USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 609 hydrogens (15 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 NoAdj-H: A 370 M2L HNA : A 370 M2L N : A 369 LEU C :(H bumps) USER MOD Set 1.1: A 116 TYR OH : rot 30:sc= 0.368 USER MOD Set 1.2: A 141 ASN : amide:sc= 1.4 K(o=1.8,f=-7.4!) USER MOD Set 2.1: A 111 ASN : amide:sc= 0.7 X(o=1.1,f=0.71) USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= 0.396 USER MOD Set 3.1: A 103 TYR OH : rot -2:sc= 1.26 USER MOD Set 3.2: A 368 HIS : no HD1:sc= 0.597 K(o=1.9,f=-1!) USER MOD Single : A 84 SER OG : rot 35:sc= 0.0773 USER MOD Single : A 85 SER OG : rot -120:sc= 0.41 USER MOD Single : A 88 GLN : amide:sc= -1.02 K(o=-1,f=-3.2!) USER MOD Single : A 90 ASN : amide:sc= -0.0189 K(o=-0.019,f=-2.4!) USER MOD Single : A 92 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 96 SER OG : rot 30:sc= 0.0525 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 100 SER OG : rot -105:sc= 2.04 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -166:sc= 0.831 (180deg=0.709) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 30:sc= 0 USER MOD Single : A 126 GLN : amide:sc= 0.783 K(o=0.78,f=-0.35) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.812 K(o=0.81,f=-4.5!) USER MOD Single : A 134 LYS NZ :NH3+ 170:sc= 1.12 (180deg=1.02) USER MOD Single : A 137 SER OG : rot 131:sc= 0.0401 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 145 ASN : amide:sc= 1.05 K(o=1.1,f=-11!) USER MOD Single : A 201 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 366 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0.00743 USER MOD Single : A 371 SER OG : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.12) USER MOD Single : A 373 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 84 -0.320 0.343 2.444 1.00 0.00 N ATOM 2 CA SER A 84 0.081 0.400 1.015 1.00 0.00 C ATOM 3 C SER A 84 -0.013 1.836 0.473 1.00 0.00 C ATOM 4 O SER A 84 -1.007 2.531 0.711 1.00 0.00 O ATOM 5 CB SER A 84 -0.761 -0.578 0.169 1.00 0.00 C ATOM 6 OG SER A 84 -0.654 -1.912 0.666 1.00 0.00 O ATOM 0 HA SER A 84 1.123 0.089 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.805 -0.266 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.428 -0.545 -0.868 1.00 0.00 H new ATOM 0 HG SER A 84 -0.575 -1.892 1.643 1.00 0.00 H new ATOM 12 N SER A 85 1.020 2.293 -0.249 1.00 0.00 N ATOM 13 CA SER A 85 1.152 3.671 -0.742 1.00 0.00 C ATOM 14 C SER A 85 1.783 3.679 -2.147 1.00 0.00 C ATOM 15 O SER A 85 2.614 4.531 -2.469 1.00 0.00 O ATOM 16 CB SER A 85 1.975 4.494 0.264 1.00 0.00 C ATOM 17 OG SER A 85 1.491 4.372 1.601 1.00 0.00 O ATOM 0 H SER A 85 1.806 1.699 -0.513 1.00 0.00 H new ATOM 0 HA SER A 85 0.167 4.129 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.015 4.170 0.227 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.957 5.543 -0.030 1.00 0.00 H new ATOM 0 HG SER A 85 1.232 5.255 1.937 1.00 0.00 H new ATOM 23 N GLU A 86 1.419 2.695 -2.971 1.00 0.00 N ATOM 24 CA GLU A 86 1.922 2.509 -4.328 1.00 0.00 C ATOM 25 C GLU A 86 0.684 2.358 -5.213 1.00 0.00 C ATOM 26 O GLU A 86 -0.091 1.414 -5.032 1.00 0.00 O ATOM 27 CB GLU A 86 2.843 1.277 -4.388 1.00 0.00 C ATOM 28 CG GLU A 86 4.142 1.470 -3.592 1.00 0.00 C ATOM 29 CD GLU A 86 5.084 0.261 -3.749 1.00 0.00 C ATOM 30 OE1 GLU A 86 4.961 -0.720 -2.974 1.00 0.00 O ATOM 31 OE2 GLU A 86 5.959 0.275 -4.649 1.00 0.00 O ATOM 0 H GLU A 86 0.742 1.982 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 86 2.527 3.349 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.309 0.410 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.087 1.061 