USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.54) USER MOD Single : A 18 THR OG1 : rot -94:sc= 0.0987 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.000714 USER MOD Single : A 23 SER OG : rot 69:sc= 0.534 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= 2.11 (180deg=0.794) USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00119) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -148:sc= -1.61 (180deg=-4.2!) USER MOD Single : A 42 ASN : amide:sc=-0.00446 X(o=-0.0045,f=-0.037) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -7.83! C(o=-7.8!,f=-5.9!) USER MOD Single : A 56 GLN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 57 MET CE :methyl -103:sc= -3.88! (180deg=-7.09!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 78:sc= 0.043 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.147 K(o=-0.15,f=-0.77) USER MOD Single : A 76 MET CE :methyl 159:sc= -1.2 (180deg=-1.85!) USER MOD Single : A 78 SER OG : rot -34:sc= 0.365 USER MOD Single : A 79 TYR OH : rot 130:sc= -0.81 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.19 K(o=-0.19,f=-1) USER MOD Single : A 83 MET CE :methyl -150:sc= -0.435 (180deg=-0.9) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -132:sc= 1 USER MOD Single : A 97 SER OG : rot 53:sc= 0.36 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.837 1.000 -6.727 1.00 0.00 N ATOM 2 CA GLY A 1 -28.199 0.687 -5.459 1.00 0.00 C ATOM 3 C GLY A 1 -26.911 -0.109 -5.675 1.00 0.00 C ATOM 4 O GLY A 1 -25.830 0.335 -5.289 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.708 1.540 -6.553 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.189 1.566 -7.311 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.070 0.118 -7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.975 1.609 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.884 0.114 -4.835 1.00 0.00 H new ATOM 8 N SER A 2 -27.068 -1.272 -6.291 1.00 0.00 N ATOM 9 CA SER A 2 -25.930 -2.134 -6.563 1.00 0.00 C ATOM 10 C SER A 2 -25.001 -2.174 -5.348 1.00 0.00 C ATOM 11 O SER A 2 -24.088 -1.358 -5.233 1.00 0.00 O ATOM 12 CB SER A 2 -25.165 -1.662 -7.801 1.00 0.00 C ATOM 13 OG SER A 2 -25.873 -1.942 -9.005 1.00 0.00 O ATOM 0 H SER A 2 -27.966 -1.637 -6.609 1.00 0.00 H new ATOM 0 HA SER A 2 -26.302 -3.139 -6.761 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.984 -0.590 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.190 -2.149 -7.832 1.00 0.00 H new ATOM 0 HG SER A 2 -25.353 -1.624 -9.772 1.00 0.00 H new ATOM 19 N SER A 3 -25.266 -3.132 -4.471 1.00 0.00 N ATOM 20 CA SER A 3 -24.465 -3.288 -3.269 1.00 0.00 C ATOM 21 C SER A 3 -23.183 -4.058 -3.591 1.00 0.00 C ATOM 22 O SER A 3 -23.124 -5.274 -3.415 1.00 0.00 O ATOM 23 CB SER A 3 -25.254 -4.007 -2.172 1.00 0.00 C ATOM 24 OG SER A 3 -24.992 -3.461 -0.882 1.00 0.00 O ATOM 0 H SER A 3 -26.024 -3.807 -4.569 1.00 0.00 H new ATOM 0 HA SER A 3 -24.203 -2.296 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.320 -3.936 -2.386 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.998 -5.067 -2.176 1.00 0.00 H new ATOM 0 HG SER A 3 -25.515 -3.945 -0.209 1.00 0.00 H new ATOM 30 N GLY A 4 -22.188 -3.318 -4.057 1.00 0.00 N ATOM 31 CA GLY A 4 -20.910 -3.915 -4.406 1.00 0.00 C ATOM 32 C GLY A 4 -20.114 -4.277 -3.150 1.00 0.00 C ATOM 33 O GLY A 4 -19.059 -3.699 -2.891 1.00 0.00 O ATOM 0 H GLY A 4 -22.241 -2.310 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.074 -4.809 -5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.335 -3.220 -5.018 1.00 0.00 H new ATOM 37 N SER A 5 -20.649 -5.233 -2.404 1.00 0.00 N ATOM 38 CA SER A 5 -20.001 -5.679 -1.182 1.00 0.00 C ATOM 39 C SER A 5 -18.550 -6.069 -1.471 1.00 0.00 C ATOM 40 O SER A 5 -18.286 -6.873 -2.364 1.00 0.00 O ATOM 41 CB SER A 5 -20.753 -6.857 -0.559 1.00 0.00 C ATOM 42 OG SER A 5 -20.800 -6.768 0.862 1.00 0.00 O ATOM 0 H SER A 5 -21.523 -5.711 -2.622 1.00 0.00 H new ATOM 0 HA SER A 5 -20.014 -4.856 -0.468 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.768 -6.889 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.269 -7.790 -0.848 1.00 0.00 H new ATOM 0 HG SER A 5 -21.290 -7.537 1.222 1.00 0.00 H new ATOM 48 N SER A 6 -17.648 -5.480 -0.700 1.00 0.00 N ATOM 49 CA SER A 6 -16.231 -5.756 -0.862 1.00 0.00 C ATOM 50 C SER A 6 -15.754 -6.710 0.236 1.00 0.00 C ATOM 51 O SER A 6 -15.697 -6.335 1.406 1.00 0.00 O ATOM 52 CB SER A 6 -15.412 -4.464 -0.834 1.00 0.00 C ATOM 53 OG SER A 6 -15.283 -3.886 -2.131 1.00 0.00 O ATOM 0 H SER A 6 -17.871 -4.813 0.039 1.00 0.00 H new ATOM 0 HA SER A 6 -16.084 -6.228 -1.834 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.887 -3.748 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.421 -4.671 -0.429 1.00 0.00 H new ATOM 0 HG SER A 6 -14.755 -3.062 -2.071 1.00 0.00 H new ATOM 59 N GLY A 7 -15.425 -7.924 -0.181 1.00 0.00 N ATOM 60 CA GLY A 7 -14.956 -8.934 0.752 1.00 0.00 C ATOM 61 C GLY A 7 -13.609 -9.507 0.307 1.00 0.00 C ATOM 62 O GLY A 7 -12.558 -8.964 0.643 1.00 0.00 O ATOM 0 H GLY A 7 -15.474 -8.231 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.860 -8.499 1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.690 -9.736 0.825 1.00 0.00 H new ATOM 66 N GLU A 8 -13.685 -10.598 -0.441 1.00 0.00 N ATOM 67 CA GLU A 8 -12.485 -11.251 -0.936 1.00 0.00 C ATOM 68 C GLU A 8 -11.779 -10.360 -1.959 1.00 0.00 C ATOM 69 O GLU A 8 -12.395 -9.468 -2.541 1.00 0.00 O ATOM 70 CB GLU A 8 -12.813 -12.620 -1.535 1.00 0.00 C ATOM 71 CG GLU A 8 -13.111 -13.642 -0.436 1.00 0.00 C ATOM 72 CD GLU A 8 -12.570 -15.024 -0.811 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.338 -15.120 -0.999 1.00 0.00 O ATOM 74 OE2 GLU A 8 -13.402 -15.953 -0.902 1.00 0.00 O ATOM 0 H GLU A 8 -14.559 -11.046 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.810 -11.411 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.673 -12.534 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.976 -12.966 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.663 -13.314 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.187 -13.701 -0.271 1.00 0.00 H new ATOM 81 N GLY A 9 -10.496 -10.632 -2.148 1.00 0.00 N ATOM 82 CA GLY A 9 -9.699 -9.866 -3.092 1.00 0.00 C ATOM 83 C GLY A 9 -8.942 -8.741 -2.383 1.00 0.00 C ATOM 84 O GLY A 9 -9.554 -7.838 -1.815 1.00 0.00 O ATOM 0 H GLY A 9 -9.988 -11.372 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.991 -10.525 -3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.345 -9.445 -3.862 1.00 0.00 H new ATOM 88 N TYR A 10 -7.621 -8.833 -2.440 1.00 0.00 N ATOM 89 CA TYR A 10 -6.774 -7.834 -1.811 1.00 0.00 C ATOM 90 C TYR A 10 -5.922 -7.104 -2.851 1.00 0.00 C ATOM 91 O TYR A 10 -6.041 -5.890 -3.015 1.00 0.00 O ATOM 92 CB TYR A 10 -5.852 -8.601 -0.861 1.00 0.00 C ATOM 93 CG TYR A 10 -6.557 -9.153 0.380 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.348 -8.325 1.150 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.402 -10.479 0.728 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.011 -8.845 2.318 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.066 -10.999 1.896 1.00 0.00 C ATOM 98 CZ TYR A 10 -7.837 -10.156 2.633 1.00 0.00 C ATOM 99 OH TYR A 10 -8.464 -10.647 3.736 1.00 0.00 O ATOM 0 H TYR A 10 -7.117 -9.584 -2.912 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.379 -7.088 -1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.394 -9.428 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.044 -7.942 -0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.470 -7.287 0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.783 -11.127 0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.632 -8.208 2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.954 -12.035 2.180 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.250 -11.598 3.838 1.00 0.00 H new ATOM 109 N GLU A 11 -5.082 -7.874 -3.526 1.00 0.00 N ATOM 110 CA GLU A 11 -4.210 -7.315 -4.546 1.00 0.00 C ATOM 111 C GLU A 11 -4.951 -6.245 -5.350 1.00 0.00 C ATOM 112 O GLU A 11 -4.481 -5.114 -5.466 1.00 0.00 O ATOM 113 CB GLU A 11 -3.667 -8.412 -5.464 1.00 0.00 C ATOM 114 CG GLU A 11 -2.554 -9.203 -4.774 1.00 0.00 C ATOM 115 CD GLU A 11 -2.966 -10.662 -4.567 1.00 0.00 C ATOM 116 OE1 GLU A 11 -3.850 -10.886 -3.712 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.386 -11.521 -5.267 1.00 0.00 O ATOM 0 H GLU A 11 -4.986 -8.880 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.359 -6.846 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.475 -9.086 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.286 -7.967 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.646 -9.160 -5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.322 -8.747 -3.812 1.00 0.00 H new ATOM 124 N GLN A 12 -6.097 -6.639 -5.884 1.00 0.00 N ATOM 125 CA GLN A 12 -6.908 -5.727 -6.674 1.00 0.00 C ATOM 126 C GLN A 12 -7.003 -4.366 -5.981 1.00 0.00 C ATOM 127 O GLN A 12 -6.567 -3.355 -6.528 1.00 0.00 O ATOM 128 CB GLN A 12 -8.299 -6.311 -6.929 1.00 0.00 C ATOM 129 CG GLN A 12 -9.000 -5.576 -8.072 1.00 0.00 C ATOM 130 CD GLN A 12 -10.376 -5.069 -7.635 1.00 0.00 C ATOM 131 OE1 GLN A 12 -10.567 -4.586 -6.531 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.322 -5.205 -8.561 1.00 0.00 N ATOM 0 H GLN A 12 -6.484 -7.578 -5.786 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.426 -5.588 -7.642 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.214 -7.370 -7.171 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.900 -6.238 -6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.387 -4.737 -8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.109 -6.244 -8.926 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.095 -5.618 -9.466 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.274 -4.896 -8.366 1.00 0.00 H new ATOM 141 N ASP A 13 -7.576 -4.385 -4.786 1.00 0.00 N ATOM 142 CA ASP A 13 -7.735 -3.165 -4.013 1.00 0.00 C ATOM 143 C ASP A 13 -6.402 -2.415 -3.973 1.00 0.00 C ATOM 144 O ASP A 13 -6.294 -1.306 -4.495 1.00 0.00 O ATOM 145 CB ASP A 13 -8.145 -3.476 -2.572 1.00 0.00 C ATOM 146 CG ASP A 13 -9.593 -3.127 -2.223 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.119 -2.187 -2.857 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.141 -3.808 -1.329 1.00 0.00 O ATOM 0 H ASP A 13 -7.936 -5.226 -4.335 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.511 -2.564 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.988 -4.539 -2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.483 -2.934 -1.897 1.00 0.00 H new ATOM 153 N PHE A 14 -5.420 -3.050 -3.350 1.00 0.00 N ATOM 154 CA PHE A 14 -4.099 -2.456 -3.235 1.00 0.00 C ATOM 155 C PHE A 14 -3.631 -1.897 -4.580 1.00 0.00 C ATOM 156 O PHE A 14 -3.209 -0.744 -4.665 1.00 0.00 O ATOM 157 CB PHE A 14 -3.145 -3.569 -2.799 1.00 0.00 C ATOM 158 CG PHE A 14 -1.695 -3.113 -2.624 1.00 0.00 C ATOM 159 CD1 PHE A 14 -0.859 -3.074 -3.696 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.242 -2.746 -1.395 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.486 -2.650 -3.533 1.00 0.00 C ATOM 162 CE2 PHE A 14 0.104 -2.322 -1.232 1.00 0.00 C ATOM 163 CZ PHE A 14 0.939 -2.283 -2.304 1.00 0.00 C ATOM 0 H PHE A 14 -5.513 -3.970 -2.920 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.121 -1.635 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.499 -3.989 -1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.176 -4.370 -3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.218 -3.366 -4.672 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.905 -2.777 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.149 -2.619 -4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.464 -2.031 -0.256 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.962 -1.961 -2.180 1.00 0.00 H new ATOM 173 N ALA A 15 -3.721 -2.739 -5.599 1.00 0.00 N ATOM 174 CA ALA A 15 -3.312 -2.343 -6.936 1.00 0.00 C ATOM 175 C ALA A 15 -3.998 -1.027 -7.306 1.00 0.00 C ATOM 176 O ALA A 15 -3.333 -0.056 -7.664 1.00 0.00 O ATOM 177 CB ALA A 15 -3.637 -3.467 -7.923 1.00 0.00 C ATOM 0 H ALA A 15 -4.071 -3.694 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.236 -2.176 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.330 -3.170 -8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.103 -4.372 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.710 -3.660 -7.914 1.00 0.00 H new ATOM 183 N VAL A 16 -5.319 -1.036 -7.205 1.00 0.00 N ATOM 184 CA VAL A 16 -6.102 0.146 -7.524 1.00 0.00 C ATOM 185 C VAL A 16 -5.640 1.311 -6.647 1.00 0.00 C ATOM 186 O VAL A 16 -5.328 2.388 -7.152 1.00 0.00 O ATOM 187 CB VAL A 16 -7.594 -0.159 -7.376 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.431 1.113 -7.526 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.037 -1.228 -8.377 1.00 0.00 C ATOM 0 H VAL A 16 -5.867 -1.843 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.945 0.439 -8.562 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.758 -0.551 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.488 0.868 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.143 1.831 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.259 1.547 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.101 -1.426 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.852 -0.876 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.474 -2.145 -8.203 1.00 0.00 H new ATOM 199 N LEU A 17 -5.611 1.056 -5.347 1.00 0.00 N ATOM 200 CA LEU A 17 -5.192 2.070 -4.394 1.00 0.00 C ATOM 201 C LEU A 17 -3.855 2.663 -4.842 1.00 0.00 C ATOM 202 O LEU A 17 -3.790 3.825 -5.241 1.00 0.00 O ATOM 203 CB LEU A 17 -5.166 1.495 -2.977 1.00 0.00 C ATOM 204 CG LEU A 17 -6.512 1.434 -2.252 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.499 0.362 -1.160 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.902 2.807 -1.703 1.00 0.00 C ATOM 0 H LEU A 17 -5.871 0.162 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.911 2.889 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.755 0.487 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.479 2.092 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.276 1.148 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.468 0.340 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.299 -0.611 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.721 0.593 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.862 2.735 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.142 3.147 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.980 3.519 -2.525 1.00 0.00 H new ATOM 218 N THR A 18 -2.821 1.838 -4.762 1.00 0.00 N ATOM 219 CA THR A 18 -1.490 2.267 -5.154 1.00 0.00 C ATOM 220 C THR A 18 -1.556 3.123 -6.420 1.00 0.00 C ATOM 221 O THR A 18 -1.198 4.300 -6.398 1.00 0.00 O ATOM 222 CB THR A 18 -0.618 1.019 -5.309 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.406 0.142 -6.109 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.439 0.262 -3.991 1.00 0.00 C ATOM 0 H THR A 18 -2.879 0.875 -4.431 1.00 0.00 H new ATOM 0 HA THR A 18 -1.040 2.904 -4.393 1.00 0.00 H new ATOM 0 HB THR A 18 0.359 1.305 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.915 -0.462 -5.529 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.187 -0.614 -4.157 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.036 0.914 -3.258 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.413 -0.054 -3.618 1.00 0.00 H new ATOM 232 N ALA A 19 -2.018 2.499 -7.494 1.00 0.00 N ATOM 233 CA ALA A 19 -2.136 3.189 -8.767 1.00 0.00 C ATOM 234 C ALA A 19 -2.828 4.537 -8.550 1.00 0.00 C ATOM 235 O ALA A 19 -2.307 5.577 -8.948 1.00 0.00 O ATOM 236 CB ALA A 19 -2.887 2.302 -9.761 1.00 0.00 C ATOM 0 H ALA A 19 -2.315 1.523 -7.508 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.150 3.388 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.975 2.820 -10.716 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.340 1.370 -9.903 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.882 2.083 -9.374 1.00 0.00 H new ATOM 242 N GLU A 20 -3.991 4.473 -7.919 1.00 0.00 N ATOM 243 CA GLU A 20 -4.760 5.675 -7.644 1.00 0.00 C ATOM 244 C GLU A 20 -3.899 6.696 -6.896 1.00 0.00 C ATOM 245 O GLU A 20 -3.850 7.866 -7.272 1.00 0.00 O ATOM 246 CB GLU A 20 -6.029 5.346 -6.856 1.00 0.00 C ATOM 247 CG GLU A 20 -7.150 6.334 -7.185 1.00 0.00 C ATOM 248 CD GLU A 20 -8.134 6.455 -6.020 1.00 0.00 C ATOM 249 OE1 GLU A 20 -7.647 6.628 -4.882 1.00 0.00 O ATOM 250 OE2 GLU A 20 -9.351 6.371 -6.293 1.00 0.00 O ATOM 0 H GLU A 20 -4.420 3.608 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.066 6.113 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.353 4.332 -7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.816 5.375 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.724 7.312 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.679 6.005 -8.080 1.00 0.00 H new ATOM 257 N ILE A 21 -3.242 6.216 -5.851 1.00 0.00 N ATOM 258 CA ILE A 21 -2.386 7.072 -5.047 1.00 0.00 C ATOM 259 C ILE A 21 -1.248 7.609 -5.918 1.00 0.00 C ATOM 260 O ILE A 21 -1.087 8.820 -6.058 1.00 0.00 O ATOM 261 CB ILE A 21 -1.907 6.330 -3.798 1.00 0.00 C ATOM 262 CG1 ILE A 21 -3.086 5.960 -2.895 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.845 7.140 -3.052 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.632 5.062 -1.742 1.00 0.00 C ATOM 0 H ILE A 21 -3.285 5.245 -5.542 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.944 7.934 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.438 5.398 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.542 6.866 -2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.850 5.449 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.522 6.590 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.010 7.309 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.265 8.099 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.489 4.814 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.198 4.146 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.885 5.586 -1.145 1.00 0.00 H new ATOM 276 N THR A 22 -0.486 6.681 -6.479 1.00 0.00 N ATOM 277 CA THR A 22 0.632 7.046 -7.331 1.00 0.00 C ATOM 278 C THR A 22 0.278 8.267 -8.182 1.00 0.00 C ATOM 279 O THR A 22 1.072 9.200 -8.297 1.00 0.00 O ATOM 280 CB THR A 22 1.016 5.819 -8.160 1.00 0.00 C ATOM 281 OG1 THR A 22 2.394 5.614 -7.861 1.00 0.00 O ATOM 282 CG2 THR A 22 0.998 6.098 -9.664 1.00 0.00 C ATOM 0 H THR A 22 -0.621 5.677 -6.360 1.00 0.00 H new ATOM 0 HA THR A 22 1.499 7.341 -6.740 1.00 0.00 H new ATOM 0 HB THR A 22 0.331 5.002 -7.935 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.724 4.835 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.278 5.194 -10.205 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.003 6.406 -9.965 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.707 6.893 -9.895 1.00 0.00 H new ATOM 290 N SER A 23 -0.915 8.222 -8.757 1.00 0.00 N ATOM 291 CA SER A 23 -1.384 9.313 -9.594 1.00 0.00 C ATOM 292 C SER A 23 -1.569 10.577 -8.752 1.00 0.00 C ATOM 293 O SER A 23 -0.984 11.617 -9.049 1.00 0.00 O ATOM 294 CB SER A 23 -2.693 8.946 -10.295 1.00 0.00 C ATOM 295 OG SER A 23 -2.594 7.711 -10.999 1.00 0.00 O ATOM 0 H SER A 23 -1.571 7.447 -8.660 1.00 0.00 H new ATOM 0 HA SER A 23 -0.633 9.502 -10.361 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.493 8.880 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.966 9.739 -10.991 1.00 0.00 H new ATOM 0 HG SER A 23 -2.512 6.975 -10.358 1.00 0.00 H new ATOM 301 N LYS A 24 -2.386 10.445 -7.716 1.00 0.00 N ATOM 302 CA LYS A 24 -2.656 11.563 -6.829 1.00 0.00 C ATOM 303 C LYS A 24 -1.331 12.154 -6.343 1.00 0.00 C ATOM 304 O LYS A 24 -1.229 13.360 -6.121 1.00 0.00 O ATOM 305 CB LYS A 24 -3.590 11.134 -5.696 1.00 0.00 C ATOM 306 CG LYS A 24 -4.962 10.729 -6.240 1.00 0.00 C ATOM 307 CD LYS A 24 -6.065 11.028 -5.222 1.00 0.00 C ATOM 308 CE LYS A 24 -7.117 9.917 -5.212 1.00 0.00 C ATOM 309 NZ LYS A 24 -8.146 10.169 -6.245 1.00 0.00 N ATOM 0 H LYS A 24 -2.869 9.581 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.182 12.355 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.149 10.298 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.704 11.952 -4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.163 11.266 -7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.963 9.666 -6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.630 11.130 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.538 11.980 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.639 8.954 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.586 9.861 -4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.852 9.406 -6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.613 11.078 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.697 10.200 -7.182 1.00 0.00 H new ATOM 323 N ILE A 25 -0.349 11.278 -6.192 1.00 0.00 N ATOM 324 CA ILE A 25 0.966 11.698 -5.737 1.00 0.00 C ATOM 325 C ILE A 25 1.601 12.604 -6.794 1.00 0.00 C ATOM 326 O ILE A 25 2.339 13.530 -6.460 1.00 0.00 O ATOM 327 CB ILE A 25 1.821 10.483 -5.374 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.369 9.871 -4.046 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.308 10.842 -5.363 1.00 0.00 C ATOM 330 CD1 ILE A 25 2.254 8.684 -3.660 1.00 0.00 C ATOM 0 H ILE A 25 -0.437 10.279 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 25 0.883 12.285 -4.822 1.00 0.00 H new ATOM 0 HB ILE A 25 1.679 9.724 -6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.406 10.627 -3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.332 9.545 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.893 9.960 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.604 11.195 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.487 11.627 -4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.911 8.268 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.196 7.920 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.286 9.018 -3.557 1.00 0.00 H new ATOM 342 N ALA A 26 1.293 12.304 -8.047 1.00 0.00 N ATOM 343 CA ALA A 26 1.824 13.080 -9.155 1.00 0.00 C ATOM 344 C ALA A 26 1.032 14.382 -9.287 1.00 0.00 C ATOM 345 O ALA A 26 1.471 15.315 -9.957 1.00 0.00 O ATOM 346 CB ALA A 26 1.784 12.239 -10.432 1.00 0.00 C ATOM 0 H ALA A 26 0.682 11.534 -8.320 1.00 0.00 H new ATOM 0 HA ALA A 26 2.865 13.346 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.182 12.821 -11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.387 11.341 -10.296 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.754 11.955 -10.648 1.00 0.00 H new ATOM 352 N ARG A 27 -0.123 14.403 -8.638 1.00 0.00 N ATOM 353 CA ARG A 27 -0.981 15.575 -8.675 1.00 0.00 C ATOM 354 C ARG A 27 -0.683 16.488 -7.484 1.00 0.00 C ATOM 355 O ARG A 27 -0.871 17.701 -7.565 1.00 0.00 O ATOM 356 CB ARG A 27 -2.458 15.177 -8.647 1.00 0.00 C ATOM 357 CG ARG A 27 -2.911 14.653 -10.011 1.00 0.00 C ATOM 358 CD ARG A 27 -4.372 15.016 -10.281 1.00 0.00 C ATOM 359 NE ARG A 27 -4.587 15.211 -11.732 1.00 0.00 N ATOM 360 CZ ARG A 27 -4.808 14.214 -12.599 1.00 0.00 C ATOM 361 NH1 ARG A 27 -4.847 12.946 -12.166 1.00 0.00 N ATOM 362 NH2 ARG A 27 -4.992 14.484 -13.898 1.00 0.00 N ATOM 0 H ARG A 27 -0.485 13.627 -8.084 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.777 16.106 -9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.617 14.411 -7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.065 16.037 -8.364 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.278 15.072 -10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.789 13.570 -10.047 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.026 14.226 -9.911 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.635 15.926 -9.741 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.566 16.164 -12.095 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.708 12.740 -11.177 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.015 12.187 -12.826 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.964 15.449 -14.227 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.160 13.725 -14.558 1.00 0.00 H new ATOM 376 N VAL A 28 -0.225 15.871 -6.405 1.00 0.00 N ATOM 377 CA VAL A 28 0.101 16.613 -5.199 1.00 0.00 C ATOM 378 C VAL A 28 0.850 17.892 -5.579 1.00 0.00 C ATOM 379 O VAL A 28 0.484 18.983 -5.143 1.00 0.00 O ATOM 380 CB VAL A 28 0.887 15.724 -4.234 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.052 16.492 -3.607 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.029 15.141 -3.156 1.00 