USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 843 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 MET CE :methyl -179:sc= -0.0136 (180deg=-0.0158) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.755 (180deg=0.403) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 110:sc= -1.15 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc=0.000261 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 28 MET CE :methyl 165:sc= -0.136 (180deg=-0.55) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 1.26 (180deg=0.905) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.46 K(o=-0.46,f=-5.1!) USER MOD Single : A 54 CYS SG : rot 50:sc= -0.938 USER MOD Single : A 55 ASN : amide:sc= -0.265 K(o=-0.26,f=-3.8!) USER MOD Single : A 57 MET CE :methyl -152:sc= -1.72 (180deg=-2.83) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 165:sc= -0.177 (180deg=-0.507) USER MOD Single : A 64 ASN : amide:sc= 0.135 K(o=0.13,f=-1.9) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0.251 K(o=0.25,f=-1.2) USER MOD Single : A 80 HIS : no HD1:sc= -0.85 X(o=-0.85,f=-0.67) USER MOD Single : A 82 HIS : no HD1:sc= 0.239 K(o=0.24,f=-1.6!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= -0.0435 (180deg=-0.283) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 102 HIS : no HD1:sc= -0.296 K(o=-0.3,f=-0.86) USER MOD Single : A 103 HIS :FLIP no HE2:sc= 0.192 F(o=-1.2,f=0.19) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.274 -9.420 -3.701 1.00 0.00 N ATOM 2 CA MET A 1 -5.588 -8.894 -4.909 1.00 0.00 C ATOM 3 C MET A 1 -4.344 -8.122 -4.499 1.00 0.00 C ATOM 4 O MET A 1 -4.085 -7.954 -3.313 1.00 0.00 O ATOM 5 CB MET A 1 -6.536 -7.986 -5.692 1.00 0.00 C ATOM 6 CG MET A 1 -6.906 -6.711 -4.956 1.00 0.00 C ATOM 7 SD MET A 1 -8.430 -5.980 -5.562 1.00 0.00 S ATOM 8 CE MET A 1 -7.987 -5.539 -7.240 1.00 0.00 C ATOM 0 H1 MET A 1 -7.243 -9.705 -3.948 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.754 -10.244 -3.337 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.306 -8.681 -2.970 1.00 0.00 H new ATOM 0 HA MET A 1 -5.294 -9.728 -5.546 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.072 -7.725 -6.643 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.446 -8.539 -5.923 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.009 -6.927 -3.893 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.096 -5.989 -5.058 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.836 -5.059 -7.726 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.142 -4.851 -7.224 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.713 -6.438 -7.792 1.00 0.00 H new ATOM 20 N LYS A 2 -3.577 -7.643 -5.470 1.00 0.00 N ATOM 21 CA LYS A 2 -2.391 -6.855 -5.164 1.00 0.00 C ATOM 22 C LYS A 2 -2.751 -5.392 -4.983 1.00 0.00 C ATOM 23 O LYS A 2 -3.712 -4.902 -5.575 1.00 0.00 O ATOM 24 CB LYS A 2 -1.341 -6.983 -6.266 1.00 0.00 C ATOM 25 CG LYS A 2 -0.352 -8.120 -6.058 1.00 0.00 C ATOM 26 CD LYS A 2 -1.026 -9.480 -6.059 1.00 0.00 C ATOM 27 CE LYS A 2 -0.047 -10.578 -5.685 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.698 -11.913 -5.660 1.00 0.00 N ATOM 0 H LYS A 2 -3.752 -7.784 -6.465 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.974 -7.243 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.848 -7.128 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.789 -6.046 -6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.402 -8.091 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.169 -7.976 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.859 -9.477 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.443 -9.681 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.777 -10.589 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.382 -10.364 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.003 -12.636 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.468 -11.911 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.085 -12.128 -6.601 1.00 0.00 H new ATOM 42 N LEU A 3 -1.971 -4.703 -4.163 1.00 0.00 N ATOM 43 CA LEU A 3 -2.136 -3.271 -3.968 1.00 0.00 C ATOM 44 C LEU A 3 -1.831 -2.525 -5.267 1.00 0.00 C ATOM 45 O LEU A 3 -2.425 -1.491 -5.561 1.00 0.00 O ATOM 46 CB LEU A 3 -1.224 -2.798 -2.828 1.00 0.00 C ATOM 47 CG LEU A 3 -1.241 -1.299 -2.532 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.663 -0.798 -2.322 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.398 -1.000 -1.309 1.00 0.00 C ATOM 0 H LEU A 3 -1.213 -5.116 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.169 -3.057 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.506 -3.330 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.201 -3.090 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.821 -0.778 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.645 0.272 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.250 -0.982 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.114 -1.324 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.417 0.071 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.799 -1.538 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.629 -1.317 -1.489 1.00 0.00 H new ATOM 61 N SER A 4 -0.920 -3.083 -6.051 1.00 0.00 N ATOM 62 CA SER A 4 -0.569 -2.519 -7.347 1.00 0.00 C ATOM 63 C SER A 4 -1.642 -2.823 -8.392 1.00 0.00 C ATOM 64 O SER A 4 -1.680 -2.208 -9.457 1.00 0.00 O ATOM 65 CB SER A 4 0.773 -3.089 -7.800 1.00 0.00 C ATOM 66 OG SER A 4 0.756 -4.508 -7.760 1.00 0.00 O ATOM 0 H SER A 4 -0.407 -3.931 -5.810 1.00 0.00 H new ATOM 0 HA SER A 4 -0.497 -1.436 -7.245 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.994 -2.752 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.569 -2.712 -7.158 1.00 0.00 H new ATOM 0 HG SER A 4 0.764 -4.861 -8.674 1.00 0.00 H new ATOM 72 N GLU A 5 -2.513 -3.773 -8.074 1.00 0.00 N ATOM 73 CA GLU A 5 -3.541 -4.213 -9.009 1.00 0.00 C ATOM 74 C GLU A 5 -4.854 -3.483 -8.764 1.00 0.00 C ATOM 75 O GLU A 5 -5.854 -3.742 -9.431 1.00 0.00 O ATOM 76 CB GLU A 5 -3.746 -5.723 -8.907 1.00 0.00 C ATOM 77 CG GLU A 5 -2.546 -6.526 -9.384 1.00 0.00 C ATOM 78 CD GLU A 5 -2.199 -6.243 -10.830 1.00 0.00 C ATOM 79 OE1 GLU A 5 -2.757 -6.919 -11.719 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.375 -5.344 -11.088 1.00 0.00 O ATOM 0 H GLU A 5 -2.528 -4.254 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.203 -3.973 -10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.961 -5.984 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.620 -6.005 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.686 -6.296 -8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.753 -7.589 -9.265 1.00 0.00 H new ATOM 87 N LEU A 6 -4.839 -2.573 -7.803 1.00 0.00 N ATOM 88 CA LEU A 6 -6.011 -1.763 -7.494 1.00 0.00 C ATOM 89 C LEU A 6 -6.205 -0.643 -8.510 1.00 0.00 C ATOM 90 O LEU A 6 -5.464 -0.530 -9.491 1.00 0.00 O ATOM 91 CB LEU A 6 -5.900 -1.167 -6.089 1.00 0.00 C ATOM 92 CG LEU A 6 -6.291 -2.110 -4.951 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.015 -1.457 -3.609 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.760 -2.486 -5.056 1.00 0.00 C ATOM 0 H LEU A 6 -4.026 -2.375 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.879 -2.421 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.873 -0.838 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.530 -0.279 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.691 -3.017 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.298 -2.139 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.953 -1.224 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.595 -0.538 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.023 -3.158 -4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.371 -1.585 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.941 -2.985 -6.008 1.00 0.00 H new ATOM 106 N LYS A 7 -7.216 0.176 -8.266 1.00 0.00 N ATOM 107 CA LYS A 7 -7.521 1.312 -9.119 1.00 0.00 C ATOM 108 C LYS A 7 -7.438 2.596 -8.309 1.00 0.00 C ATOM 109 O LYS A 7 -7.697 2.588 -7.101 1.00 0.00 O ATOM 110 CB LYS A 7 -8.928 1.179 -9.711 1.00 0.00 C ATOM 111 CG LYS A 7 -9.201 -0.153 -10.392 1.00 0.00 C ATOM 112 CD LYS A 7 -8.371 -0.322 -11.650 1.00 0.00 C ATOM 113 CE LYS A 7 -8.633 -1.665 -12.316 1.00 0.00 C ATOM 114 NZ LYS A 7 -7.811 -1.833 -13.540 1.00 0.00 N ATOM 0 H LYS A 7 -7.847 0.071 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.796 1.339 -9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.659 1.322 -8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.082 1.981 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.983 -0.967 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.259 -0.223 -10.643 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.600 0.482 -12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.313 -0.238 -11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.412 -2.470 -11.615 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.689 -1.746 -12.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.013 -2.758 -13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.040 -1.079 -14.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.803 -1.780 -13.291 1.00 0.00 H new ATOM 128 N ALA A 8 -7.076 3.689 -8.963 1.00 0.00 N ATOM 129 CA ALA A 8 -7.009 4.980 -8.301 1.00 0.00 C ATOM 130 C ALA A 8 -8.408 5.426 -7.896 1.00 0.00 C ATOM 131 O ALA A 8 -9.216 5.816 -8.742 1.00 0.00 O ATOM 132 CB ALA A 8 -6.353 6.014 -9.205 1.00 0.00 C ATOM 0 H ALA A 8 -6.824 3.707 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.398 4.885 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.313 6.974 -8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.341 5.692 -9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.935 6.118 -10.121 1.00 0.00 H new ATOM 138 N GLY A 9 -8.688 5.341 -6.604 1.00 0.00 N ATOM 139 CA GLY A 9 -10.006 5.656 -6.099 1.00 0.00 C ATOM 140 C GLY A 9 -10.588 4.514 -5.292 1.00 0.00 C ATOM 141 O GLY A 9 -11.506 4.710 -4.497 1.00 0.00 O ATOM 0 H GLY A 9 -8.017 5.056 -5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.953 6.550 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.669 5.886 -6.933 1.00 0.00 H new ATOM 145 N ASP A 10 -10.043 3.318 -5.492 1.00 0.00 N ATOM 146 CA ASP A 10 -10.511 2.138 -4.774 1.00 0.00 C ATOM 147 C ASP A 10 -9.964 2.103 -3.359 1.00 0.00 C ATOM 148 O ASP A 10 -8.817 2.489 -3.109 1.00 0.00 O ATOM 149 CB ASP A 10 -10.132 0.845 -5.501 1.00 0.00 C ATOM 150 CG ASP A 10 -11.233 0.358 -6.419 1.00 0.00 C ATOM 151 OD1 ASP A 10 -11.258 0.756 -7.600 1.00 0.00 O ATOM 152 OD2 ASP A 10 -12.090 -0.428 -5.960 1.00 0.00 O ATOM 0 H ASP A 10 -9.279 3.141 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.598 2.206 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.224 1.010 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.905 0.071 -4.767 1.00 0.00 H new ATOM 157 N ARG A 11 -10.789 1.633 -2.440 1.00 0.00 N ATOM 158 CA ARG A 11 -10.416 1.539 -1.041 1.00 0.00 C ATOM 159 C ARG A 11 -10.330 0.077 -0.635 1.00 0.00 C ATOM 160 O ARG A 11 -11.259 -0.695 -0.871 1.00 0.00 O ATOM 161 CB ARG A 11 -11.438 2.275 -0.175 1.00 0.00 C ATOM 162 CG ARG A 11 -11.023 2.424 1.277 1.00 0.00 C ATOM 163 CD ARG A 11 -12.056 3.208 2.070 1.00 0.00 C ATOM 164 NE ARG A 11 -12.316 4.527 1.486 1.00 0.00 N ATOM 165 CZ ARG A 11 -12.159 5.679 2.140 1.00 0.00 C ATOM 166 NH1 ARG A 11 -11.741 5.685 3.403 1.00 0.00 N ATOM 167 NH2 ARG A 11 -12.431 6.829 1.536 1.00 0.00 N ATOM 0 H ARG A 11 -11.734 1.307 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.442 2.005 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.610 3.265 -0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.387 1.741 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.891 1.438 1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.059 2.930 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.986 2.641 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.709 3.329 3.096 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.637 4.567 0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.538 4.805 3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.623 6.570 3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.761 6.833 0.571 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.311 7.709 2.037 1.00 0.00 H new ATOM 181 N ALA A 12 -9.220 -0.304 -0.032 1.00 0.00 N ATOM 182 CA ALA A 12 -8.999 -1.690 0.330 1.00 0.00 C ATOM 183 C ALA A 12 -8.398 -1.796 1.721 1.00 0.00 C ATOM 184 O ALA A 12 -8.072 -0.788 2.350 1.00 0.00 O ATOM 185 CB ALA A 12 -8.088 -2.355 -0.689 1.00 0.00 C ATOM 0 H ALA A 12 -8.458 0.327 0.217 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.961 -2.203 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.928 -3.396 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.552 -2.312 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.131 -1.835 -0.715 1.00 0.00 H new ATOM 191 N GLU A 13 -8.270 -3.018 2.198 1.00 0.00 N ATOM 192 CA GLU A 13 -7.642 -3.279 3.480 1.00 0.00 C ATOM 193 C GLU A 13 -6.500 -4.274 3.290 1.00 0.00 C ATOM 194 O GLU A 13 -6.657 -5.279 2.595 1.00 0.00 O ATOM 195 CB GLU A 13 -8.675 -3.819 4.470 1.00 0.00 C ATOM 196 CG GLU A 13 -8.150 -3.967 5.886 1.00 0.00 C ATOM 197 CD GLU A 13 -9.213 -4.453 6.845 1.00 0.00 C ATOM 198 OE1 GLU A 13 -9.466 -5.672 6.889 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.792 -3.618 7.577 1.00 0.00 O ATOM 0 H GLU A 13 -8.596 -3.854 1.712 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.237 -2.352 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.537 -3.152 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.027 -4.789 4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.314 -4.666 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.765 -3.007 6.230 1.00 0.00 H new ATOM 206 N VAL A 14 -5.351 -3.976 3.878 1.00 0.00 N ATOM 207 CA VAL A 14 -4.173 -4.823 3.725 1.00 0.00 C ATOM 208 C VAL A 14 -4.353 -6.147 4.453 1.00 0.00 C ATOM 209 O VAL A 14 -4.593 -6.175 5.663 1.00 0.00 O ATOM 210 CB VAL A 14 -2.901 -4.136 4.259 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.693 -5.049 4.115 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.659 -2.823 3.543 1.00 0.00 C ATOM 0 H VAL A 14 -5.207 -3.155 4.466 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.058 -5.003 2.656 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.050 -3.928 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.807 -4.543 4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.860 -5.966 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.545 -5.293 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.756 -2.355 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.537 -3.008 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.509 -2.160 3.702 1.00 0.00 H new ATOM 222 N THR A 15 -4.232 -7.239 3.712 1.00 0.00 N ATOM 223 CA THR A 15 -4.331 -8.565 4.292 1.00 0.00 C ATOM 224 C THR A 15 -2.945 -9.125 4.591 1.00 0.00 C ATOM 225 O THR A 15 -2.718 -9.710 5.648 1.00 0.00 O ATOM 226 CB THR A 15 -5.096 -9.530 3.363 1.00 0.00 C ATOM 227 OG1 THR A 15 -4.553 -9.477 2.039 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.576 -9.181 3.322 1.00 0.00 C ATOM 0 H THR A 15 -4.065 -7.230 2.706 1.00 0.00 H new ATOM 0 HA THR A 15 -4.888 -8.474 5.224 1.00 0.00 H new ATOM 0 HB THR A 15 -4.985 -10.540 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.045 -10.094 1.459 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.095 -9.875 2.661 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.995 -9.254 4.326 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.700 -8.164 2.950 1.00 0.00 H new ATOM 236 N SER A 16 -2.011 -8.913 3.675 1.00 0.00 N ATOM 237 CA SER A 16 -0.647 -9.408 3.837 1.00 0.00 C ATOM 238 C SER A 16 0.330 -8.531 3.059 1.00 0.00 C ATOM 239 O SER A 16 -0.023 -7.962 2.029 1.00 0.00 O ATOM 240 CB SER A 16 -0.540 -10.855 3.345 1.00 0.00 C ATOM 241 OG SER A 16 -1.443 -11.707 4.033 1.00 0.00 O ATOM 0 H SER A 16 -2.171 -8.400 2.808 1.00 0.00 H new ATOM 0 HA SER A 16 -0.395 -9.373 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.746 -10.893 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.480 -11.214 3.486 1.00 0.00 H new ATOM 0 HG SER A 16 -1.351 -12.622 3.695 1.00 0.00 H new ATOM 247 N VAL A 17 1.552 -8.412 3.564 1.00 0.00 N ATOM 248 CA VAL A 17 2.581 -7.606 2.916 1.00 0.00 C ATOM 249 C VAL A 17 3.818 -8.456 2.645 1.00 0.00 C ATOM 250 O VAL A 17 4.426 -8.989 3.573 1.00 0.00 O ATOM 251 CB VAL A 17 2.993 -6.391 3.782 1.00 0.00 C ATOM 252 CG1 VAL A 17 4.027 -5.537 3.060 1.00 0.00 C ATOM 253 CG2 VAL A 17 1.783 -5.555 4.159 1.00 0.00 C ATOM 0 H VAL A 17 1.856 -8.866 4.425 1.00 0.00 H new ATOM 0 HA VAL A 17 2.160 -7.238 1.980 1.00 0.00 H new ATOM 0 HB VAL A 17 3.442 -6.772 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.301 -4.689 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.913 -6.137 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.607 -5.173 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.101 -4.708 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.297 -5.190 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.081 -6.166 4.727 1.00 0.00 H new ATOM 263 N ALA A 18 4.164 -8.607 1.377 1.00 0.00 N ATOM 264 CA ALA A 18 5.364 -9.335 0.993 1.00 0.00 C ATOM 265 C ALA A 18 6.454 -8.368 0.545 1.00 0.00 C ATOM 266 O ALA A 18 6.421 -7.858 -0.576 1.00 0.00 O ATOM 267 CB ALA A 18 5.050 -10.340 -0.107 1.00 0.00 C ATOM 0 H ALA A 18 3.629 -8.234 0.593 1.00 0.00 H new ATOM 0 HA ALA A 18 5.729 -9.883 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.959 -10.875 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.305 -11.050 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.661 -9.815 -0.979 1.00 0.00 H new ATOM 273 N ALA A 19 7.407 -8.103 1.425 1.00 0.00 N ATOM 274 CA ALA A 19 8.496 -7.186 1.121 1.00 0.00 C ATOM 275 C ALA A 19 9.708 -7.496 1.983 1.00 0.00 C ATOM 276 O ALA A 19 9.705 -8.463 2.748 1.00 0.00 O ATOM 277 CB ALA A 19 8.057 -5.743 1.337 1.00 0.00 C ATOM 0 H ALA A 19 7.449 -8.511 2.359 1.00 0.00 H new ATOM 0 HA ALA A 19 8.768 -7.315 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.884 -5.072 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.213 -5.518 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.759 -5.605 2.376 1.00 0.00 H new ATOM 283 N GLU A 20 10.749 -6.688 1.845 1.00 0.00 N ATOM 284 CA GLU A 20 11.909 -6.794 2.713 1.00 0.00 C ATOM 285 C GLU A 20 11.505 -6.441 4.140 1.00 0.00 C ATOM 286 O GLU A 20 10.674 -5.556 4.346 1.00 0.00 O ATOM 287 CB GLU A 20 13.027 -5.852 2.248 1.00 0.00 C ATOM 288 CG GLU A 20 13.656 -6.215 0.906 1.00 0.00 C ATOM 289 CD GLU A 20 12.680 -6.157 -0.256 1.00 0.00 C ATOM 290 OE1 GLU A 20 11.951 -5.151 -0.381 1.00 0.00 O ATOM 291 OE2 GLU A 20 12.651 -7.115 -1.057 1.00 0.00 O ATOM 0 H GLU A 20 10.813 -5.953 1.141 1.00 0.00 H new ATOM 0 HA GLU A 20 12.282 -7.817 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.626 -4.840 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.809 -5.837 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.486 -5.537 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.074 -7.220 0.969 1.00 0.00 H new ATOM 298 N PRO A 21 12.088 -7.115 5.144 1.00 0.00 N ATOM 299 CA PRO A 21 11.734 -6.906 6.554 1.00 0.00 C ATOM 300 C PRO A 21 11.852 -5.443 6.971 1.00 0.00 C ATOM 301 O PRO A 21 10.988 -4.912 7.672 1.00 0.00 O ATOM 302 CB PRO A 21 12.742 -7.772 7.324 1.00 0.00 C ATOM 303 CG PRO A 21 13.790 -8.157 6.333 1.00 0.00 C ATOM 304 CD PRO A 21 13.124 -8.142 4.989 1.00 0.00 C ATOM 0 HA PRO A 21 10.696 -7.175 6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.176 -7.219 8.157 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.259 -8.654 7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.626 -7.459 6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.192 -9.145 6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.826 -7.890 4.194 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.695 -9.113 4.740 1.00 0.00 H new ATOM 312 N ALA A 22 12.918 -4.798 6.521 1.00 0.00 N ATOM 313 CA ALA A 22 13.158 -3.395 6.827 1.00 0.00 C ATOM 314 C ALA A 22 12.077 -2.508 6.223 1.00 0.00 C ATOM 315 O ALA A 22 11.527 -1.636 6.894 1.00 0.00 O ATOM 316 CB ALA A 22 14.523 -2.979 6.309 1.00 0.00 C ATOM 0 H ALA A 22 13.636 -5.228 5.938 1.00 0.00 H new ATOM 0 HA ALA A 22 13.130 -3.272 7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.696 -1.928 6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.293 -3.587 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.562 -3.123 5.229 1.00 0.00 H new ATOM 322 N VAL A 23 11.761 -2.753 4.957 1.00 0.00 N ATOM 323 CA VAL A 23 10.809 -1.923 4.238 1.00 0.00 C ATOM 324 C VAL A 23 9.395 -2.172 4.744 1.00 0.00 C ATOM 325 O VAL A 23 8.585 -1.249 4.833 1.00 0.00 O ATOM 326 CB VAL A 23 10.874 -2.177 2.717 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.919 -1.252 1.972 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.297 -2.003 2.203 1.00 0.00 C ATOM 0 H VAL A 23 12.151 -3.520 4.409 1.00 0.00 H new ATOM 0 HA VAL A 23 11.077 -0.882 4.421 1.00 0.00 H new ATOM 0 HB VAL A 23 10.565 -3.206 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.982 -1.449 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.899 -1.430 2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.191 -0.215 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.321 -2.187 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.635 -0.987 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.955 -2.711 2.707 1.00 0.00 H new ATOM 338 N ARG A 24 9.110 -3.417 5.097 1.00 0.00 N ATOM 339 CA ARG A 24 7.813 -3.760 5.649 1.00 0.00 C ATOM 340 C ARG A 24 7.603 -3.034 6.971 1.00 0.00 C ATOM 341 O ARG A 24 6.580 -2.388 7.174 1.00 0.00 O ATOM 342 CB ARG A 24 7.687 -5.269 5.847 1.00 0.00 C ATOM 343 CG ARG A 24 6.273 -5.708 6.189 1.00 0.00 C ATOM 344 CD ARG A 24 6.180 -7.208 6.413 1.00 0.00 C ATOM 345 NE ARG A 24 6.704 -7.610 7.719 1.00 0.00 N ATOM 346 CZ ARG A 24 7.409 -8.721 7.925 1.00 0.00 C ATOM 347 NH1 ARG A 24 7.772 -9.477 6.895 1.00 0.00 N ATOM 348 NH2 ARG A 24 7.767 -9.065 9.156 1.00 0.00 N ATOM 0 H ARG A 24 9.757 -4.201 5.011 1.00 0.00 H new ATOM 0 HA ARG A 24 7.043 -3.446 4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.009 -5.777 4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.361 -5.583 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.939 -5.186 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.599 -5.420 5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.139 -7.521 6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.732 -7.725 5.628 1.00 0.00 H new ATOM 0 HE ARG A 24 6.518 -7.004 8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.511 -9.207 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.312 -10.328 7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.502 -8.478 9.947 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.307 -9.916 9.311 1.00 0.00 H new ATOM 362 N ARG A 25 8.594 -3.114 7.857 1.00 0.00 N ATOM 363 CA ARG A 25 8.522 -2.435 9.146 1.00 0.00 C ATOM 364 C ARG A 25 8.485 -0.921 8.969 1.00 0.00 C ATOM 365 O ARG A 25 7.864 -0.216 9.760 1.00 0.00 O ATOM 366 CB ARG A 25 9.693 -2.837 10.043 1.00 0.00 C ATOM 367 CG ARG A 25 9.428 -4.097 10.851 1.00 0.00 C ATOM 368 CD ARG A 25 10.603 -4.437 11.750 1.00 0.00 C ATOM 369 NE ARG A 25 11.697 -5.067 11.013 1.00 0.00 N ATOM 370 CZ ARG A 25 12.885 -4.500 10.803 1.00 0.00 C ATOM 371 NH1 ARG A 25 13.115 -3.252 11.203 1.00 0.00 N ATOM 372 NH2 ARG A 25 13.839 -5.175 10.174 1.00 0.00 N ATOM 0 H ARG A 25 9.454 -3.641 7.705 1.00 0.00 H new ATOM 0 HA ARG A 25 7.596 -2.745 9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.578 -2.989 9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.917 -2.017 10.725 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.532 -3.961 11.457 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.232 -4.930 10.175 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.966 -3.528 12.230 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.270 -5.105 12.544 1.00 0.00 H new ATOM 0 HE ARG A 25 11.541 -6.001 10.635 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.380 -2.724 11.673 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.026 -2.824 11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.663 -6.127 9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.748 -4.742 10.013 1.00 0.00 H new ATOM 386 N ARG A 26 9.141 -0.433 7.926 1.00 0.00 N ATOM 387 CA ARG A 26 9.094 0.980 7.577 1.00 0.00 C ATOM 388 C ARG A 26 7.642 1.394 7.326 1.00 0.00 C ATOM 389 O ARG A 26 7.190 2.444 7.788 1.00 0.00 O ATOM 390 CB ARG A 26 9.965 1.216 6.333 1.00 0.00 C ATOM 391 CG ARG A 26 10.361 2.665 6.071 1.00 0.00 C ATOM 392 CD ARG A 26 9.237 3.476 5.440 1.00 0.00 C ATOM 393 NE ARG A 26 9.740 4.668 4.751 1.00 0.00 N ATOM 394 CZ ARG A 26 9.280 5.907 4.942 1.00 0.00 C ATOM 395 NH1 ARG A 26 8.421 6.166 5.920 1.00 0.00 N ATOM 396 NH2 ARG A 26 9.714 6.897 4.175 1.00 0.00 N ATOM 0 H ARG A 26 9.716 -0.999 7.302 1.00 0.00 H new ATOM 0 HA ARG A 26 9.483 1.588 8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.874 0.622 6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.430 0.841 5.461 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.657 3.132 7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.232 2.687 5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.692 2.851 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.528 3.776 6.212 1.00 0.00 H new ATOM 0 HE ARG A 26 10.496 4.542 4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.106 5.415 6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.076 7.116 6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.398 