USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 69 MET CE :methyl -130:sc= -2.66 (180deg=-4.99!) USER MOD Set 2.1: A 100 THR OG1 : rot 145:sc= -1.72! USER MOD Set 2.2: B 100 THR OG1 : rot -66:sc= -8.53! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 166:sc= -6.37! (180deg=-6.73!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 89 THR OG1 : rot 25:sc= 0.0929 USER MOD Single : A 92 LYS NZ :NH3+ 137:sc= 0.681 (180deg=0.0605) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -169:sc= -0.0144 (180deg=-0.187) USER MOD Single : A 106 SER OG : rot 71:sc= 1.25 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 67:sc= 1.26 USER MOD Single : B 72 GLN : amide:sc= -0.0677 X(o=-0.068,f=-0.068) USER MOD Single : B 89 THR OG1 : rot 27:sc= 0.0869 USER MOD Single : B 92 LYS NZ :NH3+ 171:sc=-0.00261 (180deg=-0.0984) USER MOD Single : B 96 TYR OH : rot 180:sc= 0 USER MOD Single : B 98 LYS NZ :NH3+ -167:sc= -0.0542 (180deg=-0.313) USER MOD Single : B 102 THR OG1 : rot 82:sc= 0.0861 USER MOD Single : B 106 SER OG : rot 68:sc= 1.13 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 61 8.520 -8.599 13.426 1.00 0.00 N ATOM 2 CA ALA A 61 7.951 -9.499 12.389 1.00 0.00 C ATOM 3 C ALA A 61 8.752 -9.433 11.100 1.00 0.00 C ATOM 4 O ALA A 61 9.160 -8.355 10.667 1.00 0.00 O ATOM 5 CB ALA A 61 6.507 -9.133 12.092 1.00 0.00 C ATOM 0 HA ALA A 61 7.997 -10.514 12.784 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.111 -9.805 11.330 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.914 -9.226 13.002 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.459 -8.106 11.731 1.00 0.00 H new ATOM 13 N SER A 62 8.952 -10.586 10.477 1.00 0.00 N ATOM 14 CA SER A 62 9.676 -10.645 9.222 1.00 0.00 C ATOM 15 C SER A 62 8.946 -9.826 8.177 1.00 0.00 C ATOM 16 O SER A 62 7.718 -9.749 8.174 1.00 0.00 O ATOM 17 CB SER A 62 9.812 -12.083 8.743 1.00 0.00 C ATOM 18 OG SER A 62 10.345 -12.917 9.757 1.00 0.00 O ATOM 0 H SER A 62 8.623 -11.488 10.821 1.00 0.00 H new ATOM 0 HA SER A 62 10.675 -10.238 9.378 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.836 -12.460 8.435 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.458 -12.116 7.865 1.00 0.00 H new ATOM 0 HG SER A 62 10.419 -13.834 9.421 1.00 0.00 H new ATOM 24 N ASP A 63 9.710 -9.213 7.300 1.00 0.00 N ATOM 25 CA ASP A 63 9.151 -8.385 6.249 1.00 0.00 C ATOM 26 C ASP A 63 8.453 -9.229 5.192 1.00 0.00 C ATOM 27 O ASP A 63 7.442 -8.813 4.626 1.00 0.00 O ATOM 28 CB ASP A 63 10.251 -7.534 5.621 1.00 0.00 C ATOM 29 CG ASP A 63 10.875 -6.570 6.612 1.00 0.00 C ATOM 30 OD1 ASP A 63 11.431 -7.040 7.627 1.00 0.00 O ATOM 31 OD2 ASP A 63 10.808 -5.346 6.373 1.00 0.00 O ATOM 0 H ASP A 63 10.728 -9.272 7.293 1.00 0.00 H new ATOM 0 HA ASP A 63 8.401 -7.728 6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.025 -8.187 5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.838 -6.972 4.783 1.00 0.00 H new ATOM 36 N ASP A 64 8.993 -10.413 4.926 1.00 0.00 N ATOM 37 CA ASP A 64 8.425 -11.307 3.940 1.00 0.00 C ATOM 38 C ASP A 64 6.986 -11.644 4.269 1.00 0.00 C ATOM 39 O ASP A 64 6.157 -11.777 3.372 1.00 0.00 O ATOM 40 CB ASP A 64 9.256 -12.581 3.861 1.00 0.00 C ATOM 41 CG ASP A 64 10.746 -12.305 3.860 1.00 0.00 C ATOM 42 OD1 ASP A 64 11.212 -11.560 2.973 1.00 0.00 O ATOM 43 OD2 ASP A 64 11.449 -12.837 4.744 1.00 0.00 O ATOM 0 H ASP A 64 9.829 -10.772 5.386 1.00 0.00 H new ATOM 0 HA ASP A 64 8.439 -10.803 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.010 -13.224 4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.991 -13.128 2.956 1.00 0.00 H new ATOM 48 N GLU A 65 6.686 -11.788 5.550 1.00 0.00 N ATOM 49 CA GLU A 65 5.340 -12.107 5.963 1.00 0.00 C ATOM 50 C GLU A 65 4.365 -11.065 5.425 1.00 0.00 C ATOM 51 O GLU A 65 3.240 -11.383 5.038 1.00 0.00 O ATOM 52 CB GLU A 65 5.249 -12.197 7.489 1.00 0.00 C ATOM 53 CG GLU A 65 3.852 -12.511 8.001 1.00 0.00 C ATOM 54 CD GLU A 65 3.796 -12.616 9.513 1.00 0.00 C ATOM 55 OE1 GLU A 65 4.458 -13.516 10.071 1.00 0.00 O ATOM 56 OE2 GLU A 65 3.095 -11.796 10.139 1.00 0.00 O ATOM 0 H GLU A 65 7.356 -11.689 6.313 1.00 0.00 H new ATOM 0 HA GLU A 65 5.071 -13.080 5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.936 -12.966 7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.581 -11.252 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.164 -11.734 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.510 -13.448 7.562 1.00 0.00 H new ATOM 63 N LEU A 66 4.826 -9.820 5.390 1.00 0.00 N ATOM 64 CA LEU A 66 4.031 -8.706 4.885 1.00 0.00 C ATOM 65 C LEU A 66 4.059 -8.687 3.368 1.00 0.00 C ATOM 66 O LEU A 66 3.053 -8.440 2.712 1.00 0.00 O ATOM 67 CB LEU A 66 4.584 -7.382 5.409 1.00 0.00 C ATOM 68 CG LEU A 66 4.377 -7.123 6.905 1.00 0.00 C ATOM 69 CD1 LEU A 66 5.123 -8.147 7.746 1.00 0.00 C ATOM 70 CD2 LEU A 66 4.817 -5.712 7.267 1.00 0.00 C ATOM 0 H LEU A 66 5.758 -9.555 5.709 1.00 0.00 H new ATOM 0 HA LEU A 66 3.005 -8.834 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.653 -7.346 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.121 -6.569 4.850 1.00 0.00 H new ATOM 0 HG LEU A 66 3.313 -7.222 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.958 -7.939 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.757 -9.147 7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.189 -8.090 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.663 -5.545 8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.873 -5.588 7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.230 -4.991 6.698 1.00 0.00 H new ATOM 82 N PHE A 67 5.233 -8.934 2.822 1.00 0.00 N ATOM 83 CA PHE A 67 5.423 -8.941 1.387 1.00 0.00 C ATOM 84 C PHE A 67 4.719 -10.129 0.747 1.00 0.00 C ATOM 85 O PHE A 67 4.427 -10.124 -0.449 1.00 0.00 O ATOM 86 CB PHE A 67 6.915 -8.963 1.086 1.00 0.00 C ATOM 87 CG PHE A 67 7.629 -7.743 1.573 1.00 0.00 C ATOM 88 CD1 PHE A 67 7.014 -6.502 1.549 1.00 0.00 C ATOM 89 CD2 PHE A 67 8.924 -7.838 2.045 1.00 0.00 C ATOM 90 CE1 PHE A 67 7.683 -5.381 1.995 1.00 0.00 C ATOM 91 CE2 PHE A 67 9.600 -6.723 2.484 1.00 0.00 C ATOM 92 CZ PHE A 67 8.982 -5.492 2.464 1.00 0.00 C ATOM 0 H PHE A 67 6.077 -9.134 3.358 1.00 0.00 H new ATOM 0 HA PHE A 67 4.982 -8.040 0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.360 -9.845 1.547 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.061 -9.057 0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.004 -6.411 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.412 -8.801 2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.195 -4.418 1.979 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.614 -6.813 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.509 -4.616 2.813 1.00 0.00 H new ATOM 102 N SER A 68 4.452 -11.147 1.553 1.00 0.00 N ATOM 103 CA SER A 68 3.786 -12.348 1.072 1.00 0.00 C ATOM 104 C SER A 68 2.337 -12.063 0.708 1.00 0.00 C ATOM 105 O SER A 68 1.898 -12.363 -0.398 1.00 0.00 O ATOM 106 CB SER A 68 3.855 -13.434 2.132 1.00 0.00 C ATOM 107 OG SER A 68 3.247 -14.632 1.686 1.00 0.00 O ATOM 0 H SER A 68 4.687 -11.164 2.545 1.00 0.00 H new ATOM 0 HA SER A 68 4.299 -12.688 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.896 -13.627 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.360 -13.090 3.040 1.00 0.00 H new ATOM 0 HG SER A 68 3.309 -15.312 2.389 1.00 0.00 H new ATOM 113 N MET A 69 1.596 -11.467 1.633 1.00 0.00 N ATOM 114 CA MET A 69 0.214 -11.131 1.368 1.00 0.00 C ATOM 115 C MET A 69 0.150 -10.285 0.105 1.00 0.00 C ATOM 116 O MET A 69 -0.745 -10.445 -0.722 1.00 0.00 O ATOM 117 CB MET A 69 -0.392 -10.374 2.545 1.00 0.00 C ATOM 118 CG MET A 69 0.523 -9.295 3.067 1.00 0.00 C ATOM 119 SD MET A 69 -0.343 -7.986 3.941 1.00 0.00 S ATOM 120 CE MET A 69 1.011 -6.844 4.186 1.00 0.00 C ATOM 0 H MET A 69 1.929 -11.211 2.562 1.00 0.00 H new ATOM 0 HA MET A 69 -0.362 -12.046 1.229 1.00 0.00 H new ATOM 0 HB2 MET A 69 -1.338 -9.927 2.238 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.617 -11.076 3.348 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.257 -9.744 3.736 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.074 -8.862 2.233 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.618 -5.873 4.488 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.673 -7.226 4.964 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.569 -6.736 3.256 1.00 0.00 H new ATOM 130 N LEU A 70 1.138 -9.404 -0.047 1.00 0.00 N ATOM 131 CA LEU A 70 1.236 -8.548 -1.215 1.00 0.00 C ATOM 132 C LEU A 70 1.441 -9.407 -2.440 1.00 0.00 C ATOM 133 O LEU A 70 0.926 -9.126 -3.513 1.00 0.00 O ATOM 134 CB LEU A 70 2.400 -7.582 -1.030 1.00 0.00 C ATOM 135 CG LEU A 70 2.298 -6.762 0.236 1.00 0.00 C ATOM 136 CD1 LEU A 70 3.598 -6.042 0.515 1.00 0.00 C ATOM 137 CD2 LEU A 70 1.147 -5.793 0.106 1.00 0.00 C ATOM 0 H LEU A 70 1.885 -9.268 0.634 1.00 0.00 H new ATOM 0 HA LEU A 70 0.320 -7.971 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.333 -8.146 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.446 -6.911 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 70 2.109 -7.422 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.501 -5.458 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.400 -6.771 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.831 -5.377 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.068 -5.198 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.321 -5.134 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.221 -6.347 -0.047 1.00 0.00 H new ATOM 149 N ASP A 71 2.187 -10.475 -2.244 1.00 0.00 N ATOM 150 CA ASP A 71 2.464 -11.424 -3.302 1.00 0.00 C ATOM 151 C ASP A 71 1.163 -11.998 -3.839 1.00 0.00 C ATOM 152 O ASP A 71 1.043 -12.292 -5.028 1.00 0.00 O ATOM 153 CB ASP A 71 3.354 -12.545 -2.757 1.00 0.00 C ATOM 154 CG ASP A 71 3.782 -13.532 -3.826 1.00 0.00 C ATOM 155 OD1 ASP A 71 2.899 -14.183 -4.424 1.00 0.00 O ATOM 156 OD2 ASP A 71 5.001 -13.656 -4.065 1.00 0.00 O ATOM 0 H ASP A 71 2.617 -10.709 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 71 2.982 -10.919 -4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.240 -12.107 -2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.818 -13.078 -1.971 1.00 0.00 H new ATOM 161 N GLN A 72 0.196 -12.166 -2.947 1.00 0.00 N ATOM 162 CA GLN A 72 -1.092 -12.718 -3.313 1.00 0.00 C ATOM 163 C GLN A 72 -1.998 -11.697 -3.993 1.00 0.00 C ATOM 164 O GLN A 72 -2.738 -12.026 -4.919 1.00 0.00 O ATOM 165 CB GLN A 72 -1.782 -13.283 -2.081 1.00 0.00 C ATOM 166 CG GLN A 72 -3.036 -14.058 -2.414 1.00 0.00 C ATOM 167 CD GLN A 72 -2.748 -15.444 -2.955 1.00 0.00 C ATOM 168 OE1 GLN A 72 -2.079 -16.249 -2.308 1.00 0.00 O ATOM 169 NE2 GLN A 72 -3.259 -15.731 -4.147 1.00 0.00 N ATOM 0 H GLN A 72 0.285 -11.925 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.906 -13.513 -4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.089 -13.934 -1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.034 -12.466 -1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.652 -14.144 -1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.617 -13.500 -3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.808 -15.032 -4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.103 -16.650 -4.561 1.00 0.00 H new ATOM 178 N ARG A 73 -1.948 -10.471 -3.516 1.00 0.00 N ATOM 179 CA ARG A 73 -2.777 -9.402 -4.064 1.00 0.00 C ATOM 180 C ARG A 73 -2.200 -8.848 -5.355 1.00 0.00 C ATOM 181 O ARG A 73 -2.929 -8.510 -6.287 1.00 0.00 O ATOM 182 CB ARG A 73 -2.906 -8.276 -3.047 1.00 0.00 C ATOM 183 CG ARG A 73 -3.908 -8.552 -1.932 1.00 0.00 C ATOM 184 CD ARG A 73 -3.480 -9.720 -1.059 1.00 0.00 C ATOM 185 NE ARG A 73 -4.468 -10.029 -0.027 1.00 0.00 N ATOM 186 CZ ARG A 73 -5.703 -10.454 -0.285 1.00 0.00 C ATOM 187 NH1 ARG A 73 -6.102 -10.634 -1.537 1.00 0.00 N ATOM 188 NH2 ARG A 73 -6.539 -10.704 0.714 1.00 0.00 N ATOM 0 H ARG A 73 -1.342 -10.183 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.758 -9.824 -4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.928 -8.089 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.200 -7.364 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.019 -7.660 -1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.885 -8.763 -2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.322 -10.599 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.525 -9.488 -0.588 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.195 -9.912 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.461 -10.447 -2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.049 -10.960 -1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.235 -10.571 1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.485 -11.030 0.518 1.00 0.00 H new ATOM 202 N PHE A 74 -0.886 -8.746 -5.385 1.00 0.00 N ATOM 203 CA PHE A 74 -0.175 -8.220 -6.535 1.00 0.00 C ATOM 204 C PHE A 74 -0.236 -9.192 -7.701 1.00 0.00 C ATOM 205 O PHE A 74 0.065 -8.832 -8.839 1.00 0.00 O ATOM 206 CB PHE A 74 1.280 -7.940 -6.157 1.00 0.00 C ATOM 207 CG PHE A 74 1.460 -6.803 -5.182 1.00 0.00 C ATOM 208 CD1 PHE A 74 0.375 -6.066 -4.716 1.00 0.00 C ATOM 209 CD2 PHE A 74 2.724 -6.479 -4.720 1.00 0.00 C ATOM 210 CE1 PHE A 74 0.556 -5.036 -3.820 1.00 0.00 C ATOM 211 CE2 PHE A 74 2.907 -5.448 -3.822 1.00 0.00 C ATOM 212 CZ PHE A 74 1.819 -4.726 -3.374 1.00 0.00 C ATOM 0 H PHE A 74 -0.280 -9.025 -4.613 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.653 -7.290 -6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.712 -8.844 -5.727 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.843 -7.718 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.620 -6.305 -5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.578 -7.041 -5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.295 -4.471 -3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.899 -5.206 -3.470 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.960 -3.917 -2.673 1.00 0.00 H new ATOM 393 N THR A 89 17.787 -5.077 0.785 1.00 0.00 N ATOM 394 CA THR A 89 16.441 -4.763 1.248 1.00 0.00 C ATOM 395 C THR A 89 15.699 -3.903 0.227 1.00 0.00 C ATOM 396 O THR A 89 14.529 -4.143 -0.068 1.00 0.00 O ATOM 397 CB THR A 89 16.483 -4.027 2.599 1.00 0.00 C ATOM 398 OG1 THR A 89 17.181 -4.820 3.567 1.00 0.00 O ATOM 399 CG2 THR A 89 15.079 -3.736 3.097 1.00 0.00 C ATOM 0 HA THR A 89 15.910 -5.707 1.372 1.00 0.00 H new ATOM 0 HB THR A 89 17.007 -3.082 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 89 17.795 -5.431 3.108 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.133 -3.215 4.053 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.558 -3.110 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.536 -4.673 3.224 1.00 0.00 H new ATOM 407 N GLU A 90 16.401 -2.910 -0.308 1.00 0.00 N ATOM 408 CA GLU A 90 15.845 -2.003 -1.310 1.00 0.00 C ATOM 409 C GLU A 90 15.086 -2.764 -2.387 1.00 0.00 C ATOM 410 O GLU A 90 13.928 -2.474 -2.659 1.00 0.00 O ATOM 411 CB GLU A 90 16.985 -1.234 -1.971 1.00 0.00 C ATOM 412 CG GLU A 90 17.649 -0.210 -1.068 1.00 0.00 C ATOM 413 CD GLU A 90 18.877 0.417 -1.702 1.00 0.00 C ATOM 414 OE1 GLU A 90 19.811 -0.333 -2.054 1.00 0.00 O ATOM 415 OE2 GLU A 90 18.907 1.657 -1.843 1.00 0.00 O ATOM 0 H GLU A 90 17.370 -2.710 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 90 15.154 -1.325 -0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.738 -1.944 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.601 -0.727 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.931 0.573 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.932 -0.687 -0.130 1.00 0.00 H new ATOM 422 N GLU A 91 15.768 -3.720 -3.004 1.00 0.00 N ATOM 423 CA GLU A 91 15.188 -4.530 -4.079 1.00 0.00 C ATOM 424 C GLU A 91 13.746 -4.919 -3.790 1.00 0.00 C ATOM 425 O GLU A 91 12.842 -4.619 -4.570 1.00 0.00 O ATOM 426 CB GLU A 91 16.036 -5.784 -4.307 1.00 0.00 C ATOM 427 CG GLU A 91 15.534 -6.663 -5.442 1.00 0.00 C ATOM 428 CD GLU A 91 16.401 -7.889 -5.661 1.00 0.00 C ATOM 429 OE1 GLU A 91 17.400 -8.050 -4.927 1.00 0.00 O ATOM 430 OE2 GLU A 91 16.084 -8.686 -6.569 1.00 0.00 O ATOM 0 H GLU A 91 16.734 -3.959 -2.779 1.00 0.00 H new ATOM 0 HA GLU A 91 15.186 -3.921 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.063 -5.484 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.057 -6.370 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.513 -6.979 -5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.500 -6.078 -6.361 1.00 0.00 H new ATOM 437 N LYS A 92 13.537 -5.572 -2.664 1.00 0.00 N ATOM 438 CA LYS A 92 12.199 -5.988 -2.260 1.00 0.00 C ATOM 439 C LYS A 92 11.340 -4.747 -2.050 1.00 0.00 C ATOM 440 O LYS A 92 10.254 -4.613 -2.608 1.00 0.00 O ATOM 441 CB LYS A 92 12.283 -6.815 -0.971 1.00 0.00 C ATOM 442 CG LYS A 92 11.016 -7.558 -0.595 1.00 0.00 C ATOM 443 CD LYS A 92 11.330 -8.752 0.289 1.00 0.00 C ATOM 444 CE LYS A 92 12.218 -9.761 -0.420 1.00 0.00 C ATOM 445 NZ LYS A 92 12.575 -10.901 0.467 1.00 0.00 N ATOM 0 H LYS A 92 14.275 -5.829 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 92 11.747 -6.607 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.092 -7.538 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.553 -6.151 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.335 -6.884 -0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.505 -7.893 -1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.823 -8.411 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.401 -9.235 0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.706 -10.136 -1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.128 -9.268 -0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.498 -11.792 -0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.551 -10.784 0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.926 -10.926 1.279 1.00 0.00 H new ATOM 459 N LEU A 93 11.868 -3.827 -1.258 1.00 0.00 N ATOM 460 CA LEU A 93 11.198 -2.568 -0.967 1.00 0.00 C ATOM 461 C LEU A 93 10.933 -1.760 -2.235 1.00 0.00 C ATOM 462 O LEU A 93 10.130 -0.830 -2.229 1.00 0.00 O ATOM 463 CB LEU A 93 12.053 -1.759 0.004 1.00 0.00 C ATOM 464 CG LEU A 93 11.811 -2.053 1.480 1.00 0.00 C ATOM 465 CD1 LEU A 93 11.818 -3.554 1.733 1.00 0.00 C ATOM 466 CD2 LEU A 93 12.847 -1.340 2.330 1.00 0.00 C ATOM 0 H LEU A 93 12.773 -3.931 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 93 10.230 -2.790 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.103 -1.945 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.872 -0.699 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 93 10.827 -1.677 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.644 -3.745 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.031 -4.026 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.784 -3.967 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.665 -1.556 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.844 -1.686 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.777 -0.265 2.163 1.00 0.00 H new ATOM 478 N ARG A 94 11.619 -2.107 -3.318 1.00 0.00 N ATOM 479 CA ARG A 94 11.460 -1.400 -4.582 1.00 0.00 C ATOM 480 C ARG A 94 10.126 -1.742 -5.244 1.00 0.00 C ATOM 481 O ARG A 94 9.392 -0.855 -5.677 1.00 0.00 O ATOM 482 CB ARG A 94 12.615 -1.741 -5.528 1.00 0.00 C ATOM 483 CG ARG A 94 12.555 -1.012 -6.860 1.00 0.00 C ATOM 484 CD ARG A 94 12.708 0.491 -6.687 1.00 0.00 C ATOM 485 NE ARG A 94 13.998 0.848 -6.103 1.00 0.00 N ATOM 486 CZ ARG A 94 14.383 2.099 -5.872 1.00 0.00 C ATOM 487 NH1 ARG A 94 13.580 3.111 -6.173 1.00 0.00 N ATOM 488 NH2 ARG A 94 15.573 2.340 -5.339 1.00 0.00 N ATOM 0 H ARG A 94 12.291 -2.874 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 94 11.471 -0.331 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 94 13.558 -1.501 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.616 -2.815 -5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.343 -1.385 -7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 94 11.605 -1.227 -7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.601 0.980 -7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.906 0.866 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 94 14.640 0.094 -5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.664 2.930 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.879 4.070 -5.994 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.194 1.565 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.868 3.300 -5.162 1.00 0.00 H new ATOM 502 N ARG A 95 9.826 -3.035 -5.328 1.00 0.00 N ATOM 503 CA ARG A 95 8.587 -3.495 -5.949 1.00 0.00 C ATOM 504 C ARG A 95 7.403 -3.435 -4.983 1.00 0.00 C ATOM 505 O ARG A 95 6.391 -2.804 -5.275 1.00 0.00 O ATOM 506 CB ARG A 95 8.764 -4.921 -6.483 1.00 0.00 C ATOM 507 CG ARG A 95 9.421 -5.874 -5.500 1.00 0.00 C ATOM 508 CD ARG A 95 9.539 -7.276 -6.081 1.00 0.00 C ATOM 509 NE ARG A 95 10.332 -7.300 -7.309 1.00 0.00 N ATOM 510 CZ ARG A 95 11.626 -6.994 -7.362 1.00 0.00 C ATOM 511 NH1 ARG A 95 12.279 -6.657 -6.258 1.00 0.00 N ATOM 512 NH2 ARG A 95 12.270 -7.031 -8.520 1.00 0.00 N ATOM 0 H ARG A 95 10.423 -3.782 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 95 8.365 -2.822 -6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.787 -5.318 -6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.363 -4.885 -7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.412 -5.503 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.839 -5.908 -4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.995 -7.936 -5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.543 -7.667 -6.286 1.00 0.00 H new ATOM 0 HE ARG A 95 9.866 -7.567 -8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.789 -6.632 -5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.271 -6.423 -6.303 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.774 -7.294 -9.371 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.262 -6.796 -8.560 1.00 0.00 H new ATOM 526 N TYR A 96 7.532 -4.101 -3.842 1.00 0.00 N ATOM 527 CA TYR A 96 6.485 -4.147 -2.839 1.00 0.00 C ATOM 528 C TYR A 96 5.980 -2.762 -2.457 1.00 0.00 C ATOM 529 O TYR A 96 4.782 -2.514 -2.507 1.00 0.00 O ATOM 530 CB TYR A 96 7.018 -4.902 -1.629 1.00 0.00 C ATOM 531 CG TYR A 96 7.233 -6.361 -1.940 1.00 0.00 C ATOM 532 CD1 TYR A 96 6.210 -7.287 -1.792 1.00 0.00 C ATOM 533 CD2 TYR A 96 8.456 -6.807 -2.404 1.00 0.00 C ATOM 534 CE1 TYR A 96 6.406 -8.619 -2.100 1.00 0.00 C ATOM 535 CE2 TYR A 96 8.668 -8.129 -2.711 1.00 0.00 C ATOM 536 CZ TYR A 96 7.639 -9.039 -2.558 1.00 0.00 C ATOM 537 OH TYR A 96 7.843 -10.363 -2.868 1.00 0.00 O ATOM 0 H TYR A 96 8.370 -4.625 -3.589 1.00 0.00 H new ATOM 0 HA TYR A 96 5.621 -4.667 -3.252 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.958 -4.455 -1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.317 -4.805 -0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.246 -6.961 -1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.263 -6.100 -2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.600 -9.328 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.633 -8.455 -3.070 1.00 0.00 H new ATOM 0 HH TYR A 96 8.765 -10.489 -3.176 1.00 0.00 H new ATOM 547 N LEU A 97 6.879 -1.862 -2.079 1.00 0.00 N ATOM 548 CA LEU A 97 6.469 -0.518 -1.695 1.00 0.00 C ATOM 549 C LEU A 97 5.742 0.203 -2.823 1.00 0.00 C ATOM 550 O LEU A 97 4.594 0.618 -2.665 1.00 0.00 O ATOM 551 CB LEU A 97 7.676 0.302 -1.253 1.00 0.00 C ATOM 552 CG LEU A 97 7.404 1.795 -1.067 1.00 0.00 C ATOM 553 CD1 LEU A 97 6.092 2.013 -0.333 1.00 0.00 C ATOM 554 CD2 LEU A 97 8.556 2.450 -0.330 1.00 0.00 C ATOM 0 H LEU A 97 7.883 -2.035 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 97 5.774 -0.621 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.049 -0.105 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.470 0.181 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 97 7.318 2.260 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.917 3.082 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.276 1.575 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.140 1.539 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.350 3.513 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.673 1.985 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.474 2.324 -0.904 1.00 0.00 H new ATOM 566 N LYS A 98 6.417 0.360 -3.952 1.00 0.00 N ATOM 567 CA LYS A 98 5.836 1.045 -5.097 1.00 0.00 C ATOM 568 C LYS A 98 4.477 0.453 -5.456 1.00 0.00 C ATOM 569 O LYS A 98 3.565 1.169 -5.869 1.00 0.00 O ATOM 570 CB LYS A 98 6.787 0.956 -6.295 1.00 0.00 C ATOM 571 CG LYS A 98 6.256 1.613 -7.559 1.00 0.00 C ATOM 572 CD LYS A 98 7.240 1.479 -8.712 1.00 0.00 C ATOM 573 CE LYS A 98 6.721 2.150 -9.973 1.00 0.00 C ATOM 574 NZ LYS A 98 5.438 1.551 -10.436 1.00 0.00 N ATOM 0 H LYS A 98 7.368 0.022 -4.100 1.00 0.00 H new ATOM 0 HA LYS A 98 5.689 2.092 -4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.736 1.421 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.994 -0.094 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.305 1.157 -7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.060 2.668 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.195 1.923 -8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.426 0.424 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.577 3.214 -9.785 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.467 2.064 -10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.214 1.903 -11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.528 0.515 -10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.675 1.816 -9.781 1.00 0.00 H new ATOM 588 N ARG A 99 4.359 -0.860 -5.312 1.00 0.00 N ATOM 589 CA ARG A 99 3.127 -1.562 -5.634 1.00 0.00 C ATOM 590 C ARG A 99 2.021 -1.333 -4.618 1.00 0.00 C ATOM 591 O ARG A 99 0.955 -0.850 -4.979 1.00 0.00 O ATOM 592 CB ARG A 99 3.411 -3.053 -5.799 1.00 0.00 C ATOM 593 CG ARG A 99 4.239 -3.385 -7.032 1.00 0.00 C ATOM 594 CD ARG A 99 3.593 -2.855 -8.300 1.00 0.00 C ATOM 595 NE ARG A 99 4.313 -3.277 -9.500 1.00 0.00 N ATOM 596 CZ ARG A 99 3.939 -2.960 -10.737 1.00 0.00 C ATOM 597 NH1 ARG A 99 2.853 -2.225 -10.938 1.00 0.00 N ATOM 598 NH2 ARG A 99 4.651 -3.379 -11.774 1.00 0.00 N ATOM 0 H ARG A 99 5.108 -1.463 -4.972 1.00 0.00 H new ATOM 0 HA ARG A 99 2.760 -1.150 -6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.933 -3.415 -4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.464 -3.591 -5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.237 -2.959 -6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.360 -4.465 -7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.562 -3.204 -8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.559 -1.766 -8.262 1.00 0.00 H new ATOM 0 HE ARG A 99 5.150 -3.847 -9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.302 -1.901 -10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.569 -1.984 -11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.486 -3.945 -11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.363 -3.135 -12.722 1.00 0.00 H new ATOM 612 N THR A 100 2.249 -1.689 -3.363 1.00 0.00 N ATOM 613 CA THR A 100 1.216 -1.521 -2.350 1.00 0.00 C ATOM 614 C THR A 100 0.817 -0.067 -2.160 1.00 0.00 C ATOM 615 O THR A 100 -0.267 0.217 -1.657 1.00 0.00 O ATOM 616 CB THR A 100 1.593 -2.142 -1.000 1.00 0.00 C ATOM 617 OG1 THR A 100 0.649 -1.746 0.001 1.00 0.00 O ATOM 618 CG2 THR A 100 2.983 -1.731 -0.576 1.00 0.00 C ATOM 0 H THR A 100 3.124 -2.089 -3.024 1.00 0.00 H new ATOM 0 HA THR A 100 0.354 -2.064 -2.736 1.00 0.00 H new ATOM 0 HB THR A 100 1.576 -3.226 -1.113 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.515 -2.482 0.634 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.220 -2.188 0.385 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.704 -2.062 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.029 -0.646 -0.483 1.00 0.00 H new ATOM 626 N VAL A 101 1.673 0.855 -2.574 1.00 0.00 N ATOM 627 CA VAL A 101 1.366 2.270 -2.457 1.00 0.00 C ATOM 628 C VAL A 101 0.242 2.641 -3.397 1.00 0.00 C ATOM 629 O VAL A 101 -0.750 3.245 -2.996 1.00 0.00 O ATOM 630 CB VAL A 101 2.599 3.111 -2.777 1.00 0.00 C ATOM 631 CG1 VAL A 101 2.221 4.463 -3.353 1.00 0.00 C ATOM 632 CG2 VAL A 101 3.459 3.249 -1.541 1.00 0.00 C ATOM 0 H VAL A 101 2.581 0.649 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 101 1.056 2.470 -1.431 1.00 0.00 H new ATOM 0 HB VAL A 101 3.178 2.599 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.125 5.033 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.654 4.321 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.612 5.008 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.338 3.850 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.886 3.735 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.774 2.261 -1.205 1.00 0.00 H new ATOM 642 N THR A 102 0.390 2.250 -4.649 1.00 0.00 N ATOM 643 CA THR A 102 -0.628 2.510 -5.634 1.00 0.00 C ATOM 644 C THR A 102 -1.782 1.555 -5.384 1.00 0.00 C ATOM 645 O THR A 102 -2.947 1.907 -5.544 1.00 0.00 O ATOM 646 CB THR A 102 -0.075 2.311 -7.048 1.00 0.00 C ATOM 647 OG1 THR A 102 0.903 3.315 -7.341 1.00 0.00 O ATOM 648 CG2 THR A 102 -1.184 2.349 -8.084 1.00 0.00 C ATOM 0 H THR A 102 1.207 1.752 -5.002 1.00 0.00 H new ATOM 0 HA THR A 102 -0.967 3.543 -5.552 1.00 0.00 H new ATOM 0 HB THR A 102 0.394 1.328 -7.090 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.252 3.178 -8.247 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.759 2.205 -9.077 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.902 1.555 -7.878 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.688 3.314 -8.042 1.00 0.00 H new ATOM 656 N GLU A 103 -1.429 0.344 -4.953 1.00 0.00 N ATOM 657 CA GLU A 103 -2.385 -0.673 -4.628 1.00 0.00 C ATOM 658 C GLU A 103 -3.284 -0.168 -3.517 1.00 0.00 C ATOM 659 O GLU A 103 -4.498 -0.361 -3.550 1.00 0.00 O ATOM 660 CB GLU A 103 -1.649 -1.958 -4.230 1.00 0.00 C ATOM 661 CG GLU A 103 -1.172 -2.770 -5.420 1.00 0.00 C ATOM 662 CD GLU A 103 -2.305 -3.243 -6.312 1.00 0.00 C ATOM 663 OE1 GLU A 103 -3.006 -2.386 -6.892 1.00 0.00 O ATOM 664 OE2 GLU A 103 -2.490 -4.472 -6.433 1.00 0.00 O ATOM 0 H GLU A 103 -0.459 0.055 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.009 -0.904 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.792 -1.700 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.311 -2.574 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.481 -2.168 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.615 -3.635 -5.062 1.00 0.00 H new ATOM 671 N LEU A 104 -2.684 0.527 -2.551 1.00 0.00 N ATOM 672 CA LEU A 104 -3.453 1.104 -1.462 1.00 0.00 C ATOM 673 C LEU A 104 -4.175 2.328 -1.994 1.00 0.00 C ATOM 674 O LEU