1.198 1.00 0.00 C ATOM 682 CG GLN A 45 -3.055 6.064 1.965 1.00 0.00 C ATOM 683 CD GLN A 45 -1.889 7.041 1.804 1.00 0.00 C ATOM 684 OE1 GLN A 45 -0.849 6.777 2.589 1.00 0.00 O flip ATOM 685 NE2 GLN A 45 -1.930 7.974 1.018 1.00 0.00 N flip ATOM 0 H GLN A 45 -4.075 2.643 1.235 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.718 5.198 0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.688 3.939 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.850 4.844 0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.974 6.525 1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.205 5.842 3.022 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.760 8.121 0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.134 8.607 0.936 1.00 0.00 H new ATOM 694 N ILE A 46 -2.702 3.621 -1.677 1.00 0.00 N ATOM 695 CA ILE A 46 -2.182 3.627 -3.034 1.00 0.00 C ATOM 696 C ILE A 46 -3.348 3.580 -4.023 1.00 0.00 C ATOM 697 O ILE A 46 -3.495 4.471 -4.858 1.00 0.00 O ATOM 698 CB ILE A 46 -1.169 2.497 -3.224 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.042 2.591 -2.193 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.633 2.475 -4.657 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.489 1.202 -1.833 1.00 0.00 C ATOM 0 H ILE A 46 -2.440 2.805 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.636 4.550 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.681 1.549 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.768 3.203 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.407 3.089 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.085 1.662 -4.764 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.459 2.324 -5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.143 3.423 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.289 1.297 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.318 0.601 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.875 0.717 -2.729 1.00 0.00 H new ATOM 713 N SER A 47 -4.149 2.532 -3.896 1.00 0.00 N ATOM 714 CA SER A 47 -5.297 2.357 -4.768 1.00 0.00 C ATOM 715 C SER A 47 -6.040 3.685 -4.928 1.00 0.00 C ATOM 716 O SER A 47 -6.495 4.019 -6.021 1.00 0.00 O ATOM 717 CB SER A 47 -6.242 1.282 -4.227 1.00 0.00 C ATOM 718 OG SER A 47 -7.441 1.843 -3.698 1.00 0.00 O ATOM 0 H SER A 47 -4.025 1.795 -3.202 1.00 0.00 H new ATOM 0 HA SER A 47 -4.938 2.029 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.490 0.582 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.735 0.711 -3.449 1.00 0.00 H new ATOM 0 HG SER A 47 -7.239 2.325 -2.869 1.00 0.00 H new ATOM 724 N LYS A 48 -6.139 4.408 -3.822 1.00 0.00 N ATOM 725 CA LYS A 48 -6.819 5.692 -3.825 1.00 0.00 C ATOM 726 C LYS A 48 -6.119 6.632 -4.808 1.00 0.00 C ATOM 727 O LYS A 48 -6.667 6.956 -5.861 1.00 0.00 O ATOM 728 CB LYS A 48 -6.917 6.250 -2.404 1.00 0.00 C ATOM 729 CG LYS A 48 -7.835 5.386 -1.537 1.00 0.00 C ATOM 730 CD LYS A 48 -9.049 6.185 -1.058 1.00 0.00 C ATOM 731 CE LYS A 48 -10.298 5.304 -1.002 1.00 0.00 C ATOM 732 NZ LYS A 48 -11.326 5.917 -0.131 1.00 0.00 N ATOM 0 H LYS A 48 -5.759 4.129 -2.917 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.847 5.578 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.924 6.293 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.297 7.271 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.168 4.518 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.281 5.010 -0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.848 6.601 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.223 7.026 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.699 5.167 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.036 4.315 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.167 5.306 -0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.946 6.026 0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.588 6.851 -0.507 1.00 0.00 H new ATOM 746 N TYR A 49 -4.918 7.044 -4.430 1.00 0.00 N ATOM 747 CA TYR A 49 -4.137 7.941 -5.265 1.00 0.00 C ATOM 748 C TYR A 49 -3.909 7.338 -6.653 1.00 0.00 C ATOM 749 O TYR A 49 -4.311 7.919 -7.660 1.00 0.00 O ATOM 750 CB TYR A 49 -2.787 8.101 -4.564 1.00 0.00 C ATOM 751 CG TYR A 49 -1.805 9.011 -5.306 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.086 10.353 -5.455 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.638 8.488 -5.825 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.162 11.209 -6.153 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.286 9.344 -6.523 1.00 0.00 C ATOM 756 CZ TYR A 49 -0.021 10.662 -6.653 1.00 0.00 C ATOM 757 OH TYR A 49 0.851 11.471 -7.312 1.00 0.00 O ATOM 0 H TYR A 49 -4.466 6.773 -3.556 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.655 8.891 -5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.953 8.502 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.334 7.117 -4.442 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.999 10.762 -5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.418 7.437 -5.708 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.370 12.262 -6.277 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.203 8.948 -6.934 1.00 0.00 H new ATOM 0 HH TYR A 49 1.621 10.945 -7.613 1.00 0.00 H new ATOM 767 N LEU A 50 -3.265 6.180 -6.662 1.00 0.00 N ATOM 768 CA LEU A 50 -2.979 5.492 -7.909 1.00 0.00 C ATOM 769 C LEU A 50 -4.287 5.254 -8.667 1.00 0.00 C ATOM 770 O LEU A 50 -4.274 4.996 -9.869 1.00 0.00 O ATOM 771 CB LEU A 50 -2.180 4.214 -7.645 1.00 0.00 C ATOM 772 CG LEU A 50 -0.657 4.364 -7.645 1.00 0.00 C ATOM 773 CD1 LEU A 50 -0.176 5.072 -6.377 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.027 3.010 -7.841 1.00 0.00 C ATOM 0 H LEU A 50 -2.933 5.701 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.347 6.109 -8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.486 3.811 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.453 3.476 -8.399 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.375 4.992 -8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.910 5.166 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.625 6.064 -6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.470 4.492 