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.648 2.374 -3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.906 1.615 -2.538 1.00 0.00 H new ATOM 38 N PHE A 87 0.471 3.311 -6.124 1.00 0.00 N ATOM 39 CA PHE A 87 -0.759 3.455 -6.897 1.00 0.00 C ATOM 40 C PHE A 87 -0.511 3.036 -8.348 1.00 0.00 C ATOM 41 O PHE A 87 0.429 3.516 -8.978 1.00 0.00 O ATOM 42 CB PHE A 87 -1.221 4.920 -6.817 1.00 0.00 C ATOM 43 CG PHE A 87 -1.198 5.512 -5.414 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.248 5.253 -4.513 1.00 0.00 C ATOM 45 CD2 PHE A 87 -0.122 6.320 -5.007 1.00 0.00 C ATOM 46 CE1 PHE A 87 -2.229 5.810 -3.221 1.00 0.00 C ATOM 47 CE2 PHE A 87 -0.098 6.870 -3.712 1.00 0.00 C ATOM 48 CZ PHE A 87 -1.153 6.627 -2.820 1.00 0.00 C ATOM 0 H PHE A 87 1.169 4.020 -6.348 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.540 2.812 -6.491 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.585 5.524 -7.464 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.235 4.990 -7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.072 4.624 -4.815 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.690 6.519 -5.691 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.040 5.611 -2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.737 7.482 -3.403 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.141 7.063 -1.832 1.00 0.00 H new ATOM 58 N GLN A 88 -1.345 2.134 -8.876 1.00 0.00 N ATOM 59 CA GLN A 88 -1.262 1.585 -10.230 1.00 0.00 C ATOM 60 C GLN A 88 -2.684 1.356 -10.773 1.00 0.00 C ATOM 61 O GLN A 88 -3.667 1.733 -10.130 1.00 0.00 O ATOM 62 CB GLN A 88 -0.466 0.252 -10.237 1.00 0.00 C ATOM 63 CG GLN A 88 1.010 0.285 -9.787 1.00 0.00 C ATOM 64 CD GLN A 88 1.241 0.408 -8.275 1.00 0.00 C ATOM 65 OE1 GLN A 88 2.124 1.138 -7.834 1.00 0.00 O ATOM 66 NE2 GLN A 88 0.474 -0.290 -7.445 1.00 0.00 N ATOM 0 H GLN A 88 -2.129 1.751 -8.347 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.736 2.295 -10.868 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.994 -0.455 -9.597 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.497 -0.150 -11.250 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.498 -0.624 -10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.503 1.123 -10.281 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.259 -0.895 -7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.618 -0.220 -6.438 1.00 0.00 H new ATOM 75 N ILE A 89 -2.809 0.736 -11.957 1.00 0.00 N ATOM 76 CA ILE A 89 -4.094 0.254 -12.475 1.00 0.00 C ATOM 77 C ILE A 89 -4.758 -0.607 -11.384 1.00 0.00 C ATOM 78 O ILE A 89 -4.082 -1.344 -10.662 1.00 0.00 O ATOM 79 CB ILE A 89 -3.916 -0.491 -13.824 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.291 0.454 -14.882 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.257 -1.057 -14.335 1.00 0.00 C ATOM 82 CD1 ILE A 89 -3.017 -0.187 -16.249 1.00 0.00 C ATOM 0 H ILE A 89 -2.021 0.556 -12.580 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.754 1.092 -12.701 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.241 -1.331 -13.657 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.957 1.305 -15.024 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.353 0.846 -14.488 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.097 -1.573 -15.282 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.659 -1.758 -13.603 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.964 -0.241 -14.482 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.581 0.555 -16.918 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.324 -1.019 -16.128 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.952 -0.553 -16.673 