6.711 3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.364 7.844 4.319 1.00 0.00 H new ATOM 410 N LEU A 27 6.912 0.547 6.611 1.00 0.00 N ATOM 411 CA LEU A 27 5.507 0.796 6.315 1.00 0.00 C ATOM 412 C LEU A 27 4.636 0.524 7.540 1.00 0.00 C ATOM 413 O LEU A 27 3.682 1.252 7.811 1.00 0.00 O ATOM 414 CB LEU A 27 5.055 -0.076 5.144 1.00 0.00 C ATOM 415 CG LEU A 27 5.833 0.134 3.841 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.375 -0.850 2.777 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.675 1.565 3.348 1.00 0.00 C ATOM 0 H LEU A 27 7.273 -0.324 6.223 1.00 0.00 H new ATOM 0 HA LEU A 27 5.395 1.845 6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.141 -1.123 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.999 0.116 4.954 1.00 0.00 H new ATOM 0 HG LEU A 27 6.889 -0.046 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.940 -0.683 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.543 -1.869 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.313 -0.705 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.235 1.695 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.620 1.773 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.057 2.254 4.102 1.00 0.00 H new ATOM 429 N MET A 28 4.973 -0.532 8.274 1.00 0.00 N ATOM 430 CA MET A 28 4.250 -0.900 9.489 1.00 0.00 C ATOM 431 C MET A 28 4.349 0.208 10.532 1.00 0.00 C ATOM 432 O MET A 28 3.387 0.485 11.253 1.00 0.00 O ATOM 433 CB MET A 28 4.797 -2.210 10.061 1.00 0.00 C ATOM 434 CG MET A 28 4.527 -3.424 9.184 1.00 0.00 C ATOM 435 SD MET A 28 5.340 -4.918 9.789 1.00 0.00 S ATOM 436 CE MET A 28 4.613 -5.055 11.421 1.00 0.00 C ATOM 0 H MET A 28 5.749 -1.154 8.047 1.00 0.00 H new ATOM 0 HA MET A 28 3.200 -1.040 9.230 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.873 -2.111 10.207 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.357 -2.378 11.044 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.452 -3.597 9.131 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.867 -3.216 8.169 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.799 -6.052 11.820 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.058 -4.311 12.081 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.538 -4.885 11.356 1.00 0.00 H new ATOM 446 N ASP A 29 5.519 0.836 10.601 1.00 0.00 N ATOM 447 CA ASP A 29 5.734 1.974 11.487 1.00 0.00 C ATOM 448 C ASP A 29 4.800 3.121 11.128 1.00 0.00 C ATOM 449 O ASP A 29 4.336 3.852 12.003 1.00 0.00 O ATOM 450 CB ASP A 29 7.186 2.451 11.406 1.00 0.00 C ATOM 451 CG ASP A 29 7.979 2.114 12.650 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.822 2.819 13.671 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.769 1.147 12.617 1.00 0.00 O ATOM 0 H ASP A 29 6.337 0.574 10.050 1.00 0.00 H new ATOM 0 HA ASP A 29 5.521 1.650 12.506 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.666 1.997 10.539 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.202 3.530 11.250 1.00 0.00 H new ATOM 458 N LEU A 30 4.528 3.269 9.832 1.00 0.00 N ATOM 459 CA LEU A 30 3.600 4.286 9.360 1.00 0.00 C ATOM 460 C LEU A 30 2.175 3.899 9.722 1.00 0.00 C ATOM 461 O LEU A 30 1.380 4.739 10.141 1.00 0.00 O ATOM 462 CB LEU A 30 3.724 4.472 7.846 1.00 0.00 C ATOM 463 CG LEU A 30 5.059 5.045 7.370 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.131 5.035 5.854 1.00 0.00 C ATOM 465 CD2 LEU A 30 5.254 6.457 7.902 1.00 0.00 C ATOM 0 H LEU A 30 4.938 2.697 9.094 1.00 0.00 H new ATOM 0 HA LEU A 30 3.848 5.230 9.845 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.568 3.507 7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.923 5.130 7.510 1.00 0.00 H new ATOM 0 HG LEU A 30 5.861 4.417 7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.088 5.446 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.036 4.011 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.321 5.640 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.209 6.849 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.447 7.096 7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.245 6.440 8.992 1.00 0.00 H new ATOM 477 N GLY A 31 1.863 2.622 9.566 1.00 0.00 N ATOM 478 CA GLY A 31 0.540 2.136 9.901 1.00 0.00 C ATOM 479 C GLY A 31 0.064 1.046 8.963 1.00 0.00 C ATOM 480 O GLY A 31 -1.034 0.513 9.125 1.00 0.00 O ATOM 0 H GLY A 31 2.504 1.911 9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.545 1.755 10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.165 2.967 9.874 1.00 0.00 H new ATOM 484 N LEU A 32 0.894 0.707 7.985 1.00 0.00 N ATOM 485 CA LEU A 32 0.534 -0.290 6.988 1.00 0.00 C ATOM 486 C LEU A 32 0.784 -1.697 7.536 1.00 0.00 C ATOM 487 O LEU A 32 1.895 -2.220 7.463 1.00 0.00 O ATOM 488 CB LEU A 32 1.331 -0.045 5.696 1.00 0.00 C ATOM 489 CG LEU A 32 0.707 -0.587 4.402 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.405 0.005 3.190 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.788 -2.103 4.348 1.00 0.00 C ATOM 0 H LEU A 32 1.823 1.110 7.862 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.528 -0.204 6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.477 1.029 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.319 -0.491 5.813 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.343 -0.295 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.951 -0.389 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.303 1.090 3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.462 -0.261 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.339 -2.459 3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.832 -2.413 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.251 -2.527 5.197 1.00 0.00 H new ATOM 503 N VAL A 33 -0.255 -2.274 8.122 1.00 0.00 N ATOM 504 CA VAL A 33 -0.197 -3.625 8.672 1.00 0.00 C ATOM 505 C VAL A 33 -1.423 -4.424 8.232 1.00 0.00 C ATOM 506 O VAL A 33 -2.244 -3.931 7.459 1.00 0.00 O ATOM 507 CB VAL A 33 -0.137 -3.610 10.220 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.150 -2.965 10.715 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.342 -2.879 10.797 1.00 0.00 C ATOM 0 H VAL A 33 -1.162 -1.821 8.231 1.00 0.00 H new ATOM 0 HA VAL A 33 0.712 -4.092 8.293 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.155 -4.645 10.562 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.163 -2.969 11.805 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.006 -3.526 10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.204 -1.937 10.355 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.281 -2.880 11.885 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.352 -1.851 10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.257 -3.382 10.485 1.00 0.00 H new ATOM 519 N ARG A 34 -1.556 -5.652 8.721 1.00 0.00 N ATOM 520 CA ARG A 34 -2.740 -6.448 8.430 1.00 0.00 C ATOM 521 C ARG A 34 -3.946 -5.839 9.133 1.00 0.00 C ATOM 522 O ARG A 34 -3.994 -5.770 10.364 1.00 0.00 O ATOM 523 CB ARG A 34 -2.550 -7.906 8.856 1.00 0.00 C ATOM 524 CG ARG A 34 -3.824 -8.732 8.767 1.00 0.00 C ATOM 525 CD ARG A 34 -3.571 -10.195 9.086 1.00 0.00 C ATOM 526 NE ARG A 34 -2.793 -10.855 8.041 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.243 -12.062 8.161 1.00 0.00 C ATOM 528 NH1 ARG A 34 -2.370 -12.746 9.293 1.00 0.00 N ATOM 529 NH2 ARG A 34 -1.573 -12.589 7.140 1.00 0.00 N ATOM 0 H ARG A 34 -0.866 -6.113 9.314 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.907 -6.441 7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.785 -8.363 8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.180 -7.932 9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.565 -8.332 9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.244 -8.646 7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.042 -10.273 10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.524 -10.710 9.209 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.662 -10.358 7.160 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.890 -12.347 10.074 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.947 -13.670 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.481 -12.069 6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.151 -13.513 7.230 1.00 0.00 H new ATOM 543 N GLY A 35 -4.908 -5.390 8.344 1.00 0.00 N ATOM 544 CA GLY A 35 -6.067 -4.720 8.895 1.00 0.00 C ATOM 545 C GLY A 35 -6.024 -3.224 8.649 1.00 0.00 C ATOM 546 O GLY A 35 -6.934 -2.496 9.043 1.00 0.00 O ATOM 0 H GLY A 35 -4.907 -5.478 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.972 -5.135 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.121 -4.911 9.967 1.00 0.00 H new ATOM 550 N ALA A 36 -4.957 -2.762 8.007 1.00 0.00 N ATOM 551 CA ALA A 36 -4.823 -1.353 7.673 1.00 0.00 C ATOM 552 C ALA A 36 -5.722 -0.993 6.499 1.00 0.00 C ATOM 553 O ALA A 36 -5.631 -1.602 5.431 1.00 0.00 O ATOM 554 CB ALA A 36 -3.374 -1.017 7.354 1.00 0.00 C ATOM 0 H ALA A 36 -4.174 -3.344 7.709 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.133 -0.765 8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.292 0.041 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.750 -1.236 8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.040 -1.615 6.506 1.00 0.00 H new ATOM 560 N LYS A 37 -6.587 -0.014 6.705 1.00 0.00 N ATOM 561 CA LYS A 37 -7.485 0.442 5.658 1.00 0.00 C ATOM 562 C LYS A 37 -6.836 1.573 4.880 1.00 0.00 C ATOM 563 O LYS A 37 -6.384 2.561 5.463 1.00 0.00 O ATOM 564 CB LYS A 37 -8.813 0.906 6.253 1.00 0.00 C ATOM 565 CG LYS A 37 -9.591 -0.203 6.940 1.00 0.00 C ATOM 566 CD LYS A 37 -10.847 0.329 7.606 1.00 0.00 C ATOM 567 CE LYS A 37 -11.711 -0.795 8.161 1.00 0.00 C ATOM 568 NZ LYS A 37 -10.947 -1.701 9.060 1.00 0.00 N ATOM 0 H LYS A 37 -6.686 0.482 7.591 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.684 -0.389 4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.621 1.703 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.428 1.333 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.860 -0.966 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.959 -0.685 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.571 1.008 8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.423 0.909 6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.552 -0.368 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.128 -1.372 7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.603 -2.356 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.258 -2.244 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.445 -1.138 9.776 1.00 0.00 H new ATOM 582 N LEU A 38 -6.777 1.424 3.571 1.00 0.00 N ATOM 583 CA LEU A 38 -6.136 2.411 2.729 1.00 0.00 C ATOM 584 C LEU A 38 -6.915 2.606 1.441 1.00 0.00 C ATOM 585 O LEU A 38 -7.562 1.684 0.946 1.00 0.00 O ATOM 586 CB LEU A 38 -4.697 1.999 2.396 1.00 0.00 C ATOM 587 CG LEU A 38 -4.550 0.760 1.509 1.00 0.00 C ATOM 588 CD1 LEU A 38 -3.161 0.720 0.896 1.00 0.00 C ATOM 589 CD2 LEU A 38 -4.810 -0.514 2.298 1.00 0.00 C ATOM 0 H LEU A 38 -7.167 0.627 3.068 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.116 3.350 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.203 2.837 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.164 1.820 3.330 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.292 0.823 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.066 -0.165 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.004 1.613 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.414 0.683 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.698 -1.377 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.095 -0.586 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.823 -0.493 2.700 1.00 0.00 H new ATOM 601 N LYS A 39 -6.858 3.808 0.904 1.00 0.00 N ATOM 602 CA LYS A 39 -7.461 4.079 -0.385 1.00 0.00 C ATOM 603 C LYS A 39 -6.389 4.512 -1.368 1.00 0.00 C ATOM 604 O LYS A 39 -5.517 5.317 -1.027 1.00 0.00 O ATOM 605 CB LYS A 39 -8.534 5.165 -0.281 1.00 0.00 C ATOM 606 CG LYS A 39 -9.360 5.306 -1.550 1.00 0.00 C ATOM 607 CD LYS A 39 -10.320 6.478 -1.477 1.00 0.00 C ATOM 608 CE LYS A 39 -9.593 7.807 -1.575 1.00 0.00 C ATOM 609 NZ LYS A 39 -10.535 8.957 -1.574 1.00 0.00 N ATOM 0 H LYS A 39 -6.402 4.610 1.338 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.938 3.164 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.196 4.935 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.057 6.119 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.694 5.436 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.922 4.388 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.049 6.402 -2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.876 6.435 -0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.901 7.904 -0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.996 7.828 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.998 9.845 