USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 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 21 ASN : amide:sc= 0.926 X(o=-0.13,f=-0.43) USER MOD Set 1.2: A 27 SER OG : rot -10:sc= -1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= 0.975 (180deg=-0.986!) USER MOD Single : A 2 ASN : amide:sc=-0.00866 K(o=-0.0087,f=-0.68) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc=-0.00911 K(o=-0.0091,f=-1.3) USER MOD Single : A 15 HIS : +bothHN:sc= 1.21 K(o=1.2,f=-12!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 0.785 (180deg=0.329) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0.448 (180deg=0.357) USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= 1.01 (180deg=0.0309) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.33 F(o=-2.2!,f=-0.33) USER MOD Single : A 49 THR OG1 : rot -170:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0981) USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= 1.24 (180deg=1.05) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.337 K(o=-0.34,f=-1.5) USER MOD Single : A 71 HIS : no HE2:sc= -1.96 K(o=-2,f=-2.5) USER MOD Single : A 80 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.5) USER MOD Single : A 84 HIS : no HE2:sc= 1.04 K(o=1,f=-4.9!) USER MOD Single : A 85 HIS : no HD1:sc= -0.561 X(o=-0.56,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.583 -1.970 -11.996 1.00 4.20 N ATOM 2 CA MET A 1 -9.362 -2.901 -12.846 1.00 12.21 C ATOM 3 C MET A 1 -9.562 -4.243 -12.141 1.00 10.22 C ATOM 4 O MET A 1 -10.604 -4.474 -11.532 1.00 53.24 O ATOM 5 CB MET A 1 -8.673 -3.108 -14.200 1.00 15.31 C ATOM 6 CG MET A 1 -9.504 -3.911 -15.190 1.00 44.44 C ATOM 7 SD MET A 1 -8.653 -4.176 -16.757 1.00 71.01 S ATOM 8 CE MET A 1 -9.872 -5.134 -17.655 1.00 22.14 C ATOM 0 H1 MET A 1 -8.915 -0.997 -12.153 1.00 4.20 H new ATOM 0 H2 MET A 1 -8.712 -2.223 -10.995 1.00 4.20 H new ATOM 0 H3 MET A 1 -7.575 -2.036 -12.242 1.00 4.20 H new ATOM 0 HA MET A 1 -10.341 -2.455 -13.022 1.00 12.21 H new ATOM 0 HB2 MET A 1 -8.445 -2.135 -14.635 1.00 15.31 H new ATOM 0 HB3 MET A 1 -7.722 -3.616 -14.040 1.00 15.31 H new ATOM 0 HG2 MET A 1 -9.755 -4.876 -14.749 1.00 44.44 H new ATOM 0 HG3 MET A 1 -10.444 -3.391 -15.375 1.00 44.44 H new ATOM 0 HE1 MET A 1 -9.488 -5.374 -18.646 1.00 22.14 H new ATOM 0 HE2 MET A 1 -10.081 -6.056 -17.113 1.00 22.14 H new ATOM 0 HE3 MET A 1 -10.790 -4.555 -17.753 1.00 22.14 H new ATOM 20 N ASN A 2 -8.575 -5.131 -12.212 1.00 72.11 N ATOM 21 CA ASN A 2 -8.672 -6.406 -11.511 1.00 4.43 C ATOM 22 C ASN A 2 -7.919 -6.318 -10.193 1.00 25.50 C ATOM 23 O ASN A 2 -6.692 -6.381 -10.165 1.00 72.15 O ATOM 24 CB ASN A 2 -8.118 -7.548 -12.365 1.00 61.44 C ATOM 25 CG ASN A 2 -8.113 -8.872 -11.623 1.00 3.02 C ATOM 26 OD1 ASN A 2 -8.952 -9.115 -10.757 1.00 14.32 O ATOM 27 ND2 ASN A 2 -7.167 -9.736 -11.955 1.00 23.53 N ATOM 0 H ASN A 2 -7.712 -4.995 -12.739 1.00 72.11 H new ATOM 0 HA ASN A 2 -9.723 -6.617 -11.315 1.00 4.43 H new ATOM 0 HB2 ASN A 2 -8.716 -7.644 -13.271 1.00 61.44 H new ATOM 0 HB3 ASN A 2 -7.102 -7.305 -12.678 1.00 61.44 H new ATOM 0 HD21 ASN A 2 -7.116 -10.641 -11.487 1.00 23.53 H new ATOM 0 HD22 ASN A 2 -6.489 -9.497 -12.679 1.00 23.53 H new ATOM 34 N VAL A 3 -8.669 -6.232 -9.107 1.00 21.12 N ATOM 35 CA VAL A 3 -8.112 -5.846 -7.819 1.00 14.15 C ATOM 36 C VAL A 3 -7.144 -6.887 -7.258 1.00 12.23 C ATOM 37 O VAL A 3 -6.154 -6.529 -6.627 1.00 1.42 O ATOM 38 CB VAL A 3 -9.225 -5.554 -6.788 1.00 4.21 C ATOM 39 CG1 VAL A 3 -10.001 -6.815 -6.429 1.00 44.20 C ATOM 40 CG2 VAL A 3 -8.646 -4.894 -5.546 1.00 61.33 C ATOM 0 H VAL A 3 -9.670 -6.425 -9.091 1.00 21.12 H new ATOM 0 HA VAL A 3 -7.545 -4.932 -7.999 1.00 14.15 H new ATOM 0 HB VAL A 3 -9.930 -4.860 -7.246 1.00 4.21 H new ATOM 0 HG11 VAL A 3 -10.775 -6.571 -5.702 1.00 44.20 H new ATOM 0 HG12 VAL A 3 -10.463 -7.226 -7.327 1.00 44.20 H new ATOM 0 HG13 VAL A 3 -9.321 -7.552 -6.001 1.00 44.20 H new ATOM 0 HG21 VAL A 3 -9.446 -4.697 -4.832 1.00 61.33 H new ATOM 0 HG22 VAL A 3 -7.910 -5.557 -5.091 1.00 61.33 H new ATOM 0 HG23 VAL A 3 -8.167 -3.955 -5.823 1.00 61.33 H new ATOM 50 N ASP A 4 -7.409 -8.163 -7.511 1.00 41.34 N ATOM 51 CA ASP A 4 -6.582 -9.231 -6.949 1.00 40.21 C ATOM 52 C ASP A 4 -5.126 -9.070 -7.355 1.00 5.15 C ATOM 53 O ASP A 4 -4.224 -9.233 -6.536 1.00 41.21 O ATOM 54 CB ASP A 4 -7.090 -10.613 -7.366 1.00 24.11 C ATOM 55 CG ASP A 4 -8.331 -11.033 -6.607 1.00 53.32 C ATOM 56 OD1 ASP A 4 -8.243 -11.240 -5.378 1.00 73.13 O ATOM 57 OD2 ASP A 4 -9.395 -11.184 -7.240 1.00 71.31 O ATOM 0 H ASP A 4 -8.181 -8.484 -8.095 1.00 41.34 H new ATOM 0 HA ASP A 4 -6.653 -9.152 -5.864 1.00 40.21 H new ATOM 0 HB2 ASP A 4 -7.306 -10.609 -8.434 1.00 24.11 H new ATOM 0 HB3 ASP A 4 -6.303 -11.349 -7.203 1.00 24.11 H new ATOM 62 N HIS A 5 -4.895 -8.729 -8.612 1.00 74.22 N ATOM 63 CA HIS A 5 -3.536 -8.537 -9.093 1.00 54.42 C ATOM 64 C HIS A 5 -3.012 -7.166 -8.686 1.00 44.42 C ATOM 65 O HIS A 5 -1.814 -6.991 -8.485 1.00 54.15 O ATOM 66 CB HIS A 5 -3.455 -8.698 -10.611 1.00 43.11 C ATOM 67 CG HIS A 5 -2.045 -8.693 -11.121 1.00 74.12 C ATOM 68 ND1 HIS A 5 -1.497 -7.642 -11.824 1.00 14.52 N ATOM 69 CD2 HIS A 5 -1.058 -9.613 -10.998 1.00 34.30 C ATOM 70 CE1 HIS A 5 -0.238 -7.916 -12.109 1.00 33.25 C ATOM 71 NE2 HIS A 5 0.054 -9.106 -11.618 1.00 44.11 N ATOM 0 H HIS A 5 -5.622 -8.581 -9.312 1.00 74.22 H new ATOM 0 HA HIS A 5 -2.913 -9.305 -8.635 1.00 54.42 H new ATOM 0 HB2 HIS A 5 -3.937 -9.632 -10.899 1.00 43.11 H new ATOM 0 HB3 HIS A 5 -4.012 -7.891 -11.088 1.00 43.11 H new ATOM 0 HD2 HIS A 5 -1.134 -10.570 -10.503 1.00 34.30 H new ATOM 0 HE1 HIS A 5 0.440 -7.274 -12.653 1.00 33.25 H new ATOM 0 HE2 HIS A 5 0.959 -9.572 -11.688 1.00 44.11 H new ATOM 80 N GLU A 6 -3.911 -6.201 -8.558 1.00 42.10 N ATOM 81 CA GLU A 6 -3.523 -4.842 -8.198 1.00 21.52 C ATOM 82 C GLU A 6 -3.082 -4.779 -6.741 1.00 72.31 C ATOM 83 O GLU A 6 -2.244 -3.961 -6.369 1.00 75.11 O ATOM 84 CB GLU A 6 -4.670 -3.872 -8.482 1.00 51.53 C ATOM 85 CG GLU A 6 -5.131 -3.953 -9.925 1.00 75.43 C ATOM 86 CD GLU A 6 -6.219 -2.969 -10.289 1.00 20.30 C ATOM 87 OE1 GLU A 6 -7.257 -2.928 -9.598 1.00 23.50 O ATOM 88 OE2 GLU A 6 -6.068 -2.274 -11.315 1.00 72.30 O ATOM 0 H GLU A 6 -4.913 -6.332 -8.697 1.00 42.10 H new ATOM 0 HA GLU A 6 -2.673 -4.543 -8.811 1.00 21.52 H new ATOM 0 HB2 GLU A 6 -5.507 -4.095 -7.820 1.00 51.53 H new ATOM 0 HB3 GLU A 6 -4.349 -2.854 -8.259 1.00 51.53 H new ATOM 0 HG2 GLU A 6 -4.274 -3.786 -10.577 1.00 75.43 H new ATOM 0 HG3 GLU A 6 -5.490 -4.963 -10.123 1.00 75.43 H new ATOM 95 N VAL A 7 -3.637 -5.661 -5.919 1.00 45.03 N ATOM 96 CA VAL A 7 -3.178 -5.812 -4.543 1.00 43.44 C ATOM 97 C VAL A 7 -1.770 -6.412 -4.530 1.00 42.34 C ATOM 98 O VAL A 7 -0.909 -5.981 -3.768 1.00 43.32 O ATOM 99 CB VAL A 7 -4.131 -6.696 -3.707 1.00 54.21 C ATOM 100 CG1 VAL A 7 -3.617 -6.855 -2.284 1.00 31.35 C ATOM 101 CG2 VAL A 7 -5.531 -6.104 -3.694 1.00 43.53 C ATOM 0 H VAL A 7 -4.404 -6.281 -6.180 1.00 45.03 H new ATOM 0 HA VAL A 7 -3.165 -4.821 -4.089 1.00 43.44 H new ATOM 0 HB VAL A 7 -4.170 -7.682 -4.171 1.00 54.21 H new ATOM 0 HG11 VAL A 7 -4.305 -7.481 -1.716 1.00 31.35 H new ATOM 0 HG12 VAL A 7 -2.633 -7.323 -2.303 1.00 31.35 H new ATOM 0 HG13 VAL A 7 -3.544 -5.875 -1.812 1.00 31.35 H new ATOM 0 HG21 VAL A 7 -6.189 -6.739 -3.101 1.00 43.53 H new ATOM 0 HG22 VAL A 7 -5.500 -5.106 -3.257 1.00 43.53 H new ATOM 0 HG23 VAL A 7 -5.909 -6.042 -4.714 1.00 43.53 H new ATOM 111 N ASN A 8 -1.540 -7.400 -5.394 1.00 4.14 N ATOM 112 CA ASN A 8 -0.200 -7.968 -5.575 1.00 15.00 C ATOM 113 C ASN A 8 0.760 -6.901 -6.083 1.00 11.25 C ATOM 114 O ASN A 8 1.933 -6.881 -5.718 1.00 5.40 O ATOM 115 CB ASN A 8 -0.228 -9.132 -6.574 1.00 43.13 C ATOM 116 CG ASN A 8 -0.901 -10.382 -6.040 1.00 30.43 C ATOM 117 OD1 ASN A 8 -1.788 -10.323 -5.189 1.00 52.22 O ATOM 118 ND2 ASN A 8 -0.503 -11.529 -6.569 1.00 12.23 N ATOM 0 H ASN A 8 -2.260 -7.824 -5.979 1.00 4.14 H new ATOM 0 HA ASN A 8 0.139 -8.338 -4.607 1.00 15.00 H new ATOM 0 HB2 ASN A 8 -0.745 -8.810 -7.478 1.00 43.13 H new ATOM 0 HB3 ASN A 8 0.795 -9.376 -6.862 1.00 43.13 H new ATOM 0 HD21 ASN A 8 -0.935 -12.404 -6.273 1.00 12.23 H new ATOM 0 HD22 ASN A 8 0.236 -11.537 -7.272 1.00 12.23 H new ATOM 125 N LEU A 9 0.252 -6.025 -6.937 1.00 54.40 N ATOM 126 CA LEU A 9 1.023 -4.898 -7.431 1.00 53.00 C ATOM 127 C LEU A 9 1.354 -3.964 -6.278 1.00 70.33 C ATOM 128 O LEU A 9 2.476 -3.480 -6.157 1.00 43.31 O ATOM 129 CB LEU A 9 0.230 -4.160 -8.510 1.00 31.13 C ATOM 130 CG LEU A 9 0.879 -2.884 -9.042 1.00 15.53 C ATOM 131 CD1 LEU A 9 2.195 -3.197 -9.734 1.00 4.32 C ATOM 132 CD2 LEU A 9 -0.067 -2.165 -9.989 1.00 73.21 C ATOM 0 H LEU A 9 -0.699 -6.076 -7.304 1.00 54.40 H new ATOM 0 HA LEU A 9 1.954 -5.257 -7.871 1.00 53.00 H new ATOM 0 HB2 LEU A 9 0.066 -4.840 -9.346 1.00 31.13 H new ATOM 0 HB3 LEU A 9 -0.751 -3.908 -8.108 1.00 31.13 H new ATOM 0 HG LEU A 9 1.089 -2.227 -8.198 1.00 15.53 H new ATOM 0 HD11 LEU A 9 2.640 -2.274 -10.105 1.00 4.32 H new ATOM 0 HD12 LEU A 9 2.876 -3.668 -9.025 1.00 4.32 H new ATOM 0 HD13 LEU A 9 2.015 -3.874 -10.569 1.00 4.32 H new ATOM 0 HD21 LEU A 9 0.410 -1.258 -10.360 1.00 73.21 H new ATOM 0 HD22 LEU A 9 -0.307 -2.818 -10.828 1.00 73.21 H new ATOM 0 HD23 LEU A 9 -0.983 -1.903 -9.459 1.00 73.21 H new ATOM 144 N LEU A 10 0.366 -3.743 -5.423 1.00 24.33 N ATOM 145 CA LEU A 10 0.533 -2.916 -4.238 1.00 51.10 C ATOM 146 C LEU A 10 1.667 -3.444 -3.369 1.00 13.41 C ATOM 147 O LEU A 10 2.561 -2.693 -2.982 1.00 13.52 O ATOM 148 CB LEU A 10 -0.776 -2.882 -3.442 1.00 22.32 C ATOM 149 CG LEU A 10 -0.760 -2.036 -2.167 1.00 23.23 C ATOM 150 CD1 LEU A 10 -0.570 -0.564 -2.498 1.00 32.12 C ATOM 151 CD2 LEU A 10 -2.047 -2.249 -1.380 1.00 