USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 GLN : amide:sc= 1.08 K(o=0.93,f=-0.17) USER MOD Set 1.2: A 81 MET CE :methyl -155:sc= -0.145 (180deg=-0.697) USER MOD Set 2.1: A 34 HIS : no HE2:sc= -13.6! C(o=-15!,f=-22!) USER MOD Set 2.2: A 40 CYS SG : rot 14:sc= -1.2 USER MOD Single : A 2 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.043) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 49:sc= 1.21 USER MOD Single : A 11 GLN : amide:sc=-0.00438 X(o=-0.0044,f=-0.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 109:sc= 0.58 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.541 K(o=-0.54,f=0) USER MOD Single : A 39 THR OG1 : rot -12:sc= 0.825 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.0033) USER MOD Single : A 57 TYR OH : rot 34:sc= 0.716 USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= -0.174 (180deg=-0.263) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 118:sc= 1.23 USER MOD Single : A 99 HIS : no HE2:sc= 0.145 K(o=0.15,f=-2.6!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.075 K(o=0.075,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 1.932 -20.209 1.882 1.00 0.00 N ATOM 9 CA HIS A 2 1.828 -18.761 1.878 1.00 0.00 C ATOM 10 C HIS A 2 1.695 -18.354 3.339 1.00 0.00 C ATOM 11 O HIS A 2 1.135 -19.100 4.147 1.00 0.00 O ATOM 12 CB HIS A 2 0.622 -18.277 1.052 1.00 0.00 C ATOM 13 CG HIS A 2 0.636 -18.672 -0.400 1.00 0.00 C ATOM 14 ND1 HIS A 2 0.443 -19.920 -0.961 1.00 0.00 N ATOM 15 CD2 HIS A 2 0.807 -17.787 -1.414 1.00 0.00 C ATOM 16 CE1 HIS A 2 0.542 -19.780 -2.296 1.00 0.00 C ATOM 17 NE2 HIS A 2 0.801 -18.498 -2.616 1.00 0.00 N ATOM 0 HA HIS A 2 2.702 -18.306 1.412 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.289 -18.665 1.508 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.572 -17.190 1.115 1.00 0.00 H new ATOM 0 HD2 HIS A 2 0.927 -16.719 -1.310 1.00 0.00 H new ATOM 0 HE1 HIS A 2 0.430 -20.583 -3.010 1.00 0.00 H new ATOM 0 HE2 HIS A 2 0.961 -18.121 -3.550 1.00 0.00 H new ATOM 25 N VAL A 3 2.186 -17.172 3.676 1.00 0.00 N ATOM 26 CA VAL A 3 2.153 -16.658 5.035 1.00 0.00 C ATOM 27 C VAL A 3 0.936 -15.769 5.140 1.00 0.00 C ATOM 28 O VAL A 3 0.701 -14.934 4.271 1.00 0.00 O ATOM 29 CB VAL A 3 3.419 -15.852 5.310 1.00 0.00 C ATOM 30 CG1 VAL A 3 3.431 -15.152 6.665 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.649 -16.753 5.230 1.00 0.00 C ATOM 0 H VAL A 3 2.622 -16.537 3.008 1.00 0.00 H new ATOM 0 HA VAL A 3 2.103 -17.468 5.763 1.00 0.00 H new ATOM 0 HB VAL A 3 3.438 -15.079 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.365 -14.602 6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.592 -14.459 6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.346 -15.894 7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.545 -16.164 5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.566 -17.548 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.715 -17.190 4.234 1.00 0.00 H new ATOM 41 N GLN A 4 0.186 -15.924 6.215 1.00 0.00 N ATOM 42 CA GLN A 4 -0.844 -14.995 6.599 1.00 0.00 C ATOM 43 C GLN A 4 -0.154 -13.806 7.208 1.00 0.00 C ATOM 44 O GLN A 4 0.680 -13.955 8.106 1.00 0.00 O ATOM 45 CB GLN A 4 -1.840 -15.600 7.597 1.00 0.00 C ATOM 46 CG GLN A 4 -3.236 -15.144 7.179 1.00 0.00 C ATOM 47 CD GLN A 4 -4.301 -15.493 8.207 1.00 0.00 C ATOM 48 OE1 GLN A 4 -5.054 -16.447 8.023 1.00 0.00 O ATOM 49 NE2 GLN A 4 -4.435 -14.726 9.273 1.00 0.00 N ATOM 0 H GLN A 4 0.282 -16.715 6.852 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.428 -14.718 5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.774 -16.688 7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.616 -15.270 8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.229 -14.066 7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.493 -15.604 6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.805 -13.937 9.416 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.169 -14.922 9.954 1.00 0.00 H new ATOM 58 N LEU A 5 -0.535 -12.636 6.719 1.00 0.00 N ATOM 59 CA LEU A 5 -0.206 -11.389 7.354 1.00 0.00 C ATOM 60 C LEU A 5 -1.519 -10.672 7.654 1.00 0.00 C ATOM 61 O LEU A 5 -2.552 -10.950 7.037 1.00 0.00 O ATOM 62 CB LEU A 5 0.807 -10.594 6.507 1.00 0.00 C ATOM 63 CG LEU A 5 2.148 -11.345 6.317 1.00 0.00 C ATOM 64 CD1 LEU A 5 3.054 -10.640 5.312 1.00 0.00 C ATOM 65 CD2 LEU A 5 2.943 -11.482 7.624 1.00 0.00 C ATOM 0 H LEU A 5 -1.084 -12.535 5.865 1.00 0.00 H new ATOM 0 HA LEU A 5 0.310 -11.530 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.372 -10.384 5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.998 -9.633 6.984 1.00 0.00 H new ATOM 0 HG LEU A 5 1.865 -12.333 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.984 -11.198 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.552 -10.585 4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.273 -9.632 5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.873 -12.016 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.169 -10.491 8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.352 -12.036 8.353 1.00 0.00 H new ATOM 77 N SER A 6 -1.495 -9.756 8.615 1.00 0.00 N ATOM 78 CA SER A 6 -2.645 -8.939 8.955 1.00 0.00 C ATOM 79 C SER A 6 -2.145 -7.514 9.082 1.00 0.00 C ATOM 80 O SER A 6 -1.010 -7.286 9.503 1.00 0.00 O ATOM 81 CB SER A 6 -3.314 -9.455 10.235 1.00 0.00 C ATOM 82 OG SER A 6 -4.457 -8.696 10.580 1.00 0.00 O ATOM 0 H SER A 6 -0.670 -9.561 9.182 1.00 0.00 H new ATOM 0 HA SER A 6 -3.416 -8.985 8.186 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.599 -10.498 10.099 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.598 -9.425 11.056 1.00 0.00 H new ATOM 0 HG SER A 6 -5.033 -8.596 9.793 1.00 0.00 H new ATOM 88 N LEU A 7 -2.980 -6.562 8.691 1.00 0.00 N ATOM 89 CA LEU A 7 -2.657 -5.146 8.651 1.00 0.00 C ATOM 90 C LEU A 7 -3.865 -4.429 9.254 1.00 0.00 C ATOM 91 O LEU A 7 -4.979 -4.946 9.134 1.00 0.00 O ATOM 92 CB LEU A 7 -2.395 -4.720 7.188 1.00 0.00 C ATOM 93 CG LEU A 7 -1.278 -5.514 6.466 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.274 -5.209 4.967 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.119 -5.211 7.023 1.00 0.00 C ATOM 0 H LEU A 7 -3.932 -6.762 8.383 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.755 -4.900 9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.321 -4.828 6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.135 -3.662 7.174 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.500 -6.567 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.481 -5.778 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.236 -5.487 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.102 -4.144 4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.862 -5.795 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.335 -4.149 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.154 -5.473 8.080 1.00 0.00 H new ATOM 107 N PRO A 8 -3.697 -3.271 9.910 1.00 0.00 N ATOM 108 CA PRO A 8 -4.828 -2.490 10.381 1.00 0.00 C ATOM 109 C PRO A 8 -5.652 -1.970 9.192 1.00 0.00 C ATOM 110 O PRO A 8 -5.242 -2.059 8.030 1.00 0.00 O ATOM 111 CB PRO A 8 -4.209 -1.375 11.231 1.00 0.00 C ATOM 112 CG PRO A 8 -2.828 -1.171 10.615 1.00 0.00 C ATOM 113 CD PRO A 8 -2.447 -2.589 10.198 1.00 0.00 C ATOM 0 HA PRO A 8 -5.535 -3.068 10.975 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.804 -0.463 11.189 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.140 -1.663 12.280 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.859 -0.491 9.764 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.120 -0.754 11.331 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.798 -2.577 9.322 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.900 -3.096 10.993 1.00 0.00 H new ATOM 121 N VAL A 9 -6.802 -1.378 9.489 1.00 0.00 N ATOM 122 CA VAL A 9 -7.719 -0.709 8.578 1.00 0.00 C ATOM 123 C VAL A 9 -7.778 0.711 9.130 1.00 0.00 C ATOM 124 O VAL A 9 -8.220 0.900 10.267 1.00 0.00 O ATOM 125 CB VAL A 9 -9.086 -1.429 8.574 1.00 0.00 C ATOM 126 CG1 VAL A 9 -10.164 -0.797 7.688 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.932 -2.893 8.131 1.00 0.00 C ATOM 0 H VAL A 9 -7.144 -1.352 10.450 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.408 -0.715 7.533 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.422 -1.341 9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.082 -1.381 7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.356 0.223 8.020 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.822 -0.783 6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.908 -3.379 8.136 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.515 -2.927 7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.264 -3.413 8.818 1.00 0.00 H new ATOM 137 N LEU A 10 -7.229 1.665 8.383 1.00 0.00 N ATOM 138 CA LEU A 10 -6.983 3.046 8.776 1.00 0.00 C ATOM 139 C LEU A 10 -7.714 3.885 7.730 1.00 0.00 C ATOM 140 O LEU A 10 -7.614 3.602 6.529 1.00 0.00 O ATOM 141 CB LEU A 10 -5.467 3.366 8.760 1.00 0.00 C ATOM 142 CG LEU A 10 -4.565 2.594 9.756 1.00 0.00 C ATOM 143 CD1 LEU A 10 -3.090 2.682 9.332 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.650 3.086 11.197 1.00 0.00 C ATOM 0 H LEU A 10 -6.926 1.481 7.427 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.330 3.248 9.789 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.094 3.179 7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.346 4.432 8.952 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.940 1.571 9.725 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.473 2.134 10.044 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.970 2.248 8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.779 3.726 9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.987 2.490 11.825 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.349 4.133 11.242 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.675 2.987 11.555 1.00 0.00 H new ATOM 156 N GLN A 11 -8.488 4.878 8.160 1.00 0.00 N ATOM 157 CA GLN A 11 -9.217 5.739 7.242 1.00 0.00 C ATOM 158 C GLN A 11 -8.244 6.525 6.380 1.00 0.00 C ATOM 159 O GLN A 11 -7.306 7.132 6.889 1.00 0.00 O ATOM 160 CB GLN A 11 -10.131 6.696 8.017 1.00 0.00 C ATOM 161 CG GLN A 11 -11.482 6.046 8.325 1.00 0.00 C ATOM 162 CD GLN A 11 -12.629 6.598 7.483 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.458 7.000 6.335 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.825 6.650 8.042 1.00 0.00 N ATOM 0 H GLN A 11 -8.625 5.105 9.145 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.836 5.116 6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.646 6.992 8.948 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.286 7.605 7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.405 4.971 8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.714 6.191 9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.957 6.314 8.996 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.616 7.026 7.520 1.00 0.00 H new ATOM 173 N VAL A 12 -8.548 6.634 5.084 1.00 0.00 N ATOM 174 CA VAL A 12 -7.790 7.415 4.117 1.00 0.00 C ATOM 175 C VAL A 12 -7.589 8.847 4.625 1.00 0.00 C ATOM 176 O VAL A 12 -6.590 9.482 4.291 1.00 0.00 O ATOM 177 CB VAL A 12 -8.529 7.367 2.760 1.00 0.00 C ATOM 178 CG1 VAL A 12 -10.009 7.776 2.831 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.849 8.255 1.717 1.00 0.00 C ATOM 0 H VAL A 12 -9.354 6.165 4.671 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.794 6.994 3.982 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.481 6.317 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.452 7.714 1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.540 7.105 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.087 8.799 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.396 8.196 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.841 9.287 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.825 7.916 1.563 1.00 0.00 H new ATOM 189 N ARG A 13 -8.519 9.363 5.438 1.00 0.00 N ATOM 190 CA ARG A 13 -8.401 10.719 5.935 1.00 0.00 C ATOM 191 C ARG A 13 -7.247 10.840 6.914 1.00 0.00 C ATOM 192 O ARG A 13 -6.425 11.741 6.787 1.00 0.00 O ATOM 193 CB ARG A 13 -9.714 11.232 6.546 1.00 0.00 C ATOM 194 CG ARG A 13 -10.454 10.248 7.459 1.00 0.00 C ATOM 195 CD ARG A 13 -11.360 10.963 8.458 1.00 0.00 C ATOM 196 NE ARG A 13 -10.760 11.007 9.801 1.00 0.00 N ATOM 197 CZ ARG A 13 -11.417 11.222 10.943 1.00 0.00 C ATOM 198 NH1 ARG A 13 -12.692 11.598 10.917 1.00 0.00 N ATOM 199 NH2 ARG A 13 -10.757 11.052 12.082 1.00 0.00 N ATOM 0 H ARG A 13 -9.348 8.861 5.757 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.186 11.358 5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.499 12.136 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.383 11.519 5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.051 9.568 6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.729 9.639 7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.553 11.978 8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.323 10.454 8.506 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.753 10.860 9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.169 11.722 10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.193 11.762 11.790 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.778 10.766 12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.229 11.208 12.973 1.00 0.00 H new ATOM 213 N ASP A 14 -7.186 9.918 7.869 1.00 0.00 N ATOM 214 CA ASP A 14 -6.300 9.988 9.021 1.00 0.00 C ATOM 215 C ASP A 14 -4.854 9.864 8.563 1.00 0.00 C ATOM 216 O ASP A 14 -3.984 10.609 9.005 1.00 0.00 O ATOM 217 CB ASP A 14 -6.633 8.845 9.989 1.00 0.00 C ATOM 218 CG ASP A 14 -7.876 9.089 10.853 1.00 0.00 C ATOM 219 OD1 ASP A 14 -8.276 10.257 11.077 1.00 0.00 O ATOM 220 OD2 ASP A 14 -8.534 8.103 11.251 1.00 0.00 O ATOM 0 H ASP A 14 -7.768 9.080 7.861 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.436 10.944 9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.778 7.930 9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.777 8.678 10.643 1.00 0.00 H new ATOM 225 N VAL A 15 -4.651 8.942 7.628 1.00 0.00 N ATOM 226 CA VAL A 15 -3.464 8.535 6.897 1.00 0.00 C ATOM 227 C VAL A 15 -2.885 9.676 6.068 1.00 0.00 C ATOM 228 O VAL A 15 -3.035 9.678 4.854 1.00 0.00 O ATOM 229 CB VAL A 15 -3.763 7.255 6.094 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.484 6.686 5.488 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.342 6.111 6.949 1.00 0.00 C ATOM 0 H VAL A 15 -5.444 8.378 7.322 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.671 8.287 7.602 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.489 7.569 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.719 5.782 4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.038 7.424 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.780 6.445 6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.528 5.243 6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.631 5.845 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.278 6.435 7.404 1.00 0.00 H new ATOM 241 N LEU A 16 -2.399 10.731 6.712 1.00 0.00 N ATOM 242 CA LEU A 16 -1.811 11.949 6.163 1.00 0.00 C ATOM 243 C LEU A 16 -1.037 11.794 4.861 1.00 0.00 C ATOM 244 O LEU A 16 -0.968 12.746 4.088 1.00 0.00 O ATOM 245 CB LEU A 16 -1.047 12.667 7.283 1.00 0.00 C ATOM 246 CG LEU A 16 0.472 12.667 7.434 1.00 0.00 C ATOM 247 CD1 LEU A 16 1.136 13.421 6.272 1.00 0.00 C ATOM 248 CD2 LEU A 16 0.844 13.456 8.695 1.00 0.00 C ATOM 0 H LEU A 16 -2.407 10.758 7.732 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.629 12.584 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.344 13.714 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.443 12.273 8.219 1.00 0.00 H new ATOM 0 HG LEU A 16 0.803 11.629 7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.218 13.408 6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.877 12.938 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.785 14.453 6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.928 13.463 8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.482 14.480 8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.387 12.987 9.566 1.00 0.00 H new ATOM 260 N VAL A 17 -0.472 10.620 4.613 1.00 0.00 N ATOM 261 CA VAL A 17 0.346 10.328 3.457 1.00 0.00 C ATOM 262 C VAL A 17 0.002 8.955 2.901 1.00 0.00 C ATOM 263 O VAL A 17 0.388 7.930 3.464 1.00 0.00 O ATOM 264 CB VAL A 17 1.837 10.553 3.799 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.155 10.130 5.250 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.829 9.926 2.814 1.00 0.00 C ATOM 0 H VAL A 17 -0.578 9.820 5.237 1.00 0.00 H new ATOM 0 HA VAL A 17 0.131 11.019 2.642 1.00 0.00 H new ATOM 0 HB VAL A 17 1.981 11.629 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.211 10.302 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.550 10.717 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.928 9.072 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.848 10.138 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.676 8.847 2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.670 10.346 1.821 1.00 0.00 H new ATOM 276 N ARG A 18 -0.733 8.929 1.784 1.00 0.00 N ATOM 277 CA ARG A 18 -1.124 7.711 1.083 1.00 0.00 C ATOM 278 C ARG A 18 -0.299 7.563 -0.196 1.00 0.00 C ATOM 279 O ARG A 18 -0.849 7.388 -1.288 1.00 0.00 O ATOM 280 CB ARG A 18 -2.634 7.659 0.841 1.00 0.00 C ATOM 281 CG ARG A 18 -3.472 8.279 1.957 1.00 0.00 C ATOM 282 CD ARG A 18 -3.808 9.710 1.559 1.00 0.00 C ATOM 283 NE ARG A 18 -4.573 10.419 2.585 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.386 11.672 3.009 1.00 0.00 C ATOM 285 NH1 ARG A 18 -3.528 12.481 2.401 1.00 0.00 N ATOM 286 NH2 ARG A 18 -5.084 12.095 4.054 1.00 0.00 N ATOM 0 H ARG A 18 -1.079 9.777 1.335 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.904 6.849 1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.858 8.173 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.934 6.619 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.384 7.703 2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.922 8.265 2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.884 10.254 1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.378 9.700 0.630 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.333 9.900 3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.998 12.149 1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.399 13.435 2.739 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.744 11.468 4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.960 13.047 4.398 1.00 0.00 H new ATOM 300 N GLY A 19 1.017 7.663 -0.063 1.00 0.00 N ATOM 301 CA GLY A 19 1.971 7.522 -1.147 1.00 0.00 C ATOM 302 C GLY A 19 3.295 7.109 -0.524 1.00 0.00 C ATOM 303 O GLY A 19 3.853 7.854 0.282 1.00 0.00 O ATOM 0 H GLY A 19 1.462 7.851 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.632 6.774 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.077 8.460 -1.692 1.00 0.00 H new ATOM 307 N PHE A 20 3.751 5.877 -0.775 1.00 0.00 N ATOM 308 CA PHE A 20 5.025 5.414 -0.217 1.00 0.00 C ATOM 309 C PHE A 20 6.223 6.079 -0.893 1.00 0.00 C ATOM 310 O PHE A 20 7.330 6.031 -0.363 1.00 0.00 O ATOM 311 CB PHE A 20 5.171 3.901 -0.352 1.00 0.00 C ATOM 312 CG PHE A 20 4.304 3.078 0.559 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.520 3.111 1.939 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.324 2.220 0.037 1.00 0.00 C ATOM 315 CE1 PHE A 20 3.660 2.405 2.775 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.554 1.414 0.891 1.00 0.00 C ATOM 317 CZ PHE A 20 2.695 1.499 2.286 1.00 0.00 C ATOM 0 H PHE A 20 3.265 5.191 -1.353 1.00 0.00 H new ATOM 0 HA PHE A 20 5.013 5.692 0.837 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.949 3.624 -1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.212 3.637 -0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.343 3.676 2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.161 2.179 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.734 2.557 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.843 0.719 0.469 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.093 0.899 2.953 1.00 0.00 H new ATOM 327 N GLY A 21 6.016 6.672 -2.058 1.00 0.00 N ATOM 328 CA GLY A 21 6.955 7.385 -2.891 1.00 0.00 C ATOM 329 C GLY A 21 6.132 7.959 -4.029 1.00 0.00 C ATOM 330 O GLY A 21 4.926 7.702 -4.106 1.00 0.00 O ATOM 0 H GLY A 21 5.088 6.661 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.455 8.175 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.732 6.719 -3.266 1.00 0.00 H new ATOM 334 N ASP A 22 6.774 8.717 -4.906 1.00 0.00 N ATOM 335 CA ASP A 22 6.063 9.467 -5.932 1.00 0.00 C ATOM 336 C ASP A 22 6.038 8.725 -7.275 1.00 0.00 C ATOM 337 O ASP A 22 5.300 9.119 -8.178 1.00 0.00 O ATOM 338 CB ASP A 22 6.647 10.884 -6.030 1.00 0.00 C ATOM 339 CG ASP A 22 5.579 11.936 -6.336 1.00 0.00 C ATOM 340 OD1 ASP A 22 4.592 12.029 -5.560 1.00 0.00 O ATOM 341 OD2 ASP A 22 5.776 12.753 -7.260 1.00 0.00 O ATOM 0 H ASP A 22 7.788 8.829 -4.928 1.00 0.00 H new ATOM 0 HA ASP A 22 5.016 9.560 -5.644 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.142 11.135 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.409 10.907 -6.809 1.00 0.00 H new ATOM 346 N SER A 23 6.764 7.601 -7.398 1.00 0.00 N ATOM 347 CA SER A 23 6.703 6.714 -8.560 1.00 0.00 C ATOM 348 C SER A 23 6.275 5.308 -8.139 1.00 0.00 C ATOM 349 O SER A 23 6.436 4.909 -6.986 1.00 0.00 O ATOM 350 CB SER A 23 8.033 6.657 -9.333 1.00 0.00 C ATOM 351 OG SER A 23 8.857 7.799 -9.163 1.00 0.00 O ATOM 0 H SER A 23 7.416 7.284 -6.681 1.00 0.00 H new ATOM 0 HA SER A 23 5.957 7.132 -9.236 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.587 5.774 -9.015 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.818 6.534 -10.394 1.00 0.00 H new ATOM 0 HG SER A 23 9.681 7.688 -9.682 1.00 0.00 H new ATOM 357 N VAL A 24 5.771 4.529 -9.096 1.00 0.00 N ATOM 358 CA VAL A 24 5.343 3.147 -8.893 1.00 0.00 C ATOM 359 C VAL A 24 6.502 2.293 -8.385 1.00 0.00 C ATOM 360 O VAL A 24 6.317 1.541 -7.433 1.00 0.00 O ATOM 361 CB VAL A 24 4.626 2.587 -10.154 1.00 0.00 C ATOM 362 CG1 VAL A 24 5.000 3.303 -11.457 1.00 0.00 C ATOM 363 CG2 VAL A 24 4.844 1.088 -10.410 1.00 0.00 C ATOM 0 H VAL A 24 5.647 4.850 -10.056 1.00 0.00 H new ATOM 0 HA VAL A 24 4.589 3.113 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 24 3.582 2.770 -9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.457 2.853 -12.288 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.737 4.358 -11.381 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.072 3.208 -11.630 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.306 0.790 -11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.908 0.893 -10.543 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.473 0.516 -9.559 1.00 0.00 H new ATOM 373 N GLU A 25 7.676 2.390 -9.009 1.00 0.00 N ATOM 374 CA GLU A 25 8.813 1.548 -8.657 1.00 0.00 C ATOM 375 C GLU A 25 9.413 1.927 -7.302 1.00 0.00 C ATOM 376 O GLU A 25 10.033 1.085 -6.653 1.00 0.00 O ATOM 377 CB GLU A 25 9.874 1.618 -9.757 1.00 0.00 C ATOM 378 CG GLU A 25 9.395 0.952 -11.062 1.00 0.00 C ATOM 379 CD GLU A 25 10.427 -0.035 -11.613 1.00 0.00 C ATOM 380 OE1 GLU A 25 11.551 0.397 -11.950 1.00 0.00 O ATOM 381 OE2 GLU A 25 10.108 -1.243 -11.718 1.00 0.00 O ATOM 0 H GLU A 25 7.862 3.049 -9.765 1.00 0.00 H new ATOM 0 HA GLU A 25 8.453 0.523 -8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.126 2.660 -9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.786 1.129 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.456 0.430 -10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.193 1.720 -11.808 1.00 0.00 H new ATOM 388 N GLU A 26 9.221 3.172 -6.867 1.00 0.00 N ATOM 389 CA GLU A 26 9.444 3.558 -5.482 1.00 0.00 C ATOM 390 C GLU A 26 8.441 2.767 -4.641 1.00 0.00 C ATOM 391 O GLU A 26 8.795 1.852 -3.900 1.00 0.00 O ATOM 392 CB GLU A 26 9.296 5.077 -5.261 1.00 0.00 C ATOM 393 CG GLU A 26 10.065 5.961 -6.248 1.00 0.00 C ATOM 394 CD GLU A 26 11.462 5.493 -6.660 1.00 0.00 C ATOM 395 OE1 GLU A 26 12.442 5.822 -5.957 1.00 0.00 O ATOM 396 OE2 GLU A 26 11.597 4.944 -7.780 1.00 0.00 O ATOM 0 H GLU A 26 8.908 3.936 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 26 10.469 3.329 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.238 5.334 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.629 5.314 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.463 6.063 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.156 6.955 -5.811 1.00 0.00 H new ATOM 403 N ALA A 27 7.157 3.086 -4.797 1.00 0.00 N ATOM 404 CA ALA A 27 6.120 2.750 -3.844 1.00 0.00 C ATOM 405 C ALA A 27 5.975 1.243 -3.660 1.00 0.00 C ATOM 406 O ALA A 27 5.844 0.773 -2.529 1.00 0.00 O ATOM 407 CB ALA A 27 4.811 3.396 -4.294 1.00 0.00 C ATOM 0 H ALA A 27 6.809 3.596 -5.609 1.00 0.00 H new ATOM 0 HA ALA A 27 6.397 3.142 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.021 3.150 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.936 4.478 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.541 3.021 -5.281 1.00 0.00 H new ATOM 413 N LEU A 28 6.005 0.473 -4.752 1.00 0.00 N ATOM 414 CA LEU A 28 5.910 -0.980 -4.700 1.00 0.00 C ATOM 415 C LEU A 28 7.054 -1.586 -3.870 1.00 0.00 C ATOM 416 O LEU A 28 6.854 -2.553 -3.130 1.00 0.00 O