1.00 0.00 H new ATOM 94 N ASN A 90 -6.087 -0.515 -11.292 1.00 0.00 N ATOM 95 CA ASN A 90 -6.931 -1.157 -10.285 1.00 0.00 C ATOM 96 C ASN A 90 -6.605 -0.722 -8.847 1.00 0.00 C ATOM 97 O ASN A 90 -6.975 -1.420 -7.900 1.00 0.00 O ATOM 98 CB ASN A 90 -6.999 -2.692 -10.476 1.00 0.00 C ATOM 99 CG ASN A 90 -7.720 -3.104 -11.758 1.00 0.00 C ATOM 100 OD1 ASN A 90 -8.772 -2.565 -12.088 1.00 0.00 O ATOM 101 ND2 ASN A 90 -7.184 -4.058 -12.505 1.00 0.00 N ATOM 0 H ASN A 90 -6.631 0.039 -11.954 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.944 -0.791 -10.453 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -5.987 -3.096 -10.490 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.508 -3.137 -9.621 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.646 -4.352 -13.365 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.309 -4.498 -12.220 1.00 0.00 H new ATOM 108 N GLU A 91 -5.977 0.442 -8.650 1.00 0.00 N ATOM 109 CA GLU A 91 -5.762 1.052 -7.338 1.00 0.00 C ATOM 110 C GLU A 91 -6.220 2.522 -7.392 1.00 0.00 C ATOM 111 O GLU A 91 -6.575 3.034 -8.455 1.00 0.00 O ATOM 112 CB GLU A 91 -4.286 0.845 -6.932 1.00 0.00 C ATOM 113 CG GLU A 91 -3.885 1.318 -5.527 1.00 0.00 C ATOM 114 CD GLU A 91 -4.776 0.722 -4.421 1.00 0.00 C ATOM 115 OE1 GLU A 91 -4.451 -0.367 -3.891 1.00 0.00 O ATOM 116 OE2 GLU A 91 -5.806 1.360 -4.091 1.00 0.00 O ATOM 0 H GLU A 91 -5.596 0.997 -9.417 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.359 0.581 -6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.057 -0.218 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.658 1.362 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.847 1.044 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.940 2.406 -5.485 1.00 0.00 H new ATOM 123 N GLN A 92 -6.293 3.161 -6.227 1.00 0.00 N ATOM 124 CA GLN A 92 -6.836 4.495 -5.995 1.00 0.00 C ATOM 125 C GLN A 92 -5.978 5.598 -6.618 1.00 0.00 C ATOM 126 O GLN A 92 -4.750 5.539 -6.597 1.00 0.00 O ATOM 127 CB GLN A 92 -6.931 4.717 -4.474 1.00 0.00 C ATOM 128 CG GLN A 92 -8.147 3.985 -3.896 1.00 0.00 C ATOM 129 CD GLN A 92 -8.012 3.686 -2.405 1.00 0.00 C ATOM 130 OE1 GLN A 92 -8.507 4.421 -1.550 1.00 0.00 O ATOM 131 NE2 GLN A 92 -7.343 2.596 -2.067 1.00 0.00 N ATOM 0 H GLN A 92 -5.953 2.733 -5.366 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.816 4.551 -6.469 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.021 4.359 -3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.007 5.783 -4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.039 4.589 -4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.291 3.050 -4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.940 2.000 -2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.230 2.352 -1.083 1.00 0.00 H new ATOM 140 N VAL A 93 -6.651 6.656 -7.073 1.00 0.00 N ATOM 141 CA VAL A 93 -6.108 7.933 -7.522 1.00 0.00 C ATOM 142 C VAL A 93 -7.097 9.030 -7.126 1.00 0.00 C ATOM 143 O VAL A 93 -8.216 8.740 -6.691 1.00 0.00 O ATOM 144 CB VAL A 93 -5.852 7.947 -9.048 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.518 7.267 -9.377 1.00 0.00 C ATOM 146 CG2 VAL A 93 -7.020 7.375 -9.866 1.00 0.00 C ATOM 0 H VAL A 93 -7.669 6.638 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.141 8.102 -7.047 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.782 8.992 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.356 7.287 -10.455 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.707 7.797 -8.878 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.542 6.233 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.775 7.415 -10.927 