0.00 C ATOM 0 H VAL A 28 -0.072 14.865 -6.341 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.808 16.912 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 28 1.302 14.894 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.594 15.837 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.725 16.836 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.667 17.351 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.555 14.513 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.487 15.952 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.809 14.542 -3.626 1.00 0.00 H new ATOM 392 N PRO A 29 1.912 17.711 -6.409 1.00 0.00 N ATOM 393 CA PRO A 29 2.715 18.837 -6.853 1.00 0.00 C ATOM 394 C PRO A 29 1.978 19.651 -7.918 1.00 0.00 C ATOM 395 O PRO A 29 2.263 20.832 -8.110 1.00 0.00 O ATOM 396 CB PRO A 29 4.007 18.221 -7.365 1.00 0.00 C ATOM 397 CG PRO A 29 3.697 16.755 -7.621 1.00 0.00 C ATOM 398 CD PRO A 29 2.374 16.434 -6.946 1.00 0.00 C ATOM 0 HA PRO A 29 2.918 19.550 -6.054 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.340 18.715 -8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.808 18.329 -6.634 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.637 16.559 -8.692 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.491 16.122 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.657 16.020 -7.656 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.502 15.695 -6.155 1.00 0.00 H new ATOM 406 N ARG A 30 1.043 18.988 -8.583 1.00 0.00 N ATOM 407 CA ARG A 30 0.262 19.635 -9.623 1.00 0.00 C ATOM 408 C ARG A 30 -1.124 20.006 -9.093 1.00 0.00 C ATOM 409 O ARG A 30 -2.082 20.098 -9.860 1.00 0.00 O ATOM 410 CB ARG A 30 0.108 18.724 -10.843 1.00 0.00 C ATOM 411 CG ARG A 30 1.354 18.779 -11.729 1.00 0.00 C ATOM 412 CD ARG A 30 1.190 17.885 -12.960 1.00 0.00 C ATOM 413 NE ARG A 30 2.497 17.703 -13.631 1.00 0.00 N ATOM 414 CZ ARG A 30 2.730 16.795 -14.588 1.00 0.00 C ATOM 415 NH1 ARG A 30 1.746 15.981 -14.993 1.00 0.00 N ATOM 416 NH2 ARG A 30 3.948 16.702 -15.140 1.00 0.00 N ATOM 0 H ARG A 30 0.809 18.008 -8.421 1.00 0.00 H new ATOM 0 HA ARG A 30 0.793 20.538 -9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.065 17.699 -10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.766 19.027 -11.419 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.537 19.807 -12.043 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.226 18.461 -11.157 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.785 16.917 -12.665 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.476 18.332 -13.652 1.00 0.00 H new ATOM 0 HE ARG A 30 3.268 18.307 -13.347 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.819 16.053 -14.573 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.923 15.290 -15.722 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.697 17.322 -14.831 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.126 16.011 -15.869 1.00 0.00 H new ATOM 430 N LEU A 31 -1.188 20.209 -7.785 1.00 0.00 N ATOM 431 CA LEU A 31 -2.441 20.568 -7.144 1.00 0.00 C ATOM 432 C LEU A 31 -2.259 21.878 -6.375 1.00 0.00 C ATOM 433 O LEU A 31 -1.137 22.257 -6.045 1.00 0.00 O ATOM 434 CB LEU A 31 -2.950 19.413 -6.278 1.00 0.00 C ATOM 435 CG LEU A 31 -3.666 18.283 -7.021 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.883 17.076 -6.106 1.00 0.00 C ATOM 437 CD2 LEU A 31 -4.976 18.777 -7.638 1.00 0.00 C ATOM 0 H LEU A 31 -0.392 20.132 -7.152 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.215 20.741 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.103 18.988 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.632 19.819 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.027 17.955 -7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.394 16.288 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.919 16.707 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.491 17.372 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.465 17.955 -8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.632 19.148 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.766 19.581 -8.344 1.00 0.00 H new ATOM 449 N PRO A 32 -3.410 22.551 -6.107 1.00 0.00 N ATOM 450 CA PRO A 32 -3.388 23.811 -5.384 1.00 0.00 C ATOM 451 C PRO A 32 -3.133 23.584 -3.892 1.00 0.00 C ATOM 452 O PRO A 32 -3.207 22.454 -3.412 1.00 0.00 O ATOM 453 CB PRO A 32 -4.739 24.449 -5.664 1.00 0.00 C ATOM 454 CG PRO A 32 -5.639 23.324 -6.147 1.00 0.00 C ATOM 455 CD PRO A 32 -4.757 22.133 -6.483 1.00 0.00 C ATOM 0 HA PRO A 32 -2.578 24.466 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.144 24.915 -4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.653 25.231 -6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.363 23.057 -5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.206 23.638 -7.023 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.064 21.245 -5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.813 21.885 -7.543 1.00 0.00 H new ATOM 463 N PRO A 33 -2.830 24.704 -3.184 1.00 0.00 N ATOM 464 CA PRO A 33 -2.563 24.637 -1.757 1.00 0.00 C ATOM 465 C PRO A 33 -3.858 24.445 -0.965 1.00 0.00 C ATOM 466 O PRO A 33 -3.838 24.406 0.264 1.00 0.00 O ATOM 467 CB PRO A 33 -1.853 25.941 -1.428 1.00 0.00 C ATOM 468 CG PRO A 33 -2.162 26.885 -2.579 1.00 0.00 C ATOM 469 CD PRO A 33 -2.733 26.058 -3.719 1.00 0.00 C ATOM 0 HA PRO A 33 -1.944 23.782 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.206 26.350 -0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.779 25.786 -1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.875 27.648 -2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.259 27.405 -2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.709 26.432 -4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.086 26.092 -4.595 1.00 0.00 H new ATOM 477 N ASP A 34 -4.953 24.331 -1.702 1.00 0.00 N ATOM 478 CA ASP A 34 -6.255 24.144 -1.085 1.00 0.00 C ATOM 479 C ASP A 34 -6.618 22.658 -1.111 1.00 0.00 C ATOM 480 O ASP A 34 -7.101 22.116 -0.118 1.00 0.00 O ATOM 481 CB ASP A 34 -7.340 24.909 -1.844 1.00 0.00 C ATOM 482 CG ASP A 34 -7.913 26.121 -1.107 1.00 0.00 C ATOM 483 OD1 ASP A 34 -8.502 25.901 -0.026 1.00 0.00 O ATOM 484 OD2 ASP A 34 -7.750 27.239 -1.640 1.00 0.00 O ATOM 0 H ASP A 34 -4.965 24.365 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.200 24.517 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.929 25.243 -2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.155 24.223 -2.072 1.00 0.00 H new ATOM 489 N GLU A 35 -6.372 22.041 -2.257 1.00 0.00 N ATOM 490 CA GLU A 35 -6.668 20.629 -2.426 1.00 0.00 C ATOM 491 C GLU A 35 -5.448 19.783 -2.052 1.00 0.00 C ATOM 492 O GLU A 35 -5.590 18.650 -1.595 1.00 0.00 O ATOM 493 CB GLU A 35 -7.124 20.330 -3.855 1.00 0.00 C ATOM 494 CG GLU A 35 -8.477 20.984 -4.146 1.00 0.00 C ATOM 495 CD GLU A 35 -9.627 20.018 -3.855 1.00 0.00 C ATOM 496 OE1 GLU A 35 -10.023 19.948 -2.672 1.00 0.00 O ATOM 497 OE2 GLU A 35 -10.083 19.372 -4.823 1.00 0.00 O ATOM 0 H GLU A 35 -5.971 22.494 -3.078 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.488 20.368 -1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.380 20.696 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.198 19.252 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.589 21.882 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.516 21.298 -5.189 1.00 0.00 H new ATOM 504 N LYS A 36 -4.277 20.367 -2.260 1.00 0.00 N ATOM 505 CA LYS A 36 -3.034 19.681 -1.951 1.00 0.00 C ATOM 506 C LYS A 36 -3.044 19.254 -0.482 1.00 0.00 C ATOM 507 O LYS A 36 -2.951 18.066 -0.177 1.00 0.00 O ATOM 508 CB LYS A 36 -1.834 20.551 -2.330 1.00 0.00 C ATOM 509 CG LYS A 36 -0.520 19.878 -1.928 1.00 0.00 C ATOM 510 CD LYS A 36 0.683 20.708 -2.382 1.00 0.00 C ATOM 511 CE LYS A 36 1.996 20.037 -1.977 1.00 0.00 C ATOM 512 NZ LYS A 36 2.968 21.046 -1.498 1.00 0.00 N ATOM 0 H LYS A 36 -4.163 21.307 -2.639 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.941 18.773 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.839 20.735 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.915 21.521 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.490 19.749 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.467 18.883 -2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.654 20.835 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.629 21.704 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.809 19.303 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.413 19.497 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.618 20.605 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.510 21.416 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.459 21.826 -1.036 1.00 0.00 H new ATOM 526 N LYS A 37 -3.157 20.246 0.389 1.00 0.00 N ATOM 527 CA LYS A 37 -3.181 19.987 1.818 1.00 0.00 C ATOM 528 C LYS A 37 -4.008 18.729 2.091 1.00 0.00 C ATOM 529 O LYS A 37 -3.538 17.803 2.750 1.00 0.00 O ATOM 530 CB LYS A 37 -3.669 21.222 2.578 1.00 0.00 C ATOM 531 CG LYS A 37 -2.676 21.622 3.671 1.00 0.00 C ATOM 532 CD LYS A 37 -2.181 23.055 3.464 1.00 0.00 C ATOM 533 CE LYS A 37 -0.825 23.070 2.756 1.00 0.00 C ATOM 534 NZ LYS A 37 0.260 22.740 3.707 1.00 0.00 N ATOM 0 H LYS A 37 -3.233 21.230 0.132 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.174 19.792 2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.804 22.051 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.643 21.018 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.151 21.535 4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.829 20.936 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.909 23.613 2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.098 23.557 4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.828 22.352 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.647 24.053 2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.175 22.771 3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.262 23.430 4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.106 21.786 4.091 1.00 0.00 H new ATOM 548 N GLN A 38 -5.227 18.737 1.571 1.00 0.00 N ATOM 549 CA GLN A 38 -6.124 17.608 1.750 1.00 0.00 C ATOM 550 C GLN A 38 -5.592 16.383 1.004 1.00 0.00 C ATOM 551 O GLN A 38 -5.598 15.276 1.538 1.00 0.00 O ATOM 552 CB GLN A 38 -7.542 17.957 1.292 1.00 0.00 C ATOM 553 CG GLN A 38 -8.085 19.164 2.060 1.00 0.00 C ATOM 554 CD GLN A 38 -8.668 18.738 3.409 1.00 0.00 C ATOM 555 OE1 GLN A 38 -9.768 18.218 3.502 1.00 0.00 O ATOM 556 NE2 GLN A 38 -7.873 18.986 4.445 1.00 0.00 N ATOM 0 H GLN A 38 -5.614 19.507 1.026 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.169 17.370 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.540 18.172 0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.198 17.100 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.286 19.889 2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.854 19.661 1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.964 19.424 4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.172 18.738 5.388 1.00 0.00 H new ATOM 565 N MET A 39 -5.145 16.624 -0.220 1.00 0.00 N ATOM 566 CA MET A 39 -4.611 15.554 -1.045 1.00 0.00 C ATOM 567 C MET A 39 -3.445 14.852 -0.345 1.00 0.00 C ATOM 568 O MET A 39 -3.408 13.624 -0.274 1.00 0.00 O ATOM 569 CB MET A 39 -4.133 16.129 -2.380 1.00 0.00 C ATOM 570 CG MET A 39 -3.578 15.027 -3.285 1.00 0.00 C ATOM 571 SD MET A 39 -4.755 13.691 -3.411 1.00 0.00 S ATOM 572 CE MET A 39 -5.691 14.234 -4.830 1.00 0.00 C ATOM 0 H MET A 39 -5.142 17.544 -0.660 1.00 0.00 H new ATOM 0 HA MET A 39 -5.401 14.823 -1.216 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.960 16.633 -2.880 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.363 16.880 -2.202 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.366 15.430 -4.275 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.635 14.656 -2.883 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.725 13.905 -4.731 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.660 15.322 -4.891 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.260 13.807 -5.735 1.00 0.00 H new ATOM 582 N VAL A 40 -2.522 15.660 0.153 1.00 0.00 N ATOM 583 CA VAL A 40 -1.359 15.132 0.845 1.00 