ATOM 417 CB LEU A 28 5.923 -1.509 -6.146 1.00 0.00 C ATOM 418 CG LEU A 28 4.946 -2.665 -6.397 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.029 -3.087 -7.867 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.176 -3.882 -5.500 1.00 0.00 C ATOM 0 H LEU A 28 6.096 0.846 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 28 4.983 -1.274 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.682 -0.690 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.932 -1.840 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 28 3.953 -2.290 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.336 -3.908 -8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.766 -2.242 -8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.044 -3.411 -8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.445 -4.654 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.181 -4.270 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.066 -3.590 -4.456 1.00 0.00 H new ATOM 432 N SER A 29 8.260 -1.039 -3.996 1.00 0.00 N ATOM 433 CA SER A 29 9.446 -1.464 -3.265 1.00 0.00 C ATOM 434 C SER A 29 9.386 -1.042 -1.814 1.00 0.00 C ATOM 435 O SER A 29 9.608 -1.873 -0.928 1.00 0.00 O ATOM 436 CB SER A 29 10.664 -0.843 -3.930 1.00 0.00 C ATOM 437 OG SER A 29 10.737 -1.376 -5.240 1.00 0.00 O ATOM 0 H SER A 29 8.443 -0.262 -4.631 1.00 0.00 H new ATOM 0 HA SER A 29 9.505 -2.552 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.575 0.243 -3.960 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.569 -1.074 -3.369 1.00 0.00 H new ATOM 0 HG SER A 29 10.507 -0.679 -5.890 1.00 0.00 H new ATOM 443 N GLU A 30 9.071 0.227 -1.568 1.00 0.00 N ATOM 444 CA GLU A 30 8.989 0.748 -0.225 1.00 0.00 C ATOM 445 C GLU A 30 7.933 -0.025 0.557 1.00 0.00 C ATOM 446 O GLU A 30 8.121 -0.326 1.735 1.00 0.00 O ATOM 447 CB GLU A 30 8.570 2.209 -0.264 1.00 0.00 C ATOM 448 CG GLU A 30 9.282 3.247 -1.140 1.00 0.00 C ATOM 449 CD GLU A 30 10.729 2.948 -1.545 1.00 0.00 C ATOM 450 OE1 GLU A 30 11.461 2.277 -0.779 1.00 0.00 O ATOM 451 OE2 GLU A 30 11.182 3.470 -2.589 1.00 0.00 O ATOM 0 H GLU A 30 8.868 0.912 -2.296 1.00 0.00 H new ATOM 0 HA GLU A 30 9.965 0.649 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.519 2.225 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.624 2.576 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.697 3.379 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.269 4.200 -0.612 1.00 0.00 H new ATOM 458 N ALA A 31 6.831 -0.394 -0.105 1.00 0.00 N ATOM 459 CA ALA A 31 5.817 -1.215 0.503 1.00 0.00 C ATOM 460 C ALA A 31 6.416 -2.525 0.979 1.00 0.00 C ATOM 461 O ALA A 31 6.322 -2.800 2.174 1.00 0.00 O ATOM 462 CB ALA A 31 4.612 -1.416 -0.388 1.00 0.00 C ATOM 0 H ALA A 31 6.632 -0.127 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 31 5.439 -0.682 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.882 -2.043 0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.164 -0.449 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.921 -1.901 -1.314 1.00 0.00 H new ATOM 468 N ARG A 32 7.062 -3.306 0.107 1.00 0.00 N ATOM 469 CA ARG A 32 7.674 -4.572 0.520 1.00 0.00 C ATOM 470 C ARG A 32 8.606 -4.396 1.697 1.00 0.00 C ATOM 471 O ARG A 32 8.602 -5.258 2.584 1.00 0.00 O ATOM 472 CB ARG A 32 8.419 -5.254 -0.637 1.00 0.00 C ATOM 473 CG ARG A 32 7.428 -5.869 -1.622 1.00 0.00 C ATOM 474 CD ARG A 32 8.100 -6.761 -2.661 1.00 0.00 C ATOM 475 NE ARG A 32 7.109 -7.372 -3.569 1.00 0.00 N ATOM 476 CZ ARG A 32 6.419 -8.504 -3.381 1.00 0.00 C ATOM 477 NH1 ARG A 32 6.675 -9.283 -2.331 1.00 0.00 N ATOM 478 NH2 ARG A 32 5.470 -8.835 -4.254 1.00 0.00 N ATOM 0 H ARG A 32 7.174 -3.085 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 32 6.851 -5.217 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.048 -4.527 -1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.080 -6.028 -0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.691 -6.453 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.887 -5.071 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.813 -6.174 -3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.667 -7.545 -2.158 1.00 0.00 H new ATOM 0 HE ARG A 32 6.929 -6.874 -4.441 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.400 -9.018 -1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.146 -10.144 -2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.277 -8.230 -5.052 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.935 -9.694 -4.125 1.00 0.00 H new ATOM 492 N GLU A 33 9.358 -3.302 1.745 1.00 0.00 N ATOM 493 CA GLU A 33 10.284 -3.053 2.797 1.00 0.00 C ATOM 494 C GLU A 33 9.521 -2.762 4.090 1.00 0.00 C ATOM 495 O GLU A 33 9.780 -3.391 5.118 1.00 0.00 O ATOM 496 CB GLU A 33 11.158 -1.919 2.271 1.00 0.00 C ATOM 497 CG GLU A 33 11.705 -0.923 3.273 1.00 0.00 C ATOM 498 CD GLU A 33 13.139 -1.206 3.726 1.00 0.00 C ATOM 499 OE1 GLU A 33 13.358 -2.233 4.414 1.00 0.00 O ATOM 500 OE2 GLU A 33 14.046 -0.397 3.420 1.00 0.00 O ATOM 0 H GLU A 33 9.327 -2.567 1.038 1.00 0.00 H new ATOM 0 HA GLU A 33 10.924 -3.895 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.003 -2.364 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.579 -1.366 1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.665 0.074 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.056 -0.912 4.148 1.00 0.00 H new ATOM 507 N HIS A 34 8.560 -1.836 4.091 1.00 0.00 N ATOM 508 CA HIS A 34 8.003 -1.357 5.337 1.00 0.00 C ATOM 509 C HIS A 34 6.952 -2.367 5.859 1.00 0.00 C ATOM 510 O HIS A 34 6.611 -2.378 7.042 1.00 0.00 O ATOM 511 CB HIS A 34 7.554 0.081 5.071 1.00 0.00 C ATOM 512 CG HIS A 34 6.141 0.140 4.737 1.00 0.00 C ATOM 513 ND1 HIS A 34 5.577 -0.626 3.768 1.00 0.00 N ATOM 514 CD2 HIS A 34 5.199 0.884 5.362 1.00 0.00 C ATOM 515 CE1 HIS A 34 4.282 -0.398 3.822 1.00 0.00 C ATOM 516 NE2 HIS A 34 4.001 0.469 4.812 1.00 0.00 N ATOM 0 H HIS A 34 8.163 -1.414 3.252 1.00 0.00 H new ATOM 0 HA HIS A 34 8.704 -1.305 6.170 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.748 0.693 5.952 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.141 0.502 4.255 1.00 0.00 H new ATOM 0 HD1 HIS A 34 6.061 -1.254 3.126 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.350 1.636 6.122 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.549 -0.843 3.165 1.00 0.00 H new ATOM 524 N LEU A 35 6.504 -3.285 4.993 1.00 0.00 N ATOM 525 CA LEU A 35 5.753 -4.487 5.300 1.00 0.00 C ATOM 526 C LEU A 35 6.639 -5.499 6.014 1.00 0.00 C ATOM 527 O LEU A 35 6.200 -6.049 7.022 1.00 0.00 O ATOM 528 CB LEU A 35 5.194 -5.095 4.002 1.00 0.00 C ATOM 529 CG LEU A 35 3.985 -4.314 3.459 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.669 -4.655 2.005 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.742 -4.605 4.289 1.00 0.00 C ATOM 0 H LEU A 35 6.674 -3.191 3.992 1.00 0.00 H new ATOM 0 HA LEU A 35 4.925 -4.227 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.979 -5.115 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.902 -6.129 4.185 1.00 0.00 H new ATOM 0 HG LEU A 35 4.256 -3.260 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.807 -4.075 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.529 -4.415 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.444 -5.718 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.898 -4.043 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.520 -5.671 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.918 -4.309 5.323 1.00 0.00 H new ATOM 543 N LYS A 36 7.869 -5.737 5.544 1.00 0.00 N ATOM 544 CA LYS A 36 8.857 -6.560 6.222 1.00 0.00 C ATOM 545 C LYS A 36 9.190 -6.002 7.600 1.00 0.00 C ATOM 546 O LYS A 36 9.299 -6.786 8.540 1.00 0.00 O ATOM 547 CB LYS A 36 10.077 -6.674 5.311 1.00 0.00 C ATOM 548 CG LYS A 36 10.972 -7.858 5.676 1.00 0.00 C ATOM 549 CD LYS A 36 12.106 -7.550 6.662 1.00 0.00 C ATOM 550 CE LYS A 36 13.119 -6.633 5.979 1.00 0.00 C ATOM 551 NZ LYS A 36 14.230 -6.258 6.870 1.00 0.00 N ATOM 0 H LYS A 36 8.205 -5.351 4.662 1.00 0.00 H new ATOM 0 HA LYS A 36 8.463 -7.559 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.746 -6.778 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.657 -5.753 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.349 -8.645 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.409 -8.257 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.708 -7.072 7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.589 -8.473 6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.518 -7.132 5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.613 -5.731 5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.889 -5.636 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.855 -5.758 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.732 -7.115 7.179 1.00 0.00 H new ATOM 565 N ASN A 37 9.306 -4.677 7.727 1.00 0.00 N ATOM 566 CA ASN A 37 9.459 -4.003 9.020 1.00 0.00 C ATOM 567 C ASN A 37 8.230 -4.196 9.910 1.00 0.00 C ATOM 568 O ASN A 37 8.345 -4.087 11.131 1.00 0.00 O ATOM 569 CB ASN A 37 9.636 -2.492 8.848 1.00 0.00 C ATOM 570 CG ASN A 37 11.003 -2.065 8.357 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.939 -1.953 9.139 1.00 0.00 O ATOM 572 ND2 ASN A 37 11.171 -1.853 7.068 1.00 0.00 N ATOM 0 H ASN A 37 9.296 -4.038 6.932 1.00 0.00 H new ATOM 0 HA ASN A 37 10.341 -4.449 9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.884 -2.130 8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.441 -2.006 9.804 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.090 -1.592 6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.383 -1.950 6.428 1.00 0.00 H new ATOM 579 N GLY A 38 7.061 -4.446 9.315 1.00 0.00 N ATOM 580 CA GLY A 38 5.781 -4.565 9.988 1.00 0.00 C ATOM 581 C GLY A 38 5.307 -3.194 10.442 1.00 0.00 C ATOM 582 O GLY A 38 5.139 -2.983 11.639 1.00 0.00 O ATOM 0 H GLY A 38 6.986 -4.575 8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.047 -5.009 9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.872 -5.231 10.846 1.00 0.00 H new ATOM 586 N THR A 39 5.157 -2.269 9.485 1.00 0.00 N ATOM 587 CA THR A 39 4.785 -0.872 9.712 1.00 0.00 C ATOM 588 C THR A 39 3.854 -0.366 8.597 1.00 0.00 C ATOM 589 O THR A 39 3.948 0.783 8.167 1.00 0.00 O ATOM 590 CB THR A 39 6.080 -0.026 9.863 1.00 0.00 C ATOM 591 OG1 THR A 39 6.969 -0.185 8.762 1.00 0.00 O ATOM 592 CG2 THR A 39 6.919 -0.392 11.092 1.00 0.00 C ATOM 0 H THR A 39 5.297 -2.483 8.498 1.00 0.00 H new ATOM 0 HA THR A 39 4.216 -0.776 10.636 1.00 0.00 H new ATOM 0 HB THR A 39 5.695 0.991 9.941 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.676 -0.941 8.212 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.806 0.241 11.129 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.327 -0.241 11.995 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.222 -1.437 11.028 1.00 0.00 H new ATOM 600 N CYS A 40 2.920 -1.206 8.137 1.00 0.00 N ATOM 601 CA CYS A 40 1.965 -0.861 7.085 1.00 0.00 C ATOM 602 C CYS A 40 0.549 -1.157 7.549 1.00 0.00 C ATOM 603 O CYS A 40 0.324 -2.028 8.388 1.00 0.00 O ATOM 604 CB CYS A 40 2.304 -1.630 5.807 1.00 0.00 C ATOM 605 SG CYS A 40 1.283 -1.195 4.376 1.00 0.00 S ATOM 0 H CYS A 40 2.807 -2.156 8.491 1.00 0.00 H new ATOM 0 HA CYS A 40 2.030 0.205 6.869 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.350 -1.453 5.558 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.199 -2.697 6.002 1.00 0.00 H new ATOM 0 HG CYS A 40 0.638 -0.094 4.622 1.00 0.00 H new ATOM 611 N GLY A 41 -0.400 -0.453 6.957 1.00 0.00 N ATOM 612 CA GLY A 41 -1.821 -0.635 7.048 1.00 0.00 C ATOM 613 C GLY A 41 -2.392 -0.996 5.672 1.00 0.00 C ATOM 614 O GLY A 41 -1.814 -1.771 4.916 1.00 0.00 O ATOM 0 H GLY A 41 -0.164 0.330 6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.050 -1.424 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.290 0.277 7.418 1.00 0.00 H new ATOM 618 N LEU A 42 -3.566 -0.464 5.368 1.00 0.00 N ATOM 619 CA LEU A 42 -4.454 -0.733 4.249 1.00 0.00 C ATOM 620 C LEU A 42 -5.389 0.473 4.132 1.00 0.00 C ATOM 621 O LEU A 42 -5.726 1.086 5.148 1.00 0.00 O ATOM 622 CB LEU A 42 -5.257 -2.025 4.535 1.00 0.00 C ATOM 623 CG LEU A 42 -6.131 -2.556 3.377 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.302 -3.235 2.269 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.138 -3.583 3.921 1.00 0.00 C ATOM 0 H LEU A 42 -3.966 0.253 5.974 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.905 -0.880 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.555 -2.808 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.901 -1.844 5.395 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.637 -1.694 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.968 -3.589 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.595 -2.517 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.756 -4.080 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.754 -3.957 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.600 -4.413 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.775 -3.108 4.667 1.00 0.00 H new ATOM 637 N VAL A 43 -5.861 0.776 2.931 1.00 0.00 N ATOM 638 CA VAL A 43 -6.917 1.720 2.610 1.00 0.00 C ATOM 639 C VAL A 43 -7.934 0.941 1.784 1.00 0.00 C ATOM 640 O VAL A 43 -7.586 0.329 0.771 1.00 0.00 O ATOM 641 CB VAL A 43 -6.335 2.980 1.924 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.310 3.713 0.991 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.892 3.980 3.000 1.00 0.00 C ATOM 0 H VAL A 43 -5.485 0.333 2.093 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.419 2.120 3.491 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.509 2.620 1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.815 4.581 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.627 3.040 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.181 4.039 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.481 4.870 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.750 4.260 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.130 3.522 3.631 1.00 0.00 H new ATOM 653 N GLU A 44 -9.181 0.914 2.250 1.00 0.00 N ATOM 654 CA GLU A 44 -10.291 0.327 1.513 1.00 0.00 C ATOM 655 C GLU A 44 -10.529 1.134 0.237 1.00 0.00 C ATOM 656 O GLU A 44 -10.408 2.364 0.262 1.00 0.00 O ATOM 657 CB GLU A 44 -11.566 0.370 2.353 1.00 0.00 C ATOM 658 CG GLU A 44 -11.486 -0.429 3.656 1.00 0.00 C ATOM 659 CD GLU A 44 -12.876 -0.485 4.276 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.756 -1.114 3.643 1.00 0.00 O ATOM 661 OE2 GLU A 44 -13.104 0.168 5.321 1.00 0.00 O ATOM 0 H GLU A 44 -9.448 1.302 3.155 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.045 -0.708 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.796 1.409 2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.394 -0.012 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.118 -1.436 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.783 0.039 4.345 1.00 0.00 H new ATOM 668 N LEU A 45 -10.899 0.468 -0.862 1.00 0.00 N ATOM 669 CA LEU A 45 -11.158 1.154 -2.127 1.00 0.00 C ATOM 670 C LEU A 45 -12.606 1.594 -2.229 1.00 0.00 C ATOM 671 O LEU A 45 -13.545 0.800 -2.117 1.00 0.00 O ATOM 672 CB LEU A 45 -10.721 0.296 -3.325 1.00 0.00 C ATOM 673 CG LEU A 45 -9.227 0.517 -3.626 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.655 -0.657 -4.425 1.00 0.00 C ATOM 675 CD2 LEU A 45 -9.025 1.831 -4.397 1.00 0.00 C ATOM 0 H LEU A 45 -11.025 -0.544 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.552 2.060 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.904 -0.757 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.317 0.552 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.694 0.580 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.599 -0.480 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.765 -1.577 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.193 -0.752 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.964 1.973 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.574 1.789 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.393 2.664 -3.799 1.00 0.00 H new ATOM 687 N GLU A 46 -12.778 2.895 -2.416 1.00 0.00 N ATOM 688 CA GLU A 46 -13.996 3.635 -2.171 1.00 0.00 C ATOM 689 C GLU A 46 -14.188 4.633 -3.314 1.00 0.00 C ATOM 690 O GLU A 46 -13.312 4.746 -4.180 1.00 0.00 O ATOM 691 CB GLU A 46 -13.785 4.321 -0.814 1.00 0.00 C ATOM 692 CG GLU A 46 -14.946 4.251 0.154 1.00 0.00 C ATOM 693 CD GLU A 46 -16.019 5.279 -0.205 1.00 0.00 C ATOM 694 OE1 GLU A 46 -15.925 6.439 0.260 1.00 0.00 O ATOM 695 OE2 GLU A 46 -16.873 4.933 -1.052 1.00 0.00 O ATOM 0 H GLU A 46 -12.026 3.491 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.894 3.018 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.912 3.876 -0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.550 5.370 -0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.377 3.250 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.590 4.430 1.169 1.00 0.00 H new ATOM 702 N LYS A 47 -15.302 5.367 -3.352 1.00 0.00 N ATOM 703 CA LYS A 47 -15.514 6.379 -4.379 1.00 0.00 C ATOM 704 C LYS A 47 -14.426 7.447 -4.298 1.00 0.00 C ATOM 705 O LYS A 47 -13.535 7.484 -5.154 1.00 0.00 O ATOM 706 CB LYS A 47 -16.937 6.945 -4.308 1.00 0.00 C ATOM 707 CG LYS A 47 -17.172 7.841 -5.531 1.00 0.00 C ATOM 708 CD LYS A 47 -18.651 8.156 -5.740 1.00 0.00 C ATOM 709 CE LYS A 47 -18.792 9.101 -6.937 1.00 0.00 C ATOM 710 NZ LYS A 47 -19.970 8.756 -7.752 1.00 0.00 N ATOM 0 H LYS A 47 -16.067 5.277 -2.684 1.00 0.00 H new ATOM 0 HA LYS A 47 -15.428 5.920 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.665 6.134 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.071 7.517 -3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.618 8.772 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.778 7.349 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.211 7.238 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.069 8.617 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.879 10.129 -6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.893 9.050 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.041 9.412 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.874 7.783 -8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.828 8.828 -7.169 1.00 0.00 H new ATOM 724 N GLY A 48 -14.465 8.278 -3.263 1.00 0.00 N ATOM 725 CA GLY A 48 -13.556 9.399 -3.131 1.00 0.00 C ATOM 726 C GLY A 48 -12.259 8.980 -2.455 1.00 0.00 C ATOM 727 O GLY A 48 -11.853 9.632 -1.500 1.00 0.00 O ATOM 0 H GLY A 48 -15.129 8.190 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.339 9.812 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.032 10.190 -2.552 1.00 0.00 H new ATOM 731 N VAL A 49 -11.601 7.911 -2.911 1.00 0.00 N ATOM 732 CA VAL A 49 -10.299 7.492 -2.391 1.00 0.00 C ATOM 733 C VAL A 49 -9.206 7.898 -3.357 1.00 0.00 C ATOM 734 O VAL A 49 -8.404 8.753 -3.010 1.00 0.00 O ATOM 735 CB VAL A 49 -10.338 5.999 -2.006 1.00 0.00 C ATOM 736 CG1 VAL A 49 -9.009 5.230 -2.066 1.00 0.00 C ATOM 737 CG2 VAL A 49 -10.837 5.910 -0.558 1.00 0.00 C ATOM 0 H VAL A 49 -11.958 7.310 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.058 8.009 -1.462 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.981 5.533 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.175 4.194 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.616 5.261 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.292 5.690 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.878 4.865 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.156 6.454 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.833 6.347 -0.489 1.00 0.00 H new ATOM 747 N LEU A 50 -9.207 7.360 -4.574 1.00 0.00 N ATOM 748 CA LEU A 50 -8.191 7.652 -5.578 1.00 0.00 C ATOM 749 C LEU A 50 -7.943 9.168 -5.750 1.00 0.00 C ATOM 750 O LEU A 50 -6.770 9.544 -5.754 1.00 0.00 O ATOM 751 CB LEU A 50 -8.617 6.992 -6.898 1.00 0.00 C ATOM 752 CG LEU A 50 -8.262 5.491 -7.072 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.034 5.164 -8.553 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.062 4.979 -6.264 1.00 0.00 C ATOM 0 H LEU A 50 -9.920 6.704 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.237 7.241 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.697 7.101 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.162 7.547 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.130 4.971 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.786 4.108 -8.658 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.941 5.382 -9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.213 5.770 -8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.912 3.919 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.168 5.534 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.253 5.121 -5.200 1.00 0.00 H new ATOM 766 N PRO A 51 -8.954 10.063 -5.829 1.00 0.00 N ATOM 767 CA PRO A 51 -8.687 11.488 -6.005 1.00 0.00 C ATOM 768 C PRO A 51 -8.137 12.175 -4.735 1.00 0.00 C ATOM 769 O PRO A 51 -7.754 13.341 -4.802 1.00 0.00 O ATOM 770 CB PRO A 51 -10.002 12.095 -6.497 1.00 0.00 C ATOM 771 CG PRO A 51 -11.067 11.207 -5.865 1.00 0.00 C ATOM 772 CD PRO A 51 -10.398 9.834 -5.791 1.00 0.00 C ATOM 0 HA PRO A 51 -7.887 11.644 -6.728 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.107 13.133 -6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.066 12.085 -7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.353 11.567 -4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.974 11.178 -6.469 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.683 9.314 -4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.712 9.206 -6.625 1.00 0.00 H new ATOM 780 N GLN A 52 -8.087 11.500 -3.577 1.00 0.00 N ATOM 781 CA GLN A 52 -7.445 11.988 -2.350 1.00 0.00 C ATOM 782 C GLN A 52 -6.077 11.336 -2.121 1.00 0.00 C ATOM 783 O GLN A 52 -5.287 11.837 -1.317 1.00 0.00 O ATOM 784 CB GLN A 52 -8.303 11.672 -1.116 1.00 0.00 C ATOM 785 CG GLN A 52 -9.755 12.143 -1.218 1.00 0.00 C ATOM 786 CD GLN A 52 -10.435 12.081 0.144 1.00 0.00 C ATOM 787 OE1 GLN A 52 -10.792 13.103 0.725 1.00 0.00 O ATOM 788 NE2 GLN A 52 -10.650 10.891 0.669 1.00 0.00 N ATOM 0 H GLN A 52 -8.503 10.575 -3.466 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.330 13.064 -2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.294 10.595 -0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.844 12.134 -0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.786 13.163 -1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.296 11.520 -1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.347 10.053 0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.119 10.809 1.571 1.00 0.00 H new ATOM 797 N LEU A 53 -5.813 10.205 -2.777 1.00 0.00 N ATOM 798 CA LEU A 53 -4.541 9.502 -2.737 1.00 0.00 C ATOM 799 C LEU A 53 -3.605 10.237 -3.686 1.00 0.00 C ATOM 800 O LEU A 53 -4.028 11.104 -4.450 1.00 0.00 O ATOM 801 CB LEU A 53 -4.751 8.029 -3.149 1.00 0.00 C ATOM 802 CG LEU A 53 -5.465 7.063 -2.169 1.00 0.00 C ATOM 803 CD1 LEU A 53 -4.496 6.009 -1.629 1.00 0.00 C ATOM 804 CD2 LEU A 53 -6.099 7.685 -0.928 1.00 0.00 C ATOM 0 H LEU A 53 -6.504 9.743 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.109 9.489 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.316 8.027 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.770 7.607 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.261 6.662 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.025 5.346 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.092 5.428 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.681 6.502 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.565 6.904 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.331 8.186 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.855 8.410 -1.230 1.00 0.00 H new ATOM 816 N GLU A 54 -2.324 9.894 -3.593 1.00 0.00 N ATOM 817 CA GLU A 54 -1.263 10.461 -4.404 1.00 0.00 C ATOM 818 C GLU A 54 -1.410 9.869 -5.797 1.00 0.00 C ATOM 819 O GLU A 54 -2.316 10.240 -6.550 1.00 0.00 O ATOM 820 CB GLU A 54 0.080 10.224 -3.680 1.00 0.00 C ATOM 821 CG GLU A 54 0.043 10.908 -2.300 1.00 0.00 C ATOM 822 CD GLU A 54 1.374 11.499 -1.835 1.00 0.00 C ATOM 823 OE1 GLU A 54 2.428 10.858 -2.011 1.00 0.00 O ATOM 824 OE2 GLU A 54 1.315 12.582 -1.202 1.00 0.00 O ATOM 0 H GLU A 54 -1.991 9.193 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.311 11.542 -4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.260 9.155 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.902 10.623 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.701 11.704 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.293 10.181 -1.560 1.00 0.00 H new ATOM 831 N GLN A 55 -0.598 8.883 -6.131 1.00 0.00 N ATOM 832 CA GLN A 55 -0.517 8.381 -7.486 1.00 0.00 C ATOM 833 C GLN A 55 -0.104 6.920 -7.525 1.00 0.00 C ATOM 834 O GLN A 55 -0.927 6.145 -7.989 1.00 0.00 O ATOM 835 CB GLN A 55 0.382 9.288 -8.332 1.00 0.00 C ATOM 836 CG GLN A 55 -0.433 10.378 -9.059 1.00 0.00 C ATOM 837 CD GLN A 55 0.148 10.792 -10.404 1.00 0.00 C ATOM 838 OE1 GLN A 55 0.353 11.968 -10.698 1.00 0.00 O ATOM 839 NE2 GLN A 55 0.310 9.838 -11.297 1.00 0.00 N ATOM 0 H GLN A 55 0.021 8.411 -5.472 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.512 8.410 -7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.130 9.758 -7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.921 8.686 -9.064 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.450 10.017 -9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.499 11.257 -8.417 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.137 8.866 -11.042 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.609 10.071 -12.244 1.00 0.00 H new ATOM 848 N PRO A 56 1.095 6.491 -7.087 1.00 0.00 N ATOM 849 CA PRO A 56 1.440 5.079 -7.128 1.00 0.00 C ATOM 850 C PRO A 56 0.668 4.314 -6.056 1.00 0.00 C ATOM 851 O PRO A 56 1.154 4.061 -4.952 1.00 0.00 O ATOM 852 CB PRO A 56 2.952 5.021 -7.027 1.00 0.00 C ATOM 853 CG PRO A 56 3.312 6.261 -6.219 1.00 0.00 C ATOM 854 CD PRO A 56 2.238 7.275 -6.625 1.00 0.00 C ATOM 0 HA PRO A 56 1.146 4.579 -8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.285 4.110 -6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.419 5.036 -8.012 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.292 6.062 -5.148 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.313 6.619 -6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.961 7.908 -5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.602 7.934 -7.413 1.00 0.00 H new ATOM 862 N TYR A 57 -0.544 3.910 -6.426 1.00 0.00 N ATOM 863 CA TYR A 57 -1.482 3.231 -5.552 1.00 0.00 C ATOM 864 C TYR A 57 -1.022 1.779 -5.479 1.00 0.00 C ATOM 865 O TYR A 57 -1.274 0.985 -6.390 1.00 0.00 O ATOM 866 CB TYR A 57 -2.920 3.325 -6.102 1.00 0.00 C ATOM 867 CG TYR A 57 -3.373 4.702 -6.547 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.250 5.804 -5.680 1.00 0.00 C ATOM 869 CD2 TYR A 57 -3.858 4.889 -7.858 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.563 7.092 -6.142 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.180 6.179 -8.317 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.017 7.287 -7.461 1.00 0.00 C ATOM 873 OH TYR A 57 -4.266 8.550 -7.898 1.00 0.00 O ATOM 0 H TYR A 57 -0.906 4.052 -7.369 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.499 3.690 -4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.009 2.644 -6.948 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.606 2.970 -5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.916 5.659 -4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.983 4.039 -8.512 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.455 7.940 -5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.551 6.320 -9.322 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.637 9.172 -7.476 1.00 0.00 H new ATOM 883 N VAL A 58 -0.278 1.444 -4.424 1.00 0.00 N ATOM 884 CA VAL A 58 0.197 0.088 -4.202 1.00 0.00 C ATOM 885 C VAL A 58 -1.004 -0.756 -3.779 1.00 0.00 C ATOM 886 O VAL A 58 -1.386 -0.772 -2.613 1.00 0.00 O ATOM 887 CB VAL A 58 1.367 0.031 -3.204 1.00 0.00 C ATOM 888 CG1 VAL A 58 2.041 -1.348 -3.268 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.436 1.077 -3.532 1.00 0.00 C ATOM 0 H VAL A 58 0.009 2.107 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 58 0.617 -0.320 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 58 0.955 0.225 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.868 -1.382 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.315 -2.120 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.419 -1.522 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.247 1.008 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.828 0.896 -4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.995 2.073 -3.490 1.00 0.00 H new ATOM 899 N PHE A 59 -1.662 -1.392 -4.738 1.00 0.00 N ATOM 900 CA PHE A 59 -2.822 -2.235 -4.530 1.00 0.00 C ATOM 901 C PHE A 59 -2.456 -3.618 -4.045 1.00 0.00 C ATOM 902 O PHE A 59 -1.317 -4.073 -4.149 1.00 0.00 O ATOM 903 CB PHE A 59 -3.574 -2.369 -5.857 1.00 0.00 C ATOM 904 CG PHE A 59 -4.190 -1.120 -6.439 1.00 0.00 C ATOM 905 CD1 PHE A 59 -5.009 -0.304 -5.644 1.00 0.00 C ATOM 906 CD2 PHE A 59 -3.982 -0.804 -7.792 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.585 0.857 -6.186 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.587 0.349 -8.338 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.376 1.185 -7.532 1.00 0.00 C ATOM 0 H PHE A 59 -1.389 -1.330 -5.719 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.437 -1.766 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.884 -2.779 -6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.368 -3.103 -5.721 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.197 -0.569 -4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.364 -1.438 -8.410 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.191 1.499 -5.563 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.442 0.589 -9.381 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.820 2.077 -7.948 1.00 0.00 H new ATOM 919 N ILE A 60 -3.506 -4.305 -3.608 1.00 0.00 N ATOM 920 CA ILE A 60 -3.509 -5.726 -3.381 1.00 0.00 C ATOM 921 C ILE A 60 -4.611 -6.331 -4.236 1.00 0.00 C ATOM 922 O ILE A 60 -5.770 -5.929 -4.125 1.00 0.00 O ATOM 923 CB ILE A 60 -3.634 -6.032 -1.881 1.00 0.00 C ATOM 924 CG1 ILE A 60 -4.963 -5.614 -1.238 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.472 -5.401 -1.140 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.084 -5.980 0.235 1.00 0.00 C ATOM 0 H ILE A 60 -4.402 -3.864 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.566 -6.184 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.612 -7.119 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.082 -4.536 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.782 -6.081 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.559 -5.617 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.535 -5.809 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.485 -4.322 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.051 -5.650 0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.999 -7.061 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.288 -5.492 0.798 1.00 0.00 H new ATOM 938 N LYS A 61 -4.277 -7.291 -5.095 1.00 0.00 N ATOM 939 CA LYS A 61 -5.282 -8.059 -5.829 1.00 0.00 C ATOM 940 C LYS A 61 -5.205 -9.512 -5.415 1.00 0.00 C ATOM 941 O LYS A 61 -4.111 -10.013 -5.175 1.00 0.00 O ATOM 942 CB LYS A 61 -5.174 -7.888 -7.347 1.00 0.00 C ATOM 943 CG LYS A 61 -3.792 -7.751 -7.974 1.00 0.00 C ATOM 944 CD LYS A 61 -3.827 -8.135 -9.471 1.00 0.00 C ATOM 945 CE LYS A 61 -4.766 -7.220 -10.239 1.00 0.00 C ATOM 946 NZ LYS A 61 -5.146 -7.802 -11.555 1.00 0.00 N ATOM 0 H LYS A 61 -3.314 -7.557 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.264 -7.666 -5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.664 -8.744 -7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.750 -7.004 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.439 -6.726 -7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.084 -8.390 -7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.824 -8.070 -9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.151 -9.170 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.664 -7.040 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.287 -6.253 -10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.877 -7.210 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.310 -7.840 -12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.517 -8.763 -11.415 1.00 0.00 H new ATOM 960 N ARG A 62 -6.354 -10.190 -5.337 1.00 0.00 N ATOM 961 CA ARG A 62 -6.521 -11.557 -4.814 1.00 0.00 C ATOM 962 C ARG A 62 -6.037 -12.674 -5.752 1.00 0.00 C ATOM 963 O ARG A 62 -6.710 -13.690 -5.955 1.00 0.00 O ATOM 964 CB ARG A 62 -7.963 -11.759 -4.342 1.00 0.00 C ATOM 965 CG ARG A 62 -8.951 -11.493 -5.482 1.00 0.00 C ATOM 966 CD ARG A 62 -10.207 -12.343 -5.367 1.00 0.00 C ATOM 967 NE ARG A 62 -11.130 -12.109 -6.485 1.00 0.00 N ATOM 968 CZ ARG A 62 -12.439 -12.379 -6.463 1.00 0.00 C ATOM 969 NH1 ARG A 62 -12.988 -12.984 -5.415 1.00 0.00 N ATOM 970 NH2 ARG A 62 -13.194 -12.033 -7.488 1.00 0.00 N ATOM 0 H ARG A 62 -7.236 -9.785 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.852 -11.647 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.091 -12.777 -3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.174 -11.090 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.227 -10.439 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.464 -11.695 -6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.931 -13.397 -5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.711 -12.120 -4.427 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.744 -11.711 -7.341 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.410 -13.247 -4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.988 -13.185 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.778 -11.562 -8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.193 -12.236 -7.477 1.00 0.00 H new ATOM 984 N SER A 63 -4.842 -12.470 -6.288 1.00 0.00 N ATOM 985 CA SER A 63 -4.229 -13.185 -7.387 1.00 0.00 C ATOM 986 C SER A 63 -5.143 -13.174 -8.622 1.00 0.00 C ATOM 987 O SER A 63 -6.290 -12.715 -8.619 1.00 0.00 O ATOM 988 CB SER A 63 -3.790 -14.580 -6.904 1.00 0.00 C ATOM 989 OG SER A 63 -2.853 -15.205 -7.772 1.00 0.00 O ATOM 0 H SER A 63 -4.229 -11.737 -5.931 1.00 0.00 H new ATOM 0 HA SER A 63 -3.320 -12.684 -7.720 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.352 -14.492 -5.910 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.669 -15.218 -6.809 1.00 0.00 H new ATOM 0 HG SER A 63 -2.611 -16.084 -7.413 1.00 0.00 H new ATOM 1116 N LYS A 73 -7.891 -16.382 0.345 1.00 0.00 N ATOM 1117 CA LYS A 73 -7.512 -15.268 -0.512 1.00 0.00 C ATOM 1118 C LYS A 73 -6.017 -14.981 -0.370 1.00 0.00 C ATOM 1119 O LYS A 73 -5.599 -14.263 0.547 1.00 0.00 O ATOM 1120 CB LYS A 73 -8.380 -14.026 -0.213 1.00 0.00 C ATOM 1121 CG LYS A 73 -9.859 -14.203 -0.600 1.00 0.00 C ATOM 1122 CD LYS A 73 -10.805 -14.757 0.485 1.00 0.00 C ATOM 1123 CE LYS A 73 -11.192 -13.732 1.568 1.00 0.00 C ATOM 1124 NZ LYS A 73 -12.625 -13.352 1.513 1.00 0.00 N ATOM 0 HA LYS A 73 -7.697 -15.537 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.316 -13.795 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.972 -13.170 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.243 -13.235 -0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.906 -14.868 -1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.713 -15.124 0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.329 -15.613 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.968 -14.147 2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.579 -12.838 1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.830 -12.661 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.837 -12.930 0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.214 -14.198 1.651 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.225 -15.570 -1.258 1.00 0.00 N ATOM 1139 CA VAL A 74 -3.880 -15.124 -1.586 1.00 0.00 C ATOM 1140 C VAL A 74 -4.049 -13.799 -2.302 1.00 0.00 C ATOM 1141 O VAL A 74 -4.917 -13.684 -3.165 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.138 -16.160 -2.455 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -1.716 -15.683 -2.777 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.050 -17.509 -1.733 1.00 0.00 C ATOM 0 H VAL A 74 -5.511 -16.396 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.267 -15.009 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.703 -16.275 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.212 -16.430 -3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.763 -14.739 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.161 -15.541 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.523 -18.225 -2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.509 -17.385 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.055 -17.878 -1.527 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.231 -12.811 -1.954 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.111 -11.581 -2.711 1.00 0.00 C ATOM 1156 C VAL A 75 -1.635 -11.381 -3.037 1.00 0.00 C ATOM 1157 O VAL A 75 -0.778 -12.178 -2.640 1.00 0.00 O ATOM 1158 CB VAL A 75 -3.774 -10.388 -1.980 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.289 -10.571 -1.780 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.126 -10.085 -0.629 1.00 0.00 C ATOM 0 H VAL A 75 -2.630 -12.847 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.661 -11.645 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.612 -9.540 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.695 -9.702 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.774 -10.675 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.472 -11.466 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.633 -9.240 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.208 -10.958 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.074 -9.841 -0.777 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.335 -10.327 -3.778 1.00 0.00 N ATOM 1171 CA GLU A 76 0.018 -9.888 -4.059 1.00 0.00 C ATOM 1172 C GLU A 76 -0.025 -8.366 -4.056 1.00 0.00 C ATOM 1173 O GLU A 76 -1.088 -7.779 -4.282 1.00 0.00 O ATOM 1174 CB GLU A 76 0.443 -10.336 -5.471 1.00 0.00 C ATOM 1175 CG GLU A 76 1.215 -11.652 -5.586 1.00 0.00 C ATOM 1176 CD GLU A 76 2.713 -11.482 -5.313 1.00 0.00 C ATOM 1177 OE1 GLU A 76 3.082 -10.878 -4.278 1.00 0.00 O ATOM 1178 OE2 GLU A 76 3.514 -12.012 -6.121 1.00 0.00 O ATOM 0 H GLU A 76 -2.047 -9.739 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 76 0.714 -10.300 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.455 -10.417 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.056 -9.546 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.801 -12.374 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.076 -12.064 -6.585 1.00 0.00 H new ATOM 1185 N LEU A 77 1.147 -7.758 -3.892 1.00 0.00 N ATOM 1186 CA LEU A 77 1.382 -6.337 -4.121 1.00 0.00 C ATOM 1187 C LEU A 77 1.316 -6.081 -5.630 1.00 0.00 C ATOM 1188 O LEU A 77 1.910 -6.827 -6.411 1.00 0.00 O ATOM 1189 CB LEU A 77 2.757 -5.956 -3.549 1.00 0.00 C ATOM 1190 CG LEU A 77 2.750 -5.952 -2.006 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.141 -6.161 -1.425 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.255 -4.616 -1.462 1.00 0.00 C ATOM 0 H LEU A 77 1.983 -8.256 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 77 0.629 -5.726 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.508 -6.659 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.043 -4.970 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 77 2.090 -6.770 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.086 -6.151 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.534 -7.121 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.800 -5.361 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.261 -4.642 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.910 -3.817 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.240 -4.433 -1.815 1.00 0.00 H new ATOM 1204 N VAL A 78 0.616 -5.024 -6.033 1.00 0.00 N ATOM 1205 CA VAL A 78 0.635 -4.420 -7.367 1.00 0.00 C ATOM 1206 C VAL A 78 0.842 -2.926 -7.128 1.00 0.00 C ATOM 1207 O VAL A 78 0.656 -2.455 -6.009 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.674 -4.743 -8.145 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.761 -4.326 -9.615 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -0.914 -6.241 -8.145 1.00 0.00 C ATOM 0 H VAL A 78 -0.018 -4.535 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 78 1.431 -4.817 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.409 -4.147 -7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.730 -4.618 -10.019 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.646 -3.245 -9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.031 -4.817 -10.180 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.831 -6.463 -8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.075 -6.744 -8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.008 -6.594 -7.118 1.00 0.00 H new ATOM 1220 N ALA A 79 1.189 -2.162 -8.153 1.00 0.00 N ATOM 1221 CA ALA A 79 1.181 -0.705 -8.108 1.00 0.00 C ATOM 1222 C ALA A 79 0.652 -0.199 -9.442 1.00 0.00 C ATOM 1223 O ALA A 79 0.796 -0.853 -10.482 1.00 0.00 O ATOM 1224 CB ALA A 79 2.573 -0.147 -7.786 1.00 0.00 C ATOM 0 H ALA A 79 1.488 -2.540 -9.052 1.00 0.00 H new ATOM 0 HA ALA A 79 0.531 -0.356 -7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.531 0.942 -7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.899 -0.521 -6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.279 -0.465 -8.553 1.00 0.00 H new ATOM 1230 N GLU A 80 0.016 0.962 -9.408 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.635 1.586 -10.538 1.00 0.00 C ATOM 1232 C GLU A 80 -0.548 3.071 -10.268 1.00 0.00 C ATOM 1233 O GLU A 80 -1.069 3.511 -9.249 1.00 0.00 O ATOM 1234 CB GLU A 80 -2.090 1.112 -10.609 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.383 0.440 -11.947 1.00 0.00 C ATOM 1236 CD GLU A 80 -2.100 1.344 -13.139 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -2.367 2.560 -13.064 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -1.592 0.815 -14.150 1.00 0.00 O ATOM 0 H GLU A 80 -0.061 1.514 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.173 1.334 -11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.288 0.413 -9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.760 1.961 -10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.781 -0.465 -12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.428 0.131 -11.972 1.00 0.00 H new ATOM 1245 N MET A 81 0.171 3.809 -11.111 1.00 0.00 N ATOM 1246 CA MET A 81 0.443 5.214 -10.850 1.00 0.00 C ATOM 1247 C MET A 81 -0.705 6.135 -11.253 1.00 0.00 C ATOM 1248 O MET A 81 -0.688 7.304 -10.877 1.00 0.00 O ATOM 1249 CB MET A 81 1.775 5.634 -11.465 1.00 0.00 C ATOM 1250 CG MET A 81 1.826 5.488 -12.990 1.00 0.00 C ATOM 1251 SD MET A 81 3.108 6.488 -13.786 1.00 0.00 S ATOM 1252 CE MET A 81 2.448 8.146 -13.462 1.00 0.00 C ATOM 0 H MET A 81 0.574 3.455 -11.979 1.00 0.00 H new ATOM 0 HA MET A 81 0.528 5.325 -9.769 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.974 6.673 -11.202 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.572 5.035 -11.025 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.992 4.440 -13.239 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.856 5.764 -13.403 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.822 8.840 -14.215 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.359 8.119 -13.503 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.766 8.477 -12.473 1.00 0.00 H new ATOM 1262 N ASP A 82 -1.695 5.637 -11.993 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.906 6.395 -12.334 1.00 0.00 C ATOM 1264 C ASP A 82 -4.155 5.612 -11.909 1.00 0.00 C ATOM 1265 O ASP A 82 -5.239 6.175 -11.736 1.00 0.00 O ATOM 1266 CB ASP A 82 -2.902 6.704 -13.835 1.00 0.00 C ATOM 1267 CG ASP A 82 -3.740 7.930 -14.241 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -4.970 7.978 -14.023 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -3.176 8.848 -14.883 1.00 0.00 O ATOM 0 H ASP A 82 -1.683 4.692 -12.376 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.921 7.342 -11.794 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.873 6.862 -14.157 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.274 5.832 -14.373 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.014 4.304 -11.686 1.00 0.00 N ATOM 1275 CA GLY A 83 -5.103 3.377 -11.457 1.00 0.00 C ATOM 1276 C GLY A 83 -5.808 3.047 -12.770 1.00 0.00 C ATOM 1277 O GLY A 83 -7.024 2.846 -12.772 1.00 0.00 O ATOM 0 H GLY A 83 -3.100 3.853 -11.661 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.721 2.463 -11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.815 3.809 -10.754 1.00 0.00 H new ATOM 1281 N ILE A 84 -5.046 2.960 -13.871 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.468 2.526 -15.206 1.00 0.00 C ATOM 1283 C ILE A 84 -6.383 1.304 -15.095 1.00 0.00 C ATOM 1284 O ILE A 84 -7.507 1.309 -15.602 1.00 0.00 O ATOM 1285 CB ILE A 84 -4.194 2.241 -16.046 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.594 3.549 -16.597 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -4.421 1.188 -17.144 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -2.117 3.421 -17.005 1.00 0.00 C ATOM 0 H ILE A 84 -4.057 3.207 -13.848 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.046 3.303 -15.707 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.459 1.799 -15.373 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.175 3.870 -17.461 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.688 4.329 -15.842 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.494 1.033 -17.696 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.734 0.249 -16.688 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.196 1.536 -17.827 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.760 4.379 -17.384 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.524 3.130 -16.138 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.019 2.664 -17.783 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.917 0.270 -14.400 1.00 0.00 N ATOM 1301 CA GLN A 85 -6.652 -0.937 -14.065 1.00 0.00 C ATOM 1302 C GLN A 85 -6.628 -1.073 -12.544 1.00 0.00 C ATOM 1303 O GLN A 85 -6.125 -0.202 -11.827 1.00 0.00 O ATOM 1304 CB GLN A 85 -6.010 -2.153 -14.775 1.00 0.00 C ATOM 1305 CG GLN A 85 -6.310 -2.235 -16.279 1.00 0.00 C ATOM 1306 CD GLN A 85 -7.695 -2.801 -16.591 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -8.711 -2.122 -16.466 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -7.793 -4.032 -17.062 1.00 0.00 N ATOM 0 H GLN A 85 -4.964 0.255 -14.038 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.687 -0.889 -14.404 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.930 -2.114 -14.633 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.361 -3.067 -14.296 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.226 -1.239 -16.714 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.555 -2.857 -16.759 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.956 -4.605 -17.170 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.706 -4.409 -17.318 1.00 0.00 H new ATOM 1317 N TYR A 86 -7.166 -2.190 -12.063 1.00 0.00 N ATOM 1318 CA TYR A 86 -7.083 -2.681 -10.696 1.00 0.00 C ATOM 1319 C TYR A 86 -8.001 -1.904 -9.752 1.00 0.00 C ATOM 1320 O TYR A 86 -8.884 -2.530 -9.175 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.630 -2.734 -10.182 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.587 -3.314 -11.126 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.817 -4.528 -11.789 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.363 -2.654 -11.318 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -3.805 -5.105 -12.579 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.389 -3.162 -12.200 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.600 -4.410 -12.817 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.671 -4.969 -13.640 1.00 0.00 O ATOM 0 H TYR A 86 -7.707 -2.816 -12.660 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.444 -3.709 -10.710 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.325 -1.721 -9.921 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.617 -3.318 -9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.773 -5.021 -11.693 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.164 -1.739 -10.779 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.952 -6.086 -13.006 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.489 -2.600 -12.401 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.895 -4.375 -13.709 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.803 -0.596 -9.564 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.469 0.197 -8.533 1.00 0.00 C ATOM 1340 C GLY A 87 -9.983 0.016 -8.548 1.00 0.00 C ATOM 1341 O GLY A 87 -10.551 -0.574 -7.626 1.00 0.00 O ATOM 0 H GLY A 87 -7.161 -0.050 -10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.082 -0.086 -7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.230 1.251 -8.678 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.635 0.489 -9.614 1.00 0.00 N ATOM 1346 CA ARG A 88 -12.090 0.466 -9.747 1.00 0.00 C ATOM 1347 C ARG A 88 -12.566 -0.921 -10.191 1.00 0.00 C ATOM 1348 O ARG A 88 -13.080 -1.087 -11.302 1.00 0.00 O ATOM 1349 CB ARG A 88 -12.554 1.620 -10.646 1.00 0.00 C ATOM 1350 CG ARG A 88 -13.955 2.056 -10.187 1.00 0.00 C ATOM 1351 CD ARG A 88 -14.876 2.394 -11.344 1.00 0.00 C ATOM 1352 NE ARG A 88 -14.474 3.604 -12.080 1.00 0.00 N ATOM 1353 CZ ARG A 88 -15.232 4.271 -12.956 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -16.477 3.870 -13.217 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -14.738 5.340 -13.566 1.00 0.00 N ATOM 0 H ARG A 88 -10.160 0.903 -10.416 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.562 0.636 -8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.856 2.455 -10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.577 1.303 -11.689 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.402 1.258 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.864 2.925 -9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.904 1.551 -12.034 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.889 2.529 -10.964 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.536 3.965 -11.906 