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.109 3.145 -7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.258 2.338 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.282 2.581 -8.794 1.00 0.00 H new ATOM 786 N HIS A 51 -5.385 5.348 -7.931 1.00 0.00 N ATOM 787 CA HIS A 51 -6.699 5.146 -8.519 1.00 0.00 C ATOM 788 C HIS A 51 -6.725 3.814 -9.272 1.00 0.00 C ATOM 789 O HIS A 51 -7.078 3.769 -10.449 1.00 0.00 O ATOM 790 CB HIS A 51 -7.088 6.334 -9.401 1.00 0.00 C ATOM 791 CG HIS A 51 -6.259 6.464 -10.657 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.557 5.787 -11.826 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.139 7.200 -10.913 1.00 0.00 C ATOM 794 CE1 HIS A 51 -5.651 6.108 -12.738 1.00 0.00 C ATOM 795 NE2 HIS A 51 -4.773 6.983 -12.170 1.00 0.00 N ATOM 0 H HIS A 51 -5.392 5.561 -6.934 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.450 5.092 -7.731 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.138 6.239 -9.679 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.994 7.251 -8.820 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -7.341 5.149 -11.963 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.636 7.849 -10.212 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.614 5.741 -13.753 1.00 0.00 H new ATOM 803 N CYS A 52 -6.346 2.762 -8.561 1.00 0.00 N ATOM 804 CA CYS A 52 -6.322 1.433 -9.148 1.00 0.00 C ATOM 805 C CYS A 52 -7.001 0.466 -8.175 1.00 0.00 C ATOM 806 O CYS A 52 -7.503 0.881 -7.131 1.00 0.00 O ATOM 807 CB CYS A 52 -4.897 0.991 -9.489 1.00 0.00 C ATOM 808 SG CYS A 52 -4.605 1.158 -11.288 1.00 0.00 S ATOM 0 H CYS A 52 -6.053 2.803 -7.585 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.866 1.440 -10.092 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.178 1.596 -8.938 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.745 -0.044 -9.182 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.510 1.828 -11.489 1.00 0.00 H new ATOM 814 N ASN A 53 -6.994 -0.804 -8.552 1.00 0.00 N ATOM 815 CA ASN A 53 -7.603 -1.833 -7.726 1.00 0.00 C ATOM 816 C ASN A 53 -6.557 -2.391 -6.760 1.00 0.00 C ATOM 817 O ASN A 53 -5.444 -2.721 -7.167 1.00 0.00 O ATOM 818 CB ASN A 53 -8.122 -2.991 -8.582 1.00 0.00 C ATOM 819 CG ASN A 53 -9.647 -2.946 -8.699 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.373 -3.508 -7.896 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.089 -2.249 -9.741 1.00 0.00 N ATOM 0 H ASN A 53 -6.576 -1.144 -9.418 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.436 -1.383 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.676 -2.942 -9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.815 -3.940 -8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.091 -2.160 -9.907 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.426 -1.803 -10.375 1.00 0.00 H new ATOM 828 N ALA A 54 -6.951 -2.479 -5.498 1.00 0.00 N ATOM 829 CA ALA A 54 -6.061 -2.991 -4.470 1.00 0.00 C ATOM 830 C ALA A 54 -5.793 -4.475 -4.726 1.00 0.00 C ATOM 831 O ALA A 54 -4.816 -5.029 -4.225 1.00 0.00 O ATOM 832 CB ALA A 54 -6.674 -2.739 -3.091 1.00 0.00 C ATOM 0 H ALA A 54 -7.875 -2.204 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.103 -2.473 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.006 -3.123 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.817 -1.668 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.637 -3.246 -3.023 1.00 0.00 H new ATOM 838 N ASP A 55 -6.679 -5.077 -5.506 1.00 0.00 N ATOM 839 CA ASP A 55 -6.551 -6.487 -5.835 1.00 0.00 C ATOM 840 C ASP A 55 -5.415 -6.670 -6.843 1.00 0.00 C ATOM 841 O ASP A 55 -4.891 -7.771 -7.000 1.00 0.00 O ATOM 842 CB ASP A 55 -7.836 -7.023 -6.469 1.00 0.00 C ATOM 843 CG ASP A 55 -8.142 -8.491 -6.167 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.909 -8.892 -5.006 1.00 0.00 O ATOM 845 OD2 ASP A 55 -8.603 -9.180 -7.103 1.00 0.00 O ATOM 0 H ASP A 55 -7.488 -4.614 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.349 -7.032 -4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.673 -6.415 -6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.771 -6.896 -7.550 1.00 0.00 H new ATOM 850 N ARG A 56 -5.067 -5.573 -7.500 1.00 0.00 N ATOM 851 CA ARG A 56 -4.002 -5.598 -8.489 1.00 0.00 C ATOM 852 C ARG A 56 -2.767 -4.869 -7.957 1.00 0.00 C ATOM 853 O ARG A 56 -1.888 -4.487 -8.727 1.00 0.00 O ATOM 854 CB ARG A 56 -4.449 -4.942 -9.797 1.00 0.00 C ATOM 855 CG ARG A 56 -5.774 -5.535 -10.283 1.00 0.00 C ATOM 856 CD ARG A 56 -5.546 -6.861 -11.012 1.00 0.00 C ATOM 857 NE ARG A 56 -6.574 -7.045 -12.060 1.00 0.00 N ATOM 858 CZ ARG A 56 -7.801 -7.533 -11.832 1.00 0.00 C ATOM 859 NH1 ARG A 56 -8.160 -7.890 -10.591 1.00 0.00 N ATOM 860 NH2 ARG A 56 -8.669 -7.665 -12.844 1.00 0.00 N ATOM 0 H ARG A 56 -5.504 -4.661 -7.367 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.756 -6.642 -8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.559 -3.868 -9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.682 -5.082 -10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.439 -5.692 -9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.269 -4.830 -10.950 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.552 -6.873 -11.460 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.586 -7.687 -10.302 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.334 -6.784 -13.016 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.499 -7.790 -9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.094 -8.261 -10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.396 -7.394 -13.789 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.603 -8.037 -12.670 1.00 0.00 H new ATOM 874 N LEU A 57 -2.740 -4.699 -6.643 1.00 0.00 N ATOM 875 CA LEU A 57 -1.626 -4.023 -5.999 1.00 0.00 C ATOM 876 C LEU A 57 -0.836 -5.032 -5.165 1.00 0.00 C ATOM 877 O LEU A 57 -1.420 -5.879 -4.491 1.00 0.00 O ATOM 878 CB LEU A 57 -2.123 -2.817 -5.198 1.00 0.00 C ATOM 879 CG LEU A 57 -2.576 -1.608 -6.018 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.077 -0.485 -5.107 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.463 -1.132 -6.955 1.00 0.00 C ATOM 0 H LEU A 57 -3.471 -5.017 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.941 -3.621 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.956 -3.139 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.325 -2.498 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.414 -1.914 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.393 0.363 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.921 -0.844 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.274 -0.173 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.811 -0.272 -7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.590 -0.848 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.194 -1.937 -7.639 1.00 0.00 H new ATOM 893 N VAL A 58 0.482 -4.909 -5.237 1.00 0.00 N ATOM 894 CA VAL A 58 1.358 -5.800 -4.497 1.00 0.00 C ATOM 895 C VAL A 58 2.339 -4.970 -3.666 1.00 0.00 C ATOM 896 O VAL A 58 2.881 -3.976 -4.148 1.00 0.00 O ATOM 897 CB VAL A 58 2.057 -6.764 -5.458 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.730 -7.907 -4.695 1.00 0.00 C ATOM 899 CG2 VAL A 58 1.077 -7.304 -6.501 1.00 0.00 C ATOM 0 H VAL A 58 0.964 -4.205 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 58 0.782 -6.413 -3.804 1.00 0.00 H new ATOM 0 HB VAL A 58 2.834 -6.209 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.219 -8.578 -5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.472 -7.499 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.979 -8.460 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.599 -7.987 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.268 -7.836 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.664 -6.475 -7.076 1.00 0.00 H new ATOM 909 N LEU A 59 2.537 -5.408 -2.431 1.00 0.00 N ATOM 910 CA LEU A 59 3.442 -4.717 -1.529 1.00 0.00 C ATOM 911 C LEU A 59 4.801 -5.421 -1.540 1.00 0.00 C ATOM 912 O LEU A 59 4.879 -6.632 -1.341 1.00 0.00 O ATOM 913 CB LEU A 59 2.823 -4.599 -0.135 1.00 0.00 C ATOM 914 CG LEU A 59 2.772 -3.190 0.459 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.181 -2.643 0.695 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.934 -2.256 -0.416 1.00 0.00 C ATOM 0 H LEU A 59 2.086 -6.233 -2.034 1.00 0.00 H new ATOM 0 HA LEU A 59 3.609 -3.694 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.807 -4.992 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.385 -5.239 0.546 1.00 0.00 H new ATOM 0 HG LEU A 59 2.282 -3.247 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.116 -1.640 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.713 -3.295 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.719 -2.603 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.914 -1.261 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.373 -2.199 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.917 -2.641 -0.489 1.00 0.00 H new ATOM 928 N ILE A 60 5.839 -4.631 -1.775 1.00 0.00 N ATOM 929 CA ILE A 60 7.190 -5.162 -1.814 1.00 0.00 C ATOM 930 C ILE A 60 8.135 -4.196 -1.098 1.00 0.00 C ATOM 931 O ILE A 60 8.440 -3.122 -1.615 1.00 0.00 O ATOM 932 CB ILE A 60 7.602 -5.471 -3.255 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.698 -6.543 -3.867 1.00 0.00 C ATOM 934 CG2 ILE A 60 9.081 -5.857 -3.332 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.710 -5.926 -4.859 1.00 0.00 C ATOM 0 H ILE A 60 5.771 -3.627 -1.940 1.00 0.00 H new ATOM 0 HA ILE A 60 7.242 -6.111 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 60 7.474 -4.565 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.307 -7.292 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.152 -7.058 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.348 -6.072 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.692 -5.033 -2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.258 -6.742 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.079 -6.709 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.086 -5.195 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.260 -5.433 -5.661 1.00 0.00 H new ATOM 947 N PHE A 61 8.573 -4.612 0.081 1.00 0.00 N ATOM 948 CA PHE A 61 9.477 -3.796 0.874 1.00 0.00 C ATOM 949 C PHE A 61 10.894 -4.374 0.859 1.00 0.00 C ATOM 950 O PHE A 61 11.084 -5.566 1.096 1.00 0.00 O ATOM 951 CB PHE A 61 8.949 -3.809 2.310 1.00 0.00 C ATOM 952 CG PHE A 61 9.985 -3.396 3.358 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.325 -2.087 3.499 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.566 -4.338 4.148 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.286 -1.704 4.471 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.527 -3.955 5.120 1.00 0.00 C ATOM 957 CZ PHE A 61 11.867 -2.646 5.261 1.00 0.00 C ATOM 0 H PHE A 61 8.319 -5.503 0.506 1.00 0.00 H new ATOM 0 HA PHE A 61 9.521 -2.786 0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.092 -3.139 2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.589 -4.811 2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.864 -1.339 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.296 -5.378 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.556 -0.664 4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.988 -4.703 5.748 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.598 -2.355 6.000 1.00 0.00 H new ATOM 967 N THR A 62 11.851 -3.503 0.577 1.00 0.00 N ATOM 968 CA THR A 62 13.244 -3.912 0.527 1.00 0.00 C ATOM 969 C THR A 62 13.414 -5.114 -0.404 1.00 0.00 C ATOM 970 O THR A 62 14.409 -5.833 -0.320 1.00 0.00 O ATOM 971 CB THR A 62 13.709 -4.182 1.960 1.00 0.00 C ATOM 972 OG1 THR A 62 15.123 -4.321 1.846 1.00 0.00 O ATOM 973 CG2 THR A 62 13.242 -5.543 2.480 1.00 0.00 C ATOM 0 H THR A 62 11.689 -2.515 0.381 1.00 0.00 H new ATOM 0 HA THR A 62 13.872 -3.126 0.109 1.00 0.00 H new ATOM 0 HB THR A 62 13.337 -3.395 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.336 -4.856 1.053 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.599 -5.685 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.153 -5.583 2.467 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.641 -6.332 1.843 1.00 0.00 H new ATOM 981 N GLY A 63 12.428 -5.296 -1.269 1.00 0.00 N ATOM 982 CA GLY A 63 12.456 -6.399 -2.215 1.00 0.00 C ATOM 983 C GLY A 63 11.576 -7.555 -1.735 1.00 0.00 C ATOM 984 O GLY A 