75.35 C ATOM 0 H LEU A 10 -0.571 -4.131 -5.531 1.00 24.33 H new ATOM 0 HA LEU A 10 0.788 -1.903 -4.550 1.00 51.10 H new ATOM 0 HB2 LEU A 10 -1.566 -2.508 -4.094 1.00 22.32 H new ATOM 0 HB3 LEU A 10 -1.042 -3.904 -3.173 1.00 22.32 H new ATOM 0 HG LEU A 10 0.082 -2.353 -1.551 1.00 23.23 H new ATOM 0 HD11 LEU A 10 -0.562 0.018 -1.576 1.00 32.12 H new ATOM 0 HD12 LEU A 10 0.376 -0.428 -3.021 1.00 32.12 H new ATOM 0 HD13 LEU A 10 -1.388 -0.225 -3.134 1.00 32.12 H new ATOM 0 HD21 LEU A 10 -2.025 -1.642 -0.475 1.00 75.35 H new ATOM 0 HD22 LEU A 10 -2.900 -1.957 -1.992 1.00 75.35 H new ATOM 0 HD23 LEU A 10 -2.138 -3.301 -1.109 1.00 75.35 H new ATOM 163 N VAL A 11 1.643 -4.743 -3.085 1.00 65.41 N ATOM 164 CA VAL A 11 2.673 -5.347 -2.251 1.00 50.35 C ATOM 165 C VAL A 11 4.022 -5.329 -2.968 1.00 22.10 C ATOM 166 O VAL A 11 5.066 -5.229 -2.331 1.00 42.32 O ATOM 167 CB VAL A 11 2.326 -6.797 -1.814 1.00 12.05 C ATOM 168 CG1 VAL A 11 0.878 -6.897 -1.372 1.00 30.23 C ATOM 169 CG2 VAL A 11 2.638 -7.815 -2.900 1.00 63.04 C ATOM 0 H VAL A 11 0.929 -5.391 -3.417 1.00 65.41 H new ATOM 0 HA VAL A 11 2.730 -4.743 -1.345 1.00 50.35 H new ATOM 0 HB VAL A 11 2.962 -7.037 -0.962 1.00 12.05 H new ATOM 0 HG11 VAL A 11 0.659 -7.922 -1.071 1.00 30.23 H new ATOM 0 HG12 VAL A 11 0.708 -6.227 -0.529 1.00 30.23 H new ATOM 0 HG13 VAL A 11 0.225 -6.614 -2.198 1.00 30.23 H new ATOM 0 HG21 VAL A 11 2.379 -8.814 -2.548 1.00 63.04 H new ATOM 0 HG22 VAL A 11 2.058 -7.583 -3.793 1.00 63.04 H new ATOM 0 HG23 VAL A 11 3.701 -7.779 -3.138 1.00 63.04 H new ATOM 179 N GLU A 12 3.993 -5.403 -4.298 1.00 34.51 N ATOM 180 CA GLU A 12 5.215 -5.382 -5.092 1.00 45.11 C ATOM 181 C GLU A 12 5.895 -4.026 -4.966 1.00 50.11 C ATOM 182 O GLU A 12 7.109 -3.943 -4.763 1.00 74.05 O ATOM 183 CB GLU A 12 4.909 -5.678 -6.561 1.00 12.33 C ATOM 184 CG GLU A 12 5.844 -6.704 -7.182 1.00 74.14 C ATOM 185 CD GLU A 12 7.307 -6.406 -6.926 1.00 42.24 C ATOM 186 OE1 GLU A 12 7.863 -5.506 -7.595 1.00 14.35 O ATOM 187 OE2 GLU A 12 7.908 -7.078 -6.060 1.00 11.04 O ATOM 0 H GLU A 12 3.136 -5.478 -4.846 1.00 34.51 H new ATOM 0 HA GLU A 12 5.885 -6.155 -4.715 1.00 45.11 H new ATOM 0 HB2 GLU A 12 3.883 -6.036 -6.645 1.00 12.33 H new ATOM 0 HB3 GLU A 12 4.971 -4.751 -7.130 1.00 12.33 H new ATOM 0 HG2 GLU A 12 5.606 -7.691 -6.786 1.00 74.14 H new ATOM 0 HG3 GLU A 12 5.670 -6.742 -8.257 1.00 74.14 H new ATOM 194 N GLU A 13 5.108 -2.966 -5.070 1.00 2.41 N ATOM 195 CA GLU A 13 5.628 -1.618 -4.905 1.00 12.35 C ATOM 196 C GLU A 13 6.209 -1.454 -3.505 1.00 40.21 C ATOM 197 O GLU A 13 7.259 -0.839 -3.329 1.00 0.10 O ATOM 198 CB GLU A 13 4.533 -0.579 -5.148 1.00 20.22 C ATOM 199 CG GLU A 13 3.859 -0.707 -6.507 1.00 10.53 C ATOM 200 CD GLU A 13 4.845 -0.725 -7.659 1.00 32.30 C ATOM 201 OE1 GLU A 13 5.337 0.353 -8.051 1.00 54.53 O ATOM 202 OE2 GLU A 13 5.138 -1.818 -8.186 1.00 4.11 O ATOM 0 H GLU A 13 4.108 -3.013 -5.268 1.00 2.41 H new ATOM 0 HA GLU A 13 6.417 -1.459 -5.640 1.00 12.35 H new ATOM 0 HB2 GLU A 13 3.778 -0.671 -4.368 1.00 20.22 H new ATOM 0 HB3 GLU A 13 4.964 0.418 -5.059 1.00 20.22 H new ATOM 0 HG2 GLU A 13 3.268 -1.622 -6.528 1.00 10.53 H new ATOM 0 HG3 GLU A 13 3.166 0.123 -6.642 1.00 10.53 H new ATOM 209 N ILE A 14 5.531 -2.031 -2.515 1.00 62.32 N ATOM 210 CA ILE A 14 6.018 -2.010 -1.139 1.00 4.22 C ATOM 211 C ILE A 14 7.310 -2.824 -1.008 1.00 0.15 C ATOM 212 O ILE A 14 8.190 -2.476 -0.225 1.00 64.44 O ATOM 213 CB ILE A 14 4.961 -2.542 -0.140 1.00 21.12 C ATOM 214 CG1 ILE A 14 3.672 -1.721 -0.249 1.00 64.40 C ATOM 215 CG2 ILE A 14 5.499 -2.495 1.289 1.00 54.22 C ATOM 216 CD1 ILE A 14 2.549 -2.227 0.631 1.00 0.53 C ATOM 0 H ILE A 14 4.644 -2.518 -2.641 1.00 62.32 H new ATOM 0 HA ILE A 14 6.221 -0.968 -0.891 1.00 4.22 H new ATOM 0 HB ILE A 14 4.740 -3.580 -0.390 1.00 21.12 H new ATOM 0 HG12 ILE A 14 3.889 -0.686 0.014 1.00 64.40 H new ATOM 0 HG13 ILE A 14 3.337 -1.723 -1.286 1.00 64.40 H new ATOM 0 HG21 ILE A 14 4.741 -2.873 1.976 1.00 54.22 H new ATOM 0 HG22 ILE A 14 6.394 -3.112 1.361 1.00 54.22 H new ATOM 0 HG23 ILE A 14 5.746 -1.466 1.551 1.00 54.22 H new ATOM 0 HD11 ILE A 14 1.671 -1.595 0.499 1.00 0.53 H new ATOM 0 HD12 ILE A 14 2.304 -3.252 0.354 1.00 0.53 H new ATOM 0 HD13 ILE A 14 2.863 -2.198 1.674 1.00 0.53 H new ATOM 228 N HIS A 15 7.422 -3.900 -1.787 1.00 42.03 N ATOM 229 CA HIS A 15 8.638 -4.717 -1.801 1.00 23.33 C ATOM 230 C HIS A 15 9.861 -3.856 -2.106 1.00 21.22 C ATOM 231 O HIS A 15 10.878 -3.939 -1.422 1.00 63.31 O ATOM 232 CB HIS A 15 8.569 -5.830 -2.860 1.00 63.03 C ATOM 233 CG HIS A 15 7.596 -6.943 -2.589 1.00 11.40 C ATOM 234 ND1 HIS A 15 7.177 -7.805 -3.578 1.00 74.35 N ATOM 235 CD2 HIS A 15 6.991 -7.364 -1.451 1.00 70.12 C ATOM 236 CE1 HIS A 15 6.366 -8.708 -3.062 1.00 73.14 C ATOM 237 NE2 HIS A 15 6.237 -8.465 -1.773 1.00 32.43 N ATOM 0 H HIS A 15 6.688 -4.227 -2.416 1.00 42.03 H new ATOM 0 HA HIS A 15 8.721 -5.165 -0.811 1.00 23.33 H new ATOM 0 HB2 HIS A 15 8.313 -5.377 -3.818 1.00 63.03 H new ATOM 0 HB3 HIS A 15 9.564 -6.263 -2.968 1.00 63.03 H new ATOM 0 HD1 HIS A 15 7.452 -7.753 -4.559 1.00 74.35 H new ATOM 0 HD2 HIS A 15 7.085 -6.916 -0.473 1.00 70.12 H new ATOM 0 HE1 HIS A 15 5.888 -9.511 -3.604 1.00 73.14 H new ATOM 0 HE2 HIS A 15 5.670 -9.007 -1.121 1.00 32.43 H new ATOM 246 N ARG A 16 9.753 -3.040 -3.147 1.00 53.41 N ATOM 247 CA ARG A 16 10.884 -2.252 -3.625 1.00 53.53 C ATOM 248 C ARG A 16 10.998 -0.910 -2.901 1.00 51.52 C ATOM 249 O ARG A 16 12.085 -0.516 -2.482 1.00 53.04 O ATOM 250 CB ARG A 16 10.770 -2.023 -5.132 1.00 65.24 C ATOM 251 CG ARG A 16 10.470 -3.290 -5.920 1.00 13.12 C ATOM 252 CD ARG A 16 10.429 -3.019 -7.417 1.00 74.44 C ATOM 253 NE ARG A 16 9.761 -1.752 -7.718 1.00 73.24 N ATOM 254 CZ ARG A 16 8.449 -1.616 -7.907 1.00 21.23 C ATOM 255 NH1 ARG A 16 7.643 -2.675 -7.860 1.00 64.34 N ATOM 256 NH2 ARG A 16 7.942 -0.413 -8.146 1.00 53.13 N ATOM 0 H ARG A 16 8.892 -2.906 -3.678 1.00 53.41 H new ATOM 0 HA ARG A 16 11.789 -2.821 -3.409 1.00 53.53 H new ATOM 0 HB2 ARG A 16 9.984 -1.293 -5.322 1.00 65.24 H new ATOM 0 HB3 ARG A 16 11.702 -1.590 -5.497 1.00 65.24 H new ATOM 0 HG2 ARG A 16 11.230 -4.041 -5.706 1.00 13.12 H new ATOM 0 HG3 ARG A 16 9.514 -3.703 -5.598 1.00 13.12 H new ATOM 0 HD2 ARG A 16 11.445 -2.998 -7.811 1.00 74.44 H new ATOM 0 HD3 ARG A 16 9.909 -3.834 -7.921 1.00 74.44 H new ATOM 0 HE ARG A 16 10.340 -0.915 -7.788 1.00 73.24 H new ATOM 0 HH11 ARG A 16 8.028 -3.602 -7.678 1.00 64.34 H new ATOM 0 HH12 ARG A 16 6.640 -2.560 -8.006 1.00 64.34 H new ATOM 0 HH21 ARG A 16 8.556 0.401 -8.184 1.00 53.13 H new ATOM 0 HH22 ARG A 16 6.939 -0.302 -8.292 1.00 53.13 H new ATOM 270 N LEU A 17 9.877 -0.212 -2.744 1.00 11.53 N ATOM 271 CA LEU A 17 9.894 1.135 -2.178 1.00 13.34 C ATOM 272 C LEU A 17 9.994 1.099 -0.660 1.00 35.34 C ATOM 273 O LEU A 17 10.549 2.009 -0.047 1.00 40.33 O ATOM 274 CB LEU A 17 8.634 1.912 -2.575 1.00 52.21 C ATOM 275 CG LEU A 17 8.476 2.214 -4.065 1.00 73.22 C ATOM 276 CD1 LEU A 17 7.171 2.956 -4.313 1.00 50.45 C ATOM 277 CD2 LEU A 17 9.656 3.026 -4.579 1.00 53.24 C ATOM 0 H LEU A 17 8.950 -0.553 -2.999 1.00 11.53 H new ATOM 0 HA LEU A 17 10.774 1.637 -2.580 1.00 13.34 H new ATOM 0 HB2 LEU A 17 7.763 1.346 -2.245 1.00 52.21 H new ATOM 0 HB3 LEU A 17 8.626 2.856 -2.030 1.00 52.21 H new ATOM 0 HG LEU A 17 8.452 1.270 -4.609 1.00 73.22 H new ATOM 0 HD11 LEU A 17 7.069 3.166 -5.378 1.00 50.45 H new ATOM 0 HD12 LEU A 17 6.334 2.341 -3.982 1.00 50.45 H new ATOM 0 HD13 LEU A 17 7.174 3.893 -3.757 1.00 50.45 H new ATOM 0 HD21 LEU A 17 9.522 3.229 -5.642 1.00 53.24 H new ATOM 0 HD22 LEU A 17 9.714 3.968 -4.034 1.00 53.24 H new ATOM 0 HD23 LEU A 17 10.577 2.463 -4.430 1.00 53.24 H new ATOM 289 N GLY A 18 9.461 0.050 -0.060 1.00 31.23 N ATOM 290 CA GLY A 18 9.423 -0.031 1.380 1.00 15.03 C ATOM 291 C GLY A 18 10.665 -0.670 1.954 1.00 43.25 C ATOM 292 O GLY A 18 11.419 -1.342 1.245 1.00 63.41 O ATOM 0 H GLY A 18 9.053 -0.748 -0.546 1.00 31.23 H new ATOM 0 HA2 GLY A 18 9.308 0.971 1.795 1.00 15.03 H new ATOM 0 HA3 GLY A 18 8.548 -0.605 1.686 1.00 15.03 H new ATOM 296 N SER A 19 10.881 -0.457 3.235 1.00 14.13 N ATOM 297 CA SER A 19 12.018 -1.033 3.930 1.00 63.44 C ATOM 298 C SER A 19 11.536 -1.953 5.037 1.00 10.00 C ATOM 299 O SER A 19 10.411 -1.815 5.518 1.00 12.32 O ATOM 300 CB SER A 19 12.896 0.076 4.514 1.00 50.42 C ATOM 301 OG SER A 19 13.290 0.993 3.506 1.00 4.30 O ATOM 0 H SER A 19 10.278 0.117 3.824 1.00 14.13 H new ATOM 0 HA SER A 19 12.610 -1.612 3.220 1.00 63.44 H new ATOM 0 HB2 SER A 19 12.351 0.603 5.297 1.00 50.42 H new ATOM 0 HB3 SER A 19 13.780 -0.361 4.979 1.00 50.42 H new ATOM 0 HG SER A 19 13.849 1.694 3.902 1.00 4.30 H new ATOM 307 N LYS A 20 12.372 -2.905 5.422 1.00 13.24 N ATOM 308 CA LYS A 20 12.038 -3.792 6.519 1.00 53.14 C ATOM 309 C LYS A 20 12.334 -3.121 7.845 1.00 33.12 C ATOM 310 O LYS A 20 13.448 -2.655 8.085 1.00 3.44 O ATOM 311 CB LYS A 20 12.789 -5.121 6.425 1.00 31.02 C ATOM 312 CG LYS A 20 12.170 -6.094 5.438 1.00 53.52 C ATOM 313 CD LYS A 20 12.878 -7.441 5.464 1.00 62.44 C ATOM 314 CE LYS A 20 12.234 -8.441 4.515 1.00 23.44 C ATOM 315 NZ LYS A 20 12.522 -8.132 3.089 1.00 44.31 N ATOM 0 H LYS A 20 13.280 -3.081 4.993 1.00 13.24 H new ATOM 0 HA LYS A 20 10.972 -4.008 6.453 1.00 53.14 H new ATOM 0 HB2 LYS A 20 13.821 -4.927 6.134 1.00 31.02 H new ATOM 0 HB3 LYS A 20 12.818 -5.584 7.411 1.00 31.02 H new ATOM 0 HG2 LYS A 20 11.115 -6.232 5.674 1.00 53.52 H new ATOM 0 HG3 LYS A 20 12.219 -5.675 4.433 1.00 53.52 H new ATOM 0 HD2 LYS A 20 13.925 -7.306 5.192 1.00 62.44 H new ATOM 0 HD3 LYS A 20 12.861 -7.840 6.478 1.00 62.44 H new ATOM 0 HE2 LYS A 20 12.595 -9.443 4.747 1.00 23.44 H new ATOM 0 HE3 LYS A 20 