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.197 6.340 -9.573 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.918 7.964 -9.679 1.00 0.00 H new ATOM 156 N LEU A 94 -6.699 10.286 -7.303 1.00 0.00 N ATOM 157 CA LEU A 94 -7.558 11.451 -7.192 1.00 0.00 C ATOM 158 C LEU A 94 -7.707 11.970 -8.615 1.00 0.00 C ATOM 159 O LEU A 94 -6.707 12.228 -9.286 1.00 0.00 O ATOM 160 CB LEU A 94 -6.898 12.500 -6.278 1.00 0.00 C ATOM 161 CG LEU A 94 -6.983 12.145 -4.790 1.00 0.00 C ATOM 162 CD1 LEU A 94 -6.034 13.030 -3.981 1.00 0.00 C ATOM 163 CD2 LEU A 94 -8.399 12.310 -4.224 1.00 0.00 C ATOM 0 H LEU A 94 -5.735 10.525 -7.536 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.528 11.220 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.851 12.610 -6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.375 13.466 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.701 11.096 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.104 12.768 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.011 12.878 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.310 14.076 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.401 12.045 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.719 13.346 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.085 11.657 -4.763 1.00 0.00 H new ATOM 175 N ALA A 95 -8.946 12.102 -9.080 1.00 0.00 N ATOM 176 CA ALA A 95 -9.269 12.466 -10.450 1.00 0.00 C ATOM 177 C ALA A 95 -10.353 13.538 -10.427 1.00 0.00 C ATOM 178 O ALA A 95 -11.274 13.465 -9.610 1.00 0.00 O ATOM 179 CB ALA A 95 -9.757 11.220 -11.199 1.00 0.00 C ATOM 0 H ALA A 95 -9.771 11.955 -8.498 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.390 12.858 -10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.001 11.486 -12.227 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.972 10.463 -11.196 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.645 10.824 -10.706 1.00 0.00 H new ATOM 185 N SER A 96 -10.234 14.541 -11.292 1.00 0.00 N ATOM 186 CA SER A 96 -11.177 15.641 -11.337 1.00 0.00 C ATOM 187 C SER A 96 -12.531 15.160 -11.854 1.00 0.00 C ATOM 188 O SER A 96 -12.613 14.413 -12.835 1.00 0.00 O ATOM 189 CB SER A 96 -10.581 16.779 -12.169 1.00 0.00 C ATOM 190 OG SER A 96 -9.566 17.397 -11.395 1.00 0.00 O ATOM 0 H SER A 96 -9.482 14.609 -11.977 1.00 0.00 H new ATOM 0 HA SER A 96 -11.357 16.030 -10.335 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.169 16.395 -13.102 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.352 17.502 -12.435 1.00 0.00 H new ATOM 0 HG SER A 96 -9.159 16.734 -10.799 1.00 0.00 H new ATOM 196 N TRP A 97 -13.589 15.593 -11.168 1.00 0.00 N ATOM 197 CA TRP A 97 -14.977 15.302 -11.492 1.00 0.00 C ATOM 198 C TRP A 97 -15.634 16.584 -11.997 1.00 0.00 C ATOM 199 O TRP A 97 -15.182 17.688 -11.675 1.00 0.00 O ATOM 200 CB TRP A 97 -15.676 14.739 -10.258 1.00 0.00 C ATOM 201 CG TRP A 97 -17.035 14.132 -10.436 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.445 13.292 -11.415 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.197 14.311 -9.583 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.759 12.922 -11.200 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.260 13.485 -10.043 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.420 15.068 -8.426 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.472 13.378 -9.341 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.619 14.970 -7.701 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.639 14.114 -8.152 1.00 0.00 C ATOM 0 H TRP A 97 -13.494 16.179 -10.339 1.00 0.00 H new ATOM 0 HA TRP A 97 -15.051 14.550 -12.277 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.026 13.980 -9.823 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.762 15.543 -9.527 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.835 12.960 -12.242 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -19.292 12.310 -11.818 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.651 15.744 -8.