A 104 -5.318 2.601 -1.638 1.00 0.00 O ATOM 675 CB LEU A 104 -2.559 1.448 -0.253 1.00 0.00 C ATOM 676 CG LEU A 104 -1.761 2.755 -0.300 1.00 0.00 C ATOM 677 CD1 LEU A 104 -2.656 3.968 -0.133 1.00 0.00 C ATOM 678 CD2 LEU A 104 -0.728 2.752 0.797 1.00 0.00 C ATOM 0 H LEU A 104 -1.680 0.700 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.180 0.378 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.192 1.474 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.852 0.630 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.282 2.817 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.052 4.874 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.394 3.989 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.167 3.914 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.160 3.682 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.224 2.664 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.052 1.908 0.658 1.00 0.00 H new ATOM 690 N ASP A 105 -3.490 3.041 -2.885 1.00 0.00 N ATOM 691 CA ASP A 105 -4.041 4.226 -3.524 1.00 0.00 C ATOM 692 C ASP A 105 -5.172 3.820 -4.452 1.00 0.00 C ATOM 693 O ASP A 105 -5.944 4.653 -4.920 1.00 0.00 O ATOM 694 CB ASP A 105 -2.962 4.939 -4.336 1.00 0.00 C ATOM 695 CG ASP A 105 -3.436 6.272 -4.882 1.00 0.00 C ATOM 696 OD1 ASP A 105 -3.808 7.147 -4.073 1.00 0.00 O ATOM 697 OD2 ASP A 105 -3.437 6.440 -6.120 1.00 0.00 O ATOM 0 H ASP A 105 -2.541 2.812 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.414 4.900 -2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.085 5.097 -3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.652 4.300 -5.163 1.00 0.00 H new ATOM 702 N SER A 106 -5.236 2.524 -4.715 1.00 0.00 N ATOM 703 CA SER A 106 -6.243 1.950 -5.593 1.00 0.00 C ATOM 704 C SER A 106 -7.471 1.549 -4.803 1.00 0.00 C ATOM 705 O SER A 106 -8.577 2.017 -5.064 1.00 0.00 O ATOM 706 CB SER A 106 -5.661 0.741 -6.330 1.00 0.00 C ATOM 707 OG SER A 106 -4.725 1.147 -7.314 1.00 0.00 O ATOM 0 H SER A 106 -4.589 1.839 -4.324 1.00 0.00 H new ATOM 0 HA SER A 106 -6.541 2.700 -6.325 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.177 0.074 -5.616 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.466 0.175 -6.800 1.00 0.00 H new ATOM 0 HG SER A 106 -3.914 1.479 -6.876 1.00 0.00 H new ATOM 713 N VAL A 107 -7.254 0.691 -3.823 1.00 0.00 N ATOM 714 CA VAL A 107 -8.315 0.219 -2.964 1.00 0.00 C ATOM 715 C VAL A 107 -8.986 1.391 -2.279 1.00 0.00 C ATOM 716 O VAL A 107 -10.209 1.470 -2.195 1.00 0.00 O ATOM 717 CB VAL A 107 -7.735 -0.727 -1.911 1.00 0.00 C ATOM 718 CG1 VAL A 107 -8.822 -1.312 -1.041 1.00 0.00 C ATOM 719 CG2 VAL A 107 -6.935 -1.814 -2.593 1.00 0.00 C ATOM 0 H VAL A 107 -6.336 0.304 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.053 -0.312 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 107 -7.073 -0.160 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -8.377 -1.980 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -9.352 -0.508 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.523 -1.871 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.522 -2.488 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -7.583 -2.375 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.122 -1.364 -3.163 1.00 0.00 H new ATOM 729 N THR A 108 -8.158 2.303 -1.810 1.00 0.00 N ATOM 730 CA THR A 108 -8.620 3.509 -1.143 1.00 0.00 C ATOM 731 C THR A 108 -9.455 4.334 -2.082 1.00 0.00 C ATOM 732 O THR A 108 -10.410 5.005 -1.693 1.00 0.00 O ATOM 733 CB THR A 108 -7.414 4.344 -0.686 1.00 0.00 C ATOM 734 OG1 THR A 108 -7.788 5.227 0.379 1.00 0.00 O ATOM 735 CG2 THR A 108 -6.849 5.152 -1.845 1.00 0.00 C ATOM 0 H THR A 108 -7.143 2.231 -1.880 1.00 0.00 H new ATOM 0 HA THR A 108 -9.221 3.221 -0.280 1.00 0.00 H new ATOM 0 HB THR A 108 -6.647 3.658 -0.327 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.008 5.750 0.659 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.996 5.736 -1.500 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.529 4.476 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.617 5.824 -2.229 1.00 0.00 H new ATOM 743 N ALA A 109 -9.042 4.286 -3.315 1.00 0.00 N ATOM 744 CA ALA A 109 -9.665 5.019 -4.372 1.00 0.00 C ATOM 745 C ALA A 109 -11.026 4.450 -4.741 1.00 0.00 C ATOM 746 O ALA A 109 -11.933 5.188 -5.121 1.00 0.00 O ATOM 747 CB ALA A 109 -8.716 4.990 -5.544 1.00 0.00 C ATOM 0 H ALA A 109 -8.246 3.724 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.857 6.044 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.151 5.540 -6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.771 5.452 -5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.539 3.957 -5.843 1.00 0.00 H new ATOM 753 N ARG A 110 -11.156 3.135 -4.652 1.00 0.00 N ATOM 754 CA ARG A 110 -12.395 2.476 -4.999 1.00 0.00 C ATOM 755 C ARG A 110 -13.330 2.382 -3.802 1.00 0.00 C ATOM 756 O ARG A 110 -14.545 2.392 -3.950 1.00 0.00 O ATOM 757 CB ARG A 110 -12.122 1.080 -5.566 1.00 0.00 C ATOM 758 CG ARG A 110 -10.903 1.003 -6.482 1.00 0.00 C ATOM 759 CD ARG A 110 -10.745 2.252 -7.339 1.00 0.00 C ATOM 760 NE ARG A 110 -9.770 2.064 -8.410 1.00 0.00 N ATOM 761 CZ ARG A 110 -9.548 2.957 -9.370 1.00 0.00 C ATOM 762 NH1 ARG A 110 -10.249 4.083 -9.408 1.00 0.00 N ATOM 763 NH2 ARG A 110 -8.631 2.723 -10.298 1.00 0.00 N ATOM 0 H ARG A 110 -10.415 2.507 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 110 -12.885 3.079 -5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.985 0.385 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.000 0.747 -6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -10.006 0.863 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -10.992 0.130 -7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -11.710 2.519 -7.770 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.435 3.086 -6.710 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.229 1.199 -8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.960 4.265 -8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.077 4.766 -10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.094 1.856 -10.277 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.463 3.410 -11.033 1.00 0.00 H new ATOM 777 N LEU A 111 -12.734 2.285 -2.628 1.00 0.00 N ATOM 778 CA LEU A 111 -13.471 2.170 -1.367 1.00 0.00 C ATOM 779 C LEU A 111 -14.529 3.259 -1.243 1.00 0.00 C ATOM 780 O LEU A 111 -15.631 3.024 -0.751 1.00 0.00 O ATOM 781 CB LEU A 111 -12.489 2.264 -0.195 1.00 0.00 C ATOM 782 CG LEU A 111 -13.067 1.989 1.191 1.00 0.00 C ATOM 783 CD1 LEU A 111 -13.680 0.603 1.241 1.00 0.00 C ATOM 784 CD2 LEU A 111 -11.985 2.131 2.253 1.00 0.00 C ATOM 0 H LEU A 111 -11.720 2.283 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 111 -13.978 1.205 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.675 1.561 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.053 3.263 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.849 2.721 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.088 0.421 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -14.479 0.531 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.915 -0.141 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.412 1.932 3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.184 1.419 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.583 3.144 2.230 1.00 0.00 H new ATOM 796 N ARG A 112 -14.168 4.451 -1.686 1.00 0.00 N ATOM 797 CA ARG A 112 -15.047 5.607 -1.632 1.00 0.00 C ATOM 798 C ARG A 112 -16.308 5.402 -2.465 1.00 0.00 C ATOM 799 O ARG A 112 -17.383 5.890 -2.118 1.00 0.00 O ATOM 800 CB ARG A 112 -14.309 6.841 -2.148 1.00 0.00 C ATOM 801 CG ARG A 112 -13.857 6.695 -3.589 1.00 0.00 C ATOM 802 CD ARG A 112 -13.471 8.030 -4.199 1.00 0.00 C ATOM 803 NE ARG A 112 -14.547 9.014 -4.104 1.00 0.00 N ATOM 804 CZ ARG A 112 -14.438 10.269 -4.528 1.00 0.00 C ATOM 805 NH1 ARG A 112 -13.304 10.696 -5.065 1.00 0.00 N ATOM 806 NH2 ARG A 112 -15.466 11.101 -4.414 1.00 0.00 N ATOM 0 H ARG A 112 -13.254 4.645 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 112 -15.342 5.745 -0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.960 7.711 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.441 7.030 -1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.006 6.015 -3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.657 6.245 -4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.584 8.415 -3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.205 7.885 -5.246 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.432 8.721 -3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.511 10.061 -5.154 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -13.224 11.660 -5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -16.341 10.777 -4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.381 12.064 -4.740 1.00 0.00 H new ATOM 820 N GLU A 113 -16.157 4.702 -3.580 1.00 0.00 N ATOM 821 CA GLU A 113 -17.249 4.447 -4.483 1.00 0.00 C ATOM 822 C GLU A 113 -17.939 3.159 -4.132 1.00 0.00 C ATOM 823 O GLU A 113 -19.138 2.989 -4.356 1.00 0.00 O ATOM 824 CB GLU A 113 -16.731 4.406 -5.912 1.00 0.00 C ATOM 825 CG GLU A 113 -16.110 5.717 -6.320 1.00 0.00 C ATOM 826 CD GLU A 113 -15.807 5.797 -7.803 1.00 0.00 C ATOM 827 OE1 GLU A 113 -16.025 4.790 -8.511 1.00 0.00 O ATOM 828 OE2 GLU A 113 -15.342 6.864 -8.258 1.00 0.00 O ATOM 0 H GLU A 113 -15.269 4.298 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 113 -17.978 5.252 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -15.994 3.609 -6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -17.551 4.166 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -16.783 6.531 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -15.188 5.865 -5.759 1.00 0.00 H new ATOM 835 N VAL A 114 -17.162 2.253 -3.582 1.00 0.00 N ATOM 836 CA VAL A 114 -17.681 0.962 -3.192 1.00 0.00 C ATOM 837 C VAL A 114 -18.810 1.137 -2.193 1.00 0.00 C ATOM 838 O VAL A 114 -19.885 0.557 -2.342 1.00 0.00 O ATOM 839 CB VAL A 114 -16.590 0.068 -2.592 1.00 0.00 C ATOM 840 CG1 VAL A 114 -17.184 -1.226 -2.086 1.00 0.00 C ATOM 841 CG2 VAL A 114 -15.515 -0.210 -3.617 1.00 0.00 C ATOM 0 H VAL A 114 -16.168 2.387 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 