63 11.102 -8.355 -2.541 1.00 0.00 O ATOM 0 H GLY A 63 11.604 -4.698 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.111 -6.055 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.481 -6.747 -2.344 1.00 0.00 H new ATOM 988 N LYS A 64 11.383 -7.605 -0.425 1.00 0.00 N ATOM 989 CA LYS A 64 10.568 -8.650 0.171 1.00 0.00 C ATOM 990 C LYS A 64 9.089 -8.307 -0.018 1.00 0.00 C ATOM 991 O LYS A 64 8.646 -7.223 0.360 1.00 0.00 O ATOM 992 CB LYS A 64 10.966 -8.872 1.632 1.00 0.00 C ATOM 993 CG LYS A 64 12.300 -9.616 1.729 1.00 0.00 C ATOM 994 CD LYS A 64 13.478 -8.649 1.594 1.00 0.00 C ATOM 995 CE LYS A 64 14.796 -9.410 1.440 1.00 0.00 C ATOM 996 NZ LYS A 64 15.684 -9.149 2.595 1.00 0.00 N ATOM 0 H LYS A 64 11.777 -6.939 0.240 1.00 0.00 H new ATOM 0 HA LYS A 64 10.742 -9.602 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.043 -7.912 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.189 -9.442 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.361 -10.138 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.356 -10.374 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.325 -8.001 0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.526 -8.004 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.598 -10.479 1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.291 -9.108 0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.574 -9.673 2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.887 -8.131 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.216 -9.459 3.470 1.00 0.00 H new ATOM 1010 N ILE A 65 8.365 -9.251 -0.602 1.00 0.00 N ATOM 1011 CA ILE A 65 6.945 -9.063 -0.845 1.00 0.00 C ATOM 1012 C ILE A 65 6.179 -9.240 0.468 1.00 0.00 C ATOM 1013 O ILE A 65 6.605 -9.994 1.342 1.00 0.00 O ATOM 1014 CB ILE A 65 6.467 -9.987 -1.966 1.00 0.00 C ATOM 1015 CG1 ILE A 65 7.218 -9.704 -3.269 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.950 -9.890 -2.147 1.00 0.00 C ATOM 1017 CD1 ILE A 65 8.127 -10.876 -3.643 1.00 0.00 C ATOM 0 H ILE A 65 8.736 -10.149 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 65 6.749 -8.049 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 65 6.693 -11.014 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.504 -9.522 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.813 -8.797 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.636 -10.557 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.454 -10.179 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.679 -8.865 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.649 -10.649 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.855 -11.040 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.525 -11.775 -3.775 1.00 0.00 H new ATOM 1029 N LEU A 66 5.063 -8.533 0.564 1.00 0.00 N ATOM 1030 CA LEU A 66 4.234 -8.604 1.755 1.00 0.00 C ATOM 1031 C LEU A 66 2.848 -9.129 1.377 1.00 0.00 C ATOM 1032 O LEU A 66 2.596 -9.444 0.215 1.00 0.00 O ATOM 1033 CB LEU A 66 4.204 -7.250 2.468 1.00 0.00 C ATOM 1034 CG LEU A 66 5.506 -6.446 2.435 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.282 -5.020 2.941 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.613 -7.163 3.211 1.00 0.00 C ATOM 0 H LEU A 66 4.714 -7.909 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 66 4.657 -9.308 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.415 -6.644 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.929 -7.416 3.510 1.00 0.00 H new ATOM 0 HG LEU A 66 5.836 -6.372 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.222 -4.470 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.547 -4.521 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.917 -5.051 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.527 -6.571 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.306 -7.289 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.795 -8.141 2.765 1.00 0.00 H new ATOM 1048 N ARG A 67 1.985 -9.208 2.379 1.00 0.00 N ATOM 1049 CA ARG A 67 0.631 -9.690 2.166 1.00 0.00 C ATOM 1050 C ARG A 67 -0.359 -8.879 3.004 1.00 0.00 C ATOM 1051 O ARG A 67 -0.020 -8.407 4.088 1.00 0.00 O ATOM 1052 CB ARG A 67 0.509 -11.170 2.535 1.00 0.00 C ATOM 1053 CG ARG A 67 0.934 -12.062 1.367 1.00 0.00 C ATOM 1054 CD ARG A 67 1.497 -13.393 1.871 1.00 0.00 C ATOM 1055 NE ARG A 67 0.518 -14.478 1.636 1.00 0.00 N ATOM 1056 CZ ARG A 67 0.774 -15.778 1.836 1.00 0.00 C ATOM 1057 NH1 ARG A 67 1.980 -16.163 2.275 1.00 0.00 N ATOM 1058 NH2 ARG A 67 -0.175 -16.693 1.596 1.00 0.00 N ATOM 0 H ARG A 67 2.197 -8.946 3.342 1.00 0.00 H new ATOM 0 HA ARG A 67 0.399 -9.571 1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.129 -11.384 3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.520 -11.395 2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.079 -12.247 0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.686 -11.549 0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.432 -13.619 1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.725 -13.322 2.935 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.410 -14.220 1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.703 -15.467 2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.175 -17.152 2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.093 -16.400 1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.020 -17.682 1.748 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.564 -8.741 2.469 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.606 -7.995 3.154 1.00 0.00 C ATOM 1074 C ASP A 68 -2.619 -8.388 4.633 1.00 0.00 C ATOM 1075 O ASP A 68 -2.888 -7.555 5.497 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.984 -8.310 2.569 1.00 0.00 C ATOM 1077 CG ASP A 68 -4.088 -9.654 1.845 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -3.485 -9.759 0.755 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.767 -10.545 2.399 1.00 0.00 O ATOM 0 H ASP A 68 -1.842 -9.133 1.569 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.397 -6.932 3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.717 -8.291 3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.256 -7.517 1.872 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.327 -9.656 4.878 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.302 -10.169 6.238 1.00 0.00 C ATOM 1086 C GLN A 69 -0.905 -10.009 6.840 1.00 0.00 C ATOM 1087 O GLN A 69 -0.436 -10.881 7.570 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.754 -11.630 6.281 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.687 -12.552 5.686 1.00 0.00 C ATOM 1090 CD GLN A 69 -2.287 -13.903 5.293 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -3.391 -14.256 5.674 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -1.500 -14.638 4.512 1.00 0.00 N ATOM 0 H GLN A 69 -2.106 -10.344 4.158 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.003 -9.588 6.838 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.958 -11.921 7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.686 -11.742 5.728 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.241 -12.080 4.811 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.886 -12.702 6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.587 -14.283 4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.810 -15.557 4.196 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.278 -8.889 6.512 1.00 0.00 N ATOM 1102 CA ASP A 70 1.056 -8.603 7.012 1.00 0.00 C ATOM 1103 C ASP A 70 1.131 -7.137 7.444 1.00 0.00 C ATOM 1104 O ASP A 70 0.617 -6.257 6.756 1.00 0.00 O ATOM 1105 CB ASP A 70 2.111 -8.832 5.927 1.00 0.00 C ATOM 1106 CG ASP A 70 2.089 -10.221 5.287 1.00 0.00 C ATOM 1107 OD1 ASP A 70 1.167 -10.991 5.633 1.00 0.00 O ATOM 1108 OD2 ASP A 70 2.995 -10.481 4.466 1.00 0.00 O ATOM 0 H ASP A 70 -0.669 -8.168 5.906 1.00 0.00 H new ATOM 0 HA ASP A 70 1.252 -9.270 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.974 -8.086 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.097 -8.663 6.359 1.00 0.00 H new ATOM 1113 N ILE A 71 1.776 -6.921 8.580 1.00 0.00 N ATOM 1114 CA ILE A 71 1.926 -5.577 9.112 1.00 0.00 C ATOM 1115 C ILE A 71 3.272 -5.003 8.664 1.00 0.00 C ATOM 1116 O ILE A 71 4.279 -5.709 8.653 1.00 0.00 O ATOM 1117 CB ILE A 71 1.731 -5.576 10.629 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.278 -5.884 10.996 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.210 -4.259 11.243 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.168 -7.218 10.394 1.00 0.00 C ATOM 0 H ILE A 71 2.201 -7.654 9.148 1.00 0.00 H new ATOM 0 HA ILE A 71 1.151 -4.921 8.714 1.00 0.00 H new ATOM 0 HB ILE A 71 2.345 -6.371 11.052 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.172 -5.917 12.080 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.369 -5.084 10.636 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.060 -4.285 12.322 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.269 -4.121 11.027 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.642 -3.431 10.818 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.204 -7.413 10.670 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.084 -7.173 9.308 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.466 -8.019 10.775 1.00 0.00 H new ATOM 1132 N LEU A 72 3.245 -3.728 8.306 1.00 0.00 N ATOM 1133 CA LEU A 72 4.450 -3.051 7.859 1.00 0.00 C ATOM 1134 C LEU A 72 5.555 -3.245 8.899 1.00 0.00 C ATOM 1135 O LEU A 72 6.516 -3.975 8.660 1.00 0.00 O ATOM 1136 CB LEU A 72 4.155 -1.583 7.543 1.00 0.00 C ATOM 1137 CG LEU A 72 2.755 -1.282 7.003 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.645 0.175 6.548 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.375 -2.260 5.890 1.00 0.00 C ATOM 0 H LEU A 72 2.408 -3.146 8.316 1.00 0.00 H new ATOM 0 HA LEU A 72 4.808 -3.488 6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.306 -0.999 8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.887 -1.235 6.814 1.00 0.00 H new ATOM 0 HG LEU A 72 2.039 -1.422 7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.641 0.363 6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.844 0.836 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.372 0.366 5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.376 -2.024 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.090 -2.176 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.388 -3.278 6.280 1.00 0.00 H new ATOM 1151 N SER A 73 5.382 -2.579 10.031 1.00 0.00 N ATOM 1152 CA SER A 73 6.353 -2.670 11.108 1.00 0.00 C ATOM 1153 C SER A 73 6.815 -4.119 11.276 1.00 0.00 C ATOM 1154 O SER A 73 8.011 -4.400 11.240 1.00 0.00 O ATOM 1155 CB SER A 73 5.769 -2.143 12.421 1.00 0.00 C ATOM 1156 OG SER A 73 6.676 -1.277 13.099 1.00 0.00 O ATOM 0 H SER A 73 4.584 -1.974 10.226 1.00 0.00 H new ATOM 0 HA SER A 73 7.211 -2.050 10.848 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.841 -1.608 12.217 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.517 -2.983 13.069 1.00 0.00 H new ATOM 0 HG SER A 73 6.266 -0.960 13.931 1.00 0.00 H new ATOM 1162 N GLN A 74 5.841 -4.999 11.457 1.00 0.00 N ATOM 1163 CA GLN A 74 6.133 -6.412 11.630 1.00 0.00 C ATOM 1164 C GLN A 74 7.190 -6.864 10.620 1.00 0.00 C ATOM 1165 O GLN A 74 8.186 -7.482 10.992 1.00 0.00 O ATOM 1166 CB GLN A 74 4.861 -7.254 11.507 1.00 0.00 C ATOM 1167 CG GLN A 74 4.071 -7.247 12.817 1.00 0.00 C ATOM 1168 CD GLN A 74 2.785 -8.067 12.686 1.00 0.00 C ATOM 1169 OE1 GLN A 74 2.550 -8.747 11.701 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.969 -7.964 13.731 1.00 0.00 N ATOM 0 H GLN A 74 4.850 -4.761 11.488 1.00 0.00 H new ATOM 0 HA GLN A 74 6.532 -6.560 12.634 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.239 -6.865 10.701 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.123 -8.278 11.241 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.686 -7.654 13.619 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.826 -6.221 13.093 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.227 -7.377 14.524 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.085 -8.472 13.740 1.00 0.00 H new ATOM 1179 N ARG A 75 6.936 -6.538 9.361 1.00 0.00 N ATOM 1180 CA ARG A 75 7.853 -6.902 8.294 1.00 0.00 C ATOM 1181 C ARG A 75 9.182 -6.163 8.461 1.00 0.00 C ATOM 1182 O ARG A 75 10.245 -6.724 8.201 1.00 0.00 O ATOM 1183 CB ARG A 75 7.261 -6.572 6.923 1.00 0.00 C ATOM 1184 CG ARG A 75 5.993 -7.387 6.661 1.00 0.00 C ATOM 1185 CD ARG A 75 6.326 -8.866 6.452 1.00 0.00 C ATOM 1186 NE ARG A 75 5.123 -9.694 6.689 1.00 0.00 N ATOM 1187 CZ ARG A 75 4.736 -10.129 7.896 1.00 0.00 C ATOM 1188 NH1 ARG A 75 5.456 -9.818 8.982 1.00 0.00 N ATOM 1189 NH2 ARG A 75 3.630 -10.876 8.016 1.00 0.00 N ATOM 0 H ARG A 75 6.108 -6.026 9.056 1.00 0.00 H new ATOM 0 HA ARG A 75 8.022 -7.977 8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.031 -5.508 6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.997 -6.779 6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.307 -7.280 7.502 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.481 -6.998 5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.693 -9.025 5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.124 -9.167 7.131 1.00 0.00 H new ATOM 0 HE ARG A 75 4.552 -9.950 5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.298 -9.250 8.890 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.162 -10.149 9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.083 -11.114 7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.335 -11.207 8.935 1.00 0.00 H new ATOM 1203 N GLY A 76 9.078 -4.914 8.892 1.00 0.00 N ATOM 1204 CA GLY A 76 10.258 -4.092 9.096 1.00 0.00 C ATOM 1205 C GLY A 76 9.996 -2.643 8.681 1.00 0.00 C ATOM 1206 O GLY A 76 10.606 -1.719 9.217 1.00 0.00 O ATOM 0 H GLY A 76 8.194 -4.452 9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.552 -4.126 10.145 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.090 -4.495 8.518 1.00 0.00 H new ATOM 1210 N ILE A 77 9.087 -2.489 7.729 1.00 0.00 N ATOM 1211 CA ILE A 77 8.736 -1.168 7.235 1.00 0.00 C ATOM 1212 C ILE A 77 8.681 -0.188 8.409 1.00 0.00 C ATOM 1213 O ILE A 77 7.765 -0.246 9.228 1.00 0.00 O ATOM 1214 CB ILE A 77 7.442 -1.227 6.422 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.691 -1.831 5.038 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.785 0.153 6.335 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.384 -2.319 4.409 1.00 0.00 C ATOM 0 H ILE A 77 8.583 -3.257 7.287 1.00 0.00 H new ATOM 0 HA ILE A 77 9.500 -0.802 6.549 1.00 0.00 H new ATOM 0 HB ILE A 77 6.743 -1.884 6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.155 -1.087 4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.391 -2.662 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.867 0.083 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.551 0.508 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.469 0.852 5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.589 -2.744 3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.935 -3.081 5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.695 -1.481 4.305 1.00 0.00 H new ATOM 1229 N LEU A 78 9.673 0.689 8.453 1.00 0.00 N ATOM 1230 CA LEU A 78 9.749 1.680 9.513 1.00 0.00 C ATOM 1231 C LEU A 78 9.514 3.072 8.921 1.00 0.00 C ATOM 1232 O LEU A 78 8.948 3.202 7.837 1.00 0.00 O ATOM 1233 CB LEU A 78 11.069 1.551 10.274 1.00 0.00 C ATOM 1234 CG LEU A 78 10.958 1.430 11.795 1.00 0.00 C ATOM 1235 CD1 LEU A 78 10.147 0.194 12.189 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.341 1.440 12.449 1.00 0.00 C ATOM 0 H LEU A 78 10.431 0.734 7.772 1.00 0.00 H new ATOM 0 HA LEU A 78 8.965 1.509 10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.598 0.676 9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.685 2.420 10.043 1.00 0.00 H new ATOM 0 HG LEU A 78 10.419 2.301 12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.083 0.132 13.275 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.143 0.269 11.770 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.636 -0.700 11.802 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.233 1.353 13.530 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.927 0.601 12.074 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.850 2.374 12.209 1.00 0.00 H new ATOM 1248 N ASP A 79 9.960 4.077 9.660 1.00 0.00 N ATOM 1249 CA ASP A 79 9.805 5.454 9.222 1.00 0.00 C ATOM 1250 C ASP A 79 10.933 5.805 8.250 1.00 0.00 C ATOM 1251 O ASP A 79 12.105 5.566 8.541 1.00 0.00 O ATOM 1252 CB ASP A 79 9.883 6.420 10.406 1.00 0.00 C ATOM 1253 CG ASP A 79 10.948 6.078 11.451 1.00 0.00 C ATOM 1254 OD1 ASP A 79 11.961 5.466 11.049 1.00 0.00 O ATOM 1255 OD2 ASP A 79 10.724 6.437 12.627 1.00 0.00 O ATOM 0 H ASP A 79 10.429 3.965 10.559 1.00 0.00 H new ATOM 0 HA ASP A 79 8.830 5.548 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.078 7.423 10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.910 6.449 10.897 1.00 0.00 H new ATOM 1260 N GLY A 80 10.541 6.366 7.116 1.00 0.00 N ATOM 1261 CA GLY A 80 11.504 6.752 6.099 1.00 0.00 C ATOM 1262 C GLY A 80 12.007 5.531 5.328 1.00 0.00 C ATOM 1263 O GLY A 80 13.198 5.419 5.042 1.00 0.00 O ATOM 0 H GLY A 80 9.569 6.563 6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.045 7.459 5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.346 7.264 6.566 1.00 0.00 H new ATOM 1267 N SER A 81 11.074 4.645 5.012 1.00 0.00 N ATOM 1268 CA SER A 81 11.407 3.435 4.279 1.00 0.00 C ATOM 1269 C SER A 81 10.952 3.563 2.824 1.00 0.00 C ATOM 1270 O SER A 81 10.173 4.454 2.490 1.00 0.00 O ATOM 1271 CB SER A 81 10.771 2.205 4.929 1.00 0.00 C ATOM 1272 OG SER A 81 10.616 2.364 6.336 1.00 0.00 O ATOM 0 H SER A 81 10.087 4.741 5.250 1.00 0.00 H new ATOM 0 HA SER A 81 12.489 3.306 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.797 2.018 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.389 1.329 4.729 1.00 0.00 H new ATOM 0 HG SER A 81 9.677 2.552 6.542 1.00 0.00 H new ATOM 1278 N THR A 82 11.457 2.659 1.998 1.00 0.00 N ATOM 1279 CA THR A 82 11.112 2.659 0.587 1.00 0.00 C ATOM 1280 C THR A 82 10.403 1.356 0.211 1.00 0.00 C ATOM 1281 O THR A 82 10.972 0.274 0.348 1.00 0.00 O ATOM 1282 CB THR A 82 12.392 2.907 -0.213 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.774 4.233 0.145 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.135 2.988 -1.720 1.00 0.00 C ATOM 0 H THR A 82 12.103 1.921 2.279 1.00 0.00 H new ATOM 0 HA THR A 82 10.406 3.456 0.353 1.00 0.00 H new ATOM 0 HB THR A 82 13.107 2.110 -0.009 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.597 