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.180 8.878 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.087 8.953 -0.693 1.00 0.00 H new ATOM 623 N VAL A 40 -6.445 3.971 -2.570 1.00 0.00 N ATOM 624 CA VAL A 40 -5.510 4.347 -3.614 1.00 0.00 C ATOM 625 C VAL A 40 -5.801 5.765 -4.080 1.00 0.00 C ATOM 626 O VAL A 40 -6.894 6.060 -4.566 1.00 0.00 O ATOM 627 CB VAL A 40 -5.580 3.378 -4.810 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.606 3.793 -5.900 1.00 0.00 C ATOM 629 CG2 VAL A 40 -5.300 1.956 -4.358 1.00 0.00 C ATOM 0 H VAL A 40 -7.130 3.268 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.503 4.296 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.588 3.418 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.674 3.094 -6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.854 4.796 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.591 3.787 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.353 1.285 -5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.304 1.904 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.041 1.657 -3.616 1.00 0.00 H new ATOM 639 N LEU A 41 -4.833 6.646 -3.906 1.00 0.00 N ATOM 640 CA LEU A 41 -5.012 8.044 -4.247 1.00 0.00 C ATOM 641 C LEU A 41 -4.591 8.300 -5.683 1.00 0.00 C ATOM 642 O LEU A 41 -5.383 8.775 -6.497 1.00 0.00 O ATOM 643 CB LEU A 41 -4.203 8.935 -3.301 1.00 0.00 C ATOM 644 CG LEU A 41 -4.542 8.790 -1.816 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.643 9.688 -0.981 1.00 0.00 C ATOM 646 CD2 LEU A 41 -6.009 9.112 -1.573 1.00 0.00 C ATOM 0 H LEU A 41 -3.913 6.417 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.069 8.287 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.144 8.715 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.353 9.975 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.368 7.757 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.895 9.575 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.602 9.407 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.788 10.726 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.234 9.004 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.213 10.136 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.632 8.427 -2.148 1.00 0.00 H new ATOM 658 N ARG A 42 -3.348 7.960 -5.998 1.00 0.00 N ATOM 659 CA ARG A 42 -2.780 8.286 -7.294 1.00 0.00 C ATOM 660 C ARG A 42 -1.793 7.231 -7.764 1.00 0.00 C ATOM 661 O ARG A 42 -1.054 6.653 -6.965 1.00 0.00 O ATOM 662 CB ARG A 42 -2.059 9.635 -7.227 1.00 0.00 C ATOM 663 CG ARG A 42 -2.984 10.838 -7.171 1.00 0.00 C ATOM 664 CD ARG A 42 -3.719 11.024 -8.487 1.00 0.00 C ATOM 665 NE ARG A 42 -2.793 11.171 -9.611 1.00 0.00 N ATOM 666 CZ ARG A 42 -3.174 11.206 -10.886 1.00 0.00 C ATOM 667 NH1 ARG A 42 -4.461 11.098 -11.199 1.00 0.00 N ATOM 668 NH2 ARG A 42 -2.272 11.347 -11.849 1.00 0.00 N ATOM 0 H ARG A 42 -2.717 7.459 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.606 8.329 -8.004 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.415 9.646 -6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.411 9.731 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.705 10.709 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.407 11.734 -6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.371 10.169 -8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.358 11.905 -8.425 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.797 11.251 -9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.158 10.988 -10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.752 11.125 -12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.283 11.429 -11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.568 11.373 -12.825 1.00 0.00 H new ATOM 682 N PHE A 43 -1.806 6.983 -9.061 1.00 0.00 N ATOM 683 CA PHE A 43 -0.737 6.256 -9.717 1.00 0.00 C ATOM 684 C PHE A 43 0.017 7.228 -10.606 1.00 0.00 C ATOM 685 O PHE A 43 -0.602 8.017 -11.331 1.00 0.00 O ATOM 686 CB PHE A 43 -1.262 5.106 -10.584 1.00 0.00 C ATOM 687 CG PHE A 43 -1.890 3.970 -9.828 1.00 0.00 C ATOM 688 CD1 PHE A 43 -1.098 3.027 -9.193 1.00 0.00 C ATOM 689 CD2 PHE A 43 -3.266 3.832 -9.769 1.00 0.00 C ATOM 690 CE1 PHE A 43 -1.668 1.968 -8.510 1.00 0.00 C ATOM 691 CE2 PHE A 43 -3.842 2.774 -9.091 1.00 0.00 C ATOM 692 CZ PHE A 43 -3.042 1.843 -8.459 1.00 0.00 C ATOM 0 H PHE A 43 -2.555 7.279 -9.686 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.096 5.825 -8.948 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.996 5.506 -11.284 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.436 4.714 -11.178 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.023 3.120 -9.232 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.897 4.559 -10.258 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.040 1.240 -8.018 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.917 2.676 -9.056 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.490 1.018 -7.925 1.00 0.00 H new ATOM 702 N ALA A 44 1.338 7.200 -10.542 1.00 0.00 N ATOM 703 CA ALA A 44 2.144 8.009 -11.440 1.00 0.00 C ATOM 704 C ALA A 44 1.910 7.571 -12.883 1.00 0.00 C ATOM 705 O ALA A 44 1.416 6.469 -13.120 1.00 0.00 O ATOM 706 CB ALA A 44 3.613 7.902 -11.068 1.00 0.00 C ATOM 0 H ALA A 44 1.871 6.631 -9.884 1.00 0.00 H new ATOM 0 HA ALA A 44 1.848 9.054 -11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.206 8.513 -11.749 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.756 8.254 -10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.932 6.862 -11.142 1.00 0.00 H new ATOM 712 N PRO A 45 2.262 8.419 -13.868 1.00 0.00 N ATOM 713 CA PRO A 45 2.030 8.135 -15.302 1.00 0.00 C ATOM 714 C PRO A 45 2.753 6.883 -15.820 1.00 0.00 C ATOM 715 O PRO A 45 2.719 6.593 -17.016 1.00 0.00 O ATOM 716 CB PRO A 45 2.564 9.385 -16.010 1.00 0.00 C ATOM 717 CG PRO A 45 3.470 10.035 -15.024 1.00 0.00 C ATOM 718 CD PRO A 45 2.888 9.741 -13.676 1.00 0.00 C ATOM 0 HA PRO A 45 0.976 7.927 -15.485 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.099 9.122 -16.923 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.751 10.052 -16.298 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.483 9.642 -15.106 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.530 11.109 -15.198 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.655 9.716 -12.902 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.158 10.494 -13.378 1.00 0.00 H new ATOM 726 N LEU A 46 3.388 6.146 -14.922 1.00 0.00 N ATOM 727 CA LEU A 46 4.083 4.918 -15.277 1.00 0.00 C ATOM 728 C LEU A 46 3.701 3.806 -14.301 1.00 0.00 C ATOM 729 O LEU A 46 4.291 2.726 -14.303 1.00 0.00 O ATOM 730 CB LEU A 46 5.600 5.135 -15.246 1.00 0.00 C ATOM 731 CG LEU A 46 6.141 6.161 -16.247 1.00 0.00 C ATOM 732 CD1 LEU A 46 7.623 6.405 -16.009 1.00 0.00 C ATOM 733 CD2 LEU A 46 5.899 5.690 -17.673 1.00 0.00 C ATOM 0 H LEU A 46 3.436 6.381 -13.931 1.00 0.00 H new ATOM 0 HA LEU A 46 3.790 4.630 -16.287 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.884 5.449 -14.242 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.090 4.179 -15.432 1.00 0.00 H new ATOM 0 HG LEU A 46 5.610 7.102 -16.100 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.991 7.136 -16.728 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.772 6.784 -14.998 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.170 5.470 -16.130 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.289 6.430 -18.372 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.405 4.738 -17.833 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.829 5.564 -17.838 1.00 0.00 H new ATOM 745 N GLY A 47 2.691 4.077 -13.476 1.00 0.00 N ATOM 746 CA GLY A 47 2.260 3.117 -12.472 1.00 0.00 C ATOM 747 C GLY A 47 3.254 2.994 -11.337 1.00 0.00 C ATOM 748 O GLY A 47 3.259 2.003 -10.605 1.00 0.00 O ATOM 0 H GLY A 47 2.161 4.949 -13.486 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.292 3.420 -12.074 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.122 2.142 -12.939 1.00 0.00 H new ATOM 752 N ASP A 48 4.086 4.017 -11.193 1.00 0.00 N ATOM 753 CA ASP A 48 5.158 4.033 -10.205 1.00 0.00 C ATOM 754 C ASP A 48 5.767 5.430 -10.129 1.00 0.00 C ATOM 755 O ASP A 48 6.143 5.998 -11.154 1.00 0.00 O ATOM 756 CB ASP A 48 6.236 3.010 -10.573 1.00 0.00 C ATOM 757 CG ASP A 48 7.463 3.109 -9.691 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.452 2.544 -8.579 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.449 3.741 -10.111 1.00 0.00 O ATOM 0 H ASP A 48 4.037 4.863 -11.761 1.00 0.00 H new ATOM 0 HA ASP A 48 4.745 3.768 -9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.819 2.006 -10.497 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.529 3.155 -11.613 1.00 0.00 H new ATOM 764 N PRO A 49 5.865 6.015 -8.924 1.00 0.00 N ATOM 765 CA PRO A 49 5.439 5.373 -7.676 1.00 0.00 C ATOM 766 C PRO A 49 3.922 5.421 -7.466 1.00 0.00 C ATOM 767 O PRO A 49 3.175 5.896 -8.327 1.00 0.00 O ATOM 768 CB PRO A 49 6.147 6.204 -6.610 1.00 0.00 C ATOM 769 CG PRO A 49 6.246 7.564 -7.204 1.00 0.00 C ATOM 770 CD PRO A 49 6.415 7.363 -8.687 1.00 0.00 C ATOM 0 HA PRO A 49 5.686 4.311 -7.660 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.582 6.218 -5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.132 5.799 -6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.351 8.148 -6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.091 8.111 -6.786 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.877 8.120 -9.257 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.462 7.425 -8.982 1.00 0.00 H new ATOM 778 N ILE A 50 3.480 4.930 -6.312 1.00 0.00 N ATOM 779 CA ILE A 50 2.060 4.865 -5.994 1.00 0.00 C ATOM 780 C ILE A 50 1.766 5.634 -4.707 1.00 0.00 C ATOM 781 O ILE A 50 2.515 5.542 -3.730 1.00 0.00 O ATOM 782 CB ILE A 50 1.595 3.397 -5.841 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.930 2.604 -7.110 1.00 0.00 C ATOM 784 CG2 ILE A 50 0.102 3.325 -5.542 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.569 1.135 -7.035 1.00 0.00 C ATOM 0 H ILE A 50 4.090 4.570 -5.578 1.00 0.00 H new ATOM 0 HA ILE A 50 1.511 5.321 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 50 2.126 2.954 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.407 3.053 -7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.997 2.695 -7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.199 2.282 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.109 3.857 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.455 3.784 -6.358 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.838 0.646 -7.971 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.112 0.668 -6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.497 1.032 -6.867 1.00 0.00 H new ATOM 797 N GLU A 51 0.681 6.396 -4.719 1.00 0.00 N ATOM 798 CA GLU A 51 0.283 7.198 -3.571 1.00 0.00 C ATOM 799 C GLU A 51 -1.010 6.651 -2.971 1.00 0.00 C ATOM 800 O GLU A 51 -2.032 6.565 -3.656 1.00 0.00 O ATOM 801 CB GLU A 51 0.092 8.656 -3.996 1.00 0.00 C ATOM 802 CG GLU A 51 1.342 9.278 -4.600 1.00 0.00 C ATOM 803 CD GLU A 51 1.106 10.674 -5.138 1.00 0.00 C ATOM 804 OE1 GLU A 51 0.886 11.601 -4.331 1.00 0.00 O ATOM 805 OE2 GLU A 51 1.164 10.859 -6.373 1.00 0.00 O ATOM 0 H GLU A 51 0.055 6.475 -5.520 1.00 0.00 H new ATOM 0 HA GLU A 51 1.067 7.149 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.720 8.712 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.214 9.242 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.126 9.314 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.706 8.640 -5.406 1.00 0.00 H new ATOM 812 N VAL A 52 -0.963 6.270 -1.699 1.00 0.00 N ATOM 813 CA VAL A 52 -2.130 5.704 -1.026 1.00 0.00 C ATOM 814 C VAL A 52 -2.337 6.346 0.344 1.00 0.00 C ATOM 815 O VAL A 52 -1.382 6.774 0.986 1.00 0.00 O ATOM 816 CB VAL A 52 -2.009 4.171 -0.849 1.00 0.00 C ATOM 817 CG1 VAL A 52 -2.013 3.467 -2.197 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.758 3.811 -0.055 1.00 0.00 C ATOM 0 H VAL A 52 -0.131 6.342 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.988 5.915 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.877 3.829 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.927 2.391 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.944 3.687 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.171 3.818 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.696 2.728 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.124 4.173 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.807 4.274 0.931 1.00 0.00 H new ATOM 828 N ASN A 53 -3.586 6.417 0.781 1.00 0.00 N ATOM 829 CA ASN A 53 -3.908 6.949 2.104 1.00 0.00 C ATOM 830 C ASN A 53 -4.187 5.796 3.058 1.00 0.00 C ATOM 831 O ASN A 53 -5.244 5.172 2.985 1.00 0.00 O ATOM 832 CB ASN A 53 -5.130 7.878 2.031 1.00 0.00 C ATOM 833 CG ASN A 53 -5.419 8.604 