11.155 -8.446 4.673 1.00 23.44 H new ATOM 0 HZ1 LYS A 20 12.063 -8.840 2.481 1.00 44.31 H new ATOM 0 HZ2 LYS A 20 12.155 -7.187 2.858 1.00 44.31 H new ATOM 0 HZ3 LYS A 20 13.550 -8.153 2.930 1.00 44.31 H new ATOM 329 N ASN A 21 11.317 -3.063 8.682 1.00 12.01 N ATOM 330 CA ASN A 21 11.440 -2.486 10.014 1.00 44.24 C ATOM 331 C ASN A 21 12.109 -3.490 10.941 1.00 0.41 C ATOM 332 O ASN A 21 12.337 -4.637 10.556 1.00 73.32 O ATOM 333 CB ASN A 21 10.057 -2.137 10.584 1.00 55.22 C ATOM 334 CG ASN A 21 9.192 -1.334 9.640 1.00 73.11 C ATOM 335 OD1 ASN A 21 9.675 -0.506 8.870 1.00 32.11 O ATOM 336 ND2 ASN A 21 7.896 -1.587 9.698 1.00 62.11 N ATOM 0 H ASN A 21 10.384 -3.412 8.463 1.00 12.01 H new ATOM 0 HA ASN A 21 12.038 -1.577 9.942 1.00 44.24 H new ATOM 0 HB2 ASN A 21 9.537 -3.060 10.842 1.00 55.22 H new ATOM 0 HB3 ASN A 21 10.187 -1.575 11.509 1.00 55.22 H new ATOM 0 HD21 ASN A 21 7.251 -1.086 9.087 1.00 62.11 H new ATOM 0 HD22 ASN A 21 7.541 -2.283 10.353 1.00 62.11 H new ATOM 343 N ALA A 22 12.385 -3.072 12.170 1.00 33.24 N ATOM 344 CA ALA A 22 12.884 -3.983 13.197 1.00 20.14 C ATOM 345 C ALA A 22 11.798 -4.994 13.573 1.00 73.41 C ATOM 346 O ALA A 22 12.042 -5.964 14.291 1.00 34.12 O ATOM 347 CB ALA A 22 13.339 -3.201 14.419 1.00 1.44 C ATOM 0 H ALA A 22 12.272 -2.107 12.482 1.00 33.24 H new ATOM 0 HA ALA A 22 13.742 -4.528 12.802 1.00 20.14 H new ATOM 0 HB1 ALA A 22 13.708 -3.892 15.176 1.00 1.44 H new ATOM 0 HB2 ALA A 22 14.136 -2.514 14.135 1.00 1.44 H new ATOM 0 HB3 ALA A 22 12.499 -2.636 14.823 1.00 1.44 H new ATOM 353 N ASP A 23 10.596 -4.740 13.065 1.00 13.41 N ATOM 354 CA ASP A 23 9.448 -5.623 13.247 1.00 41.42 C ATOM 355 C ASP A 23 9.477 -6.738 12.193 1.00 44.21 C ATOM 356 O ASP A 23 8.592 -7.591 12.133 1.00 75.24 O ATOM 357 CB ASP A 23 8.164 -4.794 13.119 1.00 14.32 C ATOM 358 CG ASP A 23 6.902 -5.520 13.557 1.00 52.10 C ATOM 359 OD1 ASP A 23 6.992 -6.632 14.117 1.00 32.25 O ATOM 360 OD2 ASP A 23 5.802 -4.976 13.325 1.00 45.32 O ATOM 0 H ASP A 23 10.389 -3.909 12.511 1.00 13.41 H new ATOM 0 HA ASP A 23 9.483 -6.085 14.234 1.00 41.42 H new ATOM 0 HB2 ASP A 23 8.271 -3.886 13.713 1.00 14.32 H new ATOM 0 HB3 ASP A 23 8.048 -4.484 12.081 1.00 14.32 H new ATOM 365 N GLY A 24 10.499 -6.699 11.341 1.00 71.44 N ATOM 366 CA GLY A 24 10.692 -7.737 10.347 1.00 42.20 C ATOM 367 C GLY A 24 9.673 -7.676 9.227 1.00 10.33 C ATOM 368 O GLY A 24 9.396 -8.685 8.578 1.00 71.40 O ATOM 0 H GLY A 24 11.201 -5.959 11.324 1.00 71.44 H new ATOM 0 HA2 GLY A 24 11.693 -7.648 9.926 1.00 42.20 H new ATOM 0 HA3 GLY A 24 10.635 -8.712 10.831 1.00 42.20 H new ATOM 372 N LYS A 25 9.115 -6.499 8.993 1.00 4.24 N ATOM 373 CA LYS A 25 8.103 -6.333 7.963 1.00 33.11 C ATOM 374 C LYS A 25 8.367 -5.087 7.136 1.00 23.22 C ATOM 375 O LYS A 25 8.964 -4.127 7.622 1.00 22.13 O ATOM 376 CB LYS A 25 6.709 -6.283 8.591 1.00 45.23 C ATOM 377 CG LYS A 25 6.228 -7.643 9.066 1.00 14.31 C ATOM 378 CD LYS A 25 4.870 -7.561 9.737 1.00 11.21 C ATOM 379 CE LYS A 25 4.983 -7.067 11.167 1.00 73.31 C ATOM 380 NZ LYS A 25 5.813 -7.972 12.007 1.00 52.35 N ATOM 0 H LYS A 25 9.346 -5.646 9.502 1.00 4.24 H new ATOM 0 HA LYS A 25 8.151 -7.193 7.295 1.00 33.11 H new ATOM 0 HB2 LYS A 25 6.720 -5.592 9.434 1.00 45.23 H new ATOM 0 HB3 LYS A 25 6.001 -5.887 7.863 1.00 45.23 H new ATOM 0 HG2 LYS A 25 6.173 -8.325 8.218 1.00 14.31 H new ATOM 0 HG3 LYS A 25 6.953 -8.061 9.764 1.00 14.31 H new ATOM 0 HD2 LYS A 25 4.223 -6.891 9.170 1.00 11.21 H new ATOM 0 HD3 LYS A 25 4.399 -8.544 9.727 1.00 11.21 H new ATOM 0 HE2 LYS A 25 5.418 -6.068 11.172 1.00 73.31 H new ATOM 0 HE3 LYS A 25 3.987 -6.983 11.601 1.00 73.31 H new ATOM 0 HZ1 LYS A 25 5.661 -7.749 13.012 1.00 52.35 H new ATOM 0 HZ2 LYS A 25 5.541 -8.960 11.826 1.00 52.35 H new ATOM 0 HZ3 LYS A 25 6.817 -7.840 11.771 1.00 52.35 H new ATOM 394 N LEU A 26 7.937 -5.126 5.881 1.00 13.33 N ATOM 395 CA LEU A 26 8.111 -4.005 4.966 1.00 45.11 C ATOM 396 C LEU A 26 7.115 -2.906 5.263 1.00 71.32 C ATOM 397 O LEU A 26 5.944 -3.171 5.523 1.00 53.31 O ATOM 398 CB LEU A 26 7.935 -4.466 3.517 1.00 64.20 C ATOM 399 CG LEU A 26 9.053 -5.343 2.966 1.00 74.24 C ATOM 400 CD1 LEU A 26 8.654 -5.922 1.621 1.00 1.14 C ATOM 401 CD2 LEU A 26 10.334 -4.538 2.837 1.00 0.55 C ATOM 0 H LEU A 26 7.461 -5.930 5.471 1.00 13.33 H new ATOM 0 HA LEU A 26 9.120 -3.617 5.104 1.00 45.11 H new ATOM 0 HB2 LEU A 26 6.996 -5.014 3.440 1.00 64.20 H new ATOM 0 HB3 LEU A 26 7.842 -3.585 2.883 1.00 64.20 H new ATOM 0 HG LEU A 26 9.227 -6.166 3.659 1.00 74.24 H new ATOM 0 HD11 LEU A 26 9.462 -6.546 1.239 1.00 1.14 H new ATOM 0 HD12 LEU A 26 7.753 -6.525 1.737 1.00 1.14 H new ATOM 0 HD13 LEU A 26 8.460 -5.111 0.919 1.00 1.14 H new ATOM 0 HD21 LEU A 26 11.126 -5.175 2.442 1.00 0.55 H new ATOM 0 HD22 LEU A 26 10.171 -3.700 2.159 1.00 0.55 H new ATOM 0 HD23 LEU A 26 10.627 -4.160 3.817 1.00 0.55 H new ATOM 413 N SER A 27 7.583 -1.677 5.254 1.00 11.05 N ATOM 414 CA SER A 27 6.709 -0.539 5.414 1.00 71.40 C ATOM 415 C SER A 27 7.184 0.622 4.553 1.00 61.41 C ATOM 416 O SER A 27 8.387 0.787 4.323 1.00 42.42 O ATOM 417 CB SER A 27 6.631 -0.142 6.887 1.00 21.42 C ATOM 418 OG SER A 27 6.258 -1.255 7.678 1.00 43.05 O ATOM 0 H SER A 27 8.568 -1.441 5.137 1.00 11.05 H new ATOM 0 HA SER A 27 5.707 -0.810 5.081 1.00 71.40 H new ATOM 0 HB2 SER A 27 7.596 0.241 7.219 1.00 21.42 H new ATOM 0 HB3 SER A 27 5.907 0.663 7.016 1.00 21.42 H new ATOM 0 HG SER A 27 5.979 -1.992 7.095 1.00 43.05 H new ATOM 424 N VAL A 28 6.238 1.408 4.072 1.00 35.04 N ATOM 425 CA VAL A 28 6.538 2.547 3.225 1.00 62.30 C ATOM 426 C VAL A 28 5.499 3.635 3.467 1.00 42.22 C ATOM 427 O VAL A 28 4.307 3.348 3.572 1.00 24.12 O ATOM 428 CB VAL A 28 6.571 2.157 1.724 1.00 61.04 C ATOM 429 CG1 VAL A 28 5.243 1.565 1.275 1.00 41.42 C ATOM 430 CG2 VAL A 28 6.948 3.355 0.861 1.00 42.54 C ATOM 0 H VAL A 28 5.244 1.275 4.257 1.00 35.04 H new ATOM 0 HA VAL A 28 7.531 2.916 3.483 1.00 62.30 H new ATOM 0 HB VAL A 28 7.335 1.390 1.598 1.00 61.04 H new ATOM 0 HG11 VAL A 28 5.300 1.303 0.219 1.00 41.42 H new ATOM 0 HG12 VAL A 28 5.027 0.671 1.860 1.00 41.42 H new ATOM 0 HG13 VAL A 28 4.449 2.297 1.425 1.00 41.42 H new ATOM 0 HG21 VAL A 28 6.965 3.057 -0.187 1.00 42.54 H new ATOM 0 HG22 VAL A 28 6.215 4.149 1.001 1.00 42.54 H new ATOM 0 HG23 VAL A 28 7.935 3.716 1.151 1.00 42.54 H new ATOM 440 N LYS A 29 5.947 4.876 3.567 1.00 62.21 N ATOM 441 CA LYS A 29 5.040 5.970 3.859 1.00 41.42 C ATOM 442 C LYS A 29 4.133 6.263 2.676 1.00 34.44 C ATOM 443 O LYS A 29 4.549 6.177 1.515 1.00 62.54 O ATOM 444 CB LYS A 29 5.799 7.232 4.259 1.00 53.22 C ATOM 445 CG LYS A 29 6.557 7.100 5.567 1.00 63.11 C ATOM 446 CD LYS A 29 6.905 8.462 6.139 1.00 51.03 C ATOM 447 CE LYS A 29 7.713 9.293 5.158 1.00 73.11 C ATOM 448 NZ LYS A 29 7.799 10.717 5.576 1.00 54.31 N ATOM 0 H LYS A 29 6.923 5.148 3.451 1.00 62.21 H new ATOM 0 HA LYS A 29 4.423 5.658 4.702 1.00 41.42 H new ATOM 0 HB2 LYS A 29 6.502 7.489 3.466 1.00 53.22 H new ATOM 0 HB3 LYS A 29 5.094 8.059 4.340 1.00 53.22 H new ATOM 0 HG2 LYS A 29 5.954 6.544 6.285 1.00 63.11 H new ATOM 0 HG3 LYS A 29 7.470 6.526 5.405 1.00 63.11 H new ATOM 0 HD2 LYS A 29 5.989 8.993 6.398 1.00 51.03 H new ATOM 0 HD3 LYS A 29 7.471 8.335 7.062 1.00 51.03 H new ATOM 0 HE2 LYS A 29 8.718 8.879 5.073 1.00 73.11 H new ATOM 0 HE3 LYS A 29 7.258 9.232 4.169 1.00 73.11 H new ATOM 0 HZ1 LYS A 29 8.540 11.196 5.026 1.00 54.31 H new ATOM 0 HZ2 LYS A 29 6.885 11.184 5.407 1.00 54.31 H new ATOM 0 HZ3 LYS A 29 8.032 10.768 6.588 1.00 54.31 H new ATOM 462 N PHE A 30 2.894 6.611 2.989 1.00 34.32 N ATOM 463 CA PHE A 30 1.890 6.916 1.987 1.00 71.21 C ATOM 464 C PHE A 30 2.382 8.028 1.067 1.00 1.21 C ATOM 465 O PHE A 30 2.207 7.954 -0.143 1.00 24.21 O ATOM 466 CB PHE A 30 0.588 7.335 2.680 1.00 41.20 C ATOM 467 CG PHE A 30 -0.633 7.324 1.799 1.00 14.30 C ATOM 468 CD1 PHE A 30 -0.798 8.256 0.788 1.00 30.31 C ATOM 469 CD2 PHE A 30 -1.628 6.382 2.000 1.00 21.11 C ATOM 470 CE1 PHE A 30 -1.928 8.249 -0.005 1.00 64.43 C ATOM 471 CE2 PHE A 30 -2.761 6.372 1.211 1.00 41.31 C ATOM 472 CZ PHE A 30 -2.911 7.305 0.206 1.00 22.02 C ATOM 0 H PHE A 30 2.558 6.689 3.949 1.00 34.32 H new ATOM 0 HA PHE A 30 1.705 6.028 1.383 1.00 71.21 H new ATOM 0 HB2 PHE A 30 0.414 6.670 3.526 1.00 41.20 H new ATOM 0 HB3 PHE A 30 0.716 8.339 3.085 1.00 41.20 H new ATOM 0 HD1 PHE A 30 -0.032 8.998 0.618 1.00 30.31 H new ATOM 0 HD2 PHE A 30 -1.516 5.647 2.783 1.00 21.11 H new ATOM 0 HE1 PHE A 30 -2.042 8.982 -0.790 1.00 64.43 H new ATOM 0 HE2 PHE A 30 -3.530 5.633 1.381 1.00 41.31 H new ATOM 0 HZ PHE A 30 -3.796 7.296 -0.414 1.00 22.02 H new ATOM 482 N GLY A 31 3.020 9.042 1.651 1.00 61.02 N ATOM 483 CA GLY A 31 3.513 10.168 0.874 1.00 21.14 C ATOM 484 C GLY A 31 4.521 9.768 -0.192 1.00 4.04 C ATOM 485 O GLY A 31 4.593 10.398 -1.250 1.00 30.04 O ATOM 0 H GLY A 31 3.204 9.103 2.652 1.00 61.02 H new ATOM 0 HA2 GLY A 31 2.670 10.669 0.398 1.00 21.14 H new ATOM 0 HA3 GLY A 31 3.974 10.891 1.547 1.00 21.14 H new ATOM 489 N VAL A 32 5.294 8.721 0.077 1.00 44.21 N ATOM 490 CA VAL A 32 6.308 8.263 -0.864 1.00 32.15 C ATOM 491 C VAL A 32 5.660 7.538 -2.042 1.00 64.42 C ATOM 492 O VAL A 32 5.918 7.860 -3.203 1.00 25.13 O ATOM 493 CB VAL A 32 7.329 7.320 -0.185 1.00 2.21 C ATOM 494 CG1 VAL A 32 8.401 6.874 -1.168 1.00 54.40 C ATOM 495 CG2 VAL A 32 7.964 7.991 1.022 1.00 2.24 C ATOM 0 H VAL A 32 5.237 8.175 0.937 1.00 44.21 H new ATOM 0 HA VAL A 32 6.836 9.146 -1.224 1.00 32.15 H new ATOM 0 HB VAL A 32 6.790 6.436 0.155 1.00 2.21 H new ATOM 0 HG11 VAL A 32 9.105 6.212 -0.663 1.00 54.40 H new ATOM 0 HG12 VAL A 32 7.935 6.343 -1.998 1.00 54.40 H new ATOM 0 HG13 VAL A 32 8.932 7.747 -1.548 1.00 54.40 