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -21.264 12.741 -9.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -19.757 15.550 -6.800 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.553 14.021 -7.585 1.00 0.00 H new ATOM 220 N SER A 98 -16.714 16.438 -12.769 1.00 0.00 N ATOM 221 CA SER A 98 -17.423 17.537 -13.414 1.00 0.00 C ATOM 222 C SER A 98 -17.946 18.578 -12.414 1.00 0.00 C ATOM 223 O SER A 98 -18.216 19.718 -12.801 1.00 0.00 O ATOM 224 CB SER A 98 -18.577 16.959 -14.248 1.00 0.00 C ATOM 225 OG SER A 98 -18.138 15.843 -15.021 1.00 0.00 O ATOM 0 H SER A 98 -17.127 15.526 -12.965 1.00 0.00 H new ATOM 0 HA SER A 98 -16.717 18.064 -14.056 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.389 16.653 -13.589 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.975 17.730 -14.908 1.00 0.00 H new ATOM 0 HG SER A 98 -18.889 15.490 -15.542 1.00 0.00 H new ATOM 231 N ASP A 99 -18.074 18.203 -11.134 1.00 0.00 N ATOM 232 CA ASP A 99 -18.421 19.109 -10.049 1.00 0.00 C ATOM 233 C ASP A 99 -17.463 20.304 -9.954 1.00 0.00 C ATOM 234 O ASP A 99 -17.928 21.448 -9.901 1.00 0.00 O ATOM 235 CB ASP A 99 -18.421 18.358 -8.727 1.00 0.00 C ATOM 236 CG ASP A 99 -18.578 19.337 -7.556 1.00 0.00 C ATOM 237 OD1 ASP A 99 -19.714 19.803 -7.292 1.00 0.00 O ATOM 238 OD2 ASP A 99 -17.546 19.631 -6.903 1.00 0.00 O ATOM 0 H ASP A 99 -17.935 17.241 -10.826 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.416 19.499 -10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.234 17.632 -8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.492 17.798 -8.619 1.00 0.00 H new ATOM 243 N SER A 100 -16.147 20.056 -9.942 1.00 0.00 N ATOM 244 CA SER A 100 -15.140 21.107 -9.780 1.00 0.00 C ATOM 245 C SER A 100 -13.717 20.580 -10.032 1.00 0.00 C ATOM 246 O SER A 100 -13.071 20.972 -11.005 1.00 0.00 O ATOM 247 CB SER A 100 -15.250 21.735 -8.374 1.00 0.00 C ATOM 248 OG SER A 100 -15.235 20.751 -7.348 1.00 0.00 O ATOM 0 H SER A 100 -15.753 19.121 -10.044 1.00 0.00 H new ATOM 0 HA SER A 100 -15.335 21.875 -10.528 1.00 0.00 H new ATOM 0 HB2 SER A 100 -14.424 22.430 -8.222 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.171 22.315 -8.307 1.00 0.00 H new ATOM 0 HG SER A 100 -16.139 20.644 -6.984 1.00 0.00 H new ATOM 254 N ARG A 101 -13.225 19.699 -9.148 1.00 0.00 N ATOM 255 CA ARG A 101 -11.851 19.186 -9.124 1.00 0.00 C ATOM 256 C ARG A 101 -11.840 17.774 -8.547 1.00 0.00 C ATOM 257 O ARG A 101 -12.826 17.059 -8.699 1.00 0.00 O ATOM 258 CB ARG A 101 -10.876 20.166 -8.422 1.00 0.00 C ATOM 259 CG ARG A 101 -10.933 20.335 -6.882 1.00 0.00 C ATOM 260 CD ARG A 101 -12.307 20.717 -6.326 1.00 0.00 C ATOM 261 NE ARG A 101 -12.253 21.040 -4.888 1.00 0.00 N ATOM 262 CZ ARG A 101 -13.299 21.384 -4.123 1.00 0.00 C ATOM 263 NH1 ARG A 101 -14.526 21.428 -4.634 1.00 0.00 N ATOM 264 NH2 ARG A 101 -13.110 21.685 -2.841 1.00 0.00 N ATOM 0 H ARG A 101 -13.799 19.310 -8.400 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.474 19.116 -10.144 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.863 19.857 -8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.030 21.151 -8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.616 19.402 -6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.213 21.099 -6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.694 21.575 -6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.004 19.895 -6.487 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.340 20.998 -4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.678 21.199 -5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.315 21.691 -4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.171 21.654 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.904 21.947 -2.256 1.00 0.00 H new ATOM 278 N PHE A 102 -10.707 17.357 -7.990 1.00 0.00 N ATOM 279 CA PHE A 102 -10.408 16.016 -7.522 1.00 0.00 C ATOM 280 C PHE A 102 -11.435 15.399 -6.568 1.00 0.00 C ATOM 281 O PHE A 102 -11.870 16.038 -5.610 1.00 0.00 O ATOM 282 CB PHE A 102 -9.036 16.055 -6.834 1.00 0.00 C ATOM 283 CG PHE A 102 -7.923 16.524 -7.748 1.00 0.00 C ATOM 284 CD1 PHE A 102 -7.624 15.779 -8.901 1.00 0.00 C ATOM 285 CD2 PHE A 102 -7.193 17.697 -7.465 1.00 0.00 C ATOM 286 CE1 PHE A 102 -6.637 16.228 -9.786 1.00 0.00 C ATOM 287 CE2 PHE A 102 -6.192 18.134 -8.354 1.00 0.00 C ATOM 288 CZ PHE A 102 -5.915 17.396 -9.518 1.00 0.00 C ATOM 0 H PHE A 102 -9.923 17.994 -7.846 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.428 15.373 -8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.089 16.716 -5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.796 15.060 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.155 14.861 -9.104 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.401 18.260 -6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.431 15.667 -10.685 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.637 19.036 -8.142 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.149 17.729 -10.202 1.00 0.00 H new ATOM 298 N TYR A 103 -11.694 14.108 -6.790 1.00 0.00 N ATOM 299 CA TYR A 103 -12.433 13.164 -5.956 1.00 0.00 C ATOM 300 C TYR A 103 -11.695 11.820 -6.099 1.00 0.00 C ATOM 301 O TYR A 103 -10.983 11.633 -7.092 1.00 0.00 O ATOM 302 CB TYR A 103 -13.890 13.020 -6.434 1.00 0.00 C ATOM 303 CG TYR A 103 -14.780 14.207 -6.131 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.769 15.309 -6.997 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.617 14.220 -5.000 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.553 16.443 -6.740 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.433 15.335 -4.746 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.378 16.468 -5.588 1.00 0.00 C ATOM 309 OH TYR A 103 -17.129 17.555 -5.259 1.00 0.00 O ATOM 0 H TYR A 103 -11.358 13.657 -7.641 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.475 13.504 -4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.889 12.851 -7.511 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.323 12.133 -5.972 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.145 15.284 -7.878 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.632 13.374 -4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.528 17.288 -7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -17.107 15.326 -3.902 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.969 18.272 -5.908 1.00 0.00 H new ATOM 319 N PRO A 104 -11.819 10.876 -5.147 1.00 0.00 N ATOM 320 CA PRO A 104 -11.167 9.577 -5.287 1.00 0.00 C ATOM 321 C PRO A 104 -11.810 8.754 -6.415 1.00 0.00 C ATOM 322 O PRO A 104 -13.021 8.834 -6.638 1.00 0.00 O ATOM 323 CB PRO A 104 -11.269 8.924 -3.904 1.00 0.00 C ATOM 324 CG PRO A 104 -12.506 9.573 -3.277 1.00 0.00 C ATOM 325 CD PRO A 104 -12.525 10.978 -3.878 1.00 0.00 C ATOM 0 HA PRO A 104 -10.121 9.658 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.381 7.843 -3.981 