3.338 1.00 0.00 C ATOM 834 OD1 ASN A 53 -5.160 8.102 4.431 1.00 0.00 O ATOM 835 ND2 ASN A 53 -5.974 9.798 3.228 1.00 0.00 N ATOM 0 H ASN A 53 -4.396 6.113 0.241 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.059 7.528 2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.970 8.614 1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.005 7.293 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.201 10.334 4.066 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.175 10.184 2.305 1.00 0.00 H new ATOM 842 N CYS A 54 -3.241 5.518 3.945 1.00 0.00 N ATOM 843 CA CYS A 54 -3.344 4.375 4.840 1.00 0.00 C ATOM 844 C CYS A 54 -3.627 4.822 6.269 1.00 0.00 C ATOM 845 O CYS A 54 -2.759 5.391 6.930 1.00 0.00 O ATOM 846 CB CYS A 54 -2.057 3.546 4.788 1.00 0.00 C ATOM 847 SG CYS A 54 -2.131 2.007 5.735 1.00 0.00 S ATOM 0 H CYS A 54 -2.392 6.070 4.063 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.178 3.757 4.508 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.832 3.310 3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.232 4.152 5.163 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.210 1.355 5.419 1.00 0.00 H new ATOM 853 N ASN A 55 -4.854 4.572 6.729 1.00 0.00 N ATOM 854 CA ASN A 55 -5.271 4.881 8.103 1.00 0.00 C ATOM 855 C ASN A 55 -5.069 6.359 8.447 1.00 0.00 C ATOM 856 O ASN A 55 -4.884 6.712 9.613 1.00 0.00 O ATOM 857 CB ASN A 55 -4.515 4.002 9.113 1.00 0.00 C ATOM 858 CG ASN A 55 -4.888 2.532 9.023 1.00 0.00 C ATOM 859 OD1 ASN A 55 -6.006 2.178 8.649 1.00 0.00 O ATOM 860 ND2 ASN A 55 -3.954 1.661 9.376 1.00 0.00 N ATOM 0 H ASN A 55 -5.589 4.150 6.162 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.338 4.665 8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.443 4.109 8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.719 4.361 10.122 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.151 0.661 9.343 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.038 1.991 9.681 1.00 0.00 H new ATOM 867 N GLY A 56 -5.137 7.222 7.441 1.00 0.00 N ATOM 868 CA GLY A 56 -4.967 8.645 7.673 1.00 0.00 C ATOM 869 C GLY A 56 -3.548 9.113 7.405 1.00 0.00 C ATOM 870 O GLY A 56 -3.253 10.308 7.488 1.00 0.00 O ATOM 0 H GLY A 56 -5.307 6.963 6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.655 9.199 7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.233 8.876 8.704 1.00 0.00 H new ATOM 874 N MET A 57 -2.670 8.174 7.093 1.00 0.00 N ATOM 875 CA MET A 57 -1.307 8.499 6.699 1.00 0.00 C ATOM 876 C MET A 57 -1.154 8.331 5.195 1.00 0.00 C ATOM 877 O MET A 57 -1.328 7.236 4.663 1.00 0.00 O ATOM 878 CB MET A 57 -0.295 7.613 7.438 1.00 0.00 C ATOM 879 CG MET A 57 -0.034 8.028 8.883 1.00 0.00 C ATOM 880 SD MET A 57 -1.440 7.755 9.981 1.00 0.00 S ATOM 881 CE MET A 57 -1.553 5.968 9.957 1.00 0.00 C ATOM 0 H MET A 57 -2.877 7.175 7.105 1.00 0.00 H new ATOM 0 HA MET A 57 -1.106 9.536 6.968 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.655 6.584 7.427 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.649 7.627 6.892 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.825 7.473 9.262 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.234 9.084 8.906 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.584 5.666 10.139 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.233 5.596 8.984 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.911 5.552 10.733 1.00 0.00 H new ATOM 891 N LEU A 58 -0.846 9.417 4.507 1.00 0.00 N ATOM 892 CA LEU A 58 -0.686 9.375 3.064 1.00 0.00 C ATOM 893 C LEU A 58 0.715 8.898 2.717 1.00 0.00 C ATOM 894 O LEU A 58 1.692 9.637 2.857 1.00 0.00 O ATOM 895 CB LEU A 58 -0.966 10.742 2.430 1.00 0.00 C ATOM 896 CG LEU A 58 -2.434 11.189 2.433 1.00 0.00 C ATOM 897 CD1 LEU A 58 -2.894 11.577 3.829 1.00 0.00 C ATOM 898 CD2 LEU A 58 -2.629 12.345 1.468 1.00 0.00 C ATOM 0 H LEU A 58 -0.702 10.337 4.923 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.414 8.673 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.376 11.493 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.613 10.723 1.399 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.044 10.347 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.938 11.888 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.792 10.721 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.282 12.400 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.674 12.655 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.000 13.182 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.353 12.029 0.462 1.00 0.00 H new ATOM 910 N LEU A 59 0.800 7.656 2.270 1.00 0.00 N ATOM 911 CA LEU A 59 2.076 7.004 2.049 1.00 0.00 C ATOM 912 C LEU A 59 2.416 7.014 0.566 1.00 0.00 C ATOM 913 O LEU A 59 1.537 6.894 -0.286 1.00 0.00 O ATOM 914 CB LEU A 59 2.044 5.549 2.547 1.00 0.00 C ATOM 915 CG LEU A 59 1.329 5.295 3.879 1.00 0.00 C ATOM 916 CD1 LEU A 59 1.548 3.858 4.334 1.00 0.00 C ATOM 917 CD2 LEU A 59 1.787 6.261 4.954 1.00 0.00 C ATOM 0 H LEU A 59 -0.010 7.076 2.052 1.00 0.00 H new ATOM 0 HA LEU A 59 2.835 7.552 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.566 4.937 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.072 5.198 2.640 1.00 0.00 H new ATOM 0 HG LEU A 59 0.264 5.459 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.034 3.694 5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.152 3.174 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.615 3.676 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.258 6.049 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.859 6.147 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.574 7.283 4.640 1.00 0.00 H new ATOM 929 N THR A 60 3.692 7.159 0.267 1.00 0.00 N ATOM 930 CA THR A 60 4.168 7.094 -1.102 1.00 0.00 C ATOM 931 C THR A 60 5.326 6.106 -1.206 1.00 0.00 C ATOM 932 O THR A 60 6.349 6.266 -0.539 1.00 0.00 O ATOM 933 CB THR A 60 4.631 8.477 -1.598 1.00 0.00 C ATOM 934 OG1 THR A 60 3.621 9.463 -1.327 1.00 0.00 O ATOM 935 CG2 THR A 60 4.928 8.446 -3.093 1.00 0.00 C ATOM 0 H THR A 60 4.423 7.324 0.959 1.00 0.00 H new ATOM 0 HA THR A 60 3.341 6.760 -1.728 1.00 0.00 H new ATOM 0 HB THR A 60 5.546 8.740 -1.066 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.925 10.339 -1.644 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.253 9.434 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.716 7.720 -3.292 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.027 8.162 -3.637 1.00 0.00 H new ATOM 943 N MET A 61 5.151 5.087 -2.031 1.00 0.00 N ATOM 944 CA MET A 61 6.174 4.066 -2.220 1.00 0.00 C ATOM 945 C MET A 61 6.218 3.626 -3.674 1.00 0.00 C ATOM 946 O MET A 61 5.458 4.133 -4.501 1.00 0.00 O ATOM 947 CB MET A 61 5.927 2.867 -1.287 1.00 0.00 C ATOM 948 CG MET A 61 4.465 2.448 -1.166 1.00 0.00 C ATOM 949 SD MET A 61 3.737 1.890 -2.723 1.00 0.00 S ATOM 950 CE MET A 61 2.052 1.582 -2.212 1.00 0.00 C ATOM 0 H MET A 61 4.306 4.943 -2.584 1.00 0.00 H new ATOM 0 HA MET A 61 7.143 4.494 -1.963 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.506 2.017 -1.648 1.00 0.00 H new ATOM 0 HB3 MET A 61 6.305 3.112 -0.294 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.386 1.647 -0.431 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.886 3.289 -0.785 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.416 1.491 -3.092 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.010 0.657 -1.636 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.702 2.410 -1.595 1.00 0.00 H new ATOM 960 N ARG A 62 7.100 2.690 -3.987 1.00 0.00 N ATOM 961 CA ARG A 62 7.286 2.257 -5.361 1.00 0.00 C ATOM 962 C ARG A 62 6.378 1.074 -5.666 1.00 0.00 C ATOM 963 O ARG A 62 5.899 0.401 -4.751 1.00 0.00 O ATOM 964 CB ARG A 62 8.746 1.875 -5.611 1.00 0.00 C ATOM 965 CG ARG A 62 9.750 2.925 -5.155 1.00 0.00 C ATOM 966 CD ARG A 62 9.478 4.289 -5.775 1.00 0.00 C ATOM 967 NE ARG A 62 9.618 4.279 -7.230 1.00 0.00 N ATOM 968 CZ ARG A 62 10.575 4.934 -7.889 1.00 0.00 C ATOM 969 NH1 ARG A 62 11.517 5.596 -7.231 1.00 0.00 N ATOM 970 NH2 ARG A 62 10.596 4.912 -9.211 1.00 0.00 N ATOM 0 H ARG A 62 7.697 2.217 -3.309 1.00 0.00 H new ATOM 0 HA ARG A 62 7.025 3.084 -6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.958 0.937 -5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.885 1.693 -6.677 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.717 3.009 -4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.757 2.602 -5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.470 4.610 -5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.166 5.021 -5.352 1.00 0.00 H new ATOM 0 HE ARG A 62 8.944 3.739 -7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.514 5.608 -6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.244 6.094 -7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.882 4.395 -9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.326 5.412 -9.718 1.00 0.00 H new ATOM 984 N ARG A 63 6.154 0.816 -6.948 1.00 0.00 N ATOM 985 CA ARG A 63 5.267 -0.263 -7.360 1.00 0.00 C ATOM 986 C ARG A 63 5.745 -1.609 -6.822 1.00 0.00 C ATOM 987 O ARG A 63 4.932 -2.443 -6.433 1.00 0.00 O ATOM 988 CB ARG A 63 5.133 -0.338 -8.885 1.00 0.00 C ATOM 989 CG ARG A 63 4.241 -1.488 -9.315 1.00 0.00 C ATOM 990 CD ARG A 63 4.177 -1.670 -10.822 1.00 0.00 C ATOM 991 NE ARG A 63 3.527 -2.939 -11.154 1.00 0.00 N ATOM 992 CZ ARG A 63 2.285 -3.051 -11.623 1.00 0.00 C ATOM 993 NH1 ARG A 63 1.604 -1.976 -12.001 1.00 0.00 N ATOM 994 NH2 ARG A 63 1.740 -4.254 -11.753 1.00 0.00 N ATOM 0 H ARG A 63 6.573 1.338 -7.718 1.00 0.00 H new ATOM 0 HA ARG A 63 4.287 -0.040 -6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.724 0.600 -9.261 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.120 -0.457 -9.332 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.604 -2.410 -8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.234 -1.319 -8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.627 -0.843 -11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.183 -1.649 -11.241 1.00 0.00 H new ATOM 0 HE ARG A 63 4.062 -3.797 -11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.031 -1.052 -11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.654 -2.074 -12.359 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.272 -5.085 -11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.790 -4.347 -12.111 1.00 0.00 H new ATOM 1008 N ASN A 64 7.058 -1.811 -6.780 1.00 0.00 N ATOM 1009 CA ASN A 64 7.616 -3.082 -6.321 1.00 0.00 C ATOM 1010 C ASN A 64 7.184 -3.386 -4.889 1.00 0.00 C ATOM 1011 O ASN A 64 7.001 -4.549 -4.527 1.00 0.00 O ATOM 1012 CB ASN A 64 9.146 -3.093 -6.429 1.00 0.00 C ATOM 1013 CG ASN A 64 9.809 -2.074 -5.531 1.00 0.00 C ATOM 1014 OD1 ASN A 64 10.030 -0.930 -5.929 1.00 0.00 O ATOM 1015 ND2 ASN A 64 10.152 -2.480 -4.320 1.00 0.00 N ATOM 0 H ASN A 64 7.753 -1.117 -7.056 1.00 0.00 H new ATOM 0 HA ASN A 64 7.224 -3.863 -6.973 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.515 -4.087 -6.176 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.433 -2.900 -7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.617 -1.837 -3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.952 -3.436 -4.027 1.00 0.00 H new ATOM 1022 N GLU A 65 7.009 -2.343 -4.077 1.00 0.00 N ATOM 1023 CA GLU A 65 6.491 -2.517 -2.728 1.00 0.00 C ATOM 1024 C GLU A 65 5.022 -2.921 -2.782 1.00 0.00 C ATOM 1025 O GLU A 65 4.597 -3.863 -2.111 1.00 0.00 O ATOM 1026 CB GLU A 65 6.636 -1.238 -1.893 1.00 0.00 C ATOM 1027 CG GLU A 65 8.015 -1.032 -1.275 1.00 0.00 C ATOM 1028 CD GLU A 65 8.938 -0.153 -2.100 1.00 0.00 C ATOM 1029 OE1 GLU A 65 8.575 1.012 -2.370 1.00 0.00 O ATOM 1030 OE2 GLU A 65 10.047 -0.613 -2.453 1.00 0.00 O ATOM 0 H GLU A 65 7.218 -1.377 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 65 7.077 -3.303 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.404 -0.380 -2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.894 -1.256 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.896 -0.589 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.487 -2.004 -1.133 1.00 0.00 H new ATOM 1037 N ALA A 66 4.260 -2.213 -3.605 1.00 0.00 N ATOM 1038 CA ALA A 66 2.824 -2.425 -3.712 1.00 0.00 C ATOM 1039 C ALA A 66 2.483 -3.797 -4.285 1.00 0.00 C ATOM 1040 O ALA A 66 1.477 -4.397 -3.904 1.00 0.00 O ATOM 1041 CB ALA A 66 2.203 -1.336 -4.563 1.00 0.00 C ATOM 0 H ALA A 66 4.619 -1.478 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 66 2.412 -2.384 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.128 -1.502 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.389 -0.365 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.644 -1.357 -5.560 1.00 0.00 H new ATOM 1047 N GLU A 67 3.309 -4.286 -5.205 1.00 0.00 N ATOM 1048 CA GLU A 67 3.088 -5.602 -5.802 1.00 0.00 C ATOM 1049 C GLU A 67 3.190 -6.688 -4.742 1.00 0.00 C ATOM 1050 O GLU A 67 2.468 -7.686 -4.780 1.00 0.00 O ATOM 1051 CB GLU A 67 4.093 -5.879 -6.922 1.00 0.00 C ATOM 1052 CG GLU A 67 4.035 -4.873 -8.055 1.00 0.00 C ATOM 1053 CD GLU A 67 4.846 -5.296 -9.257 1.00 0.00 C ATOM 1054 OE1 GLU A 67 6.084 -5.393 -9.145 1.00 0.00 O ATOM 1055 OE2 GLU A 67 4.243 -5.542 -10.326 1.00 0.00 O ATOM 0 H GLU A 67 4.133 -3.796 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 67 2.085 -5.608 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.099 -5.883 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.911 -6.876 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.997 -4.730 -8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.399 -3.910 -7.698 1.00 0.00 H new ATOM 1062 N GLY A 68 4.099 -6.491 -3.801 1.00 0.00 N ATOM 1063 CA GLY A 68 4.249 -7.426 -2.707 1.00 0.00 C ATOM 1064 C GLY A 68 3.045 -7.440 -1.779 1.00 0.00 C ATOM 1065 O GLY A 68 2.777 -8.437 -1.113 1.00 0.00 O ATOM 0 H GLY A 68 4.738 -5.697 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.405 -8.427 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.141 -7.170 -2.135 1.00 0.00 H new ATOM 1069 N ILE A 69 2.313 -6.337 -1.743 1.00 0.00 N ATOM 1070 CA ILE A 69 1.215 -6.180 -0.800 1.00 0.00 C ATOM 1071 C ILE A 69 -0.085 -6.763 -1.345 1.00 0.00 C ATOM 1072 O ILE A 69 -0.469 -6.514 -2.488 1.00 0.00 O ATOM 1073 CB ILE A 69 0.999 -4.698 -0.442 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.306 -4.086 0.064 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.097 -4.551 0.608 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.224 -2.600 0.298 1.00 0.00 C ATOM 0 H ILE A 69 2.459 -5.536 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 69 1.492 -6.730 0.099 1.00 0.00 H new ATOM 0 HB ILE A 69 0.684 -4.166 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.591 -4.577 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.096 -4.289 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.233 -3.496 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.030 -4.959 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.188 -5.093 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.186 -2.234 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.969 -2.098 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.457 -2.391 1.043 1.00 0.00 H new ATOM 1088 N THR A 70 -0.752 -7.542 -0.511 1.00 0.00 N ATOM 1089 CA THR A 70 -2.038 -8.117 -0.844 1.00 0.00 C ATOM 1090 C THR A 70 -3.140 -7.375 -0.090 1.00 0.00 C ATOM 1091 O THR A 70 -3.036 -7.155 1.118 1.00 0.00 O ATOM 1092 CB THR A 70 -2.070 -9.609 -0.473 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.841 -10.228 -0.875 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.234 -10.313 -1.149 1.00 0.00 C ATOM 0 H THR A 70 -0.414 -7.793 0.418 1.00 0.00 H new ATOM 0 HA THR A 70 -2.201 -8.020 -1.917 1.00 0.00 H new ATOM 0 HB THR A 70 -2.195 -9.693 0.607 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.860 -11.179 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.234 -11.367 -0.870 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.170 -9.854 -0.832 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.134 -10.224 -2.231 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.178 -6.969 -0.806 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.265 -6.211 -0.206 1.00 0.00 C ATOM 1104 C VAL A 71 -6.621 -6.820 -0.543 1.00 0.00 C ATOM 1105 O VAL A 71 -6.760 -7.564 -1.521 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.257 -4.738 -0.673 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.956 -4.050 -0.288 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.487 -4.650 -2.176 1.00 0.00 C ATOM 0 H VAL A 71 -4.290 -7.152 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.107 -6.249 0.872 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.073 -4.220 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.977 -3.015 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.839 -4.073 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.118 -4.568 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.478 -3.605 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.696 -5.189 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.452 -5.093 -2.423 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.608 -6.496 0.279 1.00 0.00 N ATOM 1119 CA HIS A 72 -8.984 -6.895 0.042 1.00 0.00 C ATOM 1120 C HIS A 72 -9.857 -5.646 -0.033 1.00 0.00 C ATOM 1121 O HIS A 72 -9.886 -4.849 0.902 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.456 -7.827 1.164 1.00 0.00 C ATOM 1123 CG HIS A 72 -10.839 -8.384 0.982 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -11.099 -9.380 0.071 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -11.983 -8.079 1.642 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.386 -9.660 0.201 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -12.966 -8.900 1.144 1.00 0.00 N ATOM 0 H HIS A 72 -7.476 -5.949 1.129 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.059 -7.436 -0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.754 -8.657 1.247 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.420 -7.283 2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.100 -7.332 2.413 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.906 -10.408 -0.380 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.944 -8.927 1.434 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.538 -5.473 -1.158 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.322 -4.267 -1.413 1.00 0.00 C ATOM 1137 C ILE A 73 -12.435 -4.083 -0.379 1.00 0.00 C ATOM 1138 O ILE A 73 -13.172 -5.018 -0.057 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.937 -4.293 -2.827 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.838 -4.424 -3.880 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.768 -3.041 -3.092 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -11.364 -4.424 -5.297 1.00 0.00 C ATOM 0 H ILE A 73 -10.564 -6.157 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.635 -3.425 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.597 -5.158 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.132 -3.602 -3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.285 -5.347 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.188 -3.089 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.576 -2.980 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.134 -2.159 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.532 -4.520 -5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.048 -5.262 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.892 -3.490 -5.489 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.557 -2.859 0.123 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.563 -2.523 1.124 1.00 0.00 C ATOM 1156 C LEU A 74 -14.824 -2.008 0.459 1.00 0.00 C ATOM 1157 O LEU A 74 -15.362 -0.955 0.812 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.014 -1.493 2.107 1.00 0.00 C ATOM 1159 CG LEU A 74 -11.865 -2.002 2.971 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.484 -0.968 4.016 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.249 -3.325 3.616 1.00 0.00 C ATOM 0 H LEU A 74 -11.964 -2.075 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.814 -3.427 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.675 -0.620 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.823 -1.161 2.757 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.992 -2.170 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.663 -1.349 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.173 -0.048 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.343 -0.763 4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.424 -3.683 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.132 -3.183 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.467 -4.058 2.840 1.00 0.00 H new ATOM 1173 N ALA A 75 -15.289 -2.781 -0.497 1.00 0.00 N ATOM 1174 CA ALA A 75 -16.483 -2.458 -1.253 1.00 0.00 C ATOM 1175 C ALA A 75 -17.109 -3.741 -1.773 1.00 0.00 C ATOM 1176 O ALA A 75 -17.782 -3.752 -2.807 1.00 0.00 O ATOM 1177 CB ALA A 75 -16.153 -1.517 -2.406 1.00 0.00 C ATOM 0 H ALA A 75 -14.848 -3.658 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.193 -1.949 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.063 -1.287 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.726 -0.595 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.434 -1.995 -3.071 1.00 0.00 H new ATOM 1183 N GLY A 76 -16.885 -4.824 -1.045 1.00 0.00 N ATOM 1184 CA GLY A 76 -17.393 -6.112 -1.464 1.00 0.00 C ATOM 1185 C GLY A 76 -18.061 -6.870 -0.339 1.00 0.00 C ATOM 1186 O GLY A 76 -19.021 -7.601 -0.569 1.00 0.00 O ATOM 0 H GLY A 76 -16.360 -4.833 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -18.107 -5.970 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.573 -6.709 -1.862 1.00 0.00 H new ATOM 1190 N ASP A 77 -17.543 -6.694 0.877 1.00 0.00 N ATOM 1191 CA ASP A 77 -18.072 -7.359 2.075 1.00 0.00 C ATOM 1192 C ASP A 77 -17.862 -8.874 1.986 1.00 0.00 C ATOM 1193 O ASP A 77 -18.471 -9.653 2.720 1.00 0.00 O ATOM 1194 CB ASP A 77 -19.560 -7.023 2.264 1.00 0.00 C ATOM 1195 CG ASP A 77 -20.025 -7.212 3.695 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -19.693 -6.356 4.542 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -20.745 -8.195 3.975 1.00 0.00 O ATOM 0 H ASP A 77 -16.745 -6.087 1.062 1.00 0.00 H new ATOM 0 HA ASP A 77 -17.527 -6.991 2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -19.736 -5.991 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -20.157 -7.654 1.606 1.00 0.00 H new ATOM 1202 N GLU A 78 -16.971 -9.278 1.090 1.00 0.00 N ATOM 1203 CA GLU A 78 -16.666 -10.686 0.885 1.00 0.00 C ATOM 1204 C GLU A 78 -15.655 -11.180 1.912 1.00 0.00 C ATOM 1205 O GLU A 78 -14.963 -10.383 2.550 1.00 0.00 O ATOM 1206 CB GLU A 78 -16.124 -10.916 -0.524 1.00 0.00 C ATOM 1207 CG GLU A 78 -17.137 -10.647 -1.621 1.00 0.00 C ATOM 1208 CD GLU A 78 -16.615 -11.029 -2.986 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -16.256 -12.207 -3.175 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -16.577 -10.160 -3.883 1.00 0.00 O ATOM 0 H GLU A 78 -16.444 -8.644 0.490 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.591 -11.249 1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.256 -10.275 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.778 -11.946 -0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -18.051 -11.204 -1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.401 -9.590 -1.618 1.00 0.00 H new ATOM 1217 N GLY A 79 -15.559 -12.493 2.047 1.00 0.00 N ATOM 1218 CA GLY A 79 -14.695 -13.083 3.043 1.00 0.00 C ATOM 1219 C GLY A 79 -15.500 -13.665 4.180 1.00 0.00 C ATOM 1220 O GLY A 79 -16.275 -14.601 3.979 1.00 0.00 O ATOM 0 H GLY A 79 -16.071 -13.166 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.087 -13.864 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.009 -12.329 3.427 1.00 0.00 H new ATOM 1224 N HIS A 80 -15.330 -13.108 5.368 1.00 0.00 N ATOM 1225 CA HIS A 80 -16.109 -13.514 6.529 1.00 0.00 C ATOM 1226 C HIS A 80 -15.844 -12.542 7.677 1.00 0.00 C ATOM 1227 O HIS A 80 -14.729 -12.039 7.809 1.00 0.00 O ATOM 1228 CB HIS A 80 -15.737 -14.946 6.951 1.00 0.00 C ATOM 1229 CG HIS A 80 -16.763 -15.608 7.823 1.00 0.00 C ATOM 1230 ND1 HIS A 80 -16.597 -15.709 9.181 1.00 0.00 N ATOM 1231 CD2 HIS A 80 -17.945 -16.173 7.479 1.00 0.00 C ATOM 1232 CE1 HIS A 80 -17.676 -16.324 9.635 1.00 0.00 C ATOM 1233 NE2 HIS A 80 -18.522 -16.625 8.640 1.00 0.00 N ATOM 0 H HIS A 80 -14.654 -12.367 5.555 1.00 0.00 H new ATOM 0 HA HIS A 80 -17.169 -13.497 6.274 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.589 -15.551 6.057 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -14.785 -14.923 7.481 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -18.355 -16.253 6.483 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.853 -16.554 10.675 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -19.421 -17.099 8.728 1.00 0.00 H new ATOM 1241 N PRO A 81 -16.869 -12.236 8.490 1.00 0.00 N ATOM 1242 CA PRO A 81 -16.707 -11.405 9.684 1.00 0.00 C ATOM 1243 C PRO A 81 -15.625 -11.948 10.610 1.00 0.00 C ATOM 1244 O PRO A 81 -15.655 -13.119 10.998 1.00 0.00 O ATOM 1245 CB PRO A 81 -18.077 -11.475 10.360 1.00 0.00 C ATOM 1246 CG PRO A 81 -19.028 -11.784 9.259 1.00 0.00 C ATOM 1247 CD PRO A 81 -18.270 -12.647 8.292 1.00 0.00 C ATOM 0 HA PRO A 81 -16.396 -10.389 9.439 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -18.099 -12.246 11.130 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -18.327 -10.532 10.846 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -19.909 -12.302 9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -19.378 -10.871 8.777 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -18.411 -13.707 