H new ATOM 0 HG21 VAL A 32 8.678 7.309 1.483 1.00 2.24 H new ATOM 0 HG22 VAL A 32 8.480 8.897 0.705 1.00 2.24 H new ATOM 0 HG23 VAL A 32 7.190 8.248 1.745 1.00 2.24 H new ATOM 505 N LEU A 33 4.799 6.577 -1.729 1.00 33.11 N ATOM 506 CA LEU A 33 4.110 5.797 -2.752 1.00 70.42 C ATOM 507 C LEU A 33 3.163 6.694 -3.553 1.00 52.12 C ATOM 508 O LEU A 33 3.098 6.603 -4.777 1.00 73.50 O ATOM 509 CB LEU A 33 3.338 4.642 -2.097 1.00 40.15 C ATOM 510 CG LEU A 33 3.238 3.345 -2.913 1.00 51.31 C ATOM 511 CD1 LEU A 33 2.633 2.238 -2.063 1.00 11.33 C ATOM 512 CD2 LEU A 33 2.413 3.551 -4.176 1.00 42.55 C ATOM 0 H LEU A 33 4.560 6.318 -0.772 1.00 33.11 H new ATOM 0 HA LEU A 33 4.847 5.379 -3.438 1.00 70.42 H new ATOM 0 HB2 LEU A 33 3.812 4.411 -1.143 1.00 40.15 H new ATOM 0 HB3 LEU A 33 2.328 4.987 -1.876 1.00 40.15 H new ATOM 0 HG LEU A 33 4.245 3.055 -3.213 1.00 51.31 H new ATOM 0 HD11 LEU A 33 2.567 1.323 -2.651 1.00 11.33 H new ATOM 0 HD12 LEU A 33 3.263 2.064 -1.191 1.00 11.33 H new ATOM 0 HD13 LEU A 33 1.636 2.533 -1.737 1.00 11.33 H new ATOM 0 HD21 LEU A 33 2.360 2.615 -4.733 1.00 42.55 H new ATOM 0 HD22 LEU A 33 1.406 3.869 -3.905 1.00 42.55 H new ATOM 0 HD23 LEU A 33 2.881 4.316 -4.796 1.00 42.55 H new ATOM 524 N PHE A 34 2.460 7.579 -2.849 1.00 22.15 N ATOM 525 CA PHE A 34 1.496 8.489 -3.469 1.00 55.02 C ATOM 526 C PHE A 34 2.161 9.338 -4.550 1.00 12.10 C ATOM 527 O PHE A 34 1.571 9.595 -5.597 1.00 0.11 O ATOM 528 CB PHE A 34 0.886 9.392 -2.392 1.00 24.52 C ATOM 529 CG PHE A 34 -0.216 10.294 -2.872 1.00 64.44 C ATOM 530 CD1 PHE A 34 -1.479 9.789 -3.131 1.00 75.11 C ATOM 531 CD2 PHE A 34 0.006 11.651 -3.040 1.00 4.22 C ATOM 532 CE1 PHE A 34 -2.499 10.616 -3.551 1.00 62.32 C ATOM 533 CE2 PHE A 34 -1.011 12.485 -3.463 1.00 23.22 C ATOM 534 CZ PHE A 34 -2.266 11.967 -3.718 1.00 31.21 C ATOM 0 H PHE A 34 2.541 7.686 -1.838 1.00 22.15 H new ATOM 0 HA PHE A 34 0.711 7.898 -3.941 1.00 55.02 H new ATOM 0 HB2 PHE A 34 0.498 8.765 -1.589 1.00 24.52 H new ATOM 0 HB3 PHE A 34 1.677 10.006 -1.963 1.00 24.52 H new ATOM 0 HD1 PHE A 34 -1.668 8.733 -3.002 1.00 75.11 H new ATOM 0 HD2 PHE A 34 0.984 12.061 -2.838 1.00 4.22 H new ATOM 0 HE1 PHE A 34 -3.479 10.208 -3.749 1.00 62.32 H new ATOM 0 HE2 PHE A 34 -0.825 13.541 -3.594 1.00 23.22 H new ATOM 0 HZ PHE A 34 -3.063 12.617 -4.047 1.00 31.21 H new ATOM 544 N ARG A 35 3.393 9.751 -4.292 1.00 14.23 N ATOM 545 CA ARG A 35 4.146 10.571 -5.232 1.00 44.42 C ATOM 546 C ARG A 35 4.354 9.829 -6.552 1.00 70.33 C ATOM 547 O ARG A 35 4.063 10.359 -7.625 1.00 10.23 O ATOM 548 CB ARG A 35 5.499 10.941 -4.621 1.00 34.23 C ATOM 549 CG ARG A 35 6.379 11.796 -5.517 1.00 12.32 C ATOM 550 CD ARG A 35 7.743 12.003 -4.881 1.00 13.12 C ATOM 551 NE ARG A 35 8.596 12.901 -5.650 1.00 55.45 N ATOM 552 CZ ARG A 35 9.876 13.132 -5.360 1.00 53.23 C ATOM 553 NH1 ARG A 35 10.471 12.457 -4.384 1.00 31.33 N ATOM 554 NH2 ARG A 35 10.567 14.020 -6.059 1.00 74.03 N ATOM 0 H ARG A 35 3.896 9.530 -3.433 1.00 14.23 H new ATOM 0 HA ARG A 35 3.579 11.479 -5.436 1.00 44.42 H new ATOM 0 HB2 ARG A 35 5.328 11.473 -3.685 1.00 34.23 H new ATOM 0 HB3 ARG A 35 6.035 10.025 -4.373 1.00 34.23 H new ATOM 0 HG2 ARG A 35 6.493 11.316 -6.489 1.00 12.32 H new ATOM 0 HG3 ARG A 35 5.902 12.761 -5.692 1.00 12.32 H new ATOM 0 HD2 ARG A 35 7.613 12.405 -3.876 1.00 13.12 H new ATOM 0 HD3 ARG A 35 8.240 11.039 -4.776 1.00 13.12 H new ATOM 0 HE ARG A 35 8.191 13.379 -6.455 1.00 55.45 H new ATOM 0 HH11 ARG A 35 9.948 11.760 -3.854 1.00 31.33 H new ATOM 0 HH12 ARG A 35 11.451 12.636 -4.164 1.00 31.33 H new ATOM 0 HH21 ARG A 35 10.119 14.529 -6.821 1.00 74.03 H new ATOM 0 HH22 ARG A 35 11.547 14.195 -5.835 1.00 74.03 H new ATOM 568 N ASP A 36 4.837 8.595 -6.464 1.00 21.22 N ATOM 569 CA ASP A 36 5.113 7.800 -7.655 1.00 63.44 C ATOM 570 C ASP A 36 3.812 7.402 -8.340 1.00 53.31 C ATOM 571 O ASP A 36 3.696 7.468 -9.566 1.00 14.20 O ATOM 572 CB ASP A 36 5.921 6.551 -7.296 1.00 34.01 C ATOM 573 CG ASP A 36 6.395 5.795 -8.526 1.00 4.25 C ATOM 574 OD1 ASP A 36 7.462 6.155 -9.073 1.00 4.10 O ATOM 575 OD2 ASP A 36 5.713 4.843 -8.951 1.00 65.34 O ATOM 0 H ASP A 36 5.045 8.124 -5.583 1.00 21.22 H new ATOM 0 HA ASP A 36 5.702 8.408 -8.342 1.00 63.44 H new ATOM 0 HB2 ASP A 36 6.784 6.840 -6.695 1.00 34.01 H new ATOM 0 HB3 ASP A 36 5.310 5.891 -6.680 1.00 34.01 H new ATOM 580 N ASP A 37 2.828 7.016 -7.535 1.00 62.00 N ATOM 581 CA ASP A 37 1.521 6.612 -8.046 1.00 44.13 C ATOM 582 C ASP A 37 0.836 7.746 -8.792 1.00 31.33 C ATOM 583 O ASP A 37 0.246 7.533 -9.842 1.00 13.33 O ATOM 584 CB ASP A 37 0.610 6.131 -6.917 1.00 24.44 C ATOM 585 CG ASP A 37 -0.833 6.029 -7.367 1.00 62.01 C ATOM 586 OD1 ASP A 37 -1.147 5.131 -8.175 1.00 60.42 O ATOM 587 OD2 ASP A 37 -1.650 6.872 -6.943 1.00 62.32 O ATOM 0 H ASP A 37 2.911 6.974 -6.519 1.00 62.00 H new ATOM 0 HA ASP A 37 1.697 5.790 -8.740 1.00 44.13 H new ATOM 0 HB2 ASP A 37 0.951 5.158 -6.564 1.00 24.44 H new ATOM 0 HB3 ASP A 37 0.681 6.819 -6.074 1.00 24.44 H new ATOM 592 N LYS A 38 0.919 8.954 -8.260 1.00 5.11 N ATOM 593 CA LYS A 38 0.262 10.093 -8.887 1.00 21.32 C ATOM 594 C LYS A 38 0.938 10.481 -10.196 1.00 62.41 C ATOM 595 O LYS A 38 0.336 11.149 -11.036 1.00 5.41 O ATOM 596 CB LYS A 38 0.211 11.282 -7.927 1.00 74.12 C ATOM 597 CG LYS A 38 -0.868 11.157 -6.856 1.00 50.01 C ATOM 598 CD LYS A 38 -2.276 11.426 -7.399 1.00 3.31 C ATOM 599 CE LYS A 38 -2.785 10.315 -8.313 1.00 2.33 C ATOM 600 NZ LYS A 38 -3.007 9.036 -7.584 1.00 13.23 N ATOM 0 H LYS A 38 1.429 9.172 -7.404 1.00 5.11 H new ATOM 0 HA LYS A 38 -0.760 9.796 -9.123 1.00 21.32 H new ATOM 0 HB2 LYS A 38 1.181 11.389 -7.442 1.00 74.12 H new ATOM 0 HB3 LYS A 38 0.039 12.193 -8.500 1.00 74.12 H new ATOM 0 HG2 LYS A 38 -0.834 10.155 -6.427 1.00 50.01 H new ATOM 0 HG3 LYS A 38 -0.655 11.857 -6.048 1.00 50.01 H new ATOM 0 HD2 LYS A 38 -2.965 11.545 -6.563 1.00 3.31 H new ATOM 0 HD3 LYS A 38 -2.274 12.368 -7.948 1.00 3.31 H new ATOM 0 HE2 LYS A 38 -3.718 10.631 -8.779 1.00 2.33 H new ATOM 0 HE3 LYS A 38 -2.067 10.152 -9.117 1.00 2.33 H new ATOM 0 HZ1 LYS A 38 -3.752 8.489 -8.061 1.00 13.23 H new ATOM 0 HZ2 LYS A 38 -2.125 8.485 -7.574 1.00 13.23 H new ATOM 0 HZ3 LYS A 38 -3.300 9.240 -6.607 1.00 13.23 H new ATOM 614 N SER A 39 2.179 10.056 -10.368 1.00 4.40 N ATOM 615 CA SER A 39 2.894 10.314 -11.603 1.00 5.00 C ATOM 616 C SER A 39 2.626 9.206 -12.624 1.00 14.50 C ATOM 617 O SER A 39 2.312 9.481 -13.781 1.00 61.42 O ATOM 618 CB SER A 39 4.396 10.432 -11.327 1.00 73.25 C ATOM 619 OG SER A 39 5.091 10.915 -12.464 1.00 15.24 O ATOM 0 H SER A 39 2.709 9.533 -9.670 1.00 4.40 H new ATOM 0 HA SER A 39 2.537 11.256 -12.019 1.00 5.00 H new ATOM 0 HB2 SER A 39 4.562 11.103 -10.484 1.00 73.25 H new ATOM 0 HB3 SER A 39 4.793 9.458 -11.042 1.00 73.25 H new ATOM 0 HG SER A 39 6.047 10.982 -12.259 1.00 15.24 H new ATOM 625 N ALA A 40 2.729 7.958 -12.184 1.00 63.31 N ATOM 626 CA ALA A 40 2.638 6.818 -13.088 1.00 2.12 C ATOM 627 C ALA A 40 1.204 6.336 -13.269 1.00 3.33 C ATOM 628 O ALA A 40 0.882 5.698 -14.271 1.00 34.12 O ATOM 629 CB ALA A 40 3.500 5.680 -12.566 1.00 33.01 C ATOM 0 H ALA A 40 2.876 7.709 -11.206 1.00 63.31 H new ATOM 0 HA ALA A 40 2.998 7.145 -14.064 1.00 2.12 H new ATOM 0 HB1 ALA A 40 3.430 4.830 -13.244 1.00 33.01 H new ATOM 0 HB2 ALA A 40 4.537 6.009 -12.503 1.00 33.01 H new ATOM 0 HB3 ALA A 40 3.152 5.385 -11.576 1.00 33.01 H new ATOM 635 N ASN A 41 0.352 6.655 -12.299 1.00 41.34 N ATOM 636 CA ASN A 41 -1.010 6.129 -12.239 1.00 42.14 C ATOM 637 C ASN A 41 -0.987 4.614 -12.150 1.00 44.13 C ATOM 638 O ASN A 41 -1.469 3.908 -13.035 1.00 54.12 O ATOM 639 CB ASN A 41 -1.861 6.590 -13.426 1.00 23.03 C ATOM 640 CG ASN A 41 -2.446 7.971 -13.215 1.00 12.23 C ATOM 641 OD1 ASN A 41 -2.739 8.311 -11.966 1.00 42.23 O flip ATOM 642 ND2 ASN A 41 -2.648 8.724 -14.164 1.00 12.44 N flip ATOM 0 H ASN A 41 0.585 7.285 -11.532 1.00 41.34 H new ATOM 0 HA ASN A 41 -1.475 6.530 -11.339 1.00 42.14 H new ATOM 0 HB2 ASN A 41 -1.250 6.591 -14.329 1.00 23.03 H new ATOM 0 HB3 ASN A 41 -2.669 5.877 -13.589 1.00 23.03 H new ATOM 0 HD21 ASN A 41 -2.410 8.427 -15.110 1.00 12.44 H new ATOM 0 HD22 ASN A 41 -3.054 9.646 -14.006 1.00 12.44 H new ATOM 649 N LEU A 42 -0.400 4.127 -11.071 1.00 44.33 N ATOM 650 CA LEU A 42 -0.288 2.699 -10.835 1.00 30.21 C ATOM 651 C LEU A 42 -1.595 2.167 -10.282 1.00 71.35 C ATOM 652 O LEU A 42 -2.125 1.162 -10.751 1.00 63.43 O ATOM 653 CB LEU A 42 0.844 2.419 -9.848 1.00 44.50 C ATOM 654 CG LEU A 42 2.215 2.939 -10.268 1.00 61.23 C ATOM 655 CD1 LEU A 42 3.237 2.662 -9.178 1.00 75.54 C ATOM 656 CD2 LEU A 42 2.643 2.308 -11.585 1.00 23.23 C ATOM 0 H LEU A 42 0.010 4.706 -10.338 1.00 44.33 H new ATOM 0 HA LEU A 42 -0.067 2.199 -11.778 1.00 30.21 H new ATOM 0 HB2 LEU A 42 0.584 2.862 -8.887 1.00 44.50 H new ATOM 0 HB3 LEU A 42 0.913 1.342 -9.695 1.00 44.50 H new ATOM 0 HG LEU A 42 2.152 4.017 -10.414 1.00 61.23 H new ATOM 0 HD11 LEU A 42 4.212 3.038 -9.489 1.00 75.54 H new ATOM 0 HD12 LEU A 42 2.932 3.161 -8.258 1.00 75.54 H new ATOM 0 HD13 LEU A 42 3.301 1.588 -9.004 1.00 75.54 H new ATOM 0 HD21 LEU A 42 3.623 2.690 -11.870 1.00 23.23 H new ATOM 0 HD22 LEU A 42 2.695 1.225 -11.470 1.00 23.23 H new ATOM 0 HD23 LEU A 42 1.918 2.556 -12.360 1.00 23.23 H new ATOM 668 N PHE A 43 -2.109 2.861 -9.284 1.00 23.42 N ATOM 669 CA PHE A 43 -3.360 2.486 -8.665 1.00 34.40 C ATOM 670 C PHE A 43 -4.393 3.565 -8.930 1.00 4.02 C ATOM 671 O PHE A 43 -4.349 4.640 -8.328 1.00 2.44 O ATOM 672 CB PHE A 43 -3.167 2.289 -7.161 1.00 1.21 C ATOM 673 CG PHE A 43 -1.981 1.430 -6.819 1.00 11.22 C ATOM 674 CD1 PHE A 43 -2.037 0.055 -6.967 1.00 31.54 C ATOM 675 CD2 PHE A 43 -0.807 2.002 -6.354 1.00 23.43 C