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.375 9.110 -3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.414 9.021 -3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.434 9.604 -2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.547 11.326 -4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -12.037 11.693 -3.216 1.00 0.00 H new ATOM 333 N ALA A 105 -10.996 7.963 -7.115 1.00 0.00 N ATOM 334 CA ALA A 105 -11.401 7.090 -8.211 1.00 0.00 C ATOM 335 C ALA A 105 -10.428 5.911 -8.307 1.00 0.00 C ATOM 336 O ALA A 105 -9.328 5.964 -7.758 1.00 0.00 O ATOM 337 CB ALA A 105 -11.390 7.893 -9.520 1.00 0.00 C ATOM 0 H ALA A 105 -9.995 7.913 -6.924 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.405 6.706 -8.032 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.692 7.248 -10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.085 8.729 -9.440 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.385 8.273 -9.705 1.00 0.00 H new ATOM 343 N LYS A 106 -10.812 4.860 -9.030 1.00 0.00 N ATOM 344 CA LYS A 106 -9.993 3.677 -9.309 1.00 0.00 C ATOM 345 C LYS A 106 -9.366 3.858 -10.696 1.00 0.00 C ATOM 346 O LYS A 106 -10.079 4.220 -11.630 1.00 0.00 O ATOM 347 CB LYS A 106 -10.936 2.455 -9.224 1.00 0.00 C ATOM 348 CG LYS A 106 -10.273 1.088 -9.465 1.00 0.00 C ATOM 349 CD LYS A 106 -11.269 -0.043 -9.136 1.00 0.00 C ATOM 350 CE LYS A 106 -10.652 -1.435 -9.356 1.00 0.00 C ATOM 351 NZ LYS A 106 -11.591 -2.535 -9.003 1.00 0.00 N ATOM 0 H LYS A 106 -11.738 4.805 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.177 3.532 -8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.401 2.445 -8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.736 2.584 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.949 1.009 -10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.382 0.992 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.594 0.050 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.157 0.063 -9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.354 -1.536 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.747 -1.527 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.129 -3.452 -9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.856 -2.457 -8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.444 -2.466 -9.593 1.00 0.00 H new ATOM 365 N VAL A 107 -8.063 3.632 -10.860 1.00 0.00 N ATOM 366 CA VAL A 107 -7.416 3.679 -12.180 1.00 0.00 C ATOM 367 C VAL A 107 -7.923 2.492 -13.000 1.00 0.00 C ATOM 368 O VAL A 107 -7.934 1.368 -12.494 1.00 0.00 O ATOM 369 CB VAL A 107 -5.882 3.599 -12.046 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.167 3.658 -13.406 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.294 4.733 -11.214 1.00 0.00 C ATOM 0 H VAL A 107 -7.428 3.413 -10.093 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.661 4.621 -12.671 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.716 2.639 -11.556 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.089 3.598 -13.253 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.493 2.822 -14.025 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.411 4.596 -13.905 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.211 4.619 -11.158 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.535 5.689 -11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.715 4.703 -10.209 1.00 0.00 H new ATOM 381 N THR A 108 -8.218 2.710 -14.278 1.00 0.00 N ATOM 382 CA THR A 108 -8.527 1.642 -15.217 1.00 0.00 C ATOM 383 C THR A 108 -7.449 1.569 -16.315 1.00 0.00 C ATOM 384 O THR A 108 -7.131 0.465 -16.761 1.00 0.00 O ATOM 385 CB THR A 108 -9.961 1.833 -15.734 