8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -18.596 -12.481 7.265 1.00 0.00 H new ATOM 1255 N HIS A 82 -14.673 -11.092 10.957 1.00 0.00 N ATOM 1256 CA HIS A 82 -13.548 -11.484 11.797 1.00 0.00 C ATOM 1257 C HIS A 82 -14.020 -11.892 13.189 1.00 0.00 C ATOM 1258 O HIS A 82 -15.150 -11.599 13.590 1.00 0.00 O ATOM 1259 CB HIS A 82 -12.540 -10.333 11.896 1.00 0.00 C ATOM 1260 CG HIS A 82 -13.099 -9.087 12.515 1.00 0.00 C ATOM 1261 ND1 HIS A 82 -13.972 -8.279 11.830 1.00 0.00 N ATOM 1262 CD2 HIS A 82 -12.893 -8.568 13.749 1.00 0.00 C ATOM 1263 CE1 HIS A 82 -14.280 -7.295 12.657 1.00 0.00 C ATOM 1264 NE2 HIS A 82 -13.649 -7.427 13.833 1.00 0.00 N ATOM 0 H HIS A 82 -14.658 -10.114 10.667 1.00 0.00 H new ATOM 0 HA HIS A 82 -13.063 -12.345 11.338 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.682 -10.664 12.481 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.173 -10.097 10.897 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -12.255 -8.975 14.520 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -14.955 -6.487 12.416 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -13.718 -6.800 14.635 1.00 0.00 H new ATOM 1272 N GLY A 83 -13.153 -12.570 13.922 1.00 0.00 N ATOM 1273 CA GLY A 83 -13.504 -13.014 15.249 1.00 0.00 C ATOM 1274 C GLY A 83 -12.415 -12.721 16.255 1.00 0.00 C ATOM 1275 O GLY A 83 -11.496 -11.947 15.971 1.00 0.00 O ATOM 0 H GLY A 83 -12.212 -12.820 13.620 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.427 -12.525 15.562 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.701 -14.086 15.231 1.00 0.00 H new ATOM 1279 N TRP A 84 -12.529 -13.347 17.423 1.00 0.00 N ATOM 1280 CA TRP A 84 -11.577 -13.188 18.520 1.00 0.00 C ATOM 1281 C TRP A 84 -11.691 -11.814 19.174 1.00 0.00 C ATOM 1282 O TRP A 84 -11.984 -10.814 18.517 1.00 0.00 O ATOM 1283 CB TRP A 84 -10.141 -13.444 18.046 1.00 0.00 C ATOM 1284 CG TRP A 84 -9.641 -14.823 18.366 1.00 0.00 C ATOM 1285 CD1 TRP A 84 -8.376 -15.162 18.756 1.00 0.00 C ATOM 1286 CD2 TRP A 84 -10.394 -16.043 18.341 1.00 0.00 C ATOM 1287 NE1 TRP A 84 -8.295 -16.517 18.967 1.00 0.00 N ATOM 1288 CE2 TRP A 84 -9.520 -17.080 18.720 1.00 0.00 C ATOM 1289 CE3 TRP A 84 -11.720 -16.361 18.035 1.00 0.00 C ATOM 1290 CZ2 TRP A 84 -9.931 -18.405 18.796 1.00 0.00 C ATOM 1291 CZ3 TRP A 84 -12.126 -17.675 18.115 1.00 0.00 C ATOM 1292 CH2 TRP A 84 -11.235 -18.685 18.493 1.00 0.00 C ATOM 0 H TRP A 84 -13.294 -13.987 17.638 1.00 0.00 H new ATOM 0 HA TRP A 84 -11.828 -13.934 19.274 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -10.090 -13.289 16.968 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -9.479 -12.710 18.506 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -7.559 -14.466 18.880 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.459 -17.022 19.260 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -12.415 -15.589 17.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -9.244 -19.187 19.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -13.149 -17.930 17.882 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -11.584 -19.706 18.547 1.00 0.00 H new ATOM 1303 N PRO A 85 -11.499 -11.766 20.502 1.00 0.00 N ATOM 1304 CA PRO A 85 -11.479 -10.511 21.259 1.00 0.00 C ATOM 1305 C PRO A 85 -10.386 -9.564 20.769 1.00 0.00 C ATOM 1306 O PRO A 85 -10.592 -8.351 20.684 1.00 0.00 O ATOM 1307 CB PRO A 85 -11.197 -10.957 22.697 1.00 0.00 C ATOM 1308 CG PRO A 85 -11.603 -12.391 22.744 1.00 0.00 C ATOM 1309 CD PRO A 85 -11.326 -12.942 21.375 1.00 0.00 C ATOM 0 HA PRO A 85 -12.411 -9.956 21.152 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.143 -10.837 22.948 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -11.765 -10.363 23.413 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.039 -12.932 23.504 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.658 -12.490 22.999 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.320 -13.354 21.302 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -12.018 -13.743 21.115 1.00 0.00 H new ATOM 1317 N GLY A 86 -9.226 -10.128 20.451 1.00 0.00 N ATOM 1318 CA GLY A 86 -8.128 -9.335 19.938 1.00 0.00 C ATOM 1319 C GLY A 86 -7.171 -8.906 21.031 1.00 0.00 C ATOM 1320 O GLY A 86 -7.566 -8.763 22.191 1.00 0.00 O ATOM 0 H GLY A 86 -9.028 -11.125 20.540 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.586 -9.911 19.188 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.523 -8.452 19.437 1.00 0.00 H new ATOM 1324 N PHE A 87 -5.912 -8.710 20.670 1.00 0.00 N ATOM 1325 CA PHE A 87 -4.901 -8.293 21.629 1.00 0.00 C ATOM 1326 C PHE A 87 -3.817 -7.480 20.932 1.00 0.00 C ATOM 1327 O PHE A 87 -3.092 -7.993 20.076 1.00 0.00 O ATOM 1328 CB PHE A 87 -4.285 -9.510 22.329 1.00 0.00 C ATOM 1329 CG PHE A 87 -3.336 -9.153 23.441 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -3.819 -8.774 24.683 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -1.965 -9.189 23.241 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -2.951 -8.443 25.707 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -1.093 -8.857 24.260 1.00 0.00 C ATOM 1334 CZ PHE A 87 -1.587 -8.484 25.494 1.00 0.00 C ATOM 0 H PHE A 87 -5.566 -8.833 19.718 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.379 -7.668 22.383 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.086 -10.130 22.732 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.756 -10.113 21.591 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.885 -8.737 24.853 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.574 -9.480 22.277 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.339 -8.153 26.672 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.027 -8.889 24.091 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.907 -8.224 26.292 1.00 0.00 H new ATOM 1344 N ARG A 88 -3.723 -6.215 21.292 1.00 0.00 N ATOM 1345 CA ARG A 88 -2.733 -5.325 20.714 1.00 0.00 C ATOM 1346 C ARG A 88 -1.862 -4.745 21.821 1.00 0.00 C ATOM 1347 O ARG A 88 -2.366 -4.397 22.889 1.00 0.00 O ATOM 1348 CB ARG A 88 -3.437 -4.207 19.943 1.00 0.00 C ATOM 1349 CG ARG A 88 -2.516 -3.363 19.077 1.00 0.00 C ATOM 1350 CD ARG A 88 -3.306 -2.313 18.311 1.00 0.00 C ATOM 1351 NE ARG A 88 -4.395 -2.914 17.542 1.00 0.00 N ATOM 1352 CZ ARG A 88 -5.580 -2.335 17.346 1.00 0.00 C ATOM 1353 NH1 ARG A 88 -5.808 -1.105 17.789 1.00 0.00 N ATOM 1354 NH2 ARG A 88 -6.536 -2.981 16.691 1.00 0.00 N ATOM 0 H ARG A 88 -4.326 -5.777 21.988 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.098 -5.880 20.023 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.207 -4.648 19.310 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.944 -3.555 20.655 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.767 -2.877 19.702 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.980 -4.004 18.377 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.713 -1.582 19.009 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.639 -1.774 17.638 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.238 -3.834 17.130 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.074 -0.597 18.283 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.717 -0.668 17.636 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.365 -3.922 16.337 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.442 -2.537 16.542 1.00 0.00 H new ATOM 1368 N ARG A 89 -0.563 -4.653 21.565 1.00 0.00 N ATOM 1369 CA ARG A 89 0.381 -4.161 22.562 1.00 0.00 C ATOM 1370 C ARG A 89 0.035 -2.750 23.026 1.00 0.00 C ATOM 1371 O ARG A 89 -0.097 -1.824 22.221 1.00 0.00 O ATOM 1372 CB ARG A 89 1.809 -4.200 22.019 1.00 0.00 C ATOM 1373 CG ARG A 89 2.470 -5.563 22.132 1.00 0.00 C ATOM 1374 CD ARG A 89 3.866 -5.552 21.534 1.00 0.00 C ATOM 1375 NE ARG A 89 4.637 -6.737 21.906 1.00 0.00 N ATOM 1376 CZ ARG A 89 5.052 -7.662 21.045 1.00 0.00 C ATOM 1377 NH1 ARG A 89 4.748 -7.563 19.758 1.00 0.00 N ATOM 1378 NH2 ARG A 89 5.774 -8.690 21.475 1.00 0.00 N ATOM 0 H ARG A 89 -0.138 -4.913 20.675 1.00 0.00 H new ATOM 0 HA ARG A 89 0.310 -4.822 23.426 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.798 -3.897 20.972 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.412 -3.468 22.556 1.00 0.00 H new ATOM 0 HG2 ARG A 89 2.524 -5.857 23.180 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.860 -6.309 21.622 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.793 -5.494 20.448 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.394 -4.658 21.866 1.00 0.00 H new ATOM 0 HE ARG A 89 4.872 -6.863 22.891 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.193 -6.775 19.424 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.069 -8.275 19.102 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.010 -8.769 22.464 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.093 -9.400 20.816 1.00 0.00 H new ATOM 1392 N ARG A 90 -0.122 -2.611 24.333 1.00 0.00 N ATOM 1393 CA ARG A 90 -0.431 -1.336 24.959 1.00 0.00 C ATOM 1394 C ARG A 90 0.475 -1.118 26.163 1.00 0.00 C ATOM 1395 O ARG A 90 1.457 -1.843 26.344 1.00 0.00 O ATOM 1396 CB ARG A 90 -1.902 -1.295 25.394 1.00 0.00 C ATOM 1397 CG ARG A 90 -2.877 -1.074 24.250 1.00 0.00 C ATOM 1398 CD ARG A 90 -2.713 0.312 23.649 1.00 0.00 C ATOM 1399 NE ARG A 90 -3.645 0.548 22.547 1.00 0.00 N ATOM 1400 CZ ARG A 90 -4.127 1.746 22.221 1.00 0.00 C ATOM 1401 NH1 ARG A 90 -3.832 2.810 22.955 1.00 0.00 N ATOM 1402 NH2 ARG A 90 -4.927 1.877 21.171 1.00 0.00 N ATOM 0 H ARG A 90 -0.038 -3.384 24.993 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.261 -0.540 24.234 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.149 -2.232 25.893 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.032 -0.499 26.128 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.716 -1.829 23.480 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.898 -1.199 24.610 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.870 1.063 24.423 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.691 0.433 23.291 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.945 -0.255 21.994 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.233 2.714 23.775 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.204 3.725 22.700 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.173 1.060 20.613 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.296 2.795 20.922 1.00 0.00 H new ATOM 1416 N HIS A 91 0.138 -0.116 26.972 1.00 0.00 N ATOM 1417 CA HIS A 91 0.883 0.213 28.188 1.00 0.00 C ATOM 1418 C HIS A 91 2.266 0.754 27.834 1.00 0.00 C ATOM 1419 O HIS A 91 2.545 1.062 26.673 1.00 0.00 O ATOM 1420 CB HIS A 91 1.015 -1.006 29.118 1.00 0.00 C ATOM 1421 CG HIS A 91 -0.294 -1.630 29.512 1.00 0.00 C ATOM 1422 ND1 HIS A 91 -0.941 -1.276 30.673 1.00 0.00 N ATOM 1423 CD2 HIS A 91 -1.020 -2.580 28.873 1.00 0.00 C ATOM 1424 CE1 HIS A 91 -2.043 -2.014 30.710 1.00 0.00 C ATOM 1425 NE2 HIS A 91 -2.130 -2.819 29.641 1.00 0.00 N ATOM 0 H HIS A 91 -0.662 0.494 26.803 1.00 0.00 H new ATOM 0 HA HIS A 91 0.323 0.982 28.720 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.629 -1.759 28.625 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.546 -0.703 30.021 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.771 -3.058 27.937 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.777 -1.972 31.501 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.878 -3.482 29.438 1.00 0.00 H new ATOM 1433 N ARG A 92 3.123 0.881 28.835 1.00 0.00 N ATOM 1434 CA ARG A 92 4.477 1.366 28.622 1.00 0.00 C ATOM 1435 C ARG A 92 5.414 0.729 29.633 1.00 0.00 C ATOM 1436 O ARG A 92 4.966 0.185 30.641 1.00 0.00 O ATOM 1437 CB ARG A 92 4.535 2.892 28.746 1.00 0.00 C ATOM 1438 CG ARG A 92 4.275 3.406 30.154 1.00 0.00 C ATOM 1439 CD ARG A 92 4.364 4.923 30.222 1.00 0.00 C ATOM 1440 NE ARG A 92 5.633 5.425 29.694 1.00 0.00 N ATOM 1441 CZ ARG A 92 6.279 6.486 30.185 1.00 0.00 C ATOM 1442 NH1 ARG A 92 5.816 7.122 31.254 1.00 0.00 N ATOM 1443 NH2 ARG A 92 7.394 6.914 29.603 1.00 0.00 N ATOM 0 H ARG A 92 2.904 0.654 29.805 1.00 0.00 H new ATOM 0 HA ARG A 92 4.789 1.092 27.614 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.516 3.236 28.419 1.00 0.00 H new ATOM 0 HB3 ARG A 92 3.802 3.330 28.069 1.00 0.00 H new ATOM 0 HG2 ARG A 92 3.287 3.084 30.483 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.998 2.967 30.841 1.00 0.00 H new ATOM 0 HD2 ARG A 92 3.539 5.360 29.658 1.00 0.00 H new ATOM 0 HD3 ARG A 92 4.249 5.246 31.257 1.00 0.00 H new ATOM 0 HE ARG A 92 6.050 4.935 28.903 1.00 0.00 H new ATOM 0 HH11 ARG A 92 4.960 6.801 31.707 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.316 7.931 31.622 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.757 6.432 28.781 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.887 7.724 29.979 1.00 0.00 H new ATOM 1457 N PHE A 93 6.706 0.788 29.366 1.00 0.00 N ATOM 1458 CA PHE A 93 7.686 0.245 30.290 