4.475 -0.328 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.076 3.165 -2.241 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.700 2.050 -2.066 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.446 3.806 -1.928 1.00 0.00 H new ATOM 1292 N VAL A 83 9.172 1.503 -0.257 1.00 0.00 N ATOM 1293 CA VAL A 83 8.380 0.351 -0.654 1.00 0.00 C ATOM 1294 C VAL A 83 8.012 0.476 -2.134 1.00 0.00 C ATOM 1295 O VAL A 83 7.523 1.517 -2.570 1.00 0.00 O ATOM 1296 CB VAL A 83 7.158 0.217 0.257 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.454 -1.123 0.037 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.547 0.398 1.726 1.00 0.00 C ATOM 0 H VAL A 83 8.704 2.402 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 83 8.956 -0.567 -0.539 1.00 0.00 H new ATOM 0 HB VAL A 83 6.457 1.010 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.589 -1.192 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.126 -1.196 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.144 -1.937 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.660 0.298 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.276 -0.362 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.982 1.387 1.868 1.00 0.00 H new ATOM 1308 N HIS A 84 8.262 -0.600 -2.865 1.00 0.00 N ATOM 1309 CA HIS A 84 7.963 -0.624 -4.287 1.00 0.00 C ATOM 1310 C HIS A 84 6.483 -0.950 -4.495 1.00 0.00 C ATOM 1311 O HIS A 84 5.967 -1.905 -3.916 1.00 0.00 O ATOM 1312 CB HIS A 84 8.893 -1.593 -5.021 1.00 0.00 C ATOM 1313 CG HIS A 84 10.312 -1.097 -5.158 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.716 -0.248 -6.173 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.418 -1.339 -4.396 1.00 0.00 C ATOM 1316 CE1 HIS A 84 12.008 0.003 -6.020 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.441 -0.675 -4.919 1.00 0.00 N ATOM 0 H HIS A 84 8.668 -1.461 -2.500 1.00 0.00 H new ATOM 0 HA HIS A 84 8.146 0.360 -4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.901 -2.545 -4.490 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.489 -1.786 -6.015 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.454 -1.965 -3.517 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.612 0.634 -6.656 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.395 -0.672 -4.557 1.00 0.00 H new ATOM 1325 N VAL A 85 5.842 -0.139 -5.323 1.00 0.00 N ATOM 1326 CA VAL A 85 4.431 -0.329 -5.614 1.00 0.00 C ATOM 1327 C VAL A 85 4.284 -1.029 -6.967 1.00 0.00 C ATOM 1328 O VAL A 85 5.092 -0.817 -7.871 1.00 0.00 O ATOM 1329 CB VAL A 85 3.698 1.012 -5.553 1.00 0.00 C ATOM 1330 CG1 VAL A 85 4.037 1.878 -6.768 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.187 0.806 -5.430 1.00 0.00 C ATOM 0 H VAL A 85 6.274 0.651 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 85 3.970 -0.970 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 85 4.037 1.539 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.503 2.826 -6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.110 2.067 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.740 1.359 -7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.690 1.775 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.824 0.249 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.969 0.247 -4.520 1.00 0.00 H new ATOM 1341 N VAL A 86 3.247 -1.849 -7.064 1.00 0.00 N ATOM 1342 CA VAL A 86 2.984 -2.581 -8.291 1.00 0.00 C ATOM 1343 C VAL A 86 1.486 -2.532 -8.598 1.00 0.00 C ATOM 1344 O VAL A 86 0.663 -2.509 -7.684 1.00 0.00 O ATOM 1345 CB VAL A 86 3.525 -4.007 -8.176 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.859 -4.931 -9.198 1.00 0.00 C ATOM 1347 CG2 VAL A 86 5.047 -4.030 -8.326 1.00 0.00 C ATOM 0 H VAL A 86 2.579 -2.022 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 86 3.503 -2.118 -9.131 1.00 0.00 H new ATOM 0 HB VAL A 86 3.281 -4.378 -7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.262 -5.938 -9.094 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.783 -4.951 -9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.057 -4.563 -10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.406 -5.056 -8.240 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.323 -3.630 -9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.499 -3.421 -7.543 1.00 0.00 H new ATOM 1357 N VAL A 87 1.178 -2.518 -9.886 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.206 -2.473 -10.324 1.00 0.00 C ATOM 1359 C VAL A 87 -0.419 -3.503 -11.436 1.00 0.00 C ATOM 1360 O VAL A 87 -0.802 -3.149 -12.550 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.574 -1.050 -10.750 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.092 -0.858 -10.764 1.00 0.00 C ATOM 1363 CG2 VAL A 87 0.101 -0.016 -9.846 1.00 0.00 C ATOM 0 H VAL A 87 1.864 -2.537 -10.641 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.874 -2.736 -9.504 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.207 -0.898 -11.765 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.327 0.161 -11.070 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.541 -1.560 -11.466 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.491 -1.038 -9.766 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.177 0.987 -10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.222 -0.167 -8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.183 -0.130 -9.907 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.161 -4.757 -11.094 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.319 -5.840 -12.049 1.00 0.00 C ATOM 1375 C ARG A 88 -1.667 -5.724 -12.765 1.00 0.00 C ATOM 1376 O ARG A 88 -2.499 -4.896 -12.399 1.00 0.00 O ATOM 1377 CB ARG A 88 -0.233 -7.202 -11.357 1.00 0.00 C ATOM 1378 CG ARG A 88 -1.196 -7.276 -10.170 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.846 -8.449 -9.253 1.00 0.00 C ATOM 1380 NE ARG A 88 -1.656 -9.634 -9.615 1.00 0.00 N ATOM 1381 CZ ARG A 88 -1.885 -10.667 -8.794 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -1.367 -10.669 -7.558 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -2.632 -11.700 -9.208 1.00 0.00 N ATOM 0 H ARG A 88 0.156 -5.047 -10.169 1.00 0.00 H new ATOM 0 HA ARG A 88 0.490 -5.762 -12.775 