114 -18.058 0.472 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 114 -16.139 0.592 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.395 -1.848 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -17.926 -1.010 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.660 -1.755 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -14.747 -0.846 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -15.954 -0.715 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.067 0.730 -3.938 1.00 0.00 H new ATOM 851 N GLU A 115 -18.562 1.967 -1.190 1.00 0.00 N ATOM 852 CA GLU A 115 -19.561 2.255 -0.179 1.00 0.00 C ATOM 853 C GLU A 115 -20.800 2.807 -0.839 1.00 0.00 C ATOM 854 O GLU A 115 -21.932 2.429 -0.544 1.00 0.00 O ATOM 855 CB GLU A 115 -19.038 3.273 0.818 1.00 0.00 C ATOM 856 CG GLU A 115 -18.189 4.340 0.183 1.00 0.00 C ATOM 857 CD GLU A 115 -17.563 5.275 1.201 1.00 0.00 C ATOM 858 OE1 GLU A 115 -17.776 5.062 2.414 1.00 0.00 O ATOM 859 OE2 GLU A 115 -16.861 6.220 0.787 1.00 0.00 O ATOM 0 H GLU A 115 -17.675 2.452 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 115 -19.795 1.330 0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.881 3.742 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.454 2.758 1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.401 3.869 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.799 4.920 -0.509 1.00 0.00 H new ATOM 942 N ALA B 61 9.048 6.596 -13.723 1.00 0.00 N ATOM 943 CA ALA B 61 8.381 7.601 -12.857 1.00 0.00 C ATOM 944 C ALA B 61 9.113 7.750 -11.528 1.00 0.00 C ATOM 945 O ALA B 61 9.501 6.758 -10.909 1.00 0.00 O ATOM 946 CB ALA B 61 6.930 7.214 -12.618 1.00 0.00 C ATOM 0 HA ALA B 61 8.410 8.562 -13.371 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.454 7.960 -11.982 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.405 7.163 -13.572 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.889 6.241 -12.129 1.00 0.00 H new ATOM 954 N SER B 62 9.298 8.993 -11.095 1.00 0.00 N ATOM 955 CA SER B 62 9.982 9.271 -9.839 1.00 0.00 C ATOM 956 C SER B 62 9.244 8.634 -8.666 1.00 0.00 C ATOM 957 O SER B 62 8.021 8.729 -8.564 1.00 0.00 O ATOM 958 CB SER B 62 10.101 10.780 -9.619 1.00 0.00 C ATOM 959 OG SER B 62 10.825 11.393 -10.671 1.00 0.00 O ATOM 0 H SER B 62 8.983 9.824 -11.596 1.00 0.00 H new ATOM 0 HA SER B 62 10.981 8.839 -9.897 1.00 0.00 H new ATOM 0 HB2 SER B 62 9.106 11.221 -9.553 1.00 0.00 H new ATOM 0 HB3 SER B 62 10.599 10.974 -8.669 1.00 0.00 H new ATOM 0 HG SER B 62 10.886 12.357 -10.508 1.00 0.00 H new ATOM 965 N ASP B 63 9.997 7.987 -7.784 1.00 0.00 N ATOM 966 CA ASP B 63 9.417 7.335 -6.616 1.00 0.00 C ATOM 967 C ASP B 63 8.706 8.352 -5.730 1.00 0.00 C ATOM 968 O ASP B 63 7.665 8.056 -5.143 1.00 0.00 O ATOM 969 CB ASP B 63 10.502 6.611 -5.819 1.00 0.00 C ATOM 970 CG ASP B 63 11.188 5.528 -6.627 1.00 0.00 C ATOM 971 OD1 ASP B 63 11.794 5.857 -7.668 1.00 0.00 O ATOM 972 OD2 ASP B 63 11.119 4.350 -6.218 1.00 0.00 O ATOM 0 H ASP B 63 11.011 7.900 -7.856 1.00 0.00 H new ATOM 0 HA ASP B 63 8.685 6.604 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP B 63 11.245 7.334 -5.482 1.00 0.00 H new ATOM 0 HB3 ASP B 63 10.059 6.169 -4.926 1.00 0.00 H new ATOM 977 N ASP B 64 9.278 9.547 -5.637 1.00 0.00 N ATOM 978 CA ASP B 64 8.708 10.616 -4.822 1.00 0.00 C ATOM 979 C ASP B 64 7.263 10.901 -5.222 1.00 0.00 C ATOM 980 O ASP B 64 6.417 11.159 -4.367 1.00 0.00 O ATOM 981 CB ASP B 64 9.544 11.889 -4.955 1.00 0.00 C ATOM 982 CG ASP B 64 10.972 11.695 -4.484 1.00 0.00 C ATOM 983 OD1 ASP B 64 11.659 10.803 -5.023 1.00 0.00 O ATOM 984 OD2 ASP B 64 11.405 12.438 -3.579 1.00 0.00 O ATOM 0 H ASP B 64 10.141 9.802 -6.118 1.00 0.00 H new ATOM 0 HA ASP B 64 8.719 10.287 -3.783 1.00 0.00 H new ATOM 0 HB2 ASP B 64 9.548 12.210 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP B 64 9.079 12.688 -4.377 1.00 0.00 H new ATOM 989 N GLU B 65 6.988 10.858 -6.524 1.00 0.00 N ATOM 990 CA GLU B 65 5.643 11.115 -7.028 1.00 0.00 C ATOM 991 C GLU B 65 4.633 10.189 -6.360 1.00 0.00 C ATOM 992 O GLU B 65 3.600 10.636 -5.862 1.00 0.00 O ATOM 993 CB GLU B 65 5.596 10.929 -8.545 1.00 0.00 C ATOM 994 CG GLU B 65 4.236 11.237 -9.153 1.00 0.00 C ATOM 995 CD GLU B 65 4.203 11.021 -10.655 1.00 0.00 C ATOM 996 OE1 GLU B 65 5.226 10.577 -11.214 1.00 0.00 O ATOM 997 OE2 GLU B 65 3.151 11.296 -11.269 1.00 0.00 O ATOM 0 H GLU B 65 7.677 10.648 -7.246 1.00 0.00 H new ATOM 0 HA GLU B 65 5.383 12.146 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU B 65 6.345 11.573 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU B 65 5.868 9.901 -8.786 1.00 0.00 H new ATOM 0 HG2 GLU B 65 3.481 10.607 -8.683 1.00 0.00 H new ATOM 0 HG3 GLU B 65 3.970 12.271 -8.933 1.00 0.00 H new ATOM 1004 N LEU B 66 4.947 8.898 -6.342 1.00 0.00 N ATOM 1005 CA LEU B 66 4.073 7.911 -5.722 1.00 0.00 C ATOM 1006 C LEU B 66 4.039 8.118 -4.216 1.00 0.00 C ATOM 1007 O LEU B 66 2.976 8.108 -3.599 1.00 0.00 O ATOM 1008 CB LEU B 66 4.548 6.489 -6.039 1.00 0.00 C ATOM 1009 CG LEU B 66 4.450 6.074 -7.511 1.00 0.00 C ATOM 1010 CD1 LEU B 66 5.405 6.888 -8.371 1.00 0.00 C ATOM 1011 CD2 LEU B 66 4.733 4.588 -7.659 1.00 0.00 C ATOM 0 H LEU B 66 5.799 8.512 -6.749 1.00 0.00 H new ATOM 0 HA LEU B 66 3.069 8.040 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.586 6.392 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU B 66 3.964 5.788 -5.442 1.00 0.00 H new ATOM 0 HG LEU B 66 3.435 6.273 -7.855 1.00 0.00 H new ATOM 0 HD11 LEU B 66 5.316 6.574 -9.411 1.00 0.00 H new ATOM 0 HD12 LEU B 66 5.157 7.946 -8.289 1.00 0.00 H new ATOM 0 HD13 LEU B 66 6.428 6.728 -8.030 1.00 0.00 H new ATOM 0 HD21 LEU B 66 4.660 4.307 -8.710 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.737 4.371 -7.294 1.00 0.00 H new ATOM 0 HD23 LEU B 66 4.005 4.020 -7.080 1.00 0.00 H new ATOM 1023 N PHE B 67 5.220 8.314 -3.639 1.00 0.00 N ATOM 1024 CA PHE B 67 5.354 8.534 -2.206 1.00 0.00 C ATOM 1025 C PHE B 67 4.512 9.720 -1.757 1.00 0.00 C ATOM 1026 O PHE B 67 4.016 9.751 -0.630 1.00 0.00 O ATOM 1027 CB PHE B 67 6.827 8.733 -1.846 1.00 0.00 C ATOM 1028 CG PHE B 67 7.663 7.501 -2.071 1.00 0.00 C ATOM 1029 CD1 PHE B 67 7.089 6.238 -2.021 1.00 0.00 C ATOM 1030 CD2 PHE B 67 9.020 7.603 -2.329 1.00 0.00 C ATOM 1031 CE1 PHE B 67 7.851 5.105 -2.225 1.00 0.00 C ATOM 1032 CE2 PHE B 67 9.788 6.471 -2.533 1.00 0.00 C ATOM 1033 CZ PHE B 67 9.202 5.221 -2.482 1.00 0.00 C ATOM 0 H PHE B 67 6.104 8.325 -4.148 1.00 0.00 H new ATOM 0 HA PHE B 67 4.985 7.654 -1.679 1.00 0.00 H new ATOM 0 HB2 PHE B 67 7.232 9.553 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE B 67 6.902 9.029 -0.800 1.00 0.00 H new ATOM 0 HD1 PHE B 67 6.032 6.140 -1.820 1.00 0.00 H new ATOM 0 HD2 PHE B 67 9.484 8.577 -2.371 1.00 0.00 H new ATOM 0 HE1 PHE B 67 7.390 4.129 -2.184 1.00 0.00 H new ATOM 0 HE2 PHE B 67 10.845 6.564 -2.732 1.00 0.00 H new ATOM 0 HZ PHE B 67 9.800 4.336 -2.643 1.00 0.00 H new ATOM 1043 N SER B 68 4.336 10.688 -2.652 1.00 0.00 N ATOM 1044 CA SER B 68 3.531 11.864 -2.351 1.00 0.00 C ATOM 1045 C SER B 68 2.098 11.451 -2.040 1.00 0.00 C ATOM 1046 O SER B 68 1.463 12.003 -1.140 1.00 0.00 O ATOM 1047 CB SER B 68 3.553 12.845 -3.524 1.00 0.00 C ATOM 1048 OG SER B 68 4.859 13.342 -3.752 1.00 0.00 O ATOM 0 H SER B 68 4.740 10.680 -3.589 1.00 0.00 H new ATOM 0 HA SER B 68 3.955 12.360 -1.478 1.00 0.00 H new ATOM 0 HB2 SER B 68 3.188 12.349 -4.423 1.00 0.00 H new ATOM 0 HB3 SER B 68 2.876 13.675 -3.320 1.00 0.00 H new ATOM 0 HG SER B 68 5.435 12.615 -4.067 1.00 0.00 H new ATOM 1054 N MET B 69 1.597 10.467 -2.787 1.00 0.00 N ATOM 1055 CA MET B 69 0.241 9.969 -2.588 1.00 0.00 C ATOM 1056 C MET B 69 0.052 9.530 -1.142 1.00 0.00 C ATOM 1057 O MET B 69 -0.962 9.836 -0.516 1.00 0.00 O ATOM 1058 CB MET B 69 -0.049 8.793 -3.531 1.00 0.00 C ATOM 1059 CG MET B 69 0.150 9.127 -4.998 1.00 0.00 C ATOM 1060 SD MET B 69 -0.292 7.760 -6.087 1.00 0.00 S ATOM 1061 CE MET B 69 0.835 6.493 -5.515 1.00 0.00 C ATOM 0 H MET B 69 2.112 10.001 -3.534 1.00 0.00 H new ATOM 0 HA MET B 69 -0.457 10.776 -2.813 1.00 0.00 H new ATOM 0 HB2 MET B 69 0.599 7.957 -3.266 1.00 0.00 H new ATOM 0 HB3 MET B 69 -1.076 8.461 -3.379 1.00 0.00 H new ATOM 0 HG2 MET B 69 -0.452 9.999 -5.253 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.192 9.399 -5.167 1.00 0.00 H new ATOM 0 HE1 MET B 69 1.356 6.058 -6.368 1.00 0.00 H new ATOM 0 HE2 MET B 69 1.561 6.934 -4.832 1.00 0.00 H new ATOM 0 HE3 MET B 69 0.275 5.715 -4.996 1.00 0.00 H new ATOM 1071 N LEU B 70 1.041 8.816 -0.617 1.00 0.00 N ATOM 1072 CA LEU B 70 0.990 8.339 0.758 1.00 0.00 C ATOM 1073 C LEU B 70 1.061 9.501 1.737 1.00 0.00 C ATOM 1074 O LEU B 70 0.390 9.501 2.761 1.00 0.00 O ATOM 1075 CB LEU B 70 2.134 7.366 1.050 1.00 0.00 C ATOM 1076 CG LEU B 70 2.256 6.164 0.109 1.00 0.00 C ATOM 1077 CD1 LEU B 70 0.888 5.577 -0.216 1.00 0.00 C ATOM 1078 CD2 LEU B 70 2.979 6.564 -1.159 1.00 0.00 C ATOM 0 H LEU B 70 1.887 8.555 -1.123 1.00 0.00 H new ATOM 0 HA LEU B 70 0.041 7.818 0.884 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.072 7.921 1.020 1.00 0.00 H new ATOM 0 HB3 LEU B 70 2.016 6.994 2.068 1.00 0.00 H new ATOM 0 HG LEU B 70 2.836 5.393 0.616 1.00 0.00 H new ATOM 0 HD11 LEU B 70 1.007 4.725 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU B 70 0.404 5.250 0.704 1.00 0.00 H new ATOM 0 HD13 LEU B 70 0.272 6.335 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU B 70 3.059 5.701 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU B 70 2.422 7.355 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU B 70 3.977 6.925 -0.910 1.00 0.00 H new ATOM 1090 N ASP B 71 1.894 10.484 1.420 1.00 0.00 N ATOM 1091 CA ASP B 71 2.065 11.649 2.281 1.00 0.00 C ATOM 1092 C ASP B 71 0.718 12.269 2.649 1.00 0.00 C ATOM 1093 O ASP B 71 0.556 12.809 3.741 1.00 0.00 O ATOM 1094 CB ASP B 71 2.952 12.687 1.589 1.00 0.00 C ATOM 1095 CG ASP B 71 3.251 13.883 2.473 1.00 0.00 C ATOM 1096 OD1 ASP B 71 2.299 14.597 2.852 1.00 0.00 O ATOM 1097 OD2 ASP B 71 4.439 14.105 2.789 1.00 0.00 O ATOM 0 H ASP B 71 2.462 10.499 0.573 1.00 0.00 H new ATOM 0 HA ASP B 71 2.547 11.321 3.202 1.00 0.00 H new ATOM 0 HB2 ASP B 71 3.889 12.217 1.291 1.00 0.00 H new ATOM 0 HB3 ASP B 71 