0.00 C ATOM 584 C VAL A 40 -1.817 14.315 2.054 1.00 0.00 C ATOM 585 O VAL A 40 -1.045 13.535 2.610 1.00 0.00 O ATOM 586 CB VAL A 40 -0.409 16.272 1.219 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.672 15.789 2.188 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.213 16.899 -0.030 1.00 0.00 C ATOM 0 H VAL A 40 -2.556 16.678 0.091 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.799 14.462 0.193 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.992 17.042 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.334 16.618 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.204 15.412 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.250 14.992 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.884 17.706 0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.775 16.141 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.576 17.297 -0.669 1.00 0.00 H new ATOM 598 N ALA A 41 -3.072 14.521 2.426 1.00 0.00 N ATOM 599 CA ALA A 41 -3.643 13.813 3.560 1.00 0.00 C ATOM 600 C ALA A 41 -4.475 12.634 3.052 1.00 0.00 C ATOM 601 O ALA A 41 -4.479 11.565 3.662 1.00 0.00 O ATOM 602 CB ALA A 41 -4.466 14.786 4.407 1.00 0.00 C ATOM 0 H ALA A 41 -3.710 15.168 1.962 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.856 13.411 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.894 14.256 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.823 15.589 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.268 15.207 3.801 1.00 0.00 H new ATOM 608 N ASN A 42 -5.159 12.867 1.942 1.00 0.00 N ATOM 609 CA ASN A 42 -5.992 11.837 1.346 1.00 0.00 C ATOM 610 C ASN A 42 -5.121 10.638 0.968 1.00 0.00 C ATOM 611 O ASN A 42 -5.539 9.491 1.119 1.00 0.00 O ATOM 612 CB ASN A 42 -6.673 12.347 0.074 1.00 0.00 C ATOM 613 CG ASN A 42 -7.931 11.535 -0.238 1.00 0.00 C ATOM 614 OD1 ASN A 42 -8.870 11.474 0.538 1.00 0.00 O ATOM 615 ND2 ASN A 42 -7.898 10.915 -1.414 1.00 0.00 N ATOM 0 H ASN A 42 -5.153 13.755 1.439 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.753 11.555 2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.935 13.398 0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.979 12.285 -0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.690 10.347 -1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.080 11.008 -2.017 1.00 0.00 H new ATOM 622 N VAL A 43 -3.926 10.944 0.483 1.00 0.00 N ATOM 623 CA VAL A 43 -2.993 9.905 0.083 1.00 0.00 C ATOM 624 C VAL A 43 -2.501 9.160 1.325 1.00 0.00 C ATOM 625 O VAL A 43 -2.266 7.953 1.278 1.00 0.00 O ATOM 626 CB VAL A 43 -1.855 10.513 -0.739 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.700 9.521 -0.894 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.357 10.988 -2.104 1.00 0.00 C ATOM 0 H VAL A 43 -3.583 11.896 0.358 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.487 9.175 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.480 11.383 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.096 9.978 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.316 9.253 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.056 8.624 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.528 11.416 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.772 10.143 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.130 11.744 -1.965 1.00 0.00 H new ATOM 638 N GLU A 44 -2.360 9.910 2.409 1.00 0.00 N ATOM 639 CA GLU A 44 -1.901 9.335 3.662 1.00 0.00 C ATOM 640 C GLU A 44 -2.843 8.216 4.110 1.00 0.00 C ATOM 641 O GLU A 44 -2.413 7.254 4.743 1.00 0.00 O ATOM 642 CB GLU A 44 -1.773 10.410 4.743 1.00 0.00 C ATOM 643 CG GLU A 44 -0.522 11.263 4.523 1.00 0.00 C ATOM 644 CD GLU A 44 0.392 11.222 5.750 1.00 0.00 C ATOM 645 OE1 GLU A 44 0.157 12.045 6.661 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.305 10.369 5.748 1.00 0.00 O ATOM 0 H GLU A 44 -2.556 10.910 2.445 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.911 8.907 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.658 11.047 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.729 9.940 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.020 10.902 3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.812 12.293 4.315 1.00 0.00 H new ATOM 653 N LYS A 45 -4.112 8.379 3.763 1.00 0.00 N ATOM 654 CA LYS A 45 -5.118 7.395 4.121 1.00 0.00 C ATOM 655 C LYS A 45 -4.991 6.182 3.197 1.00 0.00 C ATOM 656 O LYS A 45 -4.788 5.061 3.662 1.00 0.00 O ATOM 657 CB LYS A 45 -6.511 8.027 4.117 1.00 0.00 C ATOM 658 CG LYS A 45 -7.213 7.817 5.461 1.00 0.00 C ATOM 659 CD LYS A 45 -6.531 8.625 6.567 1.00 0.00 C ATOM 660 CE LYS A 45 -7.219 9.978 6.762 1.00 0.00 C ATOM 661 NZ LYS A 45 -7.795 10.075 8.122 1.00 0.00 N ATOM 0 H LYS A 45 -4.466 9.178 3.237 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.957 7.039 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.430 9.094 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.110 7.590 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.258 8.115 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.202 6.758 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.555 8.063 7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.482 8.780 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.501 10.783 6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.005 10.103 6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.258 10.999 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.495 9.318 8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.037 9.977 8.828 1.00 0.00 H new ATOM 675 N GLN A 46 -5.115 6.447 1.905 1.00 0.00 N ATOM 676 CA GLN A 46 -5.016 5.391 0.912 1.00 0.00 C ATOM 677 C GLN A 46 -3.710 4.615 1.090 1.00 0.00 C ATOM 678 O GLN A 46 -3.654 3.416 0.823 1.00 0.00 O ATOM 679 CB GLN A 46 -5.128 5.959 -0.505 1.00 0.00 C ATOM 680 CG GLN A 46 -6.491 6.617 -0.726 1.00 0.00 C ATOM 681 CD GLN A 46 -7.490 5.623 -1.321 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.688 5.547 -2.523 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.106 4.867 -0.417 1.00 0.00 N ATOM 0 H GLN A 46 -5.283 7.378 1.523 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.848 4.702 1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.336 6.690 -0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.983 5.161 -1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.872 6.998 0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.382 7.472 -1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.894 4.982 0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.791 4.172 -0.715 1.00 0.00 H new ATOM 692 N LEU A 47 -2.690 5.331 1.541 1.00 0.00 N ATOM 693 CA LEU A 47 -1.388 4.725 1.758 1.00 0.00 C ATOM 694 C LEU A 47 -1.485 3.713 2.902 1.00 0.00 C ATOM 695 O LEU A 47 -1.235 2.524 2.707 1.00 0.00 O ATOM 696 CB LEU A 47 -0.325 5.803 1.980 1.00 0.00 C ATOM 697 CG LEU A 47 0.309 6.390 0.717 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.233 7.560 1.060 1.00 0.00 C ATOM 699 CD2 LEU A 47 1.030 5.307 -0.089 1.00 0.00 C ATOM 0 H LEU A 47 -2.740 6.326 1.762 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.072 4.176 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.775 6.617 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.468 5.382 2.598 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.488 6.784 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.670 7.959 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.660 8.342 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.028 7.214 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.472 5.751 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.816 4.861 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.317 4.536 -0.382 1.00 0.00 H new ATOM 711 N GLU A 48 -1.849 4.221 4.070 1.00 0.00 N ATOM 712 CA GLU A 48 -1.983 3.377 5.245 1.00 0.00 C ATOM 713 C GLU A 48 -2.985 2.252 4.978 1.00 0.00 C ATOM 714 O GLU A 48 -2.847 1.153 5.514 1.00 0.00 O ATOM 715 CB GLU A 48 -2.395 4.200 6.467 1.00 0.00 C ATOM 716 CG GLU A 48 -3.863 4.623 6.374 1.00 0.00 C ATOM 717 CD GLU A 48 -4.388 5.084 7.735 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.988 6.192 8.152 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.178 4.317 8.327 1.00 0.00 O ATOM 0 H GLU A 48 -2.055 5.207 4.228 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.013 2.930 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.238 3.615 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.762 5.084 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.968 5.429 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.463 3.788 6.012 1.00 0.00 H new ATOM 726 N GLU A 49 -3.971 2.564 4.150 1.00 0.00 N ATOM 727 CA GLU A 49 -4.995 1.592 3.806 1.00 0.00 C ATOM 728 C GLU A 49 -4.387 0.444 2.998 1.00 0.00 C ATOM 729 O GLU A 49 -4.903 -0.673 3.016 1.00 0.00 O ATOM 730 CB GLU A 49 -6.143 2.254 3.040 1.00 0.00 C ATOM 731 CG GLU A 49 -6.887 3.256 3.925 1.00 0.00 C ATOM 732 CD GLU A 49 -8.356 2.861 4.085 1.00 0.00 C ATOM 733 OE1 GLU A 49 -8.594 1.674 4.394 1.00 0.00 O ATOM 734 OE2 GLU A 49 -9.208 3.756 3.895 1.00 0.00 O ATOM 0 H GLU A 49 -4.083 3.476 3.707 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.405 1.183 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.751 2.762 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.836 1.491 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.411 3.305 4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.820 4.252 3.488 1.00 0.00 H new ATOM 741 N ALA A 50 -3.300 0.758 2.309 1.00 0.00 N ATOM 742 CA ALA A 50 -2.617 -0.234 1.497 1.00 0.00 C ATOM 743 C ALA A 50 -1.570 -0.954 2.350 1.00 0.00 C ATOM 744 O ALA A 50 -1.273 -2.124 2.118 1.00 0.00 O ATOM 745 CB ALA A 50 -2.002 0.445 0.271 1.00 0.00 C ATOM 0 H ALA A 50 -2.875 1.685 2.296 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.321 -0.984 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.489 -0.299 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.789 0.916 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.288 1.203 0.594 1.00 0.00 H new ATOM 751 N ARG A 51 -1.041 -0.223 3.320 1.00 0.00 N ATOM 752 CA ARG A 51 -0.034 -0.777 4.210 1.00 0.00 C ATOM 753 C ARG A 51 -0.568 -2.034 4.899 1.00 0.00 C ATOM 754 O ARG A 51 0.123 -3.049 4.968 1.00 0.00 O ATOM 755 CB ARG A 51 0.381 0.242 5.273 1.00 0.00 C ATOM 756 CG ARG A 51 1.327 1.292 4.687 1.00 0.00 C ATOM 757 CD ARG A 51 2.504 1.557 5.628 1.00 0.00 C ATOM 758 NE ARG A 51 3.681 0.768 5.200 1.00 0.00 N ATOM 759 CZ ARG A 51 4.777 0.587 5.950 1.00 0.00 C ATOM 760 NH1 ARG A 51 4.853 1.138 7.169 1.00 0.00 N ATOM 761 NH2 ARG A 51 5.797 -0.144 5.480 1.00 0.00 N ATOM 0 H ARG A 51 -1.290 0.748 3.509 1.00 0.00 H new ATOM 0 HA ARG A 51 0.838 -1.032 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.505 0.731 5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.869 -0.270 6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.699 0.952 3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.782 2.219 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.748 2.619 5.628 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.230 1.293 6.649 1.00 0.00 H new ATOM 0 HE ARG A 51 3.656 0.335 4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.077 1.695 7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.687 1.000 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.739 -0.563 4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.631 -0.282 6.051 1.00 0.00 H new ATOM 775 N GLU A 52 -1.793 -1.925 5.391 1.00 0.00 N ATOM 776 CA GLU A 52 -2.428 -3.041 6.073 1.00 0.00 C ATOM 777 C GLU A 52 -2.608 -4.217 5.111 1.00 0.00 C ATOM 778 O GLU A 52 -2.490 -5.374 5.511 1.00 0.00 O ATOM 779 CB GLU A 52 -3.767 -2.621 6.682 1.00 0.00 C ATOM 780 CG GLU A 52 -4.770 -2.238 5.592 1.00 0.00 C ATOM 781 CD GLU A 52 -6.172 -2.055 6.176 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.254 -1.487 7.286 1.00 0.00 O ATOM 783 OE2 GLU A 52 -7.130 -2.487 5.499 1.00 0.00 O ATOM 0 H GLU A 52 -2.363 -1.081 5.331 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.779 -3.360 6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.170 -3.438 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.616 -1.777 7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.451 -1.315 