ATOM 676 CE1 PHE A 43 -0.945 -0.732 -6.660 1.00 55.42 C ATOM 677 CE2 PHE A 43 0.287 1.220 -6.044 1.00 5.35 C ATOM 678 CZ PHE A 43 0.218 -0.150 -6.198 1.00 24.41 C ATOM 0 H PHE A 43 -1.674 3.693 -8.885 1.00 23.42 H new ATOM 0 HA PHE A 43 -3.708 1.545 -9.091 1.00 34.40 H new ATOM 0 HB2 PHE A 43 -3.050 3.263 -6.686 1.00 1.21 H new ATOM 0 HB3 PHE A 43 -4.066 1.837 -6.743 1.00 1.21 H new ATOM 0 HD1 PHE A 43 -2.945 -0.407 -7.326 1.00 31.54 H new ATOM 0 HD2 PHE A 43 -0.748 3.074 -6.233 1.00 23.43 H new ATOM 0 HE1 PHE A 43 -1.001 -1.804 -6.781 1.00 55.42 H new ATOM 0 HE2 PHE A 43 1.195 1.679 -5.682 1.00 5.35 H new ATOM 0 HZ PHE A 43 1.072 -0.765 -5.957 1.00 24.41 H new ATOM 688 N GLU A 44 -5.297 3.288 -9.862 1.00 4.03 N ATOM 689 CA GLU A 44 -6.346 4.231 -10.228 1.00 42.23 C ATOM 690 C GLU A 44 -7.107 4.693 -8.988 1.00 75.10 C ATOM 691 O GLU A 44 -7.379 5.884 -8.813 1.00 71.13 O ATOM 692 CB GLU A 44 -7.295 3.582 -11.232 1.00 2.12 C ATOM 693 CG GLU A 44 -8.406 4.500 -11.710 1.00 21.01 C ATOM 694 CD GLU A 44 -9.264 3.846 -12.764 1.00 34.04 C ATOM 695 OE1 GLU A 44 -10.012 2.905 -12.424 1.00 72.42 O ATOM 696 OE2 GLU A 44 -9.185 4.255 -13.940 1.00 4.00 O ATOM 0 H GLU A 44 -5.324 2.411 -10.382 1.00 4.03 H new ATOM 0 HA GLU A 44 -5.890 5.107 -10.690 1.00 42.23 H new ATOM 0 HB2 GLU A 44 -6.720 3.244 -12.094 1.00 2.12 H new ATOM 0 HB3 GLU A 44 -7.739 2.696 -10.777 1.00 2.12 H new ATOM 0 HG2 GLU A 44 -9.029 4.788 -10.863 1.00 21.01 H new ATOM 0 HG3 GLU A 44 -7.972 5.416 -12.112 1.00 21.01 H new ATOM 703 N ALA A 45 -7.433 3.745 -8.125 1.00 33.32 N ATOM 704 CA ALA A 45 -8.010 4.056 -6.832 1.00 43.23 C ATOM 705 C ALA A 45 -7.111 3.518 -5.730 1.00 5.45 C ATOM 706 O ALA A 45 -7.316 2.409 -5.235 1.00 33.24 O ATOM 707 CB ALA A 45 -9.416 3.488 -6.716 1.00 45.15 C ATOM 0 H ALA A 45 -7.306 2.748 -8.300 1.00 33.32 H new ATOM 0 HA ALA A 45 -8.084 5.138 -6.728 1.00 43.23 H new ATOM 0 HB1 ALA A 45 -9.828 3.734 -5.737 1.00 45.15 H new ATOM 0 HB2 ALA A 45 -10.047 3.917 -7.494 1.00 45.15 H new ATOM 0 HB3 ALA A 45 -9.382 2.405 -6.833 1.00 45.15 H new ATOM 713 N LEU A 46 -6.100 4.306 -5.372 1.00 14.04 N ATOM 714 CA LEU A 46 -5.099 3.898 -4.387 1.00 11.33 C ATOM 715 C LEU A 46 -5.752 3.514 -3.062 1.00 13.32 C ATOM 716 O LEU A 46 -5.384 2.514 -2.445 1.00 41.12 O ATOM 717 CB LEU A 46 -4.081 5.026 -4.176 1.00 74.21 C ATOM 718 CG LEU A 46 -2.974 4.738 -3.154 1.00 5.52 C ATOM 719 CD1 LEU A 46 -2.188 3.495 -3.542 1.00 41.30 C ATOM 720 CD2 LEU A 46 -2.043 5.935 -3.033 1.00 2.31 C ATOM 0 H LEU A 46 -5.951 5.240 -5.753 1.00 14.04 H new ATOM 0 HA LEU A 46 -4.582 3.018 -4.770 1.00 11.33 H new ATOM 0 HB2 LEU A 46 -3.615 5.254 -5.135 1.00 74.21 H new ATOM 0 HB3 LEU A 46 -4.618 5.921 -3.861 1.00 74.21 H new ATOM 0 HG LEU A 46 -3.442 4.557 -2.186 1.00 5.52 H new ATOM 0 HD11 LEU A 46 -1.409 3.312 -2.802 1.00 41.30 H new ATOM 0 HD12 LEU A 46 -2.860 2.637 -3.582 1.00 41.30 H new ATOM 0 HD13 LEU A 46 -1.731 3.644 -4.520 1.00 41.30 H new ATOM 0 HD21 LEU A 46 -1.262 5.717 -2.304 1.00 2.31 H new ATOM 0 HD22 LEU A 46 -1.588 6.141 -4.002 1.00 2.31 H new ATOM 0 HD23 LEU A 46 -2.611 6.806 -2.706 1.00 2.31 H new ATOM 732 N VAL A 47 -6.738 4.299 -2.644 1.00 52.41 N ATOM 733 CA VAL A 47 -7.450 4.023 -1.405 1.00 72.42 C ATOM 734 C VAL A 47 -8.150 2.664 -1.474 1.00 50.34 C ATOM 735 O VAL A 47 -8.116 1.897 -0.518 1.00 41.11 O ATOM 736 CB VAL A 47 -8.471 5.140 -1.064 1.00 43.22 C ATOM 737 CG1 VAL A 47 -9.480 5.335 -2.190 1.00 45.34 C ATOM 738 CG2 VAL A 47 -9.182 4.841 0.251 1.00 22.35 C ATOM 0 H VAL A 47 -7.061 5.128 -3.143 1.00 52.41 H new ATOM 0 HA VAL A 47 -6.710 3.997 -0.605 1.00 72.42 H new ATOM 0 HB VAL A 47 -7.916 6.071 -0.951 1.00 43.22 H new ATOM 0 HG11 VAL A 47 -10.180 6.125 -1.918 1.00 45.34 H new ATOM 0 HG12 VAL A 47 -8.956 5.614 -3.104 1.00 45.34 H new ATOM 0 HG13 VAL A 47 -10.026 4.406 -2.354 1.00 45.34 H new ATOM 0 HG21 VAL A 47 -9.893 5.638 0.470 1.00 22.35 H new ATOM 0 HG22 VAL A 47 -9.713 3.893 0.170 1.00 22.35 H new ATOM 0 HG23 VAL A 47 -8.449 4.778 1.055 1.00 22.35 H new ATOM 748 N GLY A 48 -8.738 2.355 -2.629 1.00 72.22 N ATOM 749 CA GLY A 48 -9.454 1.102 -2.790 1.00 23.32 C ATOM 750 C GLY A 48 -8.534 -0.099 -2.714 1.00 71.52 C ATOM 751 O GLY A 48 -8.856 -1.098 -2.070 1.00 63.40 O ATOM 0 H GLY A 48 -8.730 2.952 -3.456 1.00 72.22 H new ATOM 0 HA2 GLY A 48 -10.218 1.021 -2.017 1.00 23.32 H new ATOM 0 HA3 GLY A 48 -9.970 1.102 -3.750 1.00 23.32 H new ATOM 755 N THR A 49 -7.381 0.004 -3.366 1.00 72.55 N ATOM 756 CA THR A 49 -6.384 -1.055 -3.334 1.00 23.44 C ATOM 757 C THR A 49 -5.901 -1.293 -1.902 1.00 72.12 C ATOM 758 O THR A 49 -5.710 -2.437 -1.476 1.00 24.34 O ATOM 759 CB THR A 49 -5.186 -0.694 -4.235 1.00 32.13 C ATOM 760 OG1 THR A 49 -5.664 -0.207 -5.497 1.00 42.45 O ATOM 761 CG2 THR A 49 -4.288 -1.903 -4.464 1.00 54.02 C ATOM 0 H THR A 49 -7.115 0.815 -3.925 1.00 72.55 H new ATOM 0 HA THR A 49 -6.846 -1.969 -3.708 1.00 23.44 H new ATOM 0 HB THR A 49 -4.602 0.078 -3.735 1.00 32.13 H new ATOM 0 HG1 THR A 49 -4.914 -0.127 -6.122 1.00 42.45 H new ATOM 0 HG21 THR A 49 -3.452 -1.619 -5.103 1.00 54.02 H new ATOM 0 HG22 THR A 49 -3.909 -2.261 -3.507 1.00 54.02 H new ATOM 0 HG23 THR A 49 -4.860 -2.695 -4.947 1.00 54.02 H new ATOM 769 N LEU A 50 -5.730 -0.204 -1.155 1.00 4.14 N ATOM 770 CA LEU A 50 -5.315 -0.286 0.240 1.00 23.44 C ATOM 771 C LEU A 50 -6.409 -0.910 1.094 1.00 70.33 C ATOM 772 O LEU A 50 -6.133 -1.745 1.950 1.00 12.21 O ATOM 773 CB LEU A 50 -4.965 1.100 0.781 1.00 15.33 C ATOM 774 CG LEU A 50 -3.723 1.745 0.167 1.00 12.13 C ATOM 775 CD1 LEU A 50 -3.546 3.157 0.692 1.00 43.02 C ATOM 776 CD2 LEU A 50 -2.486 0.911 0.468 1.00 32.13 C ATOM 0 H LEU A 50 -5.873 0.747 -1.495 1.00 4.14 H new ATOM 0 HA LEU A 50 -4.429 -0.919 0.288 1.00 23.44 H new ATOM 0 HB2 LEU A 50 -5.816 1.761 0.618 1.00 15.33 H new ATOM 0 HB3 LEU A 50 -4.821 1.026 1.859 1.00 15.33 H new ATOM 0 HG LEU A 50 -3.856 1.790 -0.914 1.00 12.13 H new ATOM 0 HD11 LEU A 50 -2.657 3.603 0.245 1.00 43.02 H new ATOM 0 HD12 LEU A 50 -4.420 3.754 0.433 1.00 43.02 H new ATOM 0 HD13 LEU A 50 -3.433 3.131 1.776 1.00 43.02 H new ATOM 0 HD21 LEU A 50 -1.611 1.385 0.023 1.00 32.13 H new ATOM 0 HD22 LEU A 50 -2.350 0.838 1.547 1.00 32.13 H new ATOM 0 HD23 LEU A 50 -2.610 -0.088 0.049 1.00 32.13 H new ATOM 788 N LYS A 51 -7.649 -0.498 0.856 1.00 13.21 N ATOM 789 CA LYS A 51 -8.795 -1.038 1.582 1.00 44.02 C ATOM 790 C LYS A 51 -8.884 -2.547 1.405 1.00 1.12 C ATOM 791 O LYS A 51 -9.083 -3.287 2.372 1.00 21.54 O ATOM 792 CB LYS A 51 -10.092 -0.382 1.104 1.00 54.01 C ATOM 793 CG LYS A 51 -10.194 1.095 1.449 1.00 14.42 C ATOM 794 CD LYS A 51 -10.191 1.315 2.951 1.00 43.43 C ATOM 795 CE LYS A 51 -11.442 0.744 3.598 1.00 33.31 C ATOM 796 NZ LYS A 51 -12.660 1.514 3.234 1.00 73.43 N ATOM 0 H LYS A 51 -7.888 0.211 0.163 1.00 13.21 H new ATOM 0 HA LYS A 51 -8.656 -0.817 2.640 1.00 44.02 H new ATOM 0 HB2 LYS A 51 -10.171 -0.500 0.023 1.00 54.01 H new ATOM 0 HB3 LYS A 51 -10.939 -0.908 1.545 1.00 54.01 H new ATOM 0 HG2 LYS A 51 -9.360 1.634 0.999 1.00 14.42 H new ATOM 0 HG3 LYS A 51 -11.108 1.508 1.021 1.00 14.42 H new ATOM 0 HD2 LYS A 51 -9.308 0.847 3.387 1.00 43.43 H new ATOM 0 HD3 LYS A 51 -10.124 2.382 3.164 1.00 43.43 H new ATOM 0 HE2 LYS A 51 -11.566 -0.295 3.293 1.00 33.31 H new ATOM 0 HE3 LYS A 51 -11.323 0.746 4.681 1.00 33.31 H new ATOM 0 HZ1 LYS A 51 -13.454 1.213 3.835 1.00 73.43 H new ATOM 0 HZ2 LYS A 51 -12.484 2.529 3.376 1.00 73.43 H new ATOM 0 HZ3 LYS A 51 -12.896 1.340 2.236 1.00 73.43 H new ATOM 810 N ALA A 52 -8.725 -2.992 0.164 1.00 43.40 N ATOM 811 CA ALA A 52 -8.749 -4.410 -0.156 1.00 62.42 C ATOM 812 C ALA A 52 -7.680 -5.158 0.623 1.00 22.12 C ATOM 813 O ALA A 52 -7.966 -6.143 1.300 1.00 74.43 O ATOM 814 CB ALA A 52 -8.537 -4.619 -1.645 1.00 70.13 C ATOM 0 H ALA A 52 -8.577 -2.384 -0.641 1.00 43.40 H new ATOM 0 HA ALA A 52 -9.726 -4.803 0.126 1.00 62.42 H new ATOM 0 HB1 ALA A 52 -8.557 -5.685 -1.869 1.00 70.13 H new ATOM 0 HB2 ALA A 52 -9.329 -4.116 -2.199 1.00 70.13 H new ATOM 0 HB3 ALA A 52 -7.572 -4.205 -1.937 1.00 70.13 H new ATOM 820 N ALA A 53 -6.451 -4.673 0.537 1.00 2.31 N ATOM 821 CA ALA A 53 -5.321 -5.333 1.172 1.00 1.51 C ATOM 822 C ALA A 53 -5.408 -5.253 2.693 1.00 25.23 C ATOM 823 O ALA A 53 -5.040 -6.194 3.385 1.00 30.41 O ATOM 824 CB ALA A 53 -4.016 -4.733 0.680 1.00 31.15 C ATOM 0 H ALA A 53 -6.210 -3.821 0.031 1.00 2.31 H new ATOM 0 HA ALA A 53 -5.351 -6.387 0.896 1.00 1.51 H new ATOM 0 HB1 ALA A 53 -3.179 -5.237 1.164 1.00 31.15 H new ATOM 0 HB2 ALA A 53 -3.941 -4.860 -0.400 1.00 31.15 H new ATOM 0 HB3 ALA A 53 -3.990 -3.671 0.923 1.00 31.15 H new ATOM 830 N LYS A 54 -5.900 -4.132 3.206 1.00 11.11 N ATOM 831 CA LYS A 54 -6.040 -3.945 4.647 1.00 43.10 C ATOM 832 C LYS A 54 -7.034 -4.950 5.223 1.00 65.32 C ATOM 833 O LYS A 54 -6.766 -5.596 6.235 1.00 31.24 O ATOM 834 CB LYS A 54 -6.488 -2.512 4.966 1.00 75.51 C ATOM 835 CG LYS A 54 -6.720 -2.252 6.448 1.00 33.12 C ATOM 836 CD LYS A 54 -7.208 -0.832 6.693 1.00 10.31 C ATOM 837 CE LYS A 54 -7.641 -0.630 8.137 1.00 73.11 C ATOM 838 NZ LYS A 54 -8.229 0.719 8.361 1.00 0.52 N ATOM 0 H LYS A 54 -6.209 -3.337 2.646 1.00 11.11 H new ATOM 0 HA LYS A 54 -5.067 -4.114 5.109 1.00 43.10 H new ATOM 0 HB2 LYS A 54 -5.734 -1.816 4.599 1.00 75.51 H new ATOM 0 HB3 LYS A 54 -7.408 -2.300 4.422 1.00 75.51 H new ATOM 0 HG2 LYS A 54 -7.452 -2.962 6.833 1.00 33.12 H new ATOM 0 HG3 LYS A 54 -5.794 -2.420 6.998 1.00 33.12 H new ATOM 0 HD2 LYS A 54 -6.414 -0.127 6.449 1.00 10.31 H new ATOM 0 HD3 LYS A 54 -8.044 -0.614 6.028 1.00 10.31 H new ATOM 0 HE2 LYS A 54 -8.372 -1.393 8.406 1.00 73.11 H new ATOM 0 HE3 LYS A 54 -6.782 -0.765 8.795 1.00 73.11 H new ATOM 0 HZ1 LYS A 54 -8.244 0.926 9.380 1.00 0.52 H new ATOM 0 HZ2 LYS A 54 -7.654 1.434 7.871 1.00 0.52 H new ATOM 0 HZ3 LYS A 54 -9.200 0.741 7.989 1.00 0.52 H new ATOM 852 N ARG A 55 -8.176 -5.092 4.561 1.00 50.32 N ATOM 853 CA ARG A 55 -9.210 -6.005 5.026 1.00 72.34 C ATOM 854 C ARG A 55 -8.884 -7.453 4.679 1.00 31.03 C ATOM 855 O ARG A 55 -9.428 -8.382 5.279 1.00 64.24 O ATOM 856 CB ARG A 55 -10.578 -5.596 4.483 1.00 14.51 C ATOM 857 CG ARG A 55 -11.212 -4.493 5.312 1.00 74.30 C ATOM 858 CD ARG A 55 -12.639 -4.198 4.891 1.00 71.32 C ATOM 859 NE ARG A 55 -13.445 -3.773 6.037 1.00 71.02 N ATOM 860 CZ ARG A 55 -14.106 -2.618 6.119 1.00 33.43 C ATOM 861 NH1 ARG A 55 -14.078 -1.748 5.115 1.00 74.24 N ATOM 862 NH2 ARG A 55 -14.807 -2.343 7.213 1.00 34.21 N ATOM 0 H ARG A 55 -8.408 -4.589 3.705 1.00 50.32 H new ATOM 0 HA ARG A 55 -9.245 -5.939 6.113 1.00 72.34 H new ATOM 0 HB2 ARG A 55 -10.473 -5.260 3.452 1.00 14.51 H new ATOM 0 HB3 ARG A 55 -11.237 -6.464 4.470 1.00 14.51 H new ATOM 0 HG2 ARG A 55 -11.199 -4.780 6.364 1.00 74.30 H new ATOM 0 HG3 ARG A 55 -10.615 -3.586 5.221 1.00 74.30 H new ATOM 0 HD2 ARG A 55 -12.644 -3.419 4.129 1.00 71.32 H new ATOM 0 HD3 ARG A 55 -13.081 -5.087 4.440 1.00 71.32 H new ATOM 0 HE ARG A 55 -13.505 -4.408 6.833 1.00 71.02 H new ATOM 0 HH11 ARG A 55 -13.547 -1.961 4.270 1.00 74.24 H new ATOM 0 HH12 ARG A 55 -14.588 -0.867 5.189 1.00 74.24 H new ATOM 0 HH21 ARG A 55 -14.837 -3.013 7.982 1.00 34.21 H new ATOM 0 HH22 ARG A 55 -15.316 -1.462 7.285 1.00 34.21 H new ATOM 876 N ARG A 56 -7.992 -7.643 3.716 1.00 2.10 N ATOM 877 CA ARG A 56 -7.472 -8.954 3.390 1.00 70.14 C ATOM 878 C ARG A 56 -6.294 -9.277 4.316 1.00 62.00 C ATOM 879 O ARG A 56 -5.679 -10.339 4.222 1.00 1.21 O ATOM 880 CB ARG A 56 -7.045 -8.957 1.925 1.00 35.11 C ATOM 881 CG ARG A 56 -7.050 -10.322 1.282 1.00 62.41 C ATOM 882 CD ARG A 56 -6.817 -10.213 -0.217 1.00 13.43 C ATOM 883 NE ARG A 56 -6.803 -11.508 -0.898 1.00 14.02 N ATOM 884 CZ ARG A 56 -7.196 -11.684 -2.164 1.00 2.53 C ATOM 885 NH1 ARG A 56 -7.712 -10.671 -2.849 1.00 72.41 N ATOM 886 NH2 ARG A 56 -7.090 -12.873 -2.743 1.00 21.10 N ATOM 0 H ARG A 56 -7.612 -6.890 3.142 1.00 2.10 H new ATOM 0 HA ARG A 56 -8.234 -9.720 3.535 1.00 70.14 H new ATOM 0 HB2 ARG A 56 -7.710 -8.301 1.363 1.00 35.11 H new ATOM 0 HB3 ARG A 56 -6.042 -8.536 1.850 1.00 35.11 H new ATOM 0 HG2 ARG A 56 -6.275 -10.943 1.731 1.00 62.41 H new ATOM 0 HG3 ARG A 56 -8.004 -10.815 1.472 1.00 62.41 H new ATOM 0 HD2 ARG A 56 -7.597 -9.589 -0.654 1.00 13.43 H new ATOM 0 HD3 ARG A 56 -5.868 -9.707 -0.394 1.00 13.43 H new ATOM 0 HE ARG A 56 -6.475 -12.322 -0.378 1.00 14.02 H new ATOM 0 HH11 ARG A 56 -7.810 -9.756 -2.410 1.00 72.41 H new ATOM 0 HH12 ARG A 56 -8.011 -10.808 -3.815 1.00 72.41 H new ATOM 0 HH21 ARG A 56 -6.706 -13.662 -2.222 1.00 21.10 H new ATOM 0 HH22 ARG A 56 -7.392 -12.999 -3.709 1.00 21.10 H new ATOM 900 N LYS A 57 -5.998 -8.318 5.200 1.00 42.15 N ATOM 901 CA LYS A 57 -4.964 -8.445 6.231 1.00 70.53 C ATOM 902 C LYS A 57 -3.576 -8.602 5.625 1.00 43.32 C ATOM 903 O LYS A 57 -2.675 -9.179 6.231 1.00 72.44 O ATOM 904 CB LYS A 57 -5.280 -9.601 7.182 1.00 72.51 C ATOM 905 CG LYS A 57 -6.619 -9.447 7.890 1.00 23.34 C ATOM 906 CD LYS A 57 -6.758 -8.087 8.567 1.00 21.23 C ATOM 907 CE LYS A 57 -5.690 -7.863 9.628 1.00 15.32 C ATOM 908 NZ LYS A 57 -5.854 -6.555 10.321 1.00 50.43 N ATOM 0 H LYS A 57 -6.478 -7.418 5.219 1.00 42.15 H new ATOM 0 HA LYS A 57 -4.963 -7.519 6.806 1.00 70.53 H new ATOM 0 HB2 LYS A 57 -5.279 -10.535 6.621 1.00 72.51 H new ATOM 0 HB3 LYS A 57 -4.489 -9.676 7.928 1.00 72.51 H new ATOM 0 HG2 LYS A 57 -7.426 -9.577 7.169 1.00 23.34 H new ATOM 0 HG3 LYS A 57 -6.727 -10.235 8.635 1.00 23.34 H new ATOM 0 HD2 LYS A 57 -6.692 -7.300 7.816 1.00 21.23 H new ATOM 0 HD3 LYS A 57 -7.744 -8.009 9.024 1.00 21.23 H new ATOM 0 HE2 LYS A 57 -5.733 -8.669 10.361 1.00 15.32 H new ATOM 0 HE3 LYS A 57 -4.704 -7.906 9.164 1.00 15.32 H new ATOM 0 HZ1 LYS A 57 -5.106 -6.444 11.035 1.00 50.43 H new ATOM 0 HZ2 LYS A 57 -5.787 -5.784 9.627 1.00 50.43 H new ATOM 0 HZ3 LYS A 57 -6.784 -6.523 10.786 1.00 50.43 H new ATOM 922 N ILE A 58 -3.414 -8.048 4.439 1.00 23.11 N ATOM 923 CA ILE A 58 -2.137 -8.046 3.755 1.00 74.30 C ATOM 924 C ILE A 58 -1.310 -6.852 4.206 1.00 71.54 C ATOM 925 O ILE A 58 -0.112 -6.969 4.446 1.00 74.42 O ATOM 926 CB ILE A 58 -2.336 -8.013 2.228 1.00 22.24 C ATOM 927 CG1 ILE A 58 -3.134 -9.240 1.785 1.00 12.45 C ATOM 928 CG2 ILE A 58 -0.996 -7.960 1.509 1.00 14.45 C ATOM 929 CD1 ILE A 58 -3.540 -9.204 0.333 1.00 21.52 C ATOM 0 H ILE A 58 -4.164 -7.587 3.923 1.00 23.11 H new ATOM 0 HA ILE A 58 -1.605 -8.963 4.009 1.00 74.30 H new ATOM 0 HB ILE A 58 -2.893 -7.113 1.967 1.00 22.24 H new ATOM 0 HG12 ILE A 58 -2.538 -10.135 1.965 1.00 12.45 H new ATOM 0 HG13 ILE A 58 -4.029 -9.323 2.402 1.00 12.45 H new ATOM 0 HG21 ILE A 58 -1.162 -7.937 0.432 1.00 14.45 H new ATOM 0 HG22 ILE A 58 -0.456 -7.063 1.812 1.00 14.45 H new ATOM 0 HG23 ILE A 58 -0.409 -8.842 1.767 1.00 14.45 H new ATOM 0 HD11 ILE A 58 -4.102 -10.106 0.090 1.00 21.52 H new ATOM 0 HD12 ILE A 58 -4.163 -8.328 0.151 1.00 21.52 H new ATOM 0 HD13 ILE A 58 -2.649 -9.152 -0.293 1.00 21.52 H new ATOM 941 N VAL A 59 -1.964 -5.711 4.350 1.00 63.30 N ATOM 942 CA VAL A 59 -1.298 -4.503 4.810 1.00 34.01 C ATOM 943 C VAL A 59 -2.103 -3.853 5.921 1.00 62.24 C ATOM 944 O VAL A 59 -3.257 -4.214 6.161 1.00 40.33 O ATOM 945 CB VAL A 59 -1.103 -3.470 3.675 1.00 24.31 C ATOM 946 CG1 VAL A 59 -0.288 -4.056 2.530 1.00 11.11 C ATOM 947 CG2 VAL A 59 -2.447 -2.964 3.178 1.00 35.33 C ATOM 0 H VAL A 59 -2.958 -5.596 4.154 1.00 63.30 H new ATOM 0 HA VAL A 59 -0.315 -4.805 5.173 1.00 34.01 H new ATOM 0 HB VAL A 59 -0.545 -2.626 4.080 1.00 24.31 H new ATOM 0 HG11 VAL A 59 -0.168 -3.306 1.748 1.00 11.11 H new ATOM 0 HG12 VAL A 59 0.693 -4.357 2.898 1.00 11.11 H new ATOM 0 HG13 VAL A 59 -0.805 -4.925 2.123 1.00 11.11 H new ATOM 0 HG21 VAL A 59 -2.290 -2.238 2.380 1.00 35.33 H new ATOM 0 HG22 VAL A 59 -3.033 -3.801 2.798 1.00 35.33 H new ATOM 0 HG23 VAL A 59 -2.984 -2.489 4.000 1.00 35.33 H new ATOM 957 N THR A 60 -1.491 -2.905 6.597 1.00 13.20 N ATOM 958 CA THR A 60 -2.174 -2.121 7.600 1.00 4.42 C ATOM 959 C THR A 60 -1.552 -0.734 7.664 1.00 70.05 C ATOM 960 O THR A 60 -0.381 -0.551 7.318 1.00 2.53 O ATOM 961 CB THR A 60 -2.111 -2.790 8.990 1.00 42.00 C ATOM 962 OG1 THR A 60 -3.010 -2.138 9.893 1.00 70.35 O ATOM 963 CG2 THR A 60 -0.697 -2.743 9.559 1.00 15.23 C ATOM 0 H THR A 60 -0.510 -2.658 6.467 1.00 13.20 H new ATOM 0 HA THR A 60 -3.224 -2.048 7.318 1.00 4.42 H new ATOM 0 HB THR A 60 -2.404 -3.833 8.872 1.00 42.00 H new ATOM 0 HG1 THR A 60 -2.963 -2.571 10.771 1.00 70.35 H new ATOM 0 HG21 THR A 60 -0.683 -3.221 10.538 1.00 15.23 H new ATOM 0 HG22 THR A 60 -0.017 -3.269 8.888 1.00 15.23 H new ATOM 0 HG23 THR A 60 -0.379 -1.705 9.657 1.00 15.23 H new ATOM 971 N TYR A 61 -2.345 0.237 8.070 1.00 2.42 N ATOM 972 CA TYR A 61 -1.872 1.599 8.221 1.00 10.21 C ATOM 973 C TYR A 61 -2.777 2.352 9.184 1.00 1.22 C ATOM 974 O TYR A 61 -3.963 2.031 9.301 1.00 1.30 O ATOM 975 CB TYR A 61 -1.811 2.307 6.860 1.00 43.34 C ATOM 976 CG TYR A 61 -3.149 2.451 6.162 1.00 64.12 C ATOM 977 CD1 TYR A 61 -3.803 1.353 5.612 1.00 34.13 C ATOM 978 CD2 TYR A 61 -3.754 3.696 6.048 1.00 23.35 C ATOM 979 CE1 TYR A 61 -5.023 1.492 4.978 1.00 52.21 C ATOM 980 CE2 TYR A 61 -4.973 3.844 5.415 1.00 61.12 C ATOM 981 CZ TYR A 61 -5.603 2.740 4.882 1.00 20.41 C ATOM 982 OH TYR A 61 -6.821 2.880 4.258 1.00 24.40 O ATOM 0 H TYR A 61 -3.329 0.106 8.303 1.00 2.42 H new ATOM 0 HA TYR A 61 -0.862 1.580 8.631 1.00 10.21 H new ATOM 0 HB2 TYR A 61 -1.381 3.299 7.000 1.00 43.34 H new ATOM 0 HB3 TYR A 61 -1.134 1.755 6.208 1.00 43.34 H new ATOM 0 HD1 TYR A 61 -3.349 0.375 5.682 1.00 34.13 H new ATOM 0 HD2 TYR A 61 -3.263 4.564 6.462 1.00 23.35 H new ATOM 0 HE1 TYR A 61 -5.519 0.629 4.560 1.00 52.21 H new ATOM 0 HE2 TYR A 61 -5.430 4.820 5.338 1.00 61.12 H new ATOM 0 HH TYR A 61 -7.091 3.822 4.276 1.00 24.40 H new ATOM 992 N PRO A 62 -2.226 3.343 9.904 1.00 63.31 N ATOM 993 CA PRO A 62 -2.995 4.134 10.866 1.00 11.44 C ATOM 994 C PRO A 62 -4.120 4.912 10.193 1.00 25.43 C ATOM 995 O PRO A 62 -3.942 5.479 9.112 1.00 41.13 O ATOM 996 CB PRO A 62 -1.959 5.090 11.474 1.00 54.41 C ATOM 997 CG PRO A 62 -0.819 5.106 10.512 1.00 22.03 C ATOM 998 CD PRO A 62 -0.819 3.764 9.835 1.00 50.44 C ATOM 0 HA PRO A 62 -3.485 3.506 11.610 1.00 11.44 H new ATOM 0 HB2 PRO A 62 -2.376 6.089 11.605 1.00 54.41 H new ATOM 0 HB3 PRO A 62 -1.638 4.747 12.457 1.00 54.41 H new ATOM 0 HG2 PRO A 62 -0.936 5.909 9.784 1.00 22.03 H new ATOM 0 HG3 PRO A 62 0.124 5.280 11.030 1.00 22.03 H new ATOM 0 HD2 PRO A 62 -0.472 3.835 8.804 1.00 50.44 H new ATOM 0 HD3 PRO A 62 -0.164 3.058 10.345 1.00 50.44 H new ATOM 1006 N GLY A 63 -5.269 4.949 10.854 1.00 72.42 N ATOM 1007 CA GLY A 63 -6.439 5.578 10.280 1.00 32.42 C ATOM 1008 C GLY A 63 -6.961 4.826 9.071 1.00 60.05 C ATOM 1009 O GLY A 63 -6.767 3.610 8.950 1.00 14.24 O ATOM 0 H GLY A 63 -5.411 4.552 11.783 1.00 72.42 H new ATOM 0 HA2 GLY A 63 -7.223 5.638 11.034 1.00 32.42 H new ATOM 0 HA3 GLY A 63 -6.195 6.600 9.992 1.00 32.42 H new ATOM 1013 N GLU A 64 -7.633 5.548 8.187 1.00 13.53 N ATOM 1014 CA GLU A 64 -8.164 4.972 6.962 1.00 34.15 C ATOM 1015 C GLU A 64 -8.539 6.083 5.983 1.00 62.13 C ATOM 1016 O GLU A 64 -8.273 5.996 4.784 1.00 65.13 O ATOM 1017 CB GLU A 64 -9.378 4.095 7.274 1.00 2.14 C ATOM 1018 CG GLU A 64 -9.878 3.299 6.085 1.00 25.32 C ATOM 1019 CD GLU A 64 -10.856 2.220 6.488 1.00 31.25 C ATOM 1020 OE1 GLU A 64 -10.402 1.131 6.891 1.00 43.02 O ATOM 1021 OE2 GLU A 64 -12.080 2.454 6.392 1.00 2.31 