2.462 13.028 0.677 1.00 0.00 H new ATOM 1102 N GLN B 72 -0.236 12.202 1.725 1.00 0.00 N ATOM 1103 CA GLN B 72 -1.563 12.774 1.947 1.00 0.00 C ATOM 1104 C GLN B 72 -2.461 11.851 2.780 1.00 0.00 C ATOM 1105 O GLN B 72 -3.075 12.283 3.755 1.00 0.00 O ATOM 1106 CB GLN B 72 -2.232 13.069 0.604 1.00 0.00 C ATOM 1107 CG GLN B 72 -3.528 13.854 0.723 1.00 0.00 C ATOM 1108 CD GLN B 72 -3.312 15.255 1.265 1.00 0.00 C ATOM 1109 OE1 GLN B 72 -2.584 16.053 0.676 1.00 0.00 O ATOM 1110 NE2 GLN B 72 -3.946 15.559 2.390 1.00 0.00 N ATOM 0 H GLN B 72 -0.116 11.758 0.815 1.00 0.00 H new ATOM 0 HA GLN B 72 -1.430 13.698 2.509 1.00 0.00 H new ATOM 0 HB2 GLN B 72 -1.536 13.627 -0.023 1.00 0.00 H new ATOM 0 HB3 GLN B 72 -2.434 12.127 0.095 1.00 0.00 H new ATOM 0 HG2 GLN B 72 -4.002 13.916 -0.256 1.00 0.00 H new ATOM 0 HG3 GLN B 72 -4.215 13.317 1.377 1.00 0.00 H new ATOM 0 HE21 GLN B 72 -4.540 14.865 2.844 1.00 0.00 H new ATOM 0 HE22 GLN B 72 -3.840 16.487 2.801 1.00 0.00 H new ATOM 1119 N ARG B 73 -2.552 10.586 2.376 1.00 0.00 N ATOM 1120 CA ARG B 73 -3.396 9.609 3.073 1.00 0.00 C ATOM 1121 C ARG B 73 -2.846 9.247 4.453 1.00 0.00 C ATOM 1122 O ARG B 73 -3.604 9.060 5.404 1.00 0.00 O ATOM 1123 CB ARG B 73 -3.543 8.336 2.234 1.00 0.00 C ATOM 1124 CG ARG B 73 -4.436 8.493 1.011 1.00 0.00 C ATOM 1125 CD ARG B 73 -3.865 9.484 0.009 1.00 0.00 C ATOM 1126 NE ARG B 73 -4.729 9.644 -1.157 1.00 0.00 N ATOM 1127 CZ ARG B 73 -5.972 10.117 -1.097 1.00 0.00 C ATOM 1128 NH1 ARG B 73 -6.491 10.490 0.065 1.00 0.00 N ATOM 1129 NH2 ARG B 73 -6.697 10.218 -2.203 1.00 0.00 N ATOM 0 H ARG B 73 -2.053 10.210 1.570 1.00 0.00 H new ATOM 0 HA ARG B 73 -4.371 10.076 3.213 1.00 0.00 H new ATOM 0 HB2 ARG B 73 -2.554 8.013 1.909 1.00 0.00 H new ATOM 0 HB3 ARG B 73 -3.946 7.543 2.865 1.00 0.00 H new ATOM 0 HG2 ARG B 73 -4.564 7.524 0.529 1.00 0.00 H new ATOM 0 HG3 ARG B 73 -5.425 8.825 1.325 1.00 0.00 H new ATOM 0 HD2 ARG B 73 -3.728 10.451 0.494 1.00 0.00 H new ATOM 0 HD3 ARG B 73 -2.880 9.146 -0.313 1.00 0.00 H new ATOM 0 HE ARG B 73 -4.359 9.378 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG B 73 -5.937 10.415 0.918 1.00 0.00 H new ATOM 0 HH12 ARG B 73 -7.444 10.852 0.105 1.00 0.00 H new ATOM 0 HH21 ARG B 73 -6.302 9.933 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG B 73 -7.649 10.580 -2.157 1.00 0.00 H new ATOM 1143 N PHE B 74 -1.532 9.124 4.542 1.00 0.00 N ATOM 1144 CA PHE B 74 -0.866 8.752 5.788 1.00 0.00 C ATOM 1145 C PHE B 74 -0.928 9.874 6.822 1.00 0.00 C ATOM 1146 O PHE B 74 -0.740 9.634 8.014 1.00 0.00 O ATOM 1147 CB PHE B 74 0.593 8.372 5.506 1.00 0.00 C ATOM 1148 CG PHE B 74 0.757 7.136 4.653 1.00 0.00 C ATOM 1149 CD1 PHE B 74 -0.329 6.563 4.003 1.00 0.00 C ATOM 1150 CD2 PHE B 74 2.004 6.554 4.494 1.00 0.00 C ATOM 1151 CE1 PHE B 74 -0.174 5.439 3.217 1.00 0.00 C ATOM 1152 CE2 PHE B 74 2.164 5.426 3.707 1.00 0.00 C ATOM 1153 CZ PHE B 74 1.074 4.868 3.070 1.00 0.00 C ATOM 0 H PHE B 74 -0.896 9.277 3.759 1.00 0.00 H new ATOM 0 HA PHE B 74 -1.393 7.893 6.204 1.00 0.00 H new ATOM 0 HB2 PHE B 74 1.086 9.209 5.011 1.00 0.00 H new ATOM 0 HB3 PHE B 74 1.106 8.216 6.455 1.00 0.00 H new ATOM 0 HD1 PHE B 74 -1.309 7.003 4.114 1.00 0.00 H new ATOM 0 HD2 PHE B 74 2.861 6.985 4.990 1.00 0.00 H new ATOM 0 HE1 PHE B 74 -1.028 5.007 2.717 1.00 0.00 H new ATOM 0 HE2 PHE B 74 3.142 4.983 3.592 1.00 0.00 H new ATOM 0 HZ PHE B 74 1.197 3.987 2.458 1.00 0.00 H new ATOM 1334 N THR B 89 17.897 4.941 -0.017 1.00 0.00 N ATOM 1335 CA THR B 89 16.595 4.540 -0.531 1.00 0.00 C ATOM 1336 C THR B 89 15.804 3.768 0.521 1.00 0.00 C ATOM 1337 O THR B 89 14.597 3.959 0.663 1.00 0.00 O ATOM 1338 CB THR B 89 16.736 3.673 -1.797 1.00 0.00 C ATOM 1339 OG1 THR B 89 17.482 4.380 -2.795 1.00 0.00 O ATOM 1340 CG2 THR B 89 15.372 3.296 -2.357 1.00 0.00 C ATOM 0 HA THR B 89 16.057 5.453 -0.785 1.00 0.00 H new ATOM 0 HB THR B 89 17.264 2.760 -1.522 1.00 0.00 H new ATOM 0 HG1 THR B 89 18.086 5.018 -2.361 1.00 0.00 H new ATOM 0 HG21 THR B 89 15.502 2.684 -3.250 1.00 0.00 H new ATOM 0 HG22 THR B 89 14.815 2.732 -1.609 1.00 0.00 H new ATOM 0 HG23 THR B 89 14.821 4.201 -2.614 1.00 0.00 H new ATOM 1348 N GLU B 90 16.490 2.892 1.254 1.00 0.00 N ATOM 1349 CA GLU B 90 15.845 2.087 2.288 1.00 0.00 C ATOM 1350 C GLU B 90 15.086 2.965 3.275 1.00 0.00 C ATOM 1351 O GLU B 90 13.996 2.611 3.710 1.00 0.00 O ATOM 1352 CB GLU B 90 16.872 1.247 3.047 1.00 0.00 C ATOM 1353 CG GLU B 90 17.730 0.368 2.156 1.00 0.00 C ATOM 1354 CD GLU B 90 18.773 -0.409 2.934 1.00 0.00 C ATOM 1355 OE1 GLU B 90 19.627 0.233 3.582 1.00 0.00 O ATOM 1356 OE2 GLU B 90 18.733 -1.656 2.899 1.00 0.00 O ATOM 0 H GLU B 90 17.490 2.722 1.151 1.00 0.00 H new ATOM 0 HA GLU B 90 15.139 1.424 1.787 1.00 0.00 H new ATOM 0 HB2 GLU B 90 17.521 1.912 3.617 1.00 0.00 H new ATOM 0 HB3 GLU B 90 16.350 0.617 3.767 1.00 0.00 H new ATOM 0 HG2 GLU B 90 17.090 -0.330 1.616 1.00 0.00 H new ATOM 0 HG3 GLU B 90 18.226 0.988 1.410 1.00 0.00 H new ATOM 1363 N GLU B 91 15.669 4.108 3.630 1.00 0.00 N ATOM 1364 CA GLU B 91 15.034 5.026 4.572 1.00 0.00 C ATOM 1365 C GLU B 91 13.630 5.384 4.102 1.00 0.00 C ATOM 1366 O GLU B 91 12.663 5.277 4.856 1.00 0.00 O ATOM 1367 CB GLU B 91 15.872 6.297 4.725 1.00 0.00 C ATOM 1368 CG GLU B 91 15.274 7.307 5.692 1.00 0.00 C ATOM 1369 CD GLU B 91 16.110 8.566 5.815 1.00 0.00 C ATOM 1370 OE1 GLU B 91 17.160 8.651 5.144 1.00 0.00 O ATOM 1371 OE2 GLU B 91 15.715 9.468 6.585 1.00 0.00 O ATOM 0 H GLU B 91 16.576 4.419 3.281 1.00 0.00 H new ATOM 0 HA GLU B 91 14.965 4.530 5.540 1.00 0.00 H new ATOM 0 HB2 GLU B 91 16.870 6.025 5.068 1.00 0.00 H new ATOM 0 HB3 GLU B 91 15.987 6.766 3.748 1.00 0.00 H new ATOM 0 HG2 GLU B 91 14.271 7.573 5.359 1.00 0.00 H new ATOM 0 HG3 GLU B 91 15.172 6.846 6.675 1.00 0.00 H new ATOM 1378 N LYS B 92 13.528 5.796 2.844 1.00 0.00 N ATOM 1379 CA LYS B 92 12.247 6.159 2.254 1.00 0.00 C ATOM 1380 C LYS B 92 11.347 4.927 2.171 1.00 0.00 C ATOM 1381 O LYS B 92 10.160 4.980 2.489 1.00 0.00 O ATOM 1382 CB LYS B 92 12.469 6.741 0.855 1.00 0.00 C ATOM 1383 CG LYS B 92 11.238 7.397 0.252 1.00 0.00 C ATOM 1384 CD LYS B 92 10.947 8.746 0.888 1.00 0.00 C ATOM 1385 CE LYS B 92 12.080 9.738 0.659 1.00 0.00 C ATOM 1386 NZ LYS B 92 12.256 10.066 -0.783 1.00 0.00 N ATOM 0 H LYS B 92 14.322 5.887 2.211 1.00 0.00 H new ATOM 0 HA LYS B 92 11.763 6.909 2.879 1.00 0.00 H new ATOM 0 HB2 LYS B 92 13.272 7.476 0.903 1.00 0.00 H new ATOM 0 HB3 LYS B 92 12.805 5.944 0.191 1.00 0.00 H new ATOM 0 HG2 LYS B 92 11.383 7.525 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS B 92 10.377 6.741 0.381 1.00 0.00 H new ATOM 0 HD2 LYS B 92 10.022 9.150 0.476 1.00 0.00 H new ATOM 0 HD3 LYS B 92 10.789 8.616 1.959 1.00 0.00 H new ATOM 0 HE2 LYS B 92 11.878 10.653 1.216 1.00 0.00 H new ATOM 0 HE3 LYS B 92 13.009 9.324 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 12.929 10.853 -0.880 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 12.622 9.233 -1.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 11.340 10.342 -1.191 1.00 0.00 H new ATOM 1400 N LEU B 93 11.940 3.819 1.740 1.00 0.00 N ATOM 1401 CA LEU B 93 11.232 2.551 1.599 1.00 0.00 C ATOM 1402 C LEU B 93 10.901 1.933 2.957 1.00 0.00 C ATOM 1403 O LEU B 93 10.091 1.015 3.046 1.00 0.00 O ATOM 1404 CB LEU B 93 12.061 1.572 0.757 1.00 0.00 C ATOM 1405 CG LEU B 93 12.020 1.806 -0.761 1.00 0.00 C ATOM 1406 CD1 LEU B 93 12.309 3.256 -1.099 1.00 0.00 C ATOM 1407 CD2 LEU B 93 13.009 0.897 -1.475 1.00 0.00 C ATOM 0 H LEU B 93 12.925 3.774 1.478 1.00 0.00 H new ATOM 0 HA LEU B 93 10.289 2.753 1.090 1.00 0.00 H new ATOM 0 HB2 LEU B 93 13.098 1.624 1.087 1.00 0.00 H new ATOM 0 HB3 LEU B 93 11.712 0.560 0.961 1.00 0.00 H new ATOM 0 HG LEU B 93 11.013 1.567 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU B 93 12.273 3.392 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU B 93 11.562 3.895 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU B 93 13.300 3.525 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU B 93 12.962 1.080 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU B 93 14.017 1.103 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU B 93 12.757 -0.144 -1.274 1.00 0.00 H new ATOM 1419 N ARG B 94 11.544 2.426 4.007 1.00 0.00 N ATOM 1420 CA ARG B 94 11.322 1.901 5.351 1.00 0.00 C ATOM 1421 C ARG B 94 9.954 2.298 5.900 1.00 0.00 C ATOM 1422 O ARG B 94 9.169 1.443 6.308 1.00 0.00 O ATOM 1423 CB ARG B 94 12.419 2.395 6.298 1.00 0.00 C ATOM 1424 CG ARG B 94 12.278 1.875 7.720 1.00 0.00 C ATOM 1425 CD ARG B 94 12.405 0.361 7.777 1.00 0.00 C ATOM 1426 NE ARG B 94 13.702 -0.097 7.285 1.00 0.00 N ATOM 1427 CZ ARG B 94 14.062 -1.375 7.232 1.00 0.00 C ATOM 1428 NH1 ARG B 94 13.225 -2.321 7.639 1.00 0.00 N ATOM 1429 NH2 ARG B 94 15.259 -1.710 6.772 1.00 0.00 N ATOM 0 H ARG B 94 12.222 3.186 3.956 1.00 0.00 H new ATOM 0 HA ARG B 94 11.354 0.813 5.285 1.00 0.00 H new ATOM 0 HB2 ARG B 94 13.390 2.093 5.905 1.00 0.00 H new ATOM 0 HB3 ARG B 94 12.408 3.485 6.316 1.00 0.00 H new ATOM 0 HG2 ARG B 94 13.042 2.329 8.351 1.00 0.00 H new ATOM 0 HG3 ARG B 94 11.311 2.175 8.124 1.00 0.00 H new ATOM 0 HD2 ARG B 94 12.267 0.024 8.804 1.00 0.00 H new ATOM 0 HD3 ARG B 94 11.611 -0.092 7.183 1.00 0.00 H new ATOM 0 HE ARG B 94 14.369 0.604 6.964 1.00 0.00 H new ATOM 0 HH11 ARG B 94 12.303 -2.068 7.994 1.00 0.00 H new ATOM 0 HH12 ARG B 94 13.504 -3.301 7.597 1.00 0.00 H new ATOM 0 HH21 ARG B 94 15.906 -0.986 6.458 1.00 0.00 H new ATOM 0 HH22 ARG B 94 15.534 -2.692 6.732 1.00 0.00 H new ATOM 1443 N ARG B 95 9.684 3.599 5.929 1.00 0.00 N ATOM 1444 CA ARG B 95 8.420 4.105 6.454 1.00 0.00 C ATOM 1445 C ARG B 95 7.276 3.964 5.453 1.00 0.00 C ATOM 1446 O ARG B 95 6.210 3.455 5.794 1.00 0.00 O ATOM 1447 CB ARG B 95 8.567 5.570 6.871 1.00 0.00 C ATOM 1448 CG ARG B 95 9.102 6.468 5.767 1.00 0.00 C ATOM 1449 CD ARG B 95 9.127 7.926 6.195 1.00 0.00 C ATOM 1450 NE ARG B 95 9.931 8.133 7.397 1.00 0.00 N ATOM 1451 CZ ARG B 95 11.238 7.893 7.465 1.00 0.00 C ATOM 1452 NH1 ARG B 95 11.895 7.453 6.399 1.00 0.00 N ATOM 1453 NH2 ARG B 95 11.891 8.097 8.600 1.00 0.00 N ATOM 0 H ARG B 95 10.322 4.321 5.596 1.00 0.00 H new ATOM 0 HA ARG B 95 8.171 3.498 7.324 1.00 0.00 H new ATOM 0 HB2 ARG