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.790 -3.011 4.824 1.00 0.00 H new ATOM 790 N LEU A 53 -2.891 -3.880 3.861 1.00 0.00 N ATOM 791 CA LEU A 53 -3.088 -4.894 2.839 1.00 0.00 C ATOM 792 C LEU A 53 -1.874 -5.824 2.808 1.00 0.00 C ATOM 793 O LEU A 53 -2.006 -7.030 3.010 1.00 0.00 O ATOM 794 CB LEU A 53 -3.398 -4.242 1.490 1.00 0.00 C ATOM 795 CG LEU A 53 -4.856 -4.306 1.033 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.257 -3.027 0.295 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.113 -5.558 0.191 1.00 0.00 C ATOM 0 H LEU A 53 -2.989 -2.919 3.533 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.955 -5.510 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.099 -3.195 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.778 -4.716 0.729 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.488 -4.378 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.298 -3.099 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.137 -2.171 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.622 -2.898 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.157 -5.579 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.471 -5.542 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.894 -6.446 0.783 1.00 0.00 H new ATOM 809 N LEU A 54 -0.718 -5.228 2.554 1.00 0.00 N ATOM 810 CA LEU A 54 0.519 -5.988 2.494 1.00 0.00 C ATOM 811 C LEU A 54 0.618 -6.891 3.725 1.00 0.00 C ATOM 812 O LEU A 54 1.150 -7.997 3.647 1.00 0.00 O ATOM 813 CB LEU A 54 1.716 -5.050 2.322 1.00 0.00 C ATOM 814 CG LEU A 54 1.711 -4.182 1.062 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.136 -3.814 0.645 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.941 -4.863 -0.071 1.00 0.00 C ATOM 0 H LEU A 54 -0.612 -4.227 2.387 1.00 0.00 H new ATOM 0 HA LEU A 54 0.524 -6.639 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.766 -4.394 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.626 -5.650 2.322 1.00 0.00 H new ATOM 0 HG LEU A 54 1.191 -3.252 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.104 -3.197 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.619 -3.259 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.702 -4.723 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.953 -4.224 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.410 -5.818 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.090 -5.032 0.240 1.00 0.00 H new ATOM 828 N GLU A 55 0.096 -6.386 4.834 1.00 0.00 N ATOM 829 CA GLU A 55 0.118 -7.133 6.080 1.00 0.00 C ATOM 830 C GLU A 55 -0.766 -8.377 5.969 1.00 0.00 C ATOM 831 O GLU A 55 -0.308 -9.492 6.214 1.00 0.00 O ATOM 832 CB GLU A 55 -0.317 -6.254 7.254 1.00 0.00 C ATOM 833 CG GLU A 55 0.868 -5.935 8.168 1.00 0.00 C ATOM 834 CD GLU A 55 0.737 -6.660 9.509 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.363 -6.572 10.097 1.00 0.00 O ATOM 836 OE2 GLU A 55 1.739 -7.287 9.915 1.00 0.00 O ATOM 0 H GLU A 55 -0.345 -5.468 4.895 1.00 0.00 H new ATOM 0 HA GLU A 55 1.142 -7.455 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.751 -5.327 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.095 -6.762 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.797 -6.230 7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.923 -4.859 8.336 1.00 0.00 H new ATOM 843 N GLN A 56 -2.017 -8.144 5.599 1.00 0.00 N ATOM 844 CA GLN A 56 -2.969 -9.231 5.453 1.00 0.00 C ATOM 845 C GLN A 56 -2.529 -10.174 4.331 1.00 0.00 C ATOM 846 O GLN A 56 -2.592 -11.394 4.480 1.00 0.00 O ATOM 847 CB GLN A 56 -4.379 -8.695 5.198 1.00 0.00 C ATOM 848 CG GLN A 56 -4.977 -8.097 6.473 1.00 0.00 C ATOM 849 CD GLN A 56 -5.997 -9.050 7.100 1.00 0.00 C ATOM 850 OE1 GLN A 56 -7.199 -8.890 6.966 1.00 0.00 O ATOM 851 NE2 GLN A 56 -5.451 -10.049 7.789 1.00 0.00 N ATOM 0 H GLN A 56 -2.393 -7.218 5.396 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.994 -9.794 6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.348 -7.936 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.018 -9.500 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.182 -7.888 7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.457 -7.146 6.242 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.436 -10.124 7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.047 -10.740 8.245 1.00 0.00 H new ATOM 860 N MET A 57 -2.094 -9.574 3.234 1.00 0.00 N ATOM 861 CA MET A 57 -1.644 -10.345 2.087 1.00 0.00 C ATOM 862 C MET A 57 -0.483 -11.265 2.467 1.00 0.00 C ATOM 863 O MET A 57 -0.490 -12.450 2.134 1.00 0.00 O ATOM 864 CB MET A 57 -1.198 -9.393 0.975 1.00 0.00 C ATOM 865 CG MET A 57 -2.389 -8.619 0.406 1.00 0.00 C ATOM 866 SD MET A 57 -2.071 -8.170 -1.292 1.00 0.00 S ATOM 867 CE MET A 57 -1.445 -6.514 -1.063 1.00 0.00 C ATOM 0 H MET A 57 -2.043 -8.562 3.114 1.00 0.00 H new ATOM 0 HA MET A 57 -2.473 -10.961 1.739 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.458 -8.694 1.365 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.714 -9.959 0.179 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.291 -9.228 0.467 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.568 -7.723 1.000 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.220 -5.793 -1.323 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.155 -6.375 -0.021 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.577 -6.361 -1.705 1.00 0.00 H new ATOM 877 N ASP A 58 0.488 -10.687 3.159 1.00 0.00 N ATOM 878 CA ASP A 58 1.654 -11.440 3.588 1.00 0.00 C ATOM 879 C ASP A 58 1.246 -12.417 4.692 1.00 0.00 C ATOM 880 O ASP A 58 1.736 -13.544 4.741 1.00 0.00 O ATOM 881 CB ASP A 58 2.732 -10.513 4.151 1.00 0.00 C ATOM 882 CG ASP A 58 4.143 -11.104 4.178 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.293 -12.239 3.676 1.00 0.00 O ATOM 884 OD2 ASP A 58 5.040 -10.408 4.701 1.00 0.00 O ATOM 0 H ASP A 58 0.491 -9.705 3.433 1.00 0.00 H new ATOM 0 HA ASP A 58 2.051 -11.969 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.749 -9.598 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.453 -10.230 5.166 1.00 0.00 H new ATOM 889 N LEU A 59 0.353 -11.949 5.552 1.00 0.00 N ATOM 890 CA LEU A 59 -0.126 -12.768 6.653 1.00 0.00 C ATOM 891 C LEU A 59 -0.991 -13.902 6.101 1.00 0.00 C ATOM 892 O LEU A 59 -1.379 -14.807 6.838 1.00 0.00 O ATOM 893 CB LEU A 59 -0.839 -11.902 7.694 1.00 0.00 C ATOM 894 CG LEU A 59 0.065 -11.104 8.635 1.00 0.00 C ATOM 895 CD1 LEU A 59 -0.681 -9.907 9.229 1.00 0.00 C ATOM 896 CD2 LEU A 59 0.658 -12.005 9.720 1.00 0.00 C ATOM 0 H LEU A 59 -0.051 -11.014 5.509 1.00 0.00 H new ATOM 0 HA LEU A 59 0.711 -13.231 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.492 -11.204 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.479 -12.546 8.297 1.00 0.00 H new ATOM 0 HG LEU A 59 0.898 -10.708 8.054 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.015 -9.357 9.894 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.014 -9.251 8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.546 -10.260 9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.297 -11.413 10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.148 -12.450 10.304 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.248 -12.795 9.255 1.00 0.00 H new ATOM 908 N GLU A 60 -1.266 -13.818 4.808 1.00 0.00 N ATOM 909 CA GLU A 60 -2.078 -14.826 4.148 1.00 0.00 C ATOM 910 C GLU A 60 -1.202 -15.719 3.266 1.00 0.00 C ATOM 911 O GLU A 60 -1.218 -16.941 3.404 1.00 0.00 O ATOM 912 CB GLU A 60 -3.199 -14.180 3.332 1.00 0.00 C ATOM 913 CG GLU A 60 -4.290 -13.619 4.247 1.00 0.00 C ATOM 914 CD GLU A 60 -5.523 -14.524 4.250 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.376 -15.681 4.702 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.584 -14.040 3.801 1.00 0.00 O ATOM 0 H GLU A 60 -0.941 -13.067 4.199 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.543 -15.448 4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.790 -13.380 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.631 -14.916 2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.904 -13.522 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.569 -12.619 3.915 1.00 0.00 H new ATOM 923 N VAL A 61 -0.459 -15.073 2.380 1.00 0.00 N ATOM 924 CA VAL A 61 0.422 -15.793 1.475 1.00 0.00 C ATOM 925 C VAL A 61 1.218 -16.833 2.266 1.00 0.00 C ATOM 926 O VAL A 61 1.645 -17.845 1.712 1.00 0.00 O ATOM 927 CB VAL A 61 1.313 -14.807 0.718 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.723 -15.373 0.533 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.693 -14.430 -0.629 1.00 0.00 C ATOM 0 H VAL A 61 -0.448 -14.059 2.269 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.157 -16.330 0.724 1.00 0.00 H new ATOM 0 HB VAL A 61 1.392 -13.899 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.336 -14.652 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.168 -15.568 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.670 -16.303 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.347 -13.728 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.570 -15.327 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.280 -13.966 -0.465 1.00 0.00 H new ATOM 939 N ARG A 62 1.393 -16.548 3.548 1.00 0.00 N ATOM 940 CA ARG A 62 2.130 -17.446 4.420 1.00 0.00 C ATOM 941 C ARG A 62 1.468 -18.825 4.444 1.00 0.00 C ATOM 942 O ARG A 62 2.119 -19.835 4.178 1.00 0.00 O ATOM 943 CB ARG A 62 2.199 -16.896 5.846 1.00 0.00 C ATOM 944 CG ARG A 62 3.515 -16.155 6.086 1.00 0.00 C ATOM 945 CD ARG A 62 4.044 -16.418 7.497 1.00 0.00 C ATOM 946 NE ARG A 62 5.396 -17.016 7.428 1.00 0.00 N ATOM 947 CZ ARG A 62 6.016 -17.594 8.466 1.00 0.00 C ATOM 948 NH1 ARG A 62 5.409 -17.655 9.659 1.00 0.00 N ATOM 949 NH2 ARG A 62 7.242 -18.110 8.311 1.00 0.00 N ATOM 0 H ARG A 62 1.037 -15.708 4.004 1.00 0.00 H new ATOM 0 HA ARG A 62 3.143 -17.532 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.361 -16.221 6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.103 -17.714 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.255 -16.473 5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.365 -15.085 5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.078 -15.486 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.368 -17.088 8.029 1.00 0.00 H new ATOM 0 HE ARG A 62 5.887 -16.986 6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.475 -17.262 9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.881 -18.095 10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.704 -18.063 7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.714 -18.550 9.101 1.00 0.00 H new ATOM 963 N GLU A 63 0.183 -18.824 4.764 1.00 0.00 N ATOM 964 CA GLU A 63 -0.574 -20.062 4.826 1.00 0.00 C ATOM 965 C GLU A 63 -0.611 -20.731 3.450 1.00 0.00 C ATOM 966 O GLU A 63 -0.510 -21.953 3.347 1.00 0.00 O ATOM 967 CB GLU A 63 -1.989 -19.814 5.353 1.00 0.00 C ATOM 968 CG GLU A 63 -1.965 -19.450 6.839 1.00 0.00 C ATOM 969 CD GLU A 63 -2.874 -18.253 7.125 1.00 0.00 C ATOM 970 OE1 GLU A 63 -4.096 -18.403 6.904 1.00 0.00 O ATOM 971 OE2 GLU A 63 -2.328 -17.216 7.557 1.00 0.00 O ATOM 0 H GLU A 63 -0.354 -17.985 4.983 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.075 -20.735 5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.456 -19.009 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.598 -20.705 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.287 -20.306 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.945 -19.217 7.144 1.00 0.00 H new ATOM 978 N ILE A 64 -0.756 -19.901 2.428 1.00 0.00 N ATOM 979 CA ILE A 64 -0.807 -20.397 1.063 1.00 0.00 C ATOM 980 C ILE A 64 0.287 -21.448 0.865 1.00 0.00 C ATOM 981 O ILE A 64 1.391 -21.306 1.388 1.00 0.00 O ATOM 982 CB ILE A 64 -0.732 -19.237 0.068 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.893 -18.262 0.275 1.00 0.00 C ATOM 984 CG2 ILE A 64 -0.665 -19.751 -1.371 1.00 0.00 C ATOM 985 CD1 ILE A 64 -2.125 -17.412 -0.976 1.00 0.00 C ATOM 0 H ILE A 64 -0.840 -18.888 2.517 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.761 -20.889 0.873 1.00 0.00 H new ATOM 0 HB ILE A 64 0.190 -18.686 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.800 -18.817 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.681 -17.614 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.612 -18.906 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.221 -20.374 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.556 -20.340 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.955 -16.728 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.224 -16.840 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.361 -18.062 -1.819 1.00 0.00 H new ATOM 997 N PRO A 65 -0.067 -22.507 0.089 1.00 0.00 N ATOM 998 CA PRO A 65 0.872 -23.582 -0.184 1.00 0.00 C ATOM 999 C PRO A 65 1.925 -23.143 -1.203 1.00 0.00 C ATOM 1000 O PRO A 65 1.756 -22.130 -1.880 1.00 0.00 O ATOM 1001 CB PRO A 65 0.015 -24.737 -0.676 1.00 0.00 C ATOM 1002 CG PRO A 65 -1.309 -24.123 -1.101 1.00 0.00 C ATOM 1003 CD PRO A 65 -1.366 -22.709 -0.547 1.00 0.00 C ATOM 0 HA PRO A 65 1.444 -23.875 0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.493 -25.250 -1.510 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.132 -25.477 0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.393 -24.111 -2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.143 -24.715 -0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.537 -21.980 -1.339 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.179 -22.597 0.170 1.00 0.00 H new ATOM 1011 N PRO A 66 3.019 -23.948 -1.282 1.00 0.00 N ATOM 1012 CA PRO A 66 4.100 -23.654 -2.207 1.00 0.00 C ATOM 1013 C PRO A 66 3.701 -23.996 -3.644 1.00 0.00 C ATOM 1014 O PRO A 66 4.503 -23.854 -4.566 1.00 0.00 O ATOM 1015 CB PRO A 66 5.279 -24.472 -1.707 1.00 0.00 C ATOM 1016 CG PRO A 66 4.690 -25.545 -0.806 1.00 0.00 C ATOM 1017 CD PRO A 66 3.253 -25.156 -0.497 1.00 0.00 C ATOM 0 HA PRO A 66 4.352 -22.594 -2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.826 -24.917 -2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.984 -23.846 -1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.725 -26.518 -1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.269 -25.631 0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.559 -25.950 -0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.113 -24.969 0.568 1.00 0.00 H new ATOM 1025 N GLN A 67 2.461 -24.441 -3.790 1.00 0.00 N ATOM 1026 CA GLN A 67 1.946 -24.804 -5.099 1.00 0.00 C ATOM 1027 C GLN A 67 1.056 -23.687 -5.648 1.00 0.00 C ATOM 1028 O GLN A 67 0.767 -23.650 -6.843 1.00 0.00 O ATOM 1029 CB GLN A 67 1.187 -26.131 -5.041 1.00 0.00 C ATOM 1030 CG GLN A 67 2.035 -27.219 -4.378 1.00 0.00 C ATOM 1031 CD GLN A 67 3.048 -27.802 -5.366 1.00 0.00 C ATOM 1032 OE1 GLN A 67 2.730 -28.627 -6.206 1.00 0.00 O ATOM 1033 NE2 GLN A 67 4.282 -27.328 -5.218 1.00 0.00 N ATOM 0 H GLN A 67 1.798 -24.558 -3.023 1.00 0.00 H new ATOM 0 HA GLN A 67 2.790 -24.935 -5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.259 -25.999 -4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.913 -26.442 -6.049 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.559 -26.803 -3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.388 -28.012 -4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.480 -26.638 -4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.031 -27.655 -5.829 1.00 0.00 H new ATOM 1042 N SER A 68 0.647 -22.804 -4.749 1.00 0.00 N ATOM 1043 CA SER A 68 -0.204 -21.690 -5.129 1.00 0.00 C ATOM 1044 C SER A 68 0.532 -20.368 -4.900 1.00 0.00 C ATOM 1045 O SER A 68 0.350 -19.413 -5.654 1.00 0.00 O ATOM 1046 CB SER A 68 -1.518 -21.708 -4.346 1.00 0.00 C ATOM 1047 OG SER A 68 -2.393 -20.656 -4.745 1.00 0.00 O ATOM 0 H SER A 68 0.889 -22.838 -3.759 1.00 0.00 H new ATOM 0 HA SER A 68 -0.442 -21.788 -6.188 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.014 -22.667 -4.493 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.306 -21.619 -3.281 1.00 0.00 H new ATOM 0 HG SER A 68 -3.221 -20.703 -4.223 1.00 0.00 H new ATOM 1053 N ARG A 69 1.347 -20.354 -3.856 1.00 0.00 N ATOM 1054 CA ARG A 69 2.111 -19.166 -3.518 1.00 0.00 C ATOM 1055 C ARG A 69 2.633 -18.491 -4.788 1.00 0.00 C ATOM 1056 O ARG A 69 2.823 -17.276 -4.817 1.00 0.00 O ATOM 1057 CB ARG A 69 3.293 -19.510 -2.609 1.00 0.00 C ATOM 1058 CG ARG A 69 3.560 -18.385 -1.607 1.00 0.00 C ATOM 1059 CD ARG A 69 5.047 -18.304 -1.257 1.00 0.00 C ATOM 1060 NE ARG A 69 5.278 -17.220 -0.277 1.00 0.00 N ATOM 1061 CZ ARG A 69 6.317 -17.180 0.569 1.00 0.00 C ATOM 1062 NH1 ARG A 69 7.226 -18.164 0.560 1.00 0.00 N ATOM 1063 NH2 ARG A 69 6.446 -16.156 1.424 1.00 0.00 N ATOM 0 H ARG A 69 1.495 -21.148 -3.232 1.00 0.00 H new ATOM 0 HA ARG A 69 1.446 -18.485 -2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.087 -20.437 -2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.183 -19.682 -3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.229 -17.434 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.978 -18.554 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.385 -19.255 -0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.632 -18.121 -2.158 1.00 0.00 H new ATOM 0 HE ARG A 69 4.604 -16.455 -0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.127 -18.943 -0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.017 -18.134 1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.754 -15.407 1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.237 -16.126 2.068 1.00 0.00 H new ATOM 1077 N GLY A 70 2.851 -19.309 -5.807 1.00 0.00 N ATOM 1078 CA GLY A 70 3.347 -18.807 -7.077 1.00 0.00 C ATOM 1079 C GLY A 70 2.777 -17.420 -7.379 1.00 0.00 C ATOM 1080 O GLY A 70 1.679 -17.086 -6.936 1.00 0.00 O ATOM 0 H GLY A 70 2.693 -20.316 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.436 -18.759 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.076 -19.497 -7.876 1.00 0.00 H new ATOM 1084 N MET A 71 3.550 -16.648 -8.129 1.00 0.00 N ATOM 1085 CA MET A 71 3.136 -15.304 -8.495 1.00 0.00 C ATOM 1086 C MET A 71 3.014 -14.412 -7.258 1.00 0.00 C ATOM 1087 O MET A 71 3.778 -13.462 -7.096 1.00 0.00 O ATOM 1088 CB MET A 71 1.787 -15.364 -9.216 1.00 0.00 C ATOM 1089 CG MET A 71 1.951 -15.895 -10.642 1.00 0.00 C ATOM 1090 SD MET A 71 1.779 -14.560 -11.814 1.00 0.00 S ATOM 1091 CE MET A 71 1.475 -15.494 -13.305 1.00 0.00 C ATOM 0 H MET A 71 4.461 -16.928 -8.493 1.00 0.00 H new ATOM 0 HA MET A 71 3.892 -14.878 -9.154 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.102 -16.006 -8.662 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.341 -14.370 -9.243 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.928 -16.364 -10.754 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.204 -16.663 -10.841 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.343 -14.809 -14.143 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.323 -16.150 -13.502 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.573 -16.094 -13.181 1.00 0.00 H new ATOM 1101 N TYR A 72 2.048 -14.750 -6.417 1.00 0.00 N ATOM 1102 CA TYR A 72 1.817 -13.991 -5.199 1.00 0.00 C ATOM 1103 C TYR A 72 3.139 -13.556 -4.565 1.00 0.00 C ATOM 1104 O TYR A 72 3.293 -12.401 -4.172 1.00 0.00 O ATOM 1105 CB TYR A 72 1.094 -14.941 -4.242 1.00 0.00 C ATOM 1106 CG TYR A 72 0.010 -14.267 -3.398 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.175 -12.963 -2.977 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -1.132 -14.963 -3.057 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.845 -12.328 -2.182 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -2.152 -14.329 -2.263 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.958 -13.043 -1.864 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.921 -12.444 -1.114 1.00 0.00 O ATOM 0 H TYR A 72 1.416 -15.539 -6.554 1.00 0.00 H new ATOM 0 HA TYR A 72 1.240 -13.091 -5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.642 -15.747 -4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.827 -15.398 -3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.069 -12.419 -3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.261 -15.984 -3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.729 -11.308 -1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.051 -14.862 -1.990 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.451 -11.845 -1.680 1.00 0.00 H new ATOM 1122 N SER A 73 4.061 -14.504 -4.486 1.00 0.00 N ATOM 1123 CA SER A 73 5.366 -14.233 -3.906 1.00 0.00 C ATOM 1124 C SER A 73 6.094 -13.170 -4.730 1.00 0.00 C ATOM 1125 O SER A 73 6.569 -12.175 -4.186 1.00 0.00 O ATOM 1126 CB SER A 73 6.207 -15.508 -3.822 1.00 0.00 C ATOM 1127 OG SER A 73 7.495 -15.263 -3.265 1.00 0.00 O ATOM 0 H SER A 73 3.931 -15.461 -4.814 1.00 0.00 H new ATOM 0 HA SER A 73 5.219 -13.860 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.684 -16.247 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.318 -15.935 -4.819 1.00 0.00 H new ATOM 0 HG SER A 73 8.000 -16.102 -3.227 1.00 0.00 H new ATOM 1133 N ASN A 74 6.159 -13.417 -6.031 1.00 0.00 N ATOM 1134 CA ASN A 74 6.821 -12.493 -6.935 1.00 0.00 C ATOM 1135 C ASN A 74 6.171 -11.113 -6.814 1.00 0.00 C ATOM 1136 O ASN A 74 6.863 -10.096 -6.806 1.00 0.00 O ATOM 1137 CB ASN A 74 6.687 -12.953 -8.388 1.00 0.00 C ATOM 1138 CG ASN A 74 8.061 -13.128 -9.038 1.00 0.00 C ATOM 1139 OD1 ASN A 74 9.012 -12.426 -8.736 1.00 0.00 O ATOM 1140 ND2 ASN A 74 8.111 -14.100 -9.943 1.00 0.00 N ATOM 0 H ASN A 74 5.764 -14.244 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 74 7.876 -12.455 -6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.141 -13.895 -8.426 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.105 -12.224 -8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.984 -14.296 -10.433 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.277 -14.650 -10.148 1.00 0.00 H new ATOM 1147 N ARG A 75 4.849 -11.123 -6.724 1.00 0.00 N ATOM 1148 CA ARG A 75 4.098 -9.885 -6.603 1.00 0.00 C ATOM 1149 C ARG A 75 4.310 -9.267 -5.220 1.00 0.00 C ATOM 1150 O ARG A 75 4.449 -8.052 -5.093 1.00 0.00 O ATOM 1151 CB ARG A 75 2.603 -10.124 -6.824 1.00 0.00 C ATOM 1152 CG ARG A 75 2.304 -10.399 -8.299 1.00 0.00 C ATOM 1153 CD ARG A 75 0.796 -10.435 -8.555 1.00 0.00 C ATOM 1154 NE ARG A 75 0.511 -11.195 -9.793 1.00 0.00 N ATOM 1155 CZ ARG A 75 0.578 -10.675 -11.026 1.00 0.00 C ATOM 1156 NH1 ARG A 75 0.920 -9.391 -11.194 1.00 0.00 N ATOM 1157 NH2 ARG A 75 0.302 -11.440 -12.091 1.00 0.00 N ATOM 0 H ARG A 75 4.279 -11.969 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 75 4.462 -9.201 -7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.273 -10.968 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.039 -9.253 -6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.763 -9.627 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.749 -11.349 -8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.286 -10.897 -7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.410 -9.420 -8.645 1.00 0.00 H new ATOM 0 HE ARG A 75 0.247 -12.176 -9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.130 -8.809 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.971 -8.995 -12.133 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.041 -12.418 -11.963 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.353 -11.045 -13.030 1.00 0.00 H new ATOM 1171 N MET A 76 4.329 -10.134 -4.217 1.00 0.00 N ATOM 1172 CA MET A 76 4.522 -9.689 -2.847 1.00 0.00 C ATOM 1173 C MET A 76 5.703 -8.721 -2.746 1.00 0.00 C ATOM 1174 O MET A 76 5.611 -7.692 -2.079 1.00 0.00 O ATOM 1175 CB MET A 76 4.775 -10.900 -1.948 1.00 0.00 C ATOM 1176 CG MET A 76 3.489 -11.341 -1.246 1.00 0.00 C ATOM 1177 SD MET A 76 3.396 -10.605 0.377 1.00 0.00 S ATOM 1178 CE MET A 76 2.002 -9.515 0.144 1.00 0.00 C ATOM 0 H MET A 76 4.214 -11.142 -4.326 1.00 0.00 H new ATOM 0 HA MET A 76 3.621 -9.168 -2.524 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.169 -11.723 -2.544 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.533 -10.653 -1.205 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.622 -11.046 -1.838 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.464 -12.428 -1.163 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.572 -9.263 1.113 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.332 -8.604 -0.355 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.250 -10.012 -0.469 1.00 0.00 H new ATOM 1188 N ARG A 77 6.785 -9.087 -3.418 1.00 0.00 N ATOM 1189 CA ARG A 77 7.983 -8.264 -3.412 1.00 0.00 C ATOM 1190 C ARG A 77 7.768 -7.007 -4.257 1.00 0.00 C ATOM 1191 O ARG A 77 7.878 -5.890 -3.753 1.00 0.00 O ATOM 1192 CB ARG A 77 9.185 -9.037 -3.957 1.00 0.00 C ATOM 1193 CG ARG A 77 9.885 -9.820 -2.844 1.00 0.00 C ATOM 1194 CD ARG A 77 10.819 -8.913 -2.041 1.00 0.00 C ATOM 1195 NE ARG A 77 11.469 -9.686 -0.959 1.00 0.00 N ATOM 1196 CZ ARG A 77 12.627 -9.342 -0.381 1.00 0.00 C ATOM 1197 NH1 ARG A 77 13.271 -8.236 -0.777 1.00 0.00 N ATOM 1198 NH2 ARG A 77 13.142 -10.104 0.594 1.00 0.00 N ATOM 0 H ARG A 77 6.857 -9.942 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 77 8.185 -7.981 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.857 -9.723 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.889 -8.344 -4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.141 -10.260 -2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 77 10.454 -10.643 -3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.576 -8.484 -2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.256 -8.081 -1.617 1.00 0.00 H new ATOM 0 HE ARG A 77 11.006 -10.534 -0.633 1.00 0.00 H new ATOM 0 HH11 ARG A 77 12.879 -7.656 -1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.153 -7.974 -0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.652 -10.946 0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.024 -9.842 1.034 1.00 0.00 H new ATOM 1212 N SER A 78 7.464 -7.231 -5.527 1.00 0.00 N ATOM 1213 CA SER A 78 7.232 -6.130 -6.446 1.00 0.00 C ATOM 1214 C SER A 78 6.388 -5.050 -5.767 1.00 0.00 C ATOM 1215 O SER A 78 6.686 -3.862 -5.880 1.00 0.00 O ATOM 1216 CB SER A 78 6.546 -6.616 -7.724 1.00 0.00 C ATOM 1217 OG SER A 78 5.183 -6.966 -7.498 1.00 0.00 O ATOM 0 H SER A 78 7.373 -8.159 -5.941 1.00 0.00 H new ATOM 0 HA SER A 78 8.197 -5.706 -6.723 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.599 -5.836 -8.483 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.082 -7.480 -8.117 1.00 0.00 H new ATOM 0 HG SER A 78 5.086 -7.340 -6.597 1.00 0.00 H new ATOM 1223 N TYR A 79 5.351 -5.501 -5.077 1.00 0.00 N ATOM 1224 CA TYR A 79 4.462 -4.588 -4.380 1.00 0.00 C ATOM 1225 C TYR A 79 5.241 -3.697 -3.410 1.00 0.00 C ATOM 1226 O TYR A 79 5.259 -2.477 -3.562 1.00 0.00 O ATOM 1227 CB TYR A 79 3.496 -5.467 -3.582 1.00 0.00 C ATOM 1228 CG TYR A 79 2.303 -5.976 -4.393 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.665 -5.136 -5.283 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.864 -7.275 -4.235 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.542 -5.614 -6.047 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.741 -7.753 -4.999 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.135 -6.900 -5.867 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.925 -7.352 -6.588 1.00 0.00 O ATOM 0 H TYR A 79 5.107 -6.487 -4.986 1.00 0.00 H new ATOM 0 HA TYR A 79 3.948 -3.937 -5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.043 -6.322 -3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.126 -4.900 -2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.008 -4.119 -5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.363 -7.933 -3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.034 -4.967 -6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.388 -8.767 -4.885 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.691 -8.202 -7.015 1.00 0.00 H new ATOM 1244 N LYS A 80 5.865 -4.342 -2.436 1.00 0.00 N ATOM 1245 CA LYS A 80 6.644 -3.623 -1.442 1.00 0.00 C ATOM 1246 C LYS A 80 7.476 -2.543 -2.136 1.00 0.00 C ATOM 1247 O LYS A 80 7.479 -1.388 -1.711 1.00 0.00 O ATOM 1248 CB LYS A 80 7.475 -4.597 -0.605 1.00 0.00 C ATOM 1249 CG LYS A 80 6.743 -4.977 0.684 1.00 0.00 C ATOM 1250 CD LYS A 80 6.451 -6.478 0.727 1.00 0.00 C ATOM 1251 CE LYS A 80 5.802 -6.872 2.055 1.00 0.00 C ATOM 1252 NZ LYS A 80 6.237 -8.227 2.463 1.00 0.00 N ATOM 0 H LYS A 80 5.847 -5.354 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 80 5.986 -3.115 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.684 -5.495 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.436 -4.144 -0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.348 -4.696 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.809 -4.419 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.792 -6.748 -0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.377 -7.036 0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.071 -6.150 2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.717 -6.846 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.787 -8.479 3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.959 -8.915 1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.271 -8.241 2.575 1.00 0.00 H new ATOM 1266 N GLN A 81 8.162 -2.956 -3.191 1.00 0.00 N ATOM 1267 CA GLN A 81 8.996 -2.039 -3.948 1.00 0.00 C ATOM 1268 C GLN A 81 8.256 -0.721 -4.185 1.00 0.00 C ATOM 1269 O GLN A 81 8.770 0.350 -3.865 1.00 0.00 O ATOM 1270 CB GLN A 81 9.439 -2.665 -5.272 1.00 0.00 C ATOM 1271 CG GLN A 81 10.947 -2.927 -5.277 1.00 0.00 C ATOM 1272 CD GLN A 81 11.732 -1.616 -5.192 1.00 0.00 C ATOM 1273 OE1 GLN A 81 11.253 -0.552 -5.548 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.960 -1.753 -4.700 1.00 0.00 N ATOM 0 H GLN A 81 8.157 -3.915 -3.540 1.00 0.00 H new ATOM 0 HA GLN A 81 9.893 -1.830 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.903 -3.600 -5.433 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.179 -2.002 -6.097 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.211 -3.568 -4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.224 -3.462 -6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.298 -2.674 -4.421 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.564 -0.937 -4.601 1.00 0.00 H new ATOM 1283 N GLU A 82 7.061 -0.843 -4.744 1.00 0.00 N ATOM 1284 CA GLU A 82 6.245 0.325 -5.028 1.00 0.00 C ATOM 1285 C GLU A 82 5.762 0.965 -3.725 1.00 0.00 C ATOM 1286 O GLU A 82 6.047 2.132 -3.459 1.00 0.00 O ATOM 1287 CB GLU A 82 5.064 -0.037 -5.931 1.00 0.00 C ATOM 1288 CG GLU A 82 4.288 1.214 -6.347 1.00 0.00 C ATOM 1289 CD GLU A 82 4.192 1.319 -7.870 1.00 0.00 C ATOM 1290 OE1 GLU A 82 5.204 0.988 -8.526 1.00 0.00 O ATOM 1291 OE2 GLU A 82 3.111 1.728 -8.344 1.00 0.00 O ATOM 0 H GLU A 82 6.638 -1.733 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 82 6.859 1.051 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.426 -0.556 -6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.399 -0.725 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.287 1.185 -5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.780 2.101 -5.948 1.00 0.00 H new ATOM 1298 N MET A 83 5.039 0.173 -2.946 1.00 0.00 N ATOM 1299 CA MET A 83 4.515 0.647 -1.677 1.00 0.00 C ATOM 1300 C MET A 83 5.527 1.548 -0.967 1.00 0.00 C ATOM 1301 O MET A 83 5.263 2.727 -0.740 1.00 0.00 O ATOM 1302 CB MET A 83 4.180 -0.549 -0.784 1.00 0.00 C ATOM 1303 CG MET A 83 2.813 -0.371 -0.119 1.00 0.00 C ATOM 1304 SD MET A 83 2.983 0.584 1.380 1.00 0.00 S ATOM 1305 CE MET A 83 1.667 1.767 1.145 1.00 0.00 C ATOM 0 H MET A 83 4.804 -0.794 -3.170 1.00 0.00 H new ATOM 0 HA MET A 83 3.614 1.229 -1.872 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.183 -1.463 -1.378 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.948 -0.663 -0.019 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.129 0.130 -0.804 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.380 -1.345 0.108 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.928 2.704 1.638 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.524 1.945 0.079 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.745 1.375 1.574 1.00 0.00 H new ATOM 1315 N GLY A 84 6.666 0.957 -0.635 1.00 0.00 N ATOM 1316 CA GLY A 84 7.720 1.691 0.044 1.00 0.00 C ATOM 1317 C GLY A 84 8.097 2.954 -0.732 1.00 0.00 C ATOM 1318 O GLY A 84 8.386 3.990 -0.136 1.00 0.00 O ATOM 0 H GLY A 84 6.882 -0.022 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.391 1.961 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.597 1.054 0.157 1.00 0.00 H new ATOM 1322 N LYS A 85 8.083 2.825 -2.051 1.00 0.00 N ATOM 1323 CA LYS A 85 8.420 3.943 -2.915 1.00 0.00 C ATOM 1324 C LYS A 85 7.327 5.009 -2.813 1.00 0.00 C ATOM 1325 O LYS A 85 7.620 6.204 -2.798 1.00 0.00 O ATOM 1326 CB LYS A 85 8.675 3.459 -4.344 1.00 0.00 C ATOM 1327 CG LYS A 85 8.816 4.639 -5.307 1.00 0.00 C ATOM 1328 CD LYS A 85 9.423 4.191 -6.638 1.00 0.00 C ATOM 1329 CE LYS A 85 8.430 4.384 -7.786 1.00 0.00 C ATOM 1330 NZ LYS A 85 8.867 5.487 -8.670 1.00 0.00 N ATOM 0 H LYS A 85 7.844 1.963 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 85 9.351 4.408 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.581 2.854 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.854 2.818 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.839 5.089 -5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.445 5.407 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.331 4.761 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.712 3.142 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.346 3.462 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.440 4.602 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.182 5.604 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.925 6.369 -8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.802 5.264 -9.067 1.00 0.00 H new ATOM 1344 N LEU A 86 6.091 4.538 -2.746 1.00 0.00 N ATOM 1345 CA LEU A 86 4.952 5.436 -2.646 1.00 0.00 C ATOM 1346 C LEU A 86 5.152 6.375 -1.454 1.00 0.00 C ATOM 1347 O LEU A 86 4.657 7.501 -1.457 1.00 0.00 O ATOM 1348 CB LEU A 86 3.646 4.641 -2.590 1.00 0.00 C ATOM 1349 CG LEU A 86 2.968 4.371 -3.935 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.046 3.153 -3.849 1.00 0.00 C ATOM 1351 CD2 LEU A 86 2.230 5.614 -4.436 1.00 0.00 C ATOM 0 H LEU A 86 5.853 3.546 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 86 4.880 6.061 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.846 3.684 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.944 5.178 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 86 3.741 4.139 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.577 2.983 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.628 2.275 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.276 3.332 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.757 5.395 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.468 5.901 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.939 6.433 -4.560 1.00 0.00 H new ATOM 1363 N GLU A 87 5.878 5.876 -0.465 1.00 0.00 N ATOM 1364 CA GLU A 87 6.150 6.657 0.731 1.00 0.00 C ATOM 1365 C GLU A 87 7.114 7.801 0.411 1.00 0.00 C ATOM 1366 O GLU A 87 6.956 8.910 0.917 1.00 0.00 O ATOM 1367 CB GLU A 87 6.702 5.771 1.850 1.00 0.00 C ATOM 1368 CG GLU A 87 5.645 5.530 2.930 1.00 0.00 C ATOM 1369 CD GLU A 87 6.250 5.665 4.329 1.00 0.00 C ATOM 1370 OE1 GLU A 87 6.800 4.650 4.809 1.00 0.00 O ATOM 1371 OE2 GLU A 87 6.149 6.779 4.886 1.00 0.00 O ATOM 0 H GLU A 87 6.286 4.941 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 87 5.212 7.087 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.028 4.817 1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.579 6.243 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.830 6.244 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.217 4.535 2.809 1.00 0.00 H new ATOM 1378 N THR A 88 8.091 7.491 -0.429 1.00 0.00 N ATOM 1379 CA THR A 88 9.081 8.479 -0.823 1.00 0.00 C ATOM 1380 C THR A 88 8.474 9.477 -1.811 1.00 0.00 C ATOM 1381 O THR A 88 8.342 10.661 -1.502 1.00 0.00 O ATOM 1382 CB THR A 88 10.296 7.735 -1.380 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.983 7.275 -0.219 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.297 8.674 -2.057 1.00 0.00 C ATOM 0 H THR A 88 8.218 6.570 -0.848 1.00 0.00 H new ATOM 0 HA THR A 88 9.409 9.073 0.030 1.00 0.00 H new ATOM 0 HB THR A 88 9.964 6.981 -2.094 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.785 6.779 -0.488 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.140 8.096 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.810 9.189 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.655 9.407 -1.334 1.00 0.00 