O ATOM 0 H GLU A 64 -7.825 6.544 8.298 1.00 13.53 H new ATOM 0 HA GLU A 64 -7.399 4.347 6.501 1.00 34.15 H new ATOM 0 HB2 GLU A 64 -9.120 3.406 8.078 1.00 2.14 H new ATOM 0 HB3 GLU A 64 -10.186 4.727 7.642 1.00 2.14 H new ATOM 0 HG2 GLU A 64 -10.356 3.973 5.375 1.00 25.32 H new ATOM 0 HG3 GLU A 64 -9.030 2.845 5.572 1.00 25.32 H new ATOM 1028 N LEU A 65 -9.148 7.136 6.513 1.00 23.43 N ATOM 1029 CA LEU A 65 -9.509 8.298 5.716 1.00 64.34 C ATOM 1030 C LEU A 65 -8.398 9.335 5.801 1.00 22.33 C ATOM 1031 O LEU A 65 -8.327 10.114 6.754 1.00 32.55 O ATOM 1032 CB LEU A 65 -10.831 8.895 6.211 1.00 65.23 C ATOM 1033 CG LEU A 65 -12.017 7.925 6.236 1.00 22.32 C ATOM 1034 CD1 LEU A 65 -13.240 8.601 6.831 1.00 1.32 C ATOM 1035 CD2 LEU A 65 -12.319 7.410 4.836 1.00 62.21 C ATOM 0 H LEU A 65 -9.403 7.208 7.498 1.00 23.43 H new ATOM 0 HA LEU A 65 -9.638 7.993 4.678 1.00 64.34 H new ATOM 0 HB2 LEU A 65 -10.680 9.285 7.218 1.00 65.23 H new ATOM 0 HB3 LEU A 65 -11.089 9.742 5.576 1.00 65.23 H new ATOM 0 HG LEU A 65 -11.753 7.073 6.863 1.00 22.32 H new ATOM 0 HD11 LEU A 65 -14.074 7.900 6.842 1.00 1.32 H new ATOM 0 HD12 LEU A 65 -13.020 8.919 7.850 1.00 1.32 H new ATOM 0 HD13 LEU A 65 -13.505 9.470 6.229 1.00 1.32 H new ATOM 0 HD21 LEU A 65 -13.164 6.723 4.876 1.00 62.21 H new ATOM 0 HD22 LEU A 65 -12.564 8.249 4.185 1.00 62.21 H new ATOM 0 HD23 LEU A 65 -11.446 6.889 4.444 1.00 62.21 H new ATOM 1047 N LEU A 66 -7.516 9.322 4.816 1.00 12.24 N ATOM 1048 CA LEU A 66 -6.338 10.172 4.836 1.00 42.34 C ATOM 1049 C LEU A 66 -6.474 11.328 3.855 1.00 73.32 C ATOM 1050 O LEU A 66 -6.747 11.124 2.672 1.00 63.41 O ATOM 1051 CB LEU A 66 -5.099 9.346 4.497 1.00 72.10 C ATOM 1052 CG LEU A 66 -4.834 8.165 5.431 1.00 62.44 C ATOM 1053 CD1 LEU A 66 -3.645 7.359 4.939 1.00 54.41 C ATOM 1054 CD2 LEU A 66 -4.599 8.655 6.854 1.00 5.01 C ATOM 0 H LEU A 66 -7.594 8.730 3.989 1.00 12.24 H new ATOM 0 HA LEU A 66 -6.237 10.589 5.838 1.00 42.34 H new ATOM 0 HB2 LEU A 66 -5.199 8.969 3.479 1.00 72.10 H new ATOM 0 HB3 LEU A 66 -4.229 10.002 4.510 1.00 72.10 H new ATOM 0 HG LEU A 66 -5.711 7.518 5.432 1.00 62.44 H new ATOM 0 HD11 LEU A 66 -3.469 6.522 5.614 1.00 54.41 H new ATOM 0 HD12 LEU A 66 -3.851 6.981 3.938 1.00 54.41 H new ATOM 0 HD13 LEU A 66 -2.760 7.995 4.911 1.00 54.41 H new ATOM 0 HD21 LEU A 66 -4.412 7.802 7.506 1.00 5.01 H new ATOM 0 HD22 LEU A 66 -3.737 9.321 6.872 1.00 5.01 H new ATOM 0 HD23 LEU A 66 -5.480 9.193 7.204 1.00 5.01 H new ATOM 1066 N LEU A 67 -6.276 12.539 4.356 1.00 12.54 N ATOM 1067 CA LEU A 67 -6.314 13.732 3.521 1.00 51.42 C ATOM 1068 C LEU A 67 -4.965 13.911 2.814 1.00 61.11 C ATOM 1069 O LEU A 67 -4.103 13.034 2.892 1.00 12.50 O ATOM 1070 CB LEU A 67 -6.664 14.959 4.374 1.00 14.32 C ATOM 1071 CG LEU A 67 -7.175 16.180 3.601 1.00 52.44 C ATOM 1072 CD1 LEU A 67 -8.431 15.831 2.816 1.00 11.13 C ATOM 1073 CD2 LEU A 67 -7.446 17.335 4.552 1.00 74.34 C ATOM 0 H LEU A 67 -6.086 12.722 5.341 1.00 12.54 H new ATOM 0 HA LEU A 67 -7.086 13.621 2.760 1.00 51.42 H new ATOM 0 HB2 LEU A 67 -7.422 14.669 5.102 1.00 14.32 H new ATOM 0 HB3 LEU A 67 -5.778 15.253 4.937 1.00 14.32 H new ATOM 0 HG LEU A 67 -6.404 16.486 2.894 1.00 52.44 H new ATOM 0 HD11 LEU A 67 -8.778 16.711 2.274 1.00 11.13 H new ATOM 0 HD12 LEU A 67 -8.207 15.034 2.107 1.00 11.13 H new ATOM 0 HD13 LEU A 67 -9.209 15.498 3.503 1.00 11.13 H new ATOM 0 HD21 LEU A 67 -7.808 18.194 3.987 1.00 74.34 H new ATOM 0 HD22 LEU A 67 -8.199 17.037 5.281 1.00 74.34 H new ATOM 0 HD23 LEU A 67 -6.525 17.603 5.070 1.00 74.34 H new ATOM 1085 N GLN A 68 -4.779 15.040 2.144 1.00 50.23 N ATOM 1086 CA GLN A 68 -3.606 15.252 1.298 1.00 30.34 C ATOM 1087 C GLN A 68 -2.327 15.375 2.131 1.00 64.41 C ATOM 1088 O GLN A 68 -1.475 14.488 2.110 1.00 2.15 O ATOM 1089 CB GLN A 68 -3.808 16.509 0.433 1.00 5.54 C ATOM 1090 CG GLN A 68 -2.965 16.550 -0.842 1.00 24.33 C ATOM 1091 CD GLN A 68 -1.492 16.852 -0.606 1.00 73.02 C ATOM 1092 OE1 GLN A 68 -1.124 17.558 0.333 1.00 63.50 O ATOM 1093 NE2 GLN A 68 -0.640 16.339 -1.479 1.00 32.13 N ATOM 0 H GLN A 68 -5.427 15.828 2.168 1.00 50.23 H new ATOM 0 HA GLN A 68 -3.492 14.383 0.650 1.00 30.34 H new ATOM 0 HB2 GLN A 68 -4.861 16.579 0.159 1.00 5.54 H new ATOM 0 HB3 GLN A 68 -3.576 17.388 1.034 1.00 5.54 H new ATOM 0 HG2 GLN A 68 -3.051 15.590 -1.352 1.00 24.33 H new ATOM 0 HG3 GLN A 68 -3.376 17.305 -1.512 1.00 24.33 H new ATOM 0 HE21 GLN A 68 -0.982 15.758 -2.245 1.00 32.13 H new ATOM 0 HE22 GLN A 68 0.359 16.524 -1.386 1.00 32.13 H new ATOM 1102 N GLY A 69 -2.217 16.453 2.889 1.00 13.22 N ATOM 1103 CA GLY A 69 -0.963 16.772 3.548 1.00 20.51 C ATOM 1104 C GLY A 69 -0.741 16.022 4.843 1.00 74.13 C ATOM 1105 O GLY A 69 0.352 16.066 5.407 1.00 50.45 O ATOM 0 H GLY A 69 -2.973 17.116 3.062 1.00 13.22 H new ATOM 0 HA2 GLY A 69 -0.140 16.553 2.867 1.00 20.51 H new ATOM 0 HA3 GLY A 69 -0.933 17.843 3.750 1.00 20.51 H new ATOM 1109 N VAL A 70 -1.755 15.321 5.318 1.00 34.11 N ATOM 1110 CA VAL A 70 -1.660 14.648 6.607 1.00 43.14 C ATOM 1111 C VAL A 70 -1.176 13.205 6.455 1.00 61.45 C ATOM 1112 O VAL A 70 -0.668 12.607 7.402 1.00 0.34 O ATOM 1113 CB VAL A 70 -3.022 14.668 7.342 1.00 51.13 C ATOM 1114 CG1 VAL A 70 -4.046 13.804 6.624 1.00 4.33 C ATOM 1115 CG2 VAL A 70 -2.865 14.231 8.792 1.00 3.13 C ATOM 0 H VAL A 70 -2.647 15.202 4.838 1.00 34.11 H new ATOM 0 HA VAL A 70 -0.927 15.194 7.201 1.00 43.14 H new ATOM 0 HB VAL A 70 -3.388 15.695 7.336 1.00 51.13 H new ATOM 0 HG11 VAL A 70 -4.993 13.838 7.163 1.00 4.33 H new ATOM 0 HG12 VAL A 70 -4.192 14.179 5.611 1.00 4.33 H new ATOM 0 HG13 VAL A 70 -3.689 12.775 6.582 1.00 4.33 H new ATOM 0 HG21 VAL A 70 -3.836 14.254 9.286 1.00 3.13 H new ATOM 0 HG22 VAL A 70 -2.465 13.218 8.825 1.00 3.13 H new ATOM 0 HG23 VAL A 70 -2.181 14.908 9.304 1.00 3.13 H new ATOM 1125 N HIS A 71 -1.291 12.657 5.252 1.00 73.24 N ATOM 1126 CA HIS A 71 -1.042 11.232 5.050 1.00 3.13 C ATOM 1127 C HIS A 71 0.450 10.912 4.897 1.00 23.11 C ATOM 1128 O HIS A 71 0.817 9.766 4.652 1.00 34.52 O ATOM 1129 CB HIS A 71 -1.833 10.700 3.836 1.00 44.24 C ATOM 1130 CG HIS A 71 -1.368 11.199 2.497 1.00 43.41 C ATOM 1131 ND1 HIS A 71 -2.227 11.632 1.512 1.00 63.23 N ATOM 1132 CD2 HIS A 71 -0.128 11.290 1.972 1.00 61.20 C ATOM 1133 CE1 HIS A 71 -1.533 11.965 0.439 1.00 43.22 C ATOM 1134 NE2 HIS A 71 -0.250 11.768 0.693 1.00 3.22 N ATOM 0 H HIS A 71 -1.552 13.169 4.409 1.00 73.24 H new ATOM 0 HA HIS A 71 -1.391 10.724 5.949 1.00 3.13 H new ATOM 0 HB2 HIS A 71 -1.780 9.611 3.838 1.00 44.24 H new ATOM 0 HB3 HIS A 71 -2.882 10.968 3.961 1.00 44.24 H new ATOM 0 HD1 HIS A 71 -3.242 11.687 1.598 1.00 63.23 H new ATOM 0 HD2 HIS A 71 0.795 11.032 2.470 1.00 61.20 H new ATOM 0 HE1 HIS A 71 -1.943 12.335 -0.489 1.00 43.22 H new ATOM 1143 N ASP A 72 1.308 11.911 5.037 1.00 33.23 N ATOM 1144 CA ASP A 72 2.740 11.701 4.826 1.00 70.22 C ATOM 1145 C ASP A 72 3.349 10.890 5.959 1.00 61.50 C ATOM 1146 O ASP A 72 4.286 10.122 5.751 1.00 14.04 O ATOM 1147 CB ASP A 72 3.474 13.032 4.686 1.00 63.12 C ATOM 1148 CG ASP A 72 4.964 12.848 4.467 1.00 11.22 C ATOM 1149 OD1 ASP A 72 5.377 12.689 3.302 1.00 13.21 O ATOM 1150 OD2 ASP A 72 5.731 12.861 5.456 1.00 52.33 O ATOM 0 H ASP A 72 1.047 12.864 5.292 1.00 33.23 H new ATOM 0 HA ASP A 72 2.854 11.140 3.898 1.00 70.22 H new ATOM 0 HB2 ASP A 72 3.053 13.591 3.850 1.00 63.12 H new ATOM 0 HB3 ASP A 72 3.312 13.630 5.583 1.00 63.12 H new ATOM 1155 N ASP A 73 2.792 11.043 7.152 1.00 73.54 N ATOM 1156 CA ASP A 73 3.302 10.356 8.333 1.00 4.45 C ATOM 1157 C ASP A 73 2.676 8.977 8.469 1.00 42.25 C ATOM 1158 O ASP A 73 2.850 8.299 9.481 1.00 42.11 O ATOM 1159 CB ASP A 73 3.032 11.181 9.593 1.00 1.12 C ATOM 1160 CG ASP A 73 3.898 12.420 9.669 1.00 72.34 C ATOM 1161 OD1 ASP A 73 3.511 13.463 9.110 1.00 34.52 O ATOM 1162 OD2 ASP A 73 4.982 12.353 10.286 1.00 23.35 O ATOM 0 H ASP A 73 1.983 11.639 7.329 1.00 73.54 H new ATOM 0 HA ASP A 73 4.379 10.237 8.215 1.00 4.45 H new ATOM 0 HB2 ASP A 73 1.982 11.473 9.614 1.00 1.12 H new ATOM 0 HB3 ASP A 73 3.209 10.563 10.473 1.00 1.12 H new ATOM 1167 N VAL A 74 1.953 8.563 7.442 1.00 62.32 N ATOM 1168 CA VAL A 74 1.306 7.266 7.443 1.00 40.03 C ATOM 1169 C VAL A 74 2.235 6.220 6.847 1.00 2.24 C ATOM 1170 O VAL A 74 2.579 6.293 5.671 1.00 13.05 O ATOM 1171 CB VAL A 74 -0.002 7.294 6.628 1.00 65.44 C ATOM 1172 CG1 VAL A 74 -0.780 6.000 6.804 1.00 75.52 C ATOM 1173 CG2 VAL A 74 -0.854 8.495 7.011 1.00 23.32 C ATOM 0 H VAL A 74 1.800 9.110 6.595 1.00 62.32 H new ATOM 0 HA VAL A 74 1.072 7.013 8.477 1.00 40.03 H new ATOM 0 HB VAL A 74 0.260 7.388 5.574 1.00 65.44 H new ATOM 0 HG11 VAL A 74 -1.698 6.045 6.219 1.00 75.52 H new ATOM 0 HG12 VAL A 74 -0.173 5.161 6.463 1.00 75.52 H new ATOM 0 HG13 VAL A 74 -1.027 5.864 7.857 1.00 75.52 H new ATOM 0 HG21 VAL A 74 -1.771 8.493 6.422 1.00 23.32 H new ATOM 0 HG22 VAL A 74 -1.103 8.442 8.071 1.00 23.32 H new ATOM 0 HG23 VAL A 74 -0.299 9.412 6.814 1.00 23.32 H new ATOM 1183 N ASP A 75 2.640 5.263 7.660 1.00 44.13 N ATOM 1184 CA ASP A 75 3.490 4.173 7.194 1.00 40.15 C ATOM 1185 C ASP A 75 2.621 2.972 6.865 1.00 1.43 C ATOM 1186 O ASP A 75 1.921 2.451 7.735 1.00 63.04 O ATOM 1187 CB ASP A 75 4.517 3.788 8.269 1.00 51.40 C ATOM 1188 CG ASP A 75 5.717 3.040 7.727 1.00 70.41 C ATOM 1189 OD1 ASP A 75 5.970 3.099 6.507 1.00 31.34 O ATOM 1190 OD2 ASP A 75 6.438 2.417 8.537 1.00 54.11 O ATOM 0 H ASP A 75 2.396 5.214 8.649 1.00 44.13 H new ATOM 0 HA ASP A 75 4.029 4.499 6.304 1.00 40.15 H new ATOM 0 HB2 ASP A 75 4.861 4.693 8.771 1.00 51.40 H new ATOM 0 HB3 ASP A 75 4.027 3.172 9.023 1.00 51.40 H new ATOM 1195 N ILE A 76 2.639 2.553 5.611 1.00 64.43 N ATOM 1196 CA ILE A 76 1.850 1.409 5.192 1.00 