1.00 0.00 C ATOM 1459 C PHE A 93 8.663 1.335 30.704 1.00 0.00 C ATOM 1460 O PHE A 93 9.283 1.983 29.857 1.00 0.00 O ATOM 1461 CB PHE A 93 8.435 -0.933 29.659 1.00 0.00 C ATOM 1462 CG PHE A 93 9.373 -1.630 30.608 1.00 0.00 C ATOM 1463 CD1 PHE A 93 8.896 -2.564 31.512 1.00 0.00 C ATOM 1464 CD2 PHE A 93 10.732 -1.349 30.598 1.00 0.00 C ATOM 1465 CE1 PHE A 93 9.753 -3.206 32.389 1.00 0.00 C ATOM 1466 CE2 PHE A 93 11.593 -1.988 31.471 1.00 0.00 C ATOM 1467 CZ PHE A 93 11.103 -2.918 32.367 1.00 0.00 C ATOM 0 H PHE A 93 7.100 1.204 28.522 1.00 0.00 H new ATOM 0 HA PHE A 93 7.166 -0.122 31.175 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.709 -1.655 29.283 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.002 -0.574 28.800 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.841 -2.795 31.533 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.122 -0.623 29.900 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.366 -3.931 33.090 1.00 0.00 H new ATOM 0 HE2 PHE A 93 12.648 -1.760 31.452 1.00 0.00 H new ATOM 0 HZ PHE A 93 11.774 -3.419 33.049 1.00 0.00 H new ATOM 1477 N GLY A 94 8.787 1.539 32.003 1.00 0.00 N ATOM 1478 CA GLY A 94 9.667 2.565 32.516 1.00 0.00 C ATOM 1479 C GLY A 94 9.107 3.205 33.765 1.00 0.00 C ATOM 1480 O GLY A 94 7.893 3.361 33.892 1.00 0.00 O ATOM 0 H GLY A 94 8.290 1.008 32.718 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.643 2.132 32.735 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.821 3.328 31.753 1.00 0.00 H new ATOM 1484 N LYS A 95 9.987 3.566 34.689 1.00 0.00 N ATOM 1485 CA LYS A 95 9.581 4.166 35.952 1.00 0.00 C ATOM 1486 C LYS A 95 10.818 4.628 36.712 1.00 0.00 C ATOM 1487 O LYS A 95 11.548 3.814 37.281 1.00 0.00 O ATOM 1488 CB LYS A 95 8.774 3.163 36.793 1.00 0.00 C ATOM 1489 CG LYS A 95 7.936 3.789 37.906 1.00 0.00 C ATOM 1490 CD LYS A 95 8.768 4.178 39.122 1.00 0.00 C ATOM 1491 CE LYS A 95 7.899 4.773 40.220 1.00 0.00 C ATOM 1492 NZ LYS A 95 6.882 3.804 40.709 1.00 0.00 N ATOM 0 H LYS A 95 10.995 3.452 34.585 1.00 0.00 H new ATOM 0 HA LYS A 95 8.942 5.026 35.751 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.113 2.604 36.131 1.00 0.00 H new ATOM 0 HB3 LYS A 95 9.463 2.445 37.237 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.429 4.673 37.520 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.161 3.086 38.211 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.290 3.301 39.504 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.530 4.899 38.828 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.530 5.088 41.051 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.399 5.665 39.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.486 4.141 41.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.120 3.716 40.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.328 2.876 40.853 1.00 0.00 H new ATOM 1506 N ARG A 96 11.058 5.929 36.698 1.00 0.00 N ATOM 1507 CA ARG A 96 12.203 6.499 37.390 1.00 0.00 C ATOM 1508 C ARG A 96 11.874 6.717 38.856 1.00 0.00 C ATOM 1509 O ARG A 96 10.978 7.496 39.191 1.00 0.00 O ATOM 1510 CB ARG A 96 12.621 7.821 36.744 1.00 0.00 C ATOM 1511 CG ARG A 96 13.756 8.531 37.472 1.00 0.00 C ATOM 1512 CD ARG A 96 14.229 9.756 36.708 1.00 0.00 C ATOM 1513 NE ARG A 96 14.763 9.401 35.398 1.00 0.00 N ATOM 1514 CZ ARG A 96 14.692 10.183 34.326 1.00 0.00 C ATOM 1515 NH1 ARG A 96 14.189 11.410 34.416 1.00 0.00 N ATOM 1516 NH2 ARG A 96 15.145 9.743 33.162 1.00 0.00 N ATOM 0 H ARG A 96 10.474 6.611 36.214 1.00 0.00 H new ATOM 0 HA ARG A 96 13.034 5.798 37.313 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.925 7.631 35.715 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.757 8.484 36.704 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.422 8.828 38.466 1.00 0.00 H new ATOM 0 HG3 ARG A 96 14.589 7.842 37.608 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.399 10.452 36.586 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.996 10.272 37.286 1.00 0.00 H new ATOM 0 HE ARG A 96 15.220 8.495 35.298 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.853 11.759 35.314 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.139 12.003 33.587 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.546 8.808 33.091 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.093 10.339 32.336 1.00 0.00 H new ATOM 1530 N ALA A 97 12.582 6.011 39.721 1.00 0.00 N ATOM 1531 CA ALA A 97 12.414 6.174 41.153 1.00 0.00 C ATOM 1532 C ALA A 97 13.193 7.391 41.632 1.00 0.00 C ATOM 1533 O ALA A 97 14.387 7.524 41.359 1.00 0.00 O ATOM 1534 CB ALA A 97 12.868 4.922 41.886 1.00 0.00 C ATOM 0 H ALA A 97 13.281 5.317 39.454 1.00 0.00 H new ATOM 0 HA ALA A 97 11.357 6.330 41.370 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.736 5.060 42.959 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.274 4.070 41.554 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.920 4.736 41.671 1.00 0.00 H new ATOM 1540 N LEU A 98 12.511 8.281 42.331 1.00 0.00 N ATOM 1541 CA LEU A 98 13.136 9.495 42.834 1.00 0.00 C ATOM 1542 C LEU A 98 13.695 9.251 44.227 1.00 0.00 C ATOM 1543 O LEU A 98 14.389 10.102 44.789 1.00 0.00 O ATOM 1544 CB LEU A 98 12.138 10.666 42.866 1.00 0.00 C ATOM 1545 CG LEU A 98 11.558 11.094 41.513 1.00 0.00 C ATOM 1546 CD1 LEU A 98 10.431 10.165 41.080 1.00 0.00 C ATOM 1547 CD2 LEU A 98 11.070 12.532 41.580 1.00 0.00 C ATOM 0 H LEU A 98 11.523 8.187 42.564 1.00 0.00 H new ATOM 0 HA LEU A 98 13.948 9.762 42.158 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.312 10.395 43.523 1.00 0.00 H new ATOM 0 HB3 LEU A 98 12.633 11.527 43.315 1.00 0.00 H new ATOM 0 HG LEU A 98 12.350 11.028 40.767 1.00 0.00 H new ATOM 0 HD11 LEU A 98 10.039 10.493 40.117 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.812 9.148 40.989 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.634 10.189 41.823 1.00 0.00 H new ATOM 0 HD21 LEU A 98 10.661 12.823 40.613 1.00 0.00 H new ATOM 0 HD22 LEU A 98 10.296 12.618 42.342 1.00 0.00 H new ATOM 0 HD23 LEU A 98 11.903 13.188 41.833 1.00 0.00 H new ATOM 1559 N GLU A 99 13.381 8.075 44.770 1.00 0.00 N ATOM 1560 CA GLU A 99 13.810 7.685 46.109 1.00 0.00 C ATOM 1561 C GLU A 99 13.182 8.596 47.157 1.00 0.00 C ATOM 1562 O GLU A 99 12.259 9.360 46.865 1.00 0.00 O ATOM 1563 CB GLU A 99 15.340 7.703 46.217 1.00 0.00 C ATOM 1564 CG GLU A 99 16.021 6.637 45.370 1.00 0.00 C ATOM 1565 CD GLU A 99 15.805 5.235 45.911 1.00 0.00 C ATOM 1566 OE1 GLU A 99 14.653 4.751 45.890 1.00 0.00 O ATOM 1567 OE2 GLU A 99 16.792 4.609 46.353 1.00 0.00 O ATOM 0 H GLU A 99 12.822 7.368 44.293 1.00 0.00 H new ATOM 0 HA GLU A 99 13.471 6.666 46.295 1.00 0.00 H new ATOM 0 HB2 GLU A 99 15.706 8.684 45.915 1.00 0.00 H new ATOM 0 HB3 GLU A 99 15.624 7.564 47.260 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.641 6.691 44.350 1.00 0.00 H new ATOM 0 HG3 GLU A 99 17.090 6.844 45.323 1.00 0.00 H new ATOM 1574 N HIS A 100 13.669 8.501 48.379 1.00 0.00 N ATOM 1575 CA HIS A 100 13.146 9.308 49.464 1.00 0.00 C ATOM 1576 C HIS A 100 14.180 10.325 49.911 1.00 0.00 C ATOM 1577 O HIS A 100 15.384 10.115 49.745 1.00 0.00 O ATOM 1578 CB HIS A 100 12.735 8.424 50.645 1.00 0.00 C ATOM 1579 CG HIS A 100 11.624 7.473 50.326 1.00 0.00 C ATOM 1580 ND1 HIS A 100 11.855 6.128 50.155 1.00 0.00 N ATOM 1581 CD2 HIS A 100 10.303 7.718 50.163 1.00 0.00 C ATOM 1582 CE1 HIS A 100 10.678 5.590 49.889 1.00 0.00 C ATOM 1583 NE2 HIS A 100 9.707 6.514 49.884 1.00 0.00 N ATOM 0 H HIS A 100 14.427 7.872 48.645 1.00 0.00 H new ATOM 0 HA HIS A 100 12.264 9.837 49.102 1.00 0.00 H new ATOM 0 HB2 HIS A 100 13.602 7.856 50.982 1.00 0.00 H new ATOM 0 HB3 HIS A 100 12.429 9.061 51.475 1.00 0.00 H new ATOM 0 HD2 HIS A 100 9.812 8.677 50.238 1.00 0.00 H new ATOM 0 HE1 HIS A 100 10.518 4.539 49.700 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.715 6.353 49.707 1.00 0.00 H new ATOM 1591 N HIS A 101 13.711 11.435 50.449 1.00 0.00 N ATOM 1592 CA HIS A 101 14.601 12.441 50.996 1.00 0.00 C ATOM 1593 C HIS A 101 14.766 12.217 52.490 1.00 0.00 C ATOM 1594 O HIS A 101 14.030 12.774 53.304 1.00 0.00 O ATOM 1595 CB HIS A 101 14.082 13.855 50.716 1.00 0.00 C ATOM 1596 CG HIS A 101 14.155 14.254 49.272 1.00 0.00 C ATOM 1597 ND1 HIS A 101 14.998 15.256 48.847 1.00 0.00 N ATOM 1598 CD2 HIS A 101 13.474 13.770 48.205 1.00 0.00 C ATOM 1599 CE1 HIS A 101 14.810 15.357 47.541 1.00 0.00 C ATOM 1600 NE2 HIS A 101 13.897 14.476 47.108 1.00 0.00 N ATOM 0 H HIS A 101 12.719 11.663 50.519 1.00 0.00 H new ATOM 0 HA HIS A 101 15.572 12.347 50.509 1.00 0.00 H new ATOM 0 HB2 HIS A 101 13.047 13.924 51.050 1.00 0.00 H new ATOM 0 HB3 HIS A 101 14.657 14.567 51.309 1.00 0.00 H new ATOM 0 HD2 HIS A 101 12.739 12.979 48.216 1.00 0.00 H new ATOM 0 HE1 HIS A 101 15.327 16.060 46.905 1.00 0.00 H new ATOM 0 HE2 HIS A 101 13.578 14.354 46.147 1.00 0.00 H new ATOM 1608 N HIS A 102 15.711 11.361 52.836 1.00 0.00 N ATOM 1609 CA HIS A 102 15.975 11.026 54.225 1.00 0.00 C ATOM 1610 C HIS A 102 16.669 12.180 54.941 1.00 0.00 C ATOM 1611 O HIS A 102 16.578 12.301 56.164 1.00 0.00 O ATOM 1612 CB HIS A 102 16.826 9.748 54.309 1.00 0.00 C ATOM 1613 CG HIS A 102 18.056 9.772 53.444 1.00 0.00 C ATOM 1614 ND1 HIS A 102 18.039 9.290 52.154 1.00 0.00 N ATOM 1615 CD2 HIS A 102 19.303 10.221 53.726 1.00 0.00 C ATOM 1616 CE1 HIS A 102 19.266 9.454 51.686 1.00 0.00 C ATOM 1617 NE2 HIS A 102 20.062 10.014 52.605 1.00 0.00 N ATOM 0 H HIS A 102 16.314 10.881 52.168 1.00 0.00 H new ATOM 0 HA HIS A 102 15.022 10.846 54.723 1.00 0.00 H new ATOM 0 HB2 HIS A 102 17.126 9.592 55.345 1.00 0.00 H new ATOM 0 HB3 HIS A 102 16.211 8.895 54.023 1.00 0.00 H new ATOM 0 HD2 HIS A 102 19.635 10.658 54.656 1.00 0.00 H new ATOM 0 HE1 HIS A 102 19.583 9.173 50.693 1.00 0.00 H new ATOM 0 HE2 HIS A 102 21.049 10.244 52.492 1.00 0.00 H new ATOM 1625 N HIS A 103 17.352 13.025 54.162 1.00 0.00 N ATOM 1626 CA HIS A 103 18.090 14.176 54.690 1.00 0.00 C ATOM 1627 C HIS A 103 19.265 13.733 55.554 1.00 0.00 C ATOM 1628 O HIS A 103 19.456 12.543 55.818 1.00 0.00 O ATOM 1629 CB HIS A 103 17.172 15.112 55.488 1.00 0.00 C ATOM 1630 CG HIS A 103 16.271 15.957 54.638 1.00 0.00 C ATOM 1631 ND1 HIS A 103 15.310 15.583 53.758 1.00 0.00 N flip ATOM 1632 CD2 HIS A 103 16.325 17.330 54.685 1.00 0.00 C flip ATOM 1633 CE1 HIS A 103 14.762 16.734 53.256 1.00 0.00 C flip ATOM 1634 NE2 HIS A 103 15.401 17.757 53.838 1.00 0.00 N flip ATOM 0 H HIS A 103 17.409 12.930 53.148 1.00 0.00 H new ATOM 0 HA HIS A 103 18.480 14.726 53.833 1.00 0.00 H new ATOM 0 HB2 HIS A 103 16.561 14.514 56.164 1.00 0.00 H new ATOM 0 HB3 HIS A 103 17.787 15.765 56.108 1.00 0.00 H new ATOM 0 HD1 HIS A 103 15.046 14.628 53.516 1.00 0.00 H new ATOM 0 HD2 HIS A 103 16.985 17.936 55.288 1.00 0.00 H new ATOM 0 HE1 HIS A 103 13.966 16.803 52.529 1.00 0.00 H new ATOM 1642 N HIS A 104 20.062 14.693 55.982 1.00 0.00 N ATOM 1643 CA HIS A 104 21.207 14.404 56.826 1.00 0.00 C ATOM 1644 C HIS A 104 21.007 15.032 58.201 1.00 0.00 C ATOM 1645 O HIS A 104 21.318 14.424 59.227 1.00 0.00 O ATOM 1646 CB HIS A 104 22.490 14.928 56.171 1.00 0.00 C ATOM 1647 CG HIS A 104 23.747 14.390 56.782 1.00 0.00 C ATOM 1648 ND1 HIS A 104 24.343 13.249 56.299 1.00 0.00 N ATOM 1649 CD2 HIS A 104 24.485 14.874 57.810 1.00 0.00 C ATOM 1650 CE1 HIS A 104 25.420 13.064 57.043 1.00 0.00 C ATOM 1651 NE2 HIS A 104 25.547 14.024 57.970 1.00 0.00 N ATOM 0 H HIS A 104 19.938 15.681 55.759 1.00 0.00 H new ATOM 0 HA HIS A 104 21.301 13.325 56.947 1.00 0.00 H new ATOM 0 HB2 HIS A 104 22.475 14.674 55.111 1.00 0.00 H new ATOM 0 HB3 HIS A 104 22.502 16.016 56.238 1.00 0.00 H new ATOM 0 HD2 HIS A 104 24.276 15.760 58.391 1.00 0.00 H new ATOM 0 HE1 HIS A 104 26.111 12.243 56.920 1.00 0.00 H new ATOM 0 HE2 HIS A 104 26.292 14.106 58.662 1.00 0.00 H new ATOM 1659 N HIS A 105 20.463 16.240 58.210 1.00 0.00 N ATOM 1660 CA HIS A 105 20.197 16.951 59.448 1.00 0.00 C ATOM 1661 C HIS A 105 19.168 18.048 59.196 1.00 0.00 C ATOM 1662 O HIS A 105 19.557 19.144 58.741 1.00 0.00 O ATOM 1663 CB HIS A 105 21.494 17.542 60.017 1.00 0.00 C ATOM 1664 CG HIS A 105 21.364 18.046 61.424 1.00 0.00 C ATOM 1665 ND1 HIS A 105 21.623 19.355 61.745 1.00 0.00 N ATOM 1666 CD2 HIS A 105 21.017 17.377 62.549 1.00 0.00 C ATOM 1667 CE1 HIS A 105 21.429 19.456 63.050 1.00 0.00 C ATOM 1668 NE2 HIS A 105 21.061 18.283 63.579 1.00 0.00 N ATOM 1669 OXT HIS A 105 17.968 17.803 59.429 1.00 0.00 O ATOM 0 H HIS A 105 20.196 16.749 57.367 1.00 0.00 H new ATOM 0 HA HIS A 105 19.796 16.253 60.183 1.00 0.00 H new ATOM 0 HB2 HIS A 105 22.274 16.781 59.984 1.00 0.00 H new ATOM 0 HB3 HIS A 105 21.821 18.361 59.376 1.00 0.00 H new ATOM 0 HD2 HIS A 105 20.756 16.332 62.622 1.00 0.00 H new ATOM 0 HE1 HIS A 105 21.552 20.368 63.616 1.00 0.00 H new ATOM 0 HE2 HIS A 105 20.853 18.098 64.560 1.00 0.00 H new TER 1677 HIS A 105