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.857 3.049 -12.747 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.049 4.385 -13.887 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.786 5.647 -13.365 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.310 5.855 -14.236 1.00 0.00 H new ATOM 1369 N SER A 89 -12.361 -1.929 -9.354 1.00 0.00 N ATOM 1370 CA SER A 89 -12.607 -3.335 -9.635 1.00 0.00 C ATOM 1371 C SER A 89 -12.993 -4.047 -8.334 1.00 0.00 C ATOM 1372 O SER A 89 -13.097 -3.403 -7.287 1.00 0.00 O ATOM 1373 CB SER A 89 -11.333 -3.918 -10.264 1.00 0.00 C ATOM 1374 OG SER A 89 -11.636 -4.829 -11.290 1.00 0.00 O ATOM 0 H SER A 89 -12.000 -1.779 -8.412 1.00 0.00 H new ATOM 0 HA SER A 89 -13.432 -3.470 -10.334 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.720 -3.110 -10.663 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.742 -4.417 -9.496 1.00 0.00 H new ATOM 0 HG SER A 89 -10.805 -5.181 -11.671 1.00 0.00 H new ATOM 1380 N GLY A 90 -13.217 -5.361 -8.391 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.521 -6.195 -7.233 1.00 0.00 C ATOM 1382 C GLY A 90 -12.351 -7.095 -6.849 1.00 0.00 C ATOM 1383 O GLY A 90 -12.171 -7.399 -5.672 1.00 0.00 O ATOM 0 H GLY A 90 -13.191 -5.885 -9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.781 -5.559 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.395 -6.810 -7.449 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.508 -7.479 -7.813 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.270 -8.228 -7.588 1.00 0.00 C ATOM 1389 C ILE A 91 -9.360 -7.519 -6.584 1.00 0.00 C ATOM 1390 O ILE A 91 -8.588 -8.171 -5.876 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.568 -8.492 -8.943 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.189 -9.145 -8.789 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -9.447 -7.244 -9.850 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.656 -9.843 -10.048 1.00 0.00 C ATOM 0 H ILE A 91 -11.674 -7.271 -8.798 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.513 -9.192 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.237 -9.195 -9.440 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.474 -8.380 -8.486 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.238 -9.875 -7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.944 -7.516 -10.778 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -10.442 -6.860 -10.076 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.870 -6.475 -9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.677 -10.273 -9.839 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.344 -10.635 -10.344 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.568 -9.117 -10.857 1.00 0.00 H new ATOM 1406 N THR A 92 -9.442 -6.195 -6.515 1.00 0.00 N ATOM 1407 CA THR A 92 -8.516 -5.406 -5.742 1.00 0.00 C ATOM 1408 C THR A 92 -9.130 -5.104 -4.375 1.00 0.00 C ATOM 1409 O THR A 92 -10.203 -4.502 -4.274 1.00 0.00 O ATOM 1410 CB THR A 92 -8.160 -4.146 -6.516 1.00 0.00 C ATOM 1411 OG1 THR A 92 -7.835 -4.507 -7.843 1.00 0.00 O ATOM 1412 CG2 THR A 92 -6.953 -3.464 -5.889 1.00 0.00 C ATOM 0 H THR A 92 -10.155 -5.647 -6.996 1.00 0.00 H new ATOM 0 HA THR A 92 -7.589 -5.953 -5.569 1.00 0.00 H new ATOM 0 HB THR A 92 -9.009 -3.462 -6.497 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.469 -4.086 -8.461 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.710 -2.564 -6.453 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.182 -3.195 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.101 -4.144 -5.906 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.487 -5.563 -3.304 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.097 -5.552 -1.977 1.00 0.00 C ATOM 1422 C LEU A 93 -8.843 -4.227 -1.243 1.00 0.00 C ATOM 1423 O LEU A 93 -9.660 -3.821 -0.414 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.629 -6.746 -1.148 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.602 -8.111 -1.857 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.116 -9.121 -0.826 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -9.972 -8.531 -2.406 1.00 0.00 C ATOM 0 H LEU A 93 -7.543 -5.948 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.175 -5.641 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.625 -6.533 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.276 -6.829 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.944 -8.056 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.078 -10.112 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.120 -8.840 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.802 -9.135 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.886 -9.502 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.687 -8.599 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.317 -7.791 -3.128 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.751 -3.524 -1.552 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.447 -2.191 -1.050 1.00 0.00 C ATOM 1441 C GLY A 94 -6.124 -1.702 -1.636 1.00 0.00 C ATOM 1442 O GLY A 94 -5.576 -2.334 -2.547 1.00 0.00 O ATOM 0 H GLY A 94 -7.032 -3.883 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.249 -1.502 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.388 -2.208 0.038 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.631 -0.588 -1.108 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.304 -0.019 -1.329 1.00 0.00 C ATOM 1448 C VAL A 95 -3.534 -0.163 -0.006 1.00 0.00 C ATOM 1449 O VAL A 95 -4.158 -0.188 1.050 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.465 1.464 -1.749 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.130 2.193 -1.925 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.234 1.679 -3.046 1.00 0.00 C ATOM 0 H VAL A 95 -6.185 -0.018 -0.469 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.756 -0.527 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.031 1.873 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.316 3.226 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.580 2.177 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.543 1.696 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.296 2.746 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.718 1.175 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.239 1.270 -2.945 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.204 -0.260 -0.015 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.364 -0.236 1.181 1.00 0.00 C ATOM 1464 C LEU A 96 -0.996 1.205 1.500 1.00 0.00 C ATOM 1465 O LEU A 96 -0.752 2.008 0.599 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.043 -0.986 0.951 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.059 -2.515 0.902 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -0.963 -3.185 1.938 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -0.448 -2.964 -0.491 1.00 0.00 C ATOM 0 H LEU A 96 -1.668 -0.360 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.925 -0.707 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.378 -0.631 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.646 -0.689 1.741 1.00 0.00 H new ATOM 0 HG LEU A 96 0.952 -2.835 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.907 -4.268 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.635 -2.908 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.992 -2.857 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.461 -4.053 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.439 -2.580 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.275 -2.583 -1.212 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.849 1.506 2.783 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.400 2.795 3.300 1.00 0.00 C ATOM 1483 C VAL A 97 0.432 2.531 4.551 1.00 0.00 C ATOM 1484 O VAL A 97 0.214 1.496 5.171 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.609 3.675 3.649 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.313 4.166 2.374 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.611 2.961 4.588 1.00 0.00 C ATOM 0 H VAL A 97 -1.047 0.833 3.523 1.00 0.00 H new ATOM 0 HA VAL A 97 0.194 3.317 2.550 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.225 4.538 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.166 4.787 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.615 4.750 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.658 3.309 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.446 3.627 4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.983 2.058 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.111 2.695 5.519 1.00 0.00 H new ATOM 1497 N PRO A 98 1.354 3.406 4.961 1.00 0.00 N ATOM 1498 CA PRO A 98 2.101 3.198 6.187 1.00 0.00 C ATOM 1499 C PRO A 98 1.159 3.162 7.386 1.00 0.00 C ATOM 1500 O PRO A 98 0.195 3.926 7.455 1.00 0.00 O ATOM 1501 CB PRO A 98 3.116 4.335 6.284 1.00 0.00 C ATOM 1502 CG PRO A 98 2.998 5.127 4.975 1.00 0.00 C ATOM 1503 CD PRO A 98 1.747 4.610 4.274 1.00 0.00 C ATOM 0 HA PRO A 98 2.620 2.239 6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.907 4.971 7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.126 3.945 6.414 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.919 6.196 5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.881 4.982 4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.950 5.353 4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 98 1.949 4.407 3.222 1.00 0.00 H new ATOM 1511 N HIS A 99 1.455 2.295 8.353 1.00 0.00 N ATOM 1512 CA HIS A 99 0.905 2.439 9.683 1.00 0.00 C ATOM 1513 C HIS A 99 1.850 3.380 10.427 1.00 0.00 C ATOM 1514 O HIS A 99 3.044 3.104 10.553 1.00 0.00 O ATOM 1515 CB HIS A 99 0.764 1.092 10.400 1.00 0.00 C ATOM 1516 CG HIS A 99 0.517 1.301 11.875 1.00 0.00 C ATOM 1517 ND1 HIS A 99 1.417 0.965 12.854 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.460 2.072 12.463 1.00 0.00 C ATOM 1519 CE1 HIS A 99 1.006 1.497 14.007 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.152 2.164 13.827 1.00 0.00 N ATOM 0 H HIS A 99 2.071 1.491 8.233 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.107 2.843 9.643 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.059 0.526 9.964 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.669 0.501 10.257 1.00 0.00 H new ATOM 0 HD1 HIS A 99 2.258 0.403 12.723 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.306 2.522 11.966 1.00 0.00 H new ATOM 0 HE1 HIS A 99 1.526 1.406 14.949 1.00 0.00 H new ATOM 1528 N VAL A 100 1.312 4.495 10.912 1.00 0.00 N ATOM 1529 CA VAL A 100 2.050 5.489 11.678 1.00 0.00 C ATOM 1530 C VAL A 100 1.135 6.024 12.792 1.00 0.00 C ATOM 1531 O VAL A 100 0.940 7.222 12.972 1.00 0.00 O ATOM 1532 CB VAL A 100 2.701 6.493 10.690 1.00 0.00 C ATOM 1533 CG1 VAL A 100 1.731 7.112 9.675 1.00 0.00 C ATOM 1534 CG2 VAL A 100 3.505 7.597 11.385 1.00 0.00 C ATOM 0 H VAL A 100 0.330 4.736 10.780 1.00 0.00 H new ATOM 0 HA VAL A 100 2.906 5.098 12.228 1.00 0.00 H new ATOM 0 HB VAL A 100 3.393 5.867 10.127 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.273 7.800 9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.282 6.322 9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.947 7.654 10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.932 8.263 10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.848 8.166 12.044 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.307 7.149 11.971 1.00 0.00 H new ATOM 1544 N GLY A 101 0.532 5.114 13.562 1.00 0.00 N ATOM 1545 CA GLY A 101 -0.161 5.443 14.805 1.00 0.00 C ATOM 1546 C GLY A 101 -1.525 6.111 14.634 1.00 0.00 C ATOM 1547 O GLY A 101 -2.132 6.516 15.625 1.00 0.00 O ATOM 0 H GLY A 101 0.513 4.120 13.336 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.293 4.528 15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.477 6.102 15.394 1.00 0.00 H new ATOM 1551 N GLU A 102 -2.024 6.199 13.403 1.00 0.00 N ATOM 1552 CA GLU A 102 -3.131 7.046 12.960 1.00 0.00 C ATOM 1553 C GLU A 102 -4.517 6.657 13.541 1.00 0.00 C ATOM 1554 O GLU A 102 -5.514 7.324 13.263 1.00 0.00 O ATOM 1555 CB GLU A 102 -3.157 6.976 11.423 1.00 0.00 C ATOM 1556 CG GLU A 102 -1.862 7.323 10.684 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.421 8.788 10.744 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -1.351 9.378 11.846 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -1.000 9.343 9.703 1.00 0.00 O ATOM 0 H GLU A 102 -1.641 5.644 12.638 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.955 8.056 13.331 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.449 5.966 11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.939 7.647 11.068 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.060 6.707 11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.979 7.043 