B 95 7.596 5.946 7.195 1.00 0.00 H new ATOM 0 HB3 ARG B 95 9.234 5.629 7.731 1.00 0.00 H new ATOM 0 HG2 ARG B 95 10.109 6.151 5.495 1.00 0.00 H new ATOM 0 HG3 ARG B 95 8.482 6.360 4.877 1.00 0.00 H new ATOM 0 HD2 ARG B 95 9.526 8.535 5.383 1.00 0.00 H new ATOM 0 HD3 ARG B 95 8.108 8.267 6.378 1.00 0.00 H new ATOM 0 HE ARG B 95 9.463 8.482 8.233 1.00 0.00 H new ATOM 0 HH11 ARG B 95 11.398 7.297 5.522 1.00 0.00 H new ATOM 0 HH12 ARG B 95 12.897 7.271 6.457 1.00 0.00 H new ATOM 0 HH21 ARG B 95 11.392 8.438 9.421 1.00 0.00 H new ATOM 0 HH22 ARG B 95 12.893 7.913 8.652 1.00 0.00 H new ATOM 1467 N TYR B 96 7.486 4.438 4.230 1.00 0.00 N ATOM 1468 CA TYR B 96 6.445 4.380 3.208 1.00 0.00 C ATOM 1469 C TYR B 96 5.956 2.959 2.951 1.00 0.00 C ATOM 1470 O TYR B 96 4.754 2.735 2.853 1.00 0.00 O ATOM 1471 CB TYR B 96 6.923 5.020 1.903 1.00 0.00 C ATOM 1472 CG TYR B 96 7.039 6.526 1.986 1.00 0.00 C ATOM 1473 CD1 TYR B 96 8.087 7.125 2.670 1.00 0.00 C ATOM 1474 CD2 TYR B 96 6.097 7.347 1.381 1.00 0.00 C ATOM 1475 CE1 TYR B 96 8.194 8.500 2.751 1.00 0.00 C ATOM 1476 CE2 TYR B 96 6.196 8.723 1.458 1.00 0.00 C ATOM 1477 CZ TYR B 96 7.246 9.295 2.143 1.00 0.00 C ATOM 1478 OH TYR B 96 7.348 10.664 2.223 1.00 0.00 O ATOM 0 H TYR B 96 8.360 4.864 3.923 1.00 0.00 H new ATOM 0 HA TYR B 96 5.599 4.949 3.594 1.00 0.00 H new ATOM 0 HB2 TYR B 96 7.893 4.602 1.634 1.00 0.00 H new ATOM 0 HB3 TYR B 96 6.231 4.759 1.103 1.00 0.00 H new ATOM 0 HD1 TYR B 96 8.832 6.506 3.147 1.00 0.00 H new ATOM 0 HD2 TYR B 96 5.274 6.903 0.841 1.00 0.00 H new ATOM 0 HE1 TYR B 96 9.016 8.950 3.288 1.00 0.00 H new ATOM 0 HE2 TYR B 96 5.454 9.348 0.983 1.00 0.00 H new ATOM 0 HH TYR B 96 6.601 11.076 1.741 1.00 0.00 H new ATOM 1488 N LEU B 97 6.874 2.005 2.830 1.00 0.00 N ATOM 1489 CA LEU B 97 6.485 0.619 2.569 1.00 0.00 C ATOM 1490 C LEU B 97 5.766 -0.003 3.758 1.00 0.00 C ATOM 1491 O LEU B 97 4.700 -0.596 3.600 1.00 0.00 O ATOM 1492 CB LEU B 97 7.695 -0.227 2.181 1.00 0.00 C ATOM 1493 CG LEU B 97 7.418 -1.722 2.000 1.00 0.00 C ATOM 1494 CD1 LEU B 97 6.126 -1.957 1.231 1.00 0.00 C ATOM 1495 CD2 LEU B 97 8.586 -2.386 1.298 1.00 0.00 C ATOM 0 H LEU B 97 7.879 2.160 2.907 1.00 0.00 H new ATOM 0 HA LEU B 97 5.788 0.637 1.731 1.00 0.00 H new ATOM 0 HB2 LEU B 97 8.108 0.164 1.251 1.00 0.00 H new ATOM 0 HB3 LEU B 97 8.462 -0.107 2.946 1.00 0.00 H new ATOM 0 HG LEU B 97 7.299 -2.168 2.987 1.00 0.00 H new ATOM 0 HD11 LEU B 97 5.959 -3.028 1.120 1.00 0.00 H new ATOM 0 HD12 LEU B 97 5.292 -1.514 1.776 1.00 0.00 H new ATOM 0 HD13 LEU B 97 6.200 -1.497 0.246 1.00 0.00 H new ATOM 0 HD21 LEU B 97 8.379 -3.449 1.174 1.00 0.00 H new ATOM 0 HD22 LEU B 97 8.731 -1.928 0.320 1.00 0.00 H new ATOM 0 HD23 LEU B 97 9.489 -2.259 1.895 1.00 0.00 H new ATOM 1507 N LYS B 98 6.343 0.130 4.942 1.00 0.00 N ATOM 1508 CA LYS B 98 5.730 -0.427 6.138 1.00 0.00 C ATOM 1509 C LYS B 98 4.328 0.140 6.323 1.00 0.00 C ATOM 1510 O LYS B 98 3.412 -0.560 6.755 1.00 0.00 O ATOM 1511 CB LYS B 98 6.583 -0.129 7.371 1.00 0.00 C ATOM 1512 CG LYS B 98 5.998 -0.682 8.658 1.00 0.00 C ATOM 1513 CD LYS B 98 6.876 -0.361 9.855 1.00 0.00 C ATOM 1514 CE LYS B 98 6.275 -0.896 11.144 1.00 0.00 C ATOM 1515 NZ LYS B 98 4.928 -0.317 11.410 1.00 0.00 N ATOM 0 H LYS B 98 7.227 0.614 5.100 1.00 0.00 H new ATOM 0 HA LYS B 98 5.663 -1.508 6.017 1.00 0.00 H new ATOM 0 HB2 LYS B 98 7.579 -0.547 7.224 1.00 0.00 H new ATOM 0 HB3 LYS B 98 6.702 0.950 7.469 1.00 0.00 H new ATOM 0 HG2 LYS B 98 5.003 -0.266 8.814 1.00 0.00 H new ATOM 0 HG3 LYS B 98 5.882 -1.762 8.571 1.00 0.00 H new ATOM 0 HD2 LYS B 98 7.866 -0.792 9.707 1.00 0.00 H new ATOM 0 HD3 LYS B 98 7.006 0.718 9.933 1.00 0.00 H new ATOM 0 HE2 LYS B 98 6.199 -1.982 11.086 1.00 0.00 H new ATOM 0 HE3 LYS B 98 6.940 -0.667 11.977 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 4.647 -0.528 12.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 4.960 0.713 11.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 4.236 -0.732 10.754 1.00 0.00 H new ATOM 1529 N ARG B 99 4.174 1.417 5.994 1.00 0.00 N ATOM 1530 CA ARG B 99 2.890 2.095 6.119 1.00 0.00 C ATOM 1531 C ARG B 99 1.918 1.672 5.022 1.00 0.00 C ATOM 1532 O ARG B 99 0.780 1.314 5.308 1.00 0.00 O ATOM 1533 CB ARG B 99 3.087 3.608 6.082 1.00 0.00 C ATOM 1534 CG ARG B 99 3.826 4.160 7.290 1.00 0.00 C ATOM 1535 CD ARG B 99 3.081 3.862 8.582 1.00 0.00 C ATOM 1536 NE ARG B 99 3.775 4.396 9.750 1.00 0.00 N ATOM 1537 CZ ARG B 99 3.338 4.249 10.996 1.00 0.00 C ATOM 1538 NH1 ARG B 99 2.217 3.581 11.236 1.00 0.00 N ATOM 1539 NH2 ARG B 99 4.023 4.769 12.006 1.00 0.00 N ATOM 0 H ARG B 99 4.926 2.006 5.637 1.00 0.00 H new ATOM 0 HA ARG B 99 2.459 1.807 7.078 1.00 0.00 H new ATOM 0 HB2 ARG B 99 3.638 3.871 5.179 1.00 0.00 H new ATOM 0 HB3 ARG B 99 2.112 4.090 6.013 1.00 0.00 H new ATOM 0 HG2 ARG B 99 4.825 3.726 7.336 1.00 0.00 H new ATOM 0 HG3 ARG B 99 3.951 5.237 7.181 1.00 0.00 H new ATOM 0 HD2 ARG B 99 2.079 4.288 8.529 1.00 0.00 H new ATOM 0 HD3 ARG B 99 2.963 2.784 8.692 1.00 0.00 H new ATOM 0 HE ARG B 99 4.643 4.910 9.601 1.00 0.00 H new ATOM 0 HH11 ARG B 99 1.688 3.178 10.463 1.00 0.00 H new ATOM 0 HH12 ARG B 99 1.885 3.470 12.194 1.00 0.00 H new ATOM 0 HH21 ARG B 99 4.886 5.282 11.826 1.00 0.00 H new ATOM 0 HH22 ARG B 99 3.687 4.656 12.962 1.00 0.00 H new ATOM 1553 N THR B 100 2.362 1.726 3.769 1.00 0.00 N ATOM 1554 CA THR B 100 1.505 1.352 2.648 1.00 0.00 C ATOM 1555 C THR B 100 1.054 -0.095 2.759 1.00 0.00 C ATOM 1556 O THR B 100 -0.078 -0.425 2.420 1.00 0.00 O ATOM 1557 CB THR B 100 2.187 1.561 1.284 1.00 0.00 C ATOM 1558 OG1 THR B 100 1.328 1.103 0.238 1.00 0.00 O ATOM 1559 CG2 THR B 100 3.496 0.815 1.199 1.00 0.00 C ATOM 0 H THR B 100 3.302 2.022 3.506 1.00 0.00 H new ATOM 0 HA THR B 100 0.640 2.013 2.701 1.00 0.00 H new ATOM 0 HB THR B 100 2.385 2.627 1.174 1.00 0.00 H new ATOM 0 HG1 THR B 100 1.212 0.133 0.311 1.00 0.00 H new ATOM 0 HG21 THR B 100 3.949 0.986 0.222 1.00 0.00 H new ATOM 0 HG22 THR B 100 4.169 1.171 1.979 1.00 0.00 H new ATOM 0 HG23 THR B 100 3.316 -0.252 1.334 1.00 0.00 H new ATOM 1567 N VAL B 101 1.943 -0.952 3.239 1.00 0.00 N ATOM 1568 CA VAL B 101 1.627 -2.362 3.401 1.00 0.00 C ATOM 1569 C VAL B 101 0.459 -2.543 4.371 1.00 0.00 C ATOM 1570 O VAL B 101 -0.438 -3.352 4.131 1.00 0.00 O ATOM 1571 CB VAL B 101 2.869 -3.159 3.876 1.00 0.00 C ATOM 1572 CG1 VAL B 101 2.515 -4.165 4.956 1.00 0.00 C ATOM 1573 CG2 VAL B 101 3.541 -3.851 2.696 1.00 0.00 C ATOM 0 H VAL B 101 2.888 -0.695 3.523 1.00 0.00 H new ATOM 0 HA VAL B 101 1.329 -2.757 2.430 1.00 0.00 H new ATOM 0 HB VAL B 101 3.570 -2.447 4.312 1.00 0.00 H new ATOM 0 HG11 VAL B 101 3.413 -4.702 5.261 1.00 0.00 H new ATOM 0 HG12 VAL B 101 2.095 -3.643 5.816 1.00 0.00 H new ATOM 0 HG13 VAL B 101 1.783 -4.873 4.568 1.00 0.00 H new ATOM 0 HG21 VAL B 101 4.411 -4.406 3.047 1.00 0.00 H new ATOM 0 HG22 VAL B 101 2.836 -4.539 2.228 1.00 0.00 H new ATOM 0 HG23 VAL B 101 3.857 -3.104 1.968 1.00 0.00 H new ATOM 1583 N THR B 102 0.466 -1.773 5.458 1.00 0.00 N ATOM 1584 CA THR B 102 -0.603 -1.839 6.449 1.00 0.00 C ATOM 1585 C THR B 102 -1.846 -1.101 5.955 1.00 0.00 C ATOM 1586 O THR B 102 -2.959 -1.616 6.041 1.00 0.00 O ATOM 1587 CB THR B 102 -0.166 -1.247 7.800 1.00 0.00 C ATOM 1588 OG1 THR B 102 0.970 -1.960 8.303 1.00 0.00 O ATOM 1589 CG2 THR B 102 -1.300 -1.313 8.813 1.00 0.00 C ATOM 0 H THR B 102 1.200 -1.098 5.673 1.00 0.00 H new ATOM 0 HA THR B 102 -0.837 -2.894 6.593 1.00 0.00 H new ATOM 0 HB THR B 102 0.101 -0.202 7.644 1.00 0.00 H new ATOM 0 HG1 THR B 102 1.784 -1.620 7.877 1.00 0.00 H new ATOM 0 HG21 THR B 102 -0.967 -0.889 9.760 1.00 0.00 H new ATOM 0 HG22 THR B 102 -2.153 -0.746 8.441 1.00 0.00 H new ATOM 0 HG23 THR B 102 -1.593 -2.352 8.964 1.00 0.00 H new ATOM 1597 N GLU B 103 -1.641 0.105 5.426 1.00 0.00 N ATOM 1598 CA GLU B 103 -2.738 0.914 4.902 1.00 0.00 C ATOM 1599 C GLU B 103 -3.480 0.142 3.823 1.00 0.00 C ATOM 1600 O GLU B 103 -4.709 0.141 3.774 1.00 0.00 O ATOM 1601 CB GLU B 103 -2.205 2.232 4.332 1.00 0.00 C ATOM 1602 CG GLU B 103 -1.636 3.169 5.385 1.00 0.00 C ATOM 1603 CD GLU B 103 -2.685 3.660 6.365 1.00 0.00 C ATOM 1604 OE1 GLU B 103 -3.278 2.821 7.074 1.00 0.00 O ATOM 1605 OE2 GLU B 103 -2.914 4.887 6.420 1.00 0.00 O ATOM 0 H GLU B 103 -0.723 0.543 5.350 1.00 0.00 H new ATOM 0 HA GLU B 103 -3.426 1.141 5.716 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -1.430 2.013 3.597 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -3.011 2.741 3.803 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -0.846 2.655 5.933 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -1.177 4.026 4.892 1.00 0.00 H new ATOM 1612 N LEU B 104 -2.714 -0.532 2.978 1.00 0.00 N ATOM 1613 CA LEU B 104 -3.274 -1.341 1.908 1.00 0.00 C ATOM 1614 C LEU B 104 -4.155 -2.428 2.500 1.00 0.00 C ATOM 1615 O LEU B 104 -5.288 -2.634 2.070 1.00 0.00 O ATOM 1616 CB LEU B 104 -2.145 -1.975 1.096 1.00 0.00 C ATOM 1617 CG LEU B 104 -2.585 -2.994 0.049 1.00 0.00 C ATOM 1618 CD1 LEU B 104 -3.220 -2.296 -1.135 1.00 0.00 C ATOM 1619 CD2 LEU B 104 -1.401 -3.823 -0.410 1.00 0.00 C ATOM 0 H LEU B 104 -1.695 -0.533 3.014 1.00 0.00 H new ATOM 0 HA LEU B 104 -3.873 -0.709 1.253 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -1.590 -1.181 0.595 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -1.454 -2.462 1.784 1.00 0.00 H new ATOM 0 HG LEU B 104 -3.323 -3.656 0.502 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -3.528 -3.037 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -4.091 -1.733 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -2.498 -1.615 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -1.730 -4.546 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -0.646 -3.169 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -0.974 -4.351 0.443 1.00 0.00 H new ATOM 1631 N ASP B 105 -3.615 -3.110 3.505 1.00 0.00 N ATOM 1632 CA ASP B 105 -4.329 -4.175 4.190 1.00 0.00 C ATOM 1633 C ASP B 105 -5.549 -3.619 4.915 1.00 0.00 C ATOM 1634 O ASP B 105 -6.546 -4.314 5.098 1.00 0.00 O ATOM 1635 CB ASP B 105 -3.401 -4.876 5.185 1.00 0.00 C ATOM 1636 CG ASP B 105 -4.086 -6.012 5.916 1.00 0.00 C ATOM 1637 OD1 ASP B 105 -4.540 -6.963 5.245 1.00 0.00 O ATOM 1638 OD2 ASP B 105 -4.165 -5.955 7.161 1.00 0.00 O ATOM 0 H ASP B 105 -2.676 -2.939 3.864 1.00 0.00 H new ATOM 0 HA ASP B 105 -4.666 -4.899 3.448 1.00 0.00 H new ATOM 0 HB2 ASP B 105 -2.530 -5.262 4.655 1.00 0.00 H new ATOM 0 HB3 ASP B 105 -3.036 -4.149 5.911 1.00 0.00 H new ATOM 1643 N SER B 106 -5.454 -2.360 5.334 1.00 0.00 N ATOM 1644 CA SER B 106 -6.544 -1.705 6.048 1.00 0.00 C ATOM 1645 C SER B 106 -7.708 -1.385 5.117 1.00 0.00 C ATOM 1646 O SER B 106 -8.824 -1.856 5.326 1.00 0.00 O ATOM 1647 CB SER B 106 -6.042 -0.421 6.711 1.00 0.00 C ATOM 1648 OG SER B 106 -5.023 -0.698 7.656 1.00 0.00 O ATOM 0 H SER B 106 -4.632 -1.773 5.191 1.00 0.00 H new ATOM 0 HA SER B 106 -6.902 -2.394 6.813 1.00 0.00 H new ATOM 0 HB2 SER B 106 -5.661 0.260 5.950 1.00 0.00 H new ATOM 0 HB3 SER B 106 -6.872 0.085 7.204 1.00 0.00 H new ATOM 0 HG SER B 106 -4.224 -1.022 7.190 1.00 0.00 H new ATOM 1654 N VAL B 107 -7.444 -0.574 4.095 1.00 0.00 N ATOM 1655 CA VAL B 107 -8.478 -0.184 3.143 1.00 0.00 C ATOM 1656 C VAL B 107 -9.110 -1.405 2.481 1.00 0.00 C ATOM 1657 O VAL B 107 -10.327 -1.458 2.304 1.00 0.00 O ATOM 1658 CB VAL B 107 -7.927 0.774 2.066 1.00 0.00 C ATOM 1659 CG1 VAL B 107 -6.812 0.123 1.266 1.00 0.00 C ATOM 1660 CG2 VAL B 107 -9.033 1.243 1.144 1.00 0.00 C ATOM 0 H VAL B 107 -6.524 -0.175 3.906 1.00 0.00 H new ATOM 0 HA VAL B 107 -9.247 0.343 3.708 1.00 0.00 H new ATOM 0 HB VAL B 107 -7.513 1.642 2.579 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -6.446 0.824 0.516 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -5.997 -0.152 1.935 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -7.193 -0.771 0.772 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -8.620 1.917 0.394 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -9.484 0.383 0.650 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -9.792 1.768 1.724 1.00 0.00 H new ATOM 1670 N THR B 108 -8.289 -2.392 2.132 1.00 0.00 N ATOM 1671 CA THR B 108 -8.796 -3.609 1.509 1.00 0.00 C ATOM 1672 C THR B 108 -9.682 -4.366 2.492 1.00 0.00 C ATOM 1673 O THR B 108 -10.704 -4.939 2.115 1.00 0.00 O ATOM 1674 CB THR B 108 -7.658 -4.535 1.030 1.00 0.00 C ATOM 1675 OG1 THR B 108 -8.201 -5.623 0.272 1.00 0.00 O ATOM 1676 CG2 THR B 108 -6.866 -5.087 2.206 1.00 0.00 C ATOM 0 H THR B 108 -7.278 -2.373 2.269 1.00 0.00 H new ATOM 0 HA THR B 108 -9.374 -3.309 0.635 1.00 0.00 H new ATOM 0 HB THR B 108 -6.986 -3.946 0.405 1.00 0.00 H new ATOM 0 HG1 THR B 108 -7.474 -6.206 -0.030 1.00 0.00 H new ATOM 0 HG21 THR B 108 -6.071 -5.736 1.837 1.00 0.00 H new ATOM 0 HG22 THR B 108 -6.429 -4.263 2.770 1.00 0.00 H new ATOM 0 HG23 THR B 108 -7.529 -5.659 2.855 1.00 0.00 H new ATOM 1684 N ALA B 109 -9.280 -4.351 3.761 1.00 0.00 N ATOM 1685 CA ALA B 109 -10.029 -5.020 4.815 1.00 0.00 C ATOM 1686 C ALA B 109 -11.390 -4.367 5.008 1.00 0.00 C ATOM 1687 O ALA B 109 -12.385 -5.044 5.258 1.00 0.00 O ATOM 1688 CB ALA B 109 -9.244 -4.998 6.117 1.00 0.00 C ATOM 0 H ALA B 109 -8.435 -3.879 4.082 1.00 0.00 H new ATOM 0 HA ALA B 109 -10.186 -6.057 4.517 1.00 0.00 H new ATOM 0 HB1 ALA B 109 -9.817 -5.502 6.896 1.00 0.00 H new ATOM 0 HB2 ALA B 109 -8.293 -5.511 5.977 1.00 0.00 H new ATOM 0 HB3 ALA B 109 -9.059 -3.965 6.413 1.00 0.00 H new ATOM 1694 N ARG B 110 -11.424 -3.044 4.899 1.00 0.00 N ATOM 1695 CA ARG B 110 -12.664 -2.297 5.066 1.00 0.00 C ATOM 1696 C ARG B 110 -13.526 -2.392 3.810 1.00 0.00 C ATOM 1697 O ARG B 110 -14.745 -2.275 3.879 1.00 0.00 O ATOM 1698 CB ARG B 110 -12.373 -0.827 5.384 1.00 0.00 C ATOM 1699 CG ARG B 110 -11.274 -0.620 6.418 1.00 0.00 C ATOM 1700 CD ARG B 110 -11.473 -1.491 7.648 1.00 0.00 C ATOM 1701 NE ARG B 110 -10.405 -1.302 8.626 1.00 0.00 N ATOM 1702 CZ ARG B 110 -10.279 -2.029 9.732 1.00 0.00 C ATOM 1703 NH1 ARG B 110 -11.134 -3.010 9.988 1.00 0.00 N ATOM 1704 NH2 ARG B 110 -9.289 -1.782 10.579 1.00 0.00 N ATOM 0 H ARG B 110 -10.608 -2.467 4.696 1.00 0.00 H new ATOM 0 HA ARG B 110 -13.209 -2.737 5.901 1.00 0.00 H new ATOM 0 HB2 ARG B 110 -12.092 -0.316 4.463 1.00 0.00 H new ATOM 0 HB3 ARG B 110 -13.288 -0.356 5.743 1.00 0.00 H new ATOM 0 HG2 ARG B 110 -10.307 -0.845 5.968 1.00 0.00 H new ATOM 0 HG3 ARG B 110 -11.251 0.428 6.717 1.00 0.00 H new ATOM 0 HD2 ARG B 110 -12.433 -1.256 8.108 1.00 0.00 H new ATOM 0 HD3 ARG B 110 -11.511 -2.539 7.349 1.00 0.00 H new ATOM 0 HE ARG B 110 -9.716 -0.570 8.451 1.00 0.00 H new ATOM 0 HH11 ARG B 110 -11.892 -3.209 9.335 1.00 0.00 H new ATOM 0 HH12 ARG B 110 -11.034 -3.565 10.838 1.00 0.00 H new ATOM 0 HH21 ARG B 110 -8.624 -1.034 10.382 1.00 0.00 H new ATOM 0 HH22 ARG B 110 -9.193 -2.340 11.427 1.00 0.00 H new ATOM 1718 N LEU B 111 -12.878 -2.589 2.664 1.00 0.00 N ATOM 1719 CA LEU B 111 -13.578 -2.683 1.384 1.00 0.00 C ATOM 1720 C LEU B 111 -14.714 -3.700 1.429 1.00 0.00 C ATOM 1721 O LEU B 111 -15.828 -3.417 0.986 1.00 0.00 O ATOM 1722 CB LEU B 111 -12.601 -3.065 0.268 1.00 0.00 C ATOM 1723 CG LEU B 111 -12.462 -2.043 -0.861 1.00 0.00 C ATOM 1724 CD1 LEU B 111 -11.660 -2.630 -2.012 1.00 0.00 C ATOM 1725 CD2 LEU B 111 -13.827 -1.587 -1.341 1.00 0.00 C ATOM 0 H LEU B 111 -11.865 -2.687 2.595 1.00 0.00 H new ATOM 0 HA LEU B 111 -14.007 -1.702 1.181 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -11.618 -3.229 0.709 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -12.920 -4.015 -0.162 1.00 0.00 H new ATOM 0 HG LEU B 111 -11.928 -1.175 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -11.570 -1.890 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -10.666 -2.906 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -12.168 -3.515 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -13.706 -0.860 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -14.388 -2.445 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -14.369 -1.127 -0.514 1.00 0.00 H new ATOM 1737 N ARG B 112 -14.424 -4.885 1.951 1.00 0.00 N ATOM 1738 CA ARG B 112 -15.420 -5.948 2.037 1.00 0.00 C ATOM 1739 C ARG B 112 -16.671 -5.481 2.780 1.00 0.00 C ATOM 1740 O ARG B 112 -17.792 -5.788 2.377 1.00 0.00 O ATOM 1741 CB ARG B 112 -14.824 -7.171 2.738 1.00 0.00 C ATOM 1742 CG ARG B 112 -14.327 -6.881 4.144 1.00 0.00 C ATOM 1743 CD ARG B 112 -13.798 -8.133 4.823 1.00 0.00 C ATOM 1744 NE ARG B 112 -14.825 -9.163 4.943 1.00 0.00 N ATOM 1745 CZ ARG B 112 -14.628 -10.334 5.539 1.00 0.00 C ATOM 1746 NH1 ARG B 112 -13.450 -10.620 6.077 1.00 0.00 N ATOM 1747 NH2 ARG B 112 -15.613 -11.221 5.599 1.00 0.00 N ATOM 0 H ARG B 112 -13.507 -5.135 2.322 1.00 0.00 H new ATOM 0 HA ARG B 112 -15.711 -6.217 1.022 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -15.577 -7.957 2.782 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -13.997 -7.555 2.141 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -13.539 -6.129 4.103 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -15.139 -6.461 4.737 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -12.955 -8.526 4.254 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -13.423 -7.877 5.814 1.00 0.00 H new ATOM 0 HE ARG B 112 -15.746 -8.973 4.547 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -12.691 -9.940 6.034 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -13.303 -11.520 6.534 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -16.521 -11.004 5.188 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -15.462 -12.120 6.056 1.00 0.00 H new ATOM 1761 N GLU B 113 -16.469 -4.751 3.870 1.00 0.00 N ATOM 1762 CA GLU B 113 -17.577 -4.253 4.680 1.00 0.00 C ATOM 1763 C GLU B 113 -18.225 -3.016 4.057 1.00 0.00 C ATOM 1764 O GLU B 113 -19.440 -2.838 4.137 1.00 0.00 O ATOM 1765 CB GLU B 113 -17.092 -3.939 6.094 1.00 0.00 C ATOM 1766 CG GLU B 113 -16.492 -5.142 6.806 1.00 0.00 C ATOM 1767 CD GLU B 113 -16.031 -4.823 8.215 1.00 0.00 C ATOM 1768 OE1 GLU B 113 -16.181 -3.659 8.642 1.00 0.00 O ATOM 1769 OE2 GLU B 113 -15.520 -5.739 8.893 1.00 0.00 O ATOM 0 H GLU B 113 -15.546 -4.489 4.215 1.00 0.00 H new ATOM 0 HA GLU B 113 -18.335 -5.035 4.722 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -16.347 -3.145 6.047 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -17.928 -3.558 6.681 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -17.231 -5.942 6.843 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -15.647 -5.516 6.228 1.00 0.00 H new ATOM 1776 N VAL B 114 -17.408 -2.160 3.447 1.00 0.00 N ATOM 1777 CA VAL B 114 -17.905 -0.937 2.822 1.00 0.00 C ATOM 1778 C VAL B 114 -19.010 -1.235 1.812 1.00 0.00 C ATOM 1779 O VAL B 114 -20.045 -0.569 1.804 1.00 0.00 O ATOM 1780 CB VAL B 114 -16.755 -0.142 2.153 1.00 0.00 C ATOM 1781 CG1 VAL B 114 -17.081 0.254 0.726 1.00 0.00 C ATOM 1782 CG2 VAL B 114 -16.430 1.098 2.959 1.00 0.00 C ATOM 0 H VAL B 114 -16.399 -2.291 3.372 1.00 0.00 H new ATOM 0 HA VAL B 114 -18.331 -0.319 3.613 1.00 0.00 H new ATOM 0 HB VAL B 114 -15.889 -0.803 2.126 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -16.244 0.809 0.302 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -17.261 -0.642 0.132 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -17.973 0.880 0.717 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -15.620 1.645 2.475 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -17.313 1.735 3.019 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -16.123 0.809 3.964 1.00 0.00 H new ATOM 1792 N GLU B 115 -18.799 -2.242 0.972 1.00 0.00 N ATOM 1793 CA GLU B 115 -19.798 -2.618 -0.021 1.00 0.00 C ATOM 1794 C GLU B 115 -21.004 -3.262 0.657 1.00 0.00 C ATOM 1795 O GLU B 115 -22.148 -3.024 0.272 1.00 0.00 O ATOM 1796 CB GLU B 115 -19.205 -3.575 -1.055 1.00 0.00 C ATOM 1797 CG GLU B 115 -18.708 -4.884 -0.459 1.00 0.00 C ATOM 1798 CD GLU B 115 -18.079 -5.802 -1.490 1.00 0.00 C ATOM 1799 OE1 GLU B 115 -18.046 -5.425 -2.681 1.00 0.00 O ATOM 1800 OE2 GLU B 115 -17.621 -6.898 -1.106 1.00 0.00 O ATOM 0 H GLU B 115 -17.951 -2.809 0.958 1.00 0.00 H new ATOM 0 HA GLU B 115 -20.122 -1.713 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU B 115 -19.960 -3.793 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU B 115 -18.378 -3.080 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU B 115 -17.978 -4.668 0.321 1.00 0.00 H new ATOM 0 HG3 GLU B 115 -19.541 -5.399 0.018 1.00 0.00 H new