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.468 -7.992 -12.070 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.787 -7.376 -11.014 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.156 -6.344 -9.606 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.218 -7.385 -10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.215 -8.684 -9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.030 -8.176 -8.214 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.066 -9.666 -10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.798 -9.884 -7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.542 -11.456 -6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.026 -11.700 -10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.806 -12.487 -8.582 1.00 0.00 H new ATOM 1397 N SER A 89 -1.840 -6.568 -13.772 1.00 0.00 N ATOM 1398 CA SER A 89 -3.072 -6.570 -14.542 1.00 0.00 C ATOM 1399 C SER A 89 -3.121 -7.803 -15.447 1.00 0.00 C ATOM 1400 O SER A 89 -4.047 -8.607 -15.357 1.00 0.00 O ATOM 1401 CB SER A 89 -3.203 -5.294 -15.376 1.00 0.00 C ATOM 1402 OG SER A 89 -2.048 -5.057 -16.175 1.00 0.00 O ATOM 0 H SER A 89 -1.148 -7.255 -14.072 1.00 0.00 H new ATOM 0 HA SER A 89 -3.910 -6.604 -13.846 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.079 -5.370 -16.020 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.366 -4.444 -14.714 1.00 0.00 H new ATOM 0 HG SER A 89 -2.172 -4.235 -16.693 1.00 0.00 H new ATOM 1408 N HIS A 90 -2.112 -7.913 -16.298 1.00 0.00 N ATOM 1409 CA HIS A 90 -2.028 -9.034 -17.219 1.00 0.00 C ATOM 1410 C HIS A 90 -3.337 -9.154 -18.002 1.00 0.00 C ATOM 1411 O HIS A 90 -4.163 -10.017 -17.710 1.00 0.00 O ATOM 1412 CB HIS A 90 -1.662 -10.321 -16.476 1.00 0.00 C ATOM 1413 CG HIS A 90 -0.276 -10.835 -16.786 1.00 0.00 C ATOM 1414 ND1 HIS A 90 0.347 -11.813 -16.030 1.00 0.00 N ATOM 1415 CD2 HIS A 90 0.599 -10.498 -17.777 1.00 0.00 C ATOM 1416 CE1 HIS A 90 1.543 -12.045 -16.551 1.00 0.00 C ATOM 1417 NE2 HIS A 90 1.697 -11.229 -17.633 1.00 0.00 N ATOM 0 H HIS A 90 -1.345 -7.244 -16.369 1.00 0.00 H new ATOM 0 HA HIS A 90 -1.229 -8.859 -17.939 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -1.742 -10.145 -15.403 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -2.389 -11.093 -16.727 1.00 0.00 H new ATOM 0 HD2 HIS A 90 0.427 -9.761 -18.548 1.00 0.00 H new ATOM 0 HE1 HIS A 90 2.269 -12.756 -16.183 1.00 0.00 H new ATOM 0 HE2 HIS A 90 2.521 -11.187 -18.233 1.00 0.00 H new ATOM 1425 N SER A 91 -3.485 -8.275 -18.982 1.00 0.00 N ATOM 1426 CA SER A 91 -4.680 -8.271 -19.810 1.00 0.00 C ATOM 1427 C SER A 91 -4.606 -7.133 -20.830 1.00 0.00 C ATOM 1428 O SER A 91 -5.066 -6.024 -20.562 1.00 0.00 O ATOM 1429 CB SER A 91 -5.942 -8.137 -18.955 1.00 0.00 C ATOM 1430 OG SER A 91 -6.831 -9.235 -19.141 1.00 0.00 O ATOM 0 H SER A 91 -2.798 -7.561 -19.222 1.00 0.00 H new ATOM 0 HA SER A 91 -4.732 -9.222 -20.340 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.662 -8.071 -17.904 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.454 -7.209 -19.208 1.00 0.00 H new ATOM 0 HG SER A 91 -7.623 -9.114 -18.577 1.00 0.00 H new ATOM 1436 N GLY A 92 -4.024 -7.447 -21.978 1.00 0.00 N ATOM 1437 CA GLY A 92 -3.885 -6.464 -23.039 1.00 0.00 C ATOM 1438 C GLY A 92 -3.224 -5.186 -22.519 1.00 0.00 C ATOM 1439 O GLY A 92 -2.357 -5.241 -21.649 1.00 0.00 O ATOM 0 H GLY A 92 -3.643 -8.368 -22.197 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.289 -6.882 -23.851 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.866 -6.228 -23.452 1.00 0.00 H new ATOM 1443 N PRO A 93 -3.671 -4.035 -23.090 1.00 0.00 N ATOM 1444 CA PRO A 93 -3.133 -2.745 -22.693 1.00 0.00 C ATOM 1445 C PRO A 93 -3.677 -2.320 -21.328 1.00 0.00 C ATOM 1446 O PRO A 93 -4.876 -2.091 -21.177 1.00 0.00 O ATOM 1447 CB PRO A 93 -3.527 -1.794 -23.811 1.00 0.00 C ATOM 1448 CG PRO A 93 -4.661 -2.476 -24.559 1.00 0.00 C ATOM 1449 CD PRO A 93 -4.697 -3.932 -24.123 1.00 0.00 C ATOM 0 HA PRO A 93 -2.051 -2.762 -22.565 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.846 -0.832 -23.411 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.684 -1.599 -24.474 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.611 -1.988 -24.340 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.506 -2.403 -25.636 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.678 -4.205 -23.735 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.487 -4.601 -24.958 1.00 0.00 H new ATOM 1457 N SER A 94 -2.768 -2.228 -20.367 1.00 0.00 N ATOM 1458 CA SER A 94 -3.142 -1.834 -19.019 1.00 0.00 C ATOM 1459 C SER A 94 -3.986 -0.559 -19.061 1.00 0.00 C ATOM 1460 O SER A 94 -4.779 -0.305 -18.155 1.00 0.00 O ATOM 1461 CB SER A 94 -1.905 -1.623 -18.144 1.00 0.00 C ATOM 1462 OG SER A 94 -1.128 -0.510 -18.578 1.00 0.00 O ATOM 0 H SER A 94 -1.774 -2.419 -20.495 1.00 0.00 H new ATOM 0 HA SER A 94 -3.732 -2.638 -18.579 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.214 -1.468 -17.110 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.291 -2.523 -18.162 1.00 0.00 H new ATOM 0 HG SER A 94 -0.348 -0.407 -17.993 1.00 0.00 H new ATOM 1468 N SER A 95 -3.788 0.209 -20.122 1.00 0.00 N ATOM 1469 CA SER A 95 -4.521 1.452 -20.294 1.00 0.00 C ATOM 1470 C SER A 95 -5.527 1.312 -21.438 1.00 0.00 C ATOM 1471 O SER A 95 -5.281 0.585 -22.400 1.00 0.00 O ATOM 1472 CB SER A 95 -3.570 2.620 -20.563 1.00 0.00 C ATOM 1473 OG SER A 95 -3.305 3.375 -19.384 1.00 0.00 O ATOM 0 H SER A 95 -3.130 -0.005 -20.872 1.00 0.00 H new ATOM 0 HA SER A 95 -5.059 1.663 -19.370 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.633 2.238 -20.967 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.002 3.272 -21.322 1.00 0.00 H new ATOM 0 HG SER A 95 -2.693 4.110 -19.597 1.00 0.00 H new ATOM 1479 N GLY A 96 -6.638 2.019 -21.297 1.00 0.00 N ATOM 1480 CA GLY A 96 -7.682 1.983 -22.306 1.00 0.00 C ATOM 1481 C GLY A 96 -7.229 2.682 -23.589 1.00 0.00 C ATOM 1482 O GLY A 96 -7.828 3.671 -24.007 1.00 0.00 O ATOM 0 H GLY A 96 -6.838 2.621 -20.498 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.945 0.948 -22.525 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.580 2.466 -21.922 1.00 0.00 H new TER 1486 GLY A 96