9.637 1.00 0.00 H new ATOM 1566 N THR A 103 -4.582 5.581 14.333 1.00 0.00 N ATOM 1567 CA THR A 103 -5.746 5.004 15.025 1.00 0.00 C ATOM 1568 C THR A 103 -6.713 4.277 14.058 1.00 0.00 C ATOM 1569 O THR A 103 -7.496 4.916 13.349 1.00 0.00 O ATOM 1570 CB THR A 103 -6.395 6.025 15.993 1.00 0.00 C ATOM 1571 OG1 THR A 103 -5.773 5.912 17.269 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.906 5.876 16.221 1.00 0.00 C ATOM 0 H THR A 103 -3.740 5.038 14.526 1.00 0.00 H new ATOM 0 HA THR A 103 -5.397 4.201 15.674 1.00 0.00 H new ATOM 0 HB THR A 103 -6.247 6.990 15.508 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.176 6.556 17.888 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.247 6.644 16.915 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.430 5.987 15.272 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.116 4.891 16.638 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.666 2.931 14.000 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.513 2.151 13.110 1.00 0.00 C ATOM 1582 C PRO A 104 -8.951 2.001 13.594 1.00 0.00 C ATOM 1583 O PRO A 104 -9.316 2.332 14.728 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.816 0.795 12.980 1.00 0.00 C ATOM 1585 CG PRO A 104 -6.067 0.624 14.293 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.736 2.057 14.706 1.00 0.00 C ATOM 0 HA PRO A 104 -7.620 2.660 12.152 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.536 -0.008 12.827 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.135 0.779 12.129 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.680 0.122 15.042 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -5.165 0.025 14.165 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.835 2.180 15.785 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.706 2.304 14.450 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.752 1.425 12.704 1.00 0.00 N ATOM 1595 CA ILE A 105 -11.147 1.071 12.898 1.00 0.00 C ATOM 1596 C ILE A 105 -11.352 -0.448 12.799 1.00 0.00 C ATOM 1597 O ILE A 105 -12.357 -0.950 13.307 1.00 0.00 O ATOM 1598 CB ILE A 105 -12.029 1.855 11.901 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.592 1.676 10.423 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -12.113 3.334 12.334 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.672 2.773 9.869 1.00 0.00 C ATOM 0 H ILE A 105 -9.420 1.179 11.771 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.453 1.355 13.905 1.00 0.00 H new ATOM 0 HB ILE A 105 -13.033 1.433 11.935 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.084 0.717 10.326 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.486 1.627 9.801 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.736 3.885 11.629 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.550 3.397 13.330 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.112 3.766 12.349 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.427 2.552 8.830 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -11.179 3.736 9.925 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.756 2.811 10.458 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.419 -1.196 12.202 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.451 -2.650 12.109 1.00 0.00 C ATOM 1615 C ALA A 106 -9.065 -3.168 11.740 1.00 0.00 C ATOM 1616 O ALA A 106 -8.105 -2.398 11.697 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.501 -3.084 11.063 1.00 0.00 C ATOM 0 H ALA A 106 -9.596 -0.788 11.757 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.734 -3.075 13.072 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.521 -4.172 10.997 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.484 -2.720 11.362 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.240 -2.666 10.091 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.965 -4.470 11.479 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.832 -5.127 10.851 1.00 0.00 C ATOM 1625 C TYR A 107 -8.345 -5.946 9.670 1.00 0.00 C ATOM 1626 O TYR A 107 -9.513 -6.348 9.621 1.00 0.00 O ATOM 1627 CB TYR A 107 -7.081 -6.012 11.857 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.987 -5.295 12.616 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.301 -4.219 13.468 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.645 -5.695 12.444 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.270 -3.504 14.097 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.613 -5.011 13.107 1.00 0.00 C ATOM 1633 CZ TYR A 107 -3.925 -3.906 13.930 1.00 0.00 C ATOM 1634 OH TYR A 107 -2.933 -3.211 14.544 1.00 0.00 O ATOM 0 H TYR A 107 -9.712 -5.124 11.714 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.122 -4.380 10.496 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.797 -6.419 12.571 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.645 -6.858 11.325 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.332 -3.945 13.637 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.411 -6.530 11.800 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.504 -2.646 14.709 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.587 -5.328 12.988 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.067 -3.617 14.328 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.446 -6.204 8.725 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.647 -7.051 7.566 1.00 0.00 C ATOM 1646 C ARG A 108 -6.575 -8.134 7.591 1.00 0.00 C ATOM 1647 O ARG A 108 -5.524 -7.980 8.214 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.596 -6.182 6.302 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.208 -6.831 5.053 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.712 -7.082 5.197 1.00 0.00 C ATOM 1651 NE ARG A 108 -10.326 -7.448 3.911 1.00 0.00 N ATOM 1652 CZ ARG A 108 -10.340 -8.644 3.308 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -9.851 -9.726 3.907 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -10.848 -8.748 2.085 1.00 0.00 N ATOM 0 H ARG A 108 -6.508 -5.803 8.754 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.621 -7.540 7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.117 -5.245 6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.556 -5.931 6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -8.032 -6.188 4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.703 -7.776 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.881 -7.879 5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.195 -6.187 5.590 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.802 -6.694 3.415 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.455 -9.655 4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.872 -10.627 3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.221 -7.923 1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.865 -9.653 1.615 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.825 -9.222 6.880 1.00 0.00 N ATOM 1669 CA ASN A 109 -6.098 -10.468 6.840 1.00 0.00 C ATOM 1670 C ASN A 109 -5.836 -10.807 5.377 1.00 0.00 C ATOM 1671 O ASN A 109 -6.774 -10.838 4.576 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.969 -11.545 7.501 1.00 0.00 C ATOM 1673 CG ASN A 109 -8.324 -11.778 6.817 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -9.077 -10.843 6.526 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -8.683 -13.021 6.555 1.00 0.00 N ATOM 0 H ASN A 109 -7.629 -9.250 6.253 1.00 0.00 H new ATOM 0 HA ASN A 109 -5.148 -10.404 7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.416 -12.484 7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.144 -11.265 8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.582 -13.210 6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.061 -13.793 6.795 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.577 -11.029 5.018 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.111 -11.147 3.644 1.00 0.00 C ATOM 1684 C VAL A 110 -2.954 -12.146 3.619 1.00 0.00 C ATOM 1685 O VAL A 110 -1.992 -11.999 4.370 1.00 0.00 O ATOM 1686 CB VAL A 110 -3.679 -9.760 3.115 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -4.891 -8.927 2.678 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -2.874 -8.898 4.113 1.00 0.00 C ATOM 0 H VAL A 110 -3.827 -11.135 5.701 1.00 0.00 H new ATOM 0 HA VAL A 110 -4.907 -11.508 2.993 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.026 -10.003 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.553 -7.958 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.424 -9.450 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.558 -8.781 3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.619 -7.946 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.475 -8.717 5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.960 -9.422 4.392 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.016 -13.185 2.782 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.882 -14.099 2.637 1.00 0.00 C ATOM 1700 C LEU A 111 -0.864 -13.429 1.701 1.00 0.00 C ATOM 1701 O LEU A 111 -1.225 -12.534 0.932 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.329 -15.424 1.972 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.888 -16.589 2.797 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.901 -17.169 3.801 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -4.194 -16.208 3.485 1.00 0.00 C ATOM 0 H LEU A 111 -3.825 -13.411 2.204 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.462 -14.313 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.088 -15.167 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.469 -15.809 1.424 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.085 -17.382 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.373 -17.988 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.023 -17.542 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.600 -16.393 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.563 -17.057 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.021 -15.364 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.934 -15.931 2.734 1.00 0.00 H new ATOM 1717 N LEU A 112 0.383 -13.889 1.727 1.00 0.00 N ATOM 1718 CA LEU A 112 1.535 -13.380 0.991 1.00 0.00 C ATOM 1719 C LEU A 112 2.328 -14.605 0.532 1.00 0.00 C ATOM 1720 O LEU A 112 2.494 -15.555 1.304 1.00 0.00 O ATOM 1721 CB LEU A 112 2.402 -12.552 1.973 1.00 0.00 C ATOM 1722 CG LEU A 112 3.290 -11.420 1.386 1.00 0.00 C ATOM 1723 CD1 LEU A 112 4.742 -11.596 1.849 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.288 -11.244 -0.142 1.00 0.00 C ATOM 0 H LEU A 112 0.633 -14.689 2.308 1.00 0.00 H new ATOM 0 HA LEU A 112 1.244 -12.758 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.736 -12.105 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.053 -13.243 2.508 1.00 0.00 H new ATOM 0 HG LEU A 112 2.826 -10.514 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.356 -10.798 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.784 -11.556 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.119 -12.560 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.949 -10.421 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.638 -12.162 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.276 -11.024 -0.482 1.00 0.00 H new ATOM 1736 N ARG A 113 2.799 -14.625 -0.712 1.00 0.00 N ATOM 1737 CA ARG A 113 3.696 -15.659 -1.213 1.00 0.00 C ATOM 1738 C ARG A 113 4.961 -15.701 -0.375 1.00 0.00 C ATOM 1739 O ARG A 113 5.521 -14.649 -0.068 1.00 0.00 O ATOM 1740 CB ARG A 113 4.069 -15.381 -2.669 1.00 0.00 C ATOM 1741 CG ARG A 113 2.989 -15.855 -3.646 1.00 0.00 C ATOM 1742 CD ARG A 113 3.363 -15.298 -5.013 1.00 0.00 C ATOM 1743 NE ARG A 113 2.741 -16.029 -6.123 1.00 0.00 N ATOM 1744 CZ ARG A 113 2.598 -15.549 -7.363 1.00 0.00 C ATOM 1745 NH1 ARG A 113 2.814 -14.266 -7.634 1.00 0.00 N ATOM 1746 NH2 ARG A 113 2.227 -16.355 -8.347 1.00 0.00 N ATOM 0 H ARG A 113 2.565 -13.916 -1.407 1.00 0.00 H new ATOM 0 HA ARG A 113 3.183 -16.618 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.232 -14.312 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 113 5.010 -15.879 -2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 113 2.941 -16.944 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.006 -15.499 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 113 3.067 -14.250 -5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 113 4.447 -15.329 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 113 2.393 -16.969 -5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.094 -13.628 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.699 -13.920 -8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.050 -17.342 -8.159 1.00 0.00 H new ATOM 0 HH22 ARG A 113 2.118 -15.989 -9.293 1.00 0.00 H new