52.24 C ATOM 1197 C ILE A 76 2.650 0.140 5.448 1.00 73.40 C ATOM 1198 O ILE A 76 3.637 -0.141 4.766 1.00 54.32 O ATOM 1199 CB ILE A 76 1.455 1.488 3.697 1.00 30.05 C ATOM 1200 CG1 ILE A 76 0.982 2.906 3.321 1.00 2.44 C ATOM 1201 CG2 ILE A 76 0.368 0.465 3.393 1.00 41.24 C ATOM 1202 CD1 ILE A 76 -0.253 3.370 4.060 1.00 71.12 C ATOM 0 H ILE A 76 3.189 2.986 4.869 1.00 64.43 H new ATOM 0 HA ILE A 76 0.926 1.403 5.770 1.00 52.24 H new ATOM 0 HB ILE A 76 2.336 1.261 3.096 1.00 30.05 H new ATOM 0 HG12 ILE A 76 1.792 3.609 3.515 1.00 2.44 H new ATOM 0 HG13 ILE A 76 0.783 2.937 2.250 1.00 2.44 H new ATOM 0 HG21 ILE A 76 0.095 0.526 2.340 1.00 41.24 H new ATOM 0 HG22 ILE A 76 0.738 -0.536 3.614 1.00 41.24 H new ATOM 0 HG23 ILE A 76 -0.508 0.672 4.007 1.00 41.24 H new ATOM 0 HD11 ILE A 76 -0.515 4.377 3.734 1.00 71.12 H new ATOM 0 HD12 ILE A 76 -1.080 2.693 3.847 1.00 71.12 H new ATOM 0 HD13 ILE A 76 -0.055 3.375 5.132 1.00 71.12 H new ATOM 1214 N ILE A 77 2.219 -0.614 6.442 1.00 51.33 N ATOM 1215 CA ILE A 77 2.977 -1.750 6.927 1.00 62.32 C ATOM 1216 C ILE A 77 2.431 -3.058 6.364 1.00 52.23 C ATOM 1217 O ILE A 77 1.246 -3.361 6.496 1.00 61.33 O ATOM 1218 CB ILE A 77 2.961 -1.782 8.470 1.00 32.54 C ATOM 1219 CG1 ILE A 77 3.489 -0.445 9.007 1.00 63.34 C ATOM 1220 CG2 ILE A 77 3.793 -2.946 8.993 1.00 13.04 C ATOM 1221 CD1 ILE A 77 3.382 -0.282 10.507 1.00 31.13 C ATOM 0 H ILE A 77 1.339 -0.457 6.933 1.00 51.33 H new ATOM 0 HA ILE A 77 4.006 -1.641 6.585 1.00 62.32 H new ATOM 0 HB ILE A 77 1.938 -1.927 8.818 1.00 32.54 H new ATOM 0 HG12 ILE A 77 4.534 -0.339 8.717 1.00 63.34 H new ATOM 0 HG13 ILE A 77 2.942 0.366 8.527 1.00 63.34 H new ATOM 0 HG21 ILE A 77 3.768 -2.950 10.083 1.00 13.04 H new ATOM 0 HG22 ILE A 77 3.384 -3.884 8.617 1.00 13.04 H new ATOM 0 HG23 ILE A 77 4.823 -2.838 8.654 1.00 13.04 H new ATOM 0 HD11 ILE A 77 3.778 0.691 10.796 1.00 31.13 H new ATOM 0 HD12 ILE A 77 2.336 -0.352 10.807 1.00 31.13 H new ATOM 0 HD13 ILE A 77 3.954 -1.068 11.000 1.00 31.13 H new ATOM 1233 N LEU A 78 3.310 -3.820 5.731 1.00 22.34 N ATOM 1234 CA LEU A 78 2.949 -5.092 5.136 1.00 2.15 C ATOM 1235 C LEU A 78 2.890 -6.176 6.209 1.00 74.31 C ATOM 1236 O LEU A 78 3.895 -6.482 6.851 1.00 74.25 O ATOM 1237 CB LEU A 78 3.977 -5.466 4.060 1.00 4.13 C ATOM 1238 CG LEU A 78 3.634 -6.696 3.216 1.00 40.12 C ATOM 1239 CD1 LEU A 78 2.436 -6.412 2.327 1.00 1.14 C ATOM 1240 CD2 LEU A 78 4.832 -7.119 2.380 1.00 10.11 C ATOM 0 H LEU A 78 4.293 -3.572 5.617 1.00 22.34 H new ATOM 0 HA LEU A 78 1.965 -5.006 4.675 1.00 2.15 H new ATOM 0 HB2 LEU A 78 4.104 -4.614 3.393 1.00 4.13 H new ATOM 0 HB3 LEU A 78 4.938 -5.637 4.545 1.00 4.13 H new ATOM 0 HG LEU A 78 3.378 -7.516 3.887 1.00 40.12 H new ATOM 0 HD11 LEU A 78 2.205 -7.297 1.734 1.00 1.14 H new ATOM 0 HD12 LEU A 78 1.576 -6.156 2.946 1.00 1.14 H new ATOM 0 HD13 LEU A 78 2.665 -5.579 1.662 1.00 1.14 H new ATOM 0 HD21 LEU A 78 4.570 -7.995 1.786 1.00 10.11 H new ATOM 0 HD22 LEU A 78 5.119 -6.303 1.716 1.00 10.11 H new ATOM 0 HD23 LEU A 78 5.667 -7.362 3.037 1.00 10.11 H new ATOM 1252 N LEU A 79 1.709 -6.740 6.408 1.00 71.14 N ATOM 1253 CA LEU A 79 1.508 -7.786 7.401 1.00 12.41 C ATOM 1254 C LEU A 79 1.652 -9.158 6.763 1.00 72.54 C ATOM 1255 O LEU A 79 2.236 -10.075 7.345 1.00 74.25 O ATOM 1256 CB LEU A 79 0.120 -7.662 8.026 1.00 24.05 C ATOM 1257 CG LEU A 79 -0.154 -6.349 8.756 1.00 40.34 C ATOM 1258 CD1 LEU A 79 -1.582 -6.332 9.278 1.00 51.24 C ATOM 1259 CD2 LEU A 79 0.836 -6.158 9.896 1.00 31.11 C ATOM 0 H LEU A 79 0.867 -6.488 5.890 1.00 71.14 H new ATOM 0 HA LEU A 79 2.265 -7.670 8.177 1.00 12.41 H new ATOM 0 HB2 LEU A 79 -0.626 -7.784 7.241 1.00 24.05 H new ATOM 0 HB3 LEU A 79 -0.019 -8.484 8.728 1.00 24.05 H new ATOM 0 HG LEU A 79 -0.029 -5.524 8.055 1.00 40.34 H new ATOM 0 HD11 LEU A 79 -1.768 -5.392 9.797 1.00 51.24 H new ATOM 0 HD12 LEU A 79 -2.276 -6.429 8.443 1.00 51.24 H new ATOM 0 HD13 LEU A 79 -1.727 -7.163 9.969 1.00 51.24 H new ATOM 0 HD21 LEU A 79 0.627 -5.218 10.406 1.00 31.11 H new ATOM 0 HD22 LEU A 79 0.741 -6.983 10.602 1.00 31.11 H new ATOM 0 HD23 LEU A 79 1.850 -6.137 9.497 1.00 31.11 H new ATOM 1271 N GLN A 80 1.123 -9.287 5.561 1.00 4.45 N ATOM 1272 CA GLN A 80 1.154 -10.547 4.845 1.00 44.40 C ATOM 1273 C GLN A 80 1.828 -10.349 3.501 1.00 24.51 C ATOM 1274 O GLN A 80 1.501 -9.423 2.766 1.00 30.52 O ATOM 1275 CB GLN A 80 -0.274 -11.076 4.660 1.00 71.34 C ATOM 1276 CG GLN A 80 -0.356 -12.462 4.041 1.00 63.24 C ATOM 1277 CD GLN A 80 -1.058 -12.460 2.698 1.00 75.35 C ATOM 1278 OE1 GLN A 80 -0.426 -12.334 1.650 1.00 43.01 O ATOM 1279 NE2 GLN A 80 -2.375 -12.590 2.721 1.00 31.30 N ATOM 0 H GLN A 80 0.664 -8.528 5.057 1.00 4.45 H new ATOM 0 HA GLN A 80 1.722 -11.279 5.419 1.00 44.40 H new ATOM 0 HB2 GLN A 80 -0.770 -11.095 5.631 1.00 71.34 H new ATOM 0 HB3 GLN A 80 -0.828 -10.378 4.033 1.00 71.34 H new ATOM 0 HG2 GLN A 80 0.651 -12.862 3.920 1.00 63.24 H new ATOM 0 HG3 GLN A 80 -0.884 -13.129 4.722 1.00 63.24 H new ATOM 0 HE21 GLN A 80 -2.862 -12.692 3.611 1.00 31.30 H new ATOM 0 HE22 GLN A 80 -2.903 -12.588 1.848 1.00 31.30 H new ATOM 1288 N ASP A 81 2.766 -11.219 3.185 1.00 3.55 N ATOM 1289 CA ASP A 81 3.498 -11.119 1.935 1.00 61.20 C ATOM 1290 C ASP A 81 3.230 -12.354 1.092 1.00 73.14 C ATOM 1291 O ASP A 81 3.848 -13.402 1.293 1.00 34.14 O ATOM 1292 CB ASP A 81 4.998 -10.950 2.205 1.00 52.53 C ATOM 1293 CG ASP A 81 5.802 -10.649 0.953 1.00 55.22 C ATOM 1294 OD1 ASP A 81 5.241 -10.072 -0.001 1.00 64.01 O ATOM 1295 OD2 ASP A 81 7.013 -10.963 0.938 1.00 50.15 O ATOM 0 H ASP A 81 3.041 -12.004 3.776 1.00 3.55 H new ATOM 0 HA ASP A 81 3.159 -10.240 1.386 1.00 61.20 H new ATOM 0 HB2 ASP A 81 5.142 -10.144 2.924 1.00 52.53 H new ATOM 0 HB3 ASP A 81 5.382 -11.860 2.665 1.00 52.53 H new ATOM 1300 N LEU A 82 2.261 -12.234 0.192 1.00 61.42 N ATOM 1301 CA LEU A 82 1.831 -13.352 -0.639 1.00 74.01 C ATOM 1302 C LEU A 82 2.979 -13.896 -1.469 1.00 61.23 C ATOM 1303 O LEU A 82 3.414 -15.033 -1.277 1.00 31.03 O ATOM 1304 CB LEU A 82 0.694 -12.927 -1.564 1.00 4.42 C ATOM 1305 CG LEU A 82 0.236 -14.004 -2.545 1.00 54.00 C ATOM 1306 CD1 LEU A 82 -0.425 -15.158 -1.806 1.00 72.25 C ATOM 1307 CD2 LEU A 82 -0.700 -13.414 -3.584 1.00 10.12 C ATOM 0 H LEU A 82 1.755 -11.366 0.018 1.00 61.42 H new ATOM 0 HA LEU A 82 1.480 -14.139 0.029 1.00 74.01 H new ATOM 0 HB2 LEU A 82 -0.158 -12.623 -0.955 1.00 4.42 H new ATOM 0 HB3 LEU A 82 1.011 -12.051 -2.129 1.00 4.42 H new ATOM 0 HG LEU A 82 1.112 -14.395 -3.062 1.00 54.00 H new ATOM 0 HD11 LEU A 82 -0.744 -15.914 -2.523 1.00 72.25 H new ATOM 0 HD12 LEU A 82 0.287 -15.598 -1.107 1.00 72.25 H new ATOM 0 HD13 LEU A 82 -1.292 -14.790 -1.257 1.00 72.25 H new ATOM 0 HD21 LEU A 82 -1.016 -14.196 -4.275 1.00 10.12 H new ATOM 0 HD22 LEU A 82 -1.574 -12.992 -3.088 1.00 10.12 H new ATOM 0 HD23 LEU A 82 -0.182 -12.630 -4.136 1.00 10.12 H new ATOM 1319 N GLU A 83 3.451 -13.091 -2.400 1.00 14.22 N ATOM 1320 CA GLU A 83 4.574 -13.479 -3.224 1.00 22.41 C ATOM 1321 C GLU A 83 5.862 -13.069 -2.524 1.00 21.12 C ATOM 1322 O GLU A 83 6.424 -12.005 -2.784 1.00 1.33 O ATOM 1323 CB GLU A 83 4.469 -12.861 -4.620 1.00 44.31 C ATOM 1324 CG GLU A 83 3.188 -13.249 -5.343 1.00 51.43 C ATOM 1325 CD GLU A 83 3.154 -12.788 -6.785 1.00 71.35 C ATOM 1326 OE1 GLU A 83 2.820 -11.612 -7.031 1.00 30.12 O ATOM 1327 OE2 GLU A 83 3.444 -13.609 -7.682 1.00 45.04 O ATOM 0 H GLU A 83 3.074 -12.165 -2.603 1.00 14.22 H new ATOM 0 HA GLU A 83 4.573 -14.561 -3.359 1.00 22.41 H new ATOM 0 HB2 GLU A 83 4.519 -11.775 -4.536 1.00 44.31 H new ATOM 0 HB3 GLU A 83 5.326 -13.174 -5.216 1.00 44.31 H new ATOM 0 HG2 GLU A 83 3.075 -14.333 -5.312 1.00 51.43 H new ATOM 0 HG3 GLU A 83 2.336 -12.824 -4.812 1.00 51.43 H new ATOM 1334 N HIS A 84 6.299 -13.921 -1.613 1.00 75.14 N ATOM 1335 CA HIS A 84 7.368 -13.585 -0.691 1.00 41.02 C ATOM 1336 C HIS A 84 8.736 -13.847 -1.304 1.00 13.31 C ATOM 1337 O HIS A 84 9.146 -14.997 -1.472 1.00 2.12 O ATOM 1338 CB HIS A 84 7.203 -14.383 0.604 1.00 25.55 C ATOM 1339 CG HIS A 84 8.223 -14.060 1.651 1.00 23.43 C ATOM 1340 ND1 HIS A 84 8.337 -12.818 2.233 1.00 54.30 N ATOM 1341 CD2 HIS A 84 9.183 -14.825 2.214 1.00 24.53 C ATOM 1342 CE1 HIS A 84 9.319 -12.834 3.113 1.00 71.02 C ATOM 1343 NE2 HIS A 84 9.849 -14.041 3.120 1.00 51.33 N ATOM 0 H HIS A 84 5.924 -14.862 -1.492 1.00 75.14 H new ATOM 0 HA HIS A 84 7.305 -12.519 -0.470 1.00 41.02 H new ATOM 0 HB2 HIS A 84 6.209 -14.196 1.010 1.00 25.55 H new ATOM 0 HB3 HIS A 84 7.258 -15.447 0.373 1.00 25.55 H new ATOM 0 HD1 HIS A 84 7.753 -12.010 2.017 1.00 54.30 H new ATOM 0 HD2 HIS A 84 9.388 -15.862 1.992 1.00 24.53 H new ATOM 0 HE1 HIS A 84 9.635 -12.001 3.723 1.00 71.02 H new ATOM 1352 N HIS A 85 9.431 -12.772 -1.637 1.00 53.14 N ATOM 1353 CA HIS A 85 10.783 -12.872 -2.156 1.00 31.34 C ATOM 1354 C HIS A 85 11.769 -12.440 -1.078 1.00 12.21 C ATOM 1355 O HIS A 85 12.409 -13.323 -0.471 1.00 52.34 O ATOM 1356 CB HIS A 85 10.950 -12.008 -3.416 1.00 1.53 C ATOM 1357 CG HIS A 85 12.224 -12.271 -4.169 1.00 22.04 C ATOM 1358 ND1 HIS A 85 12.298 -12.290 -5.546 1.00 44.31 N ATOM 1359 CD2 HIS A 85 13.481 -12.518 -3.728 1.00 71.03 C ATOM 1360 CE1 HIS A 85 13.541 -12.541 -5.915 1.00 2.43 C ATOM 1361 NE2 HIS A 85 14.279 -12.681 -4.831 1.00 53.51 N ATOM 0 H HIS A 85 9.079 -11.818 -1.556 1.00 53.14 H new ATOM 0 HA HIS A 85 10.982 -13.907 -2.434 1.00 31.34 H new ATOM 0 HB2 HIS A 85 10.104 -12.184 -4.080 1.00 1.53 H new ATOM 0 HB3 HIS A 85 10.918 -10.956 -3.131 1.00 1.53 H new ATOM 0 HD2 HIS A 85 13.797 -12.576 -2.697 1.00 71.03 H new ATOM 0 HE1 HIS A 85 13.894 -12.619 -6.933 1.00 2.43 H new ATOM 0 HE2 HIS A 85 15.280 -12.878 -4.816 1.00 53.51 H new TER 1370 HIS A 85