H new ATOM 1392 N ASP A 89 8.120 8.963 -2.980 1.00 0.00 N ATOM 1393 CA ASP A 89 7.530 9.795 -4.015 1.00 0.00 C ATOM 1394 C ASP A 89 6.513 10.746 -3.382 1.00 0.00 C ATOM 1395 O ASP A 89 6.536 11.948 -3.642 1.00 0.00 O ATOM 1396 CB ASP A 89 6.798 8.943 -5.055 1.00 0.00 C ATOM 1397 CG ASP A 89 7.110 9.291 -6.511 1.00 0.00 C ATOM 1398 OD1 ASP A 89 7.749 10.345 -6.719 1.00 0.00 O ATOM 1399 OD2 ASP A 89 6.702 8.496 -7.385 1.00 0.00 O ATOM 0 H ASP A 89 8.230 7.981 -3.233 1.00 0.00 H new ATOM 0 HA ASP A 89 8.333 10.348 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.048 7.896 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.725 9.044 -4.895 1.00 0.00 H new ATOM 1404 N PHE A 90 5.645 10.172 -2.562 1.00 0.00 N ATOM 1405 CA PHE A 90 4.621 10.954 -1.889 1.00 0.00 C ATOM 1406 C PHE A 90 5.231 12.175 -1.198 1.00 0.00 C ATOM 1407 O PHE A 90 4.685 13.275 -1.278 1.00 0.00 O ATOM 1408 CB PHE A 90 3.988 10.047 -0.832 1.00 0.00 C ATOM 1409 CG PHE A 90 3.129 10.791 0.192 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.404 11.877 -0.189 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.089 10.366 1.483 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.607 12.567 0.761 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.291 11.056 2.434 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.567 12.142 2.053 1.00 0.00 C ATOM 0 H PHE A 90 5.629 9.175 -2.348 1.00 0.00 H new ATOM 0 HA PHE A 90 3.887 11.308 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.373 9.298 -1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.779 9.511 -0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.435 12.214 -1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.664 9.503 1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.032 13.430 0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.259 10.718 3.459 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.960 12.667 2.776 1.00 0.00 H new ATOM 1424 N LYS A 91 6.353 11.941 -0.534 1.00 0.00 N ATOM 1425 CA LYS A 91 7.042 13.008 0.171 1.00 0.00 C ATOM 1426 C LYS A 91 7.776 13.891 -0.841 1.00 0.00 C ATOM 1427 O LYS A 91 7.935 15.091 -0.622 1.00 0.00 O ATOM 1428 CB LYS A 91 7.952 12.432 1.258 1.00 0.00 C ATOM 1429 CG LYS A 91 9.072 13.413 1.611 1.00 0.00 C ATOM 1430 CD LYS A 91 10.061 12.784 2.595 1.00 0.00 C ATOM 1431 CE LYS A 91 11.502 13.143 2.229 1.00 0.00 C ATOM 1432 NZ LYS A 91 12.456 12.347 3.034 1.00 0.00 N ATOM 0 H LYS A 91 6.802 11.028 -0.469 1.00 0.00 H new ATOM 0 HA LYS A 91 6.326 13.645 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.365 12.209 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.382 11.491 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.597 13.713 0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.645 14.317 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.842 13.128 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.941 11.701 2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.670 12.959 1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.672 14.206 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.429 12.604 2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.306 12.543 4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.304 11.334 2.851 1.00 0.00 H new ATOM 1446 N ARG A 92 8.203 13.263 -1.927 1.00 0.00 N ATOM 1447 CA ARG A 92 8.915 13.977 -2.972 1.00 0.00 C ATOM 1448 C ARG A 92 7.928 14.712 -3.882 1.00 0.00 C ATOM 1449 O ARG A 92 8.325 15.307 -4.882 1.00 0.00 O ATOM 1450 CB ARG A 92 9.759 13.020 -3.816 1.00 0.00 C ATOM 1451 CG ARG A 92 11.069 12.673 -3.106 1.00 0.00 C ATOM 1452 CD ARG A 92 11.987 11.855 -4.017 1.00 0.00 C ATOM 1453 NE ARG A 92 12.985 12.741 -4.657 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.646 12.439 -5.783 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.419 11.271 -6.400 1.00 0.00 N ATOM 1456 NH2 ARG A 92 14.534 13.304 -6.291 1.00 0.00 N ATOM 0 H ARG A 92 8.069 12.268 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 92 9.575 14.698 -2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.195 12.108 -4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.975 13.475 -4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.575 13.589 -2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.856 12.109 -2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.493 11.082 -3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.397 11.347 -4.780 1.00 0.00 H new ATOM 0 HE ARG A 92 13.182 13.638 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.743 10.612 -6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.922 11.041 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.707 14.192 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.037 13.074 -7.148 1.00 0.00 H new ATOM 1470 N SER A 93 6.661 14.645 -3.501 1.00 0.00 N ATOM 1471 CA SER A 93 5.613 15.297 -4.269 1.00 0.00 C ATOM 1472 C SER A 93 5.039 16.473 -3.478 1.00 0.00 C ATOM 1473 O SER A 93 4.831 17.554 -4.028 1.00 0.00 O ATOM 1474 CB SER A 93 4.503 14.310 -4.634 1.00 0.00 C ATOM 1475 OG SER A 93 4.661 13.791 -5.952 1.00 0.00 O ATOM 0 H SER A 93 6.336 14.149 -2.671 1.00 0.00 H new ATOM 0 HA SER A 93 6.050 15.670 -5.196 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.500 13.488 -3.919 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.536 14.806 -4.553 1.00 0.00 H new ATOM 0 HG SER A 93 3.809 13.852 -6.432 1.00 0.00 H new ATOM 1481 N ARG A 94 4.797 16.224 -2.199 1.00 0.00 N ATOM 1482 CA ARG A 94 4.250 17.249 -1.327 1.00 0.00 C ATOM 1483 C ARG A 94 5.289 18.345 -1.079 1.00 0.00 C ATOM 1484 O ARG A 94 4.935 19.502 -0.860 1.00 0.00 O ATOM 1485 CB ARG A 94 3.815 16.656 0.015 1.00 0.00 C ATOM 1486 CG ARG A 94 5.014 16.091 0.780 1.00 0.00 C ATOM 1487 CD ARG A 94 4.564 15.382 2.058 1.00 0.00 C ATOM 1488 NE ARG A 94 5.677 15.342 3.033 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.522 15.088 4.340 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.300 14.850 4.836 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.589 15.072 5.150 1.00 0.00 N ATOM 0 H ARG A 94 4.970 15.327 -1.746 1.00 0.00 H new ATOM 0 HA ARG A 94 3.378 17.675 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.326 17.424 0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.082 15.867 -0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.559 15.392 0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.703 16.898 1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.709 15.902 2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.237 14.369 1.826 1.00 0.00 H new ATOM 0 HE ARG A 94 6.621 15.519 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.488 14.862 4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.182 14.657 5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.519 15.253 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.471 14.879 6.145 1.00 0.00 H new ATOM 1505 N ILE A 95 6.550 17.941 -1.122 1.00 0.00 N ATOM 1506 CA ILE A 95 7.643 18.874 -0.905 1.00 0.00 C ATOM 1507 C ILE A 95 7.606 19.955 -1.987 1.00 0.00 C ATOM 1508 O ILE A 95 8.254 20.993 -1.854 1.00 0.00 O ATOM 1509 CB ILE A 95 8.976 18.128 -0.826 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.256 17.365 -2.122 1.00 0.00 C ATOM 1511 CG2 ILE A 95 9.021 17.213 0.399 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.722 16.933 -2.199 1.00 0.00 C ATOM 0 H ILE A 95 6.839 16.980 -1.304 1.00 0.00 H new ATOM 0 HA ILE A 95 7.529 19.378 0.055 1.00 0.00 H new ATOM 0 HB ILE A 95 9.772 18.864 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.611 16.488 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.013 17.994 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.979 16.695 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.901 17.810 1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.215 16.482 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.894 16.393 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.363 17.814 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.955 16.284 -1.355 1.00 0.00 H new ATOM 1524 N ALA A 96 6.843 19.676 -3.033 1.00 0.00 N ATOM 1525 CA ALA A 96 6.713 20.612 -4.137 1.00 0.00 C ATOM 1526 C ALA A 96 5.993 21.871 -3.650 1.00 0.00 C ATOM 1527 O ALA A 96 4.976 21.782 -2.964 1.00 0.00 O ATOM 1528 CB ALA A 96 5.983 19.934 -5.298 1.00 0.00 C ATOM 0 H ALA A 96 6.308 18.814 -3.140 1.00 0.00 H new ATOM 0 HA ALA A 96 7.695 20.914 -4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.885 20.636 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.551 19.063 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.992 19.619 -4.971 1.00 0.00 H new ATOM 1534 N SER A 97 6.548 23.014 -4.025 1.00 0.00 N ATOM 1535 CA SER A 97 5.972 24.289 -3.635 1.00 0.00 C ATOM 1536 C SER A 97 6.830 25.437 -4.171 1.00 0.00 C ATOM 1537 O SER A 97 7.607 26.034 -3.428 1.00 0.00 O ATOM 1538 CB SER A 97 5.837 24.391 -2.115 1.00 0.00 C ATOM 1539 OG SER A 97 7.078 24.160 -1.452 1.00 0.00 O ATOM 0 H SER A 97 7.391 23.083 -4.595 1.00 0.00 H new ATOM 0 HA SER A 97 4.973 24.359 -4.066 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.463 25.380 -1.850 1.00 0.00 H new ATOM 0 HB3 SER A 97 5.100 23.667 -1.767 1.00 0.00 H new ATOM 0 HG SER A 97 7.765 24.747 -1.831 1.00 0.00 H new ATOM 1545 N GLY A 98 6.659 25.711 -5.456 1.00 0.00 N ATOM 1546 CA GLY A 98 7.409 26.777 -6.099 1.00 0.00 C ATOM 1547 C GLY A 98 6.734 28.132 -5.878 1.00 0.00 C ATOM 1548 O GLY A 98 5.508 28.222 -5.847 1.00 0.00 O ATOM 0 H GLY A 98 6.013 25.214 -6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.424 26.803 -5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.490 26.577 -7.167 1.00 0.00 H new ATOM 1552 N PRO A 99 7.587 29.181 -5.727 1.00 0.00 N ATOM 1553 CA PRO A 99 7.086 30.527 -5.510 1.00 0.00 C ATOM 1554 C PRO A 99 6.530 31.121 -6.806 1.00 0.00 C ATOM 1555 O PRO A 99 7.272 31.330 -7.765 1.00 0.00 O ATOM 1556 CB PRO A 99 8.271 31.304 -4.961 1.00 0.00 C ATOM 1557 CG PRO A 99 9.505 30.495 -5.326 1.00 0.00 C ATOM 1558 CD PRO A 99 9.045 29.113 -5.759 1.00 0.00 C ATOM 0 HA PRO A 99 6.249 30.557 -4.812 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.317 32.303 -5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 99 8.190 31.428 -3.881 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.057 30.983 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.180 30.423 -4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 99 9.408 28.869 -6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.420 28.342 -5.086 1.00 0.00 H new ATOM 1566 N SER A 100 5.230 31.377 -6.793 1.00 0.00 N ATOM 1567 CA SER A 100 4.567 31.943 -7.956 1.00 0.00 C ATOM 1568 C SER A 100 4.934 33.421 -8.099 1.00 0.00 C ATOM 1569 O SER A 100 5.345 34.059 -7.132 1.00 0.00 O ATOM 1570 CB SER A 100 3.049 31.780 -7.857 1.00 0.00 C ATOM 1571 OG SER A 100 2.413 31.925 -9.124 1.00 0.00 O ATOM 0 H SER A 100 4.618 31.203 -5.996 1.00 0.00 H new ATOM 0 HA SER A 100 4.906 31.404 -8.840 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.816 30.798 -7.445 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.649 32.520 -7.164 1.00 0.00 H new ATOM 0 HG SER A 100 1.445 31.812 -9.019 1.00 0.00 H new ATOM 1577 N SER A 101 4.772 33.922 -9.315 1.00 0.00 N ATOM 1578 CA SER A 101 5.081 35.313 -9.598 1.00 0.00 C ATOM 1579 C SER A 101 6.547 35.601 -9.269 1.00 0.00 C ATOM 1580 O SER A 101 6.866 36.025 -8.159 1.00 0.00 O ATOM 1581 CB SER A 101 4.166 36.252 -8.810 1.00 0.00 C ATOM 1582 OG SER A 101 3.249 36.940 -9.658 1.00 0.00 O ATOM 0 H SER A 101 4.431 33.389 -10.115 1.00 0.00 H new ATOM 0 HA SER A 101 4.912 35.491 -10.660 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.612 35.679 -8.066 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.772 36.977 -8.267 1.00 0.00 H new ATOM 0 HG SER A 101 2.681 37.528 -9.117 1.00 0.00 H new ATOM 1588 N GLY A 102 7.400 35.360 -10.253 1.00 0.00 N ATOM 1589 CA GLY A 102 8.825 35.588 -10.082 1.00 0.00 C ATOM 1590 C GLY A 102 9.627 34.912 -11.196 1.00 0.00 C ATOM 1591 O GLY A 102 10.844 34.771 -11.091 1.00 0.00 O ATOM 0 H GLY A 102 7.132 35.009 -11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.028 36.659 -10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.145 35.203 -9.114 1.00 0.00 H new TER 1595 GLY A 102