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.149 3.160 -16.190 1.00 0.00 O ATOM 387 CG2 THR A 108 -10.985 1.605 -14.618 1.00 0.00 C ATOM 0 H THR A 108 -8.249 3.642 -14.692 1.00 0.00 H new ATOM 0 HA THR A 108 -8.501 0.667 -14.731 1.00 0.00 H new ATOM 0 HB THR A 108 -10.104 1.113 -16.540 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.066 3.266 -16.518 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.991 1.747 -15.013 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.885 0.589 -14.235 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.808 2.316 -13.811 1.00 0.00 H new ATOM 395 N ALA A 109 -6.835 2.694 -16.717 1.00 0.00 N ATOM 396 CA ALA A 109 -5.649 2.719 -17.577 1.00 0.00 C ATOM 397 C ALA A 109 -4.822 3.973 -17.309 1.00 0.00 C ATOM 398 O ALA A 109 -5.313 4.941 -16.727 1.00 0.00 O ATOM 399 CB ALA A 109 -6.042 2.624 -19.058 1.00 0.00 C ATOM 0 H ALA A 109 -7.157 3.624 -16.447 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.036 1.849 -17.340 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.144 2.645 -19.675 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.581 1.693 -19.232 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.681 3.467 -19.320 1.00 0.00 H new ATOM 405 N VAL A 110 -3.580 3.970 -17.785 1.00 0.00 N ATOM 406 CA VAL A 110 -2.657 5.097 -17.748 1.00 0.00 C ATOM 407 C VAL A 110 -1.927 5.065 -19.093 1.00 0.00 C ATOM 408 O VAL A 110 -1.612 3.980 -19.593 1.00 0.00 O ATOM 409 CB VAL A 110 -1.683 4.953 -16.557 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.811 6.211 -16.413 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.405 4.717 -15.227 1.00 0.00 C ATOM 0 H VAL A 110 -3.173 3.145 -18.226 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.166 6.050 -17.605 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.067 4.081 -16.777 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -0.133 6.089 -15.569 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.233 6.359 -17.325 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.449 7.078 -16.243 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.671 4.623 -14.426 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.066 5.558 -15.017 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.993 3.801 -15.290 1.00 0.00 H new ATOM 421 N ASN A 111 -1.660 6.234 -19.681 1.00 0.00 N ATOM 422 CA ASN A 111 -1.150 6.357 -21.044 1.00 0.00 C ATOM 423 C ASN A 111 0.006 7.347 -20.995 1.00 0.00 C ATOM 424 O ASN A 111 -0.209 8.529 -20.722 1.00 0.00 O ATOM 425 CB ASN A 111 -2.240 6.876 -22.004 1.00 0.00 C ATOM 426 CG ASN A 111 -3.538 6.067 -22.021 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.534 4.838 -22.049 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.684 6.737 -22.004 1.00 0.00 N ATOM 0 H ASN A 111 -1.795 7.132 -19.216 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.830 5.383 -21.414 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.477 7.905 -21.735 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.831 6.896 -23.014 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.570 6.232 -22.014 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.678 7.757 -21.981 1.00 0.00 H new ATOM 435 N LYS A 112 1.232 6.887 -21.264 1.00 0.00 N ATOM 436 CA LYS A 112 2.446 7.709 -21.151 1.00 0.00 C ATOM 437 C LYS A 112 2.419 8.930 -22.084 1.00 0.00 C ATOM 438 O LYS A 112 3.130 9.903 -21.831 1.00 0.00 O ATOM 439 CB LYS A 112 3.676 6.811 -21.394 1.00 0.00 C ATOM 440 CG LYS A 112 5.045 7.449 -21.088 1.00 0.00 C ATOM 441 CD LYS A 112 5.220 7.866 -19.617 1.00 0.00 C ATOM 442 CE LYS A 112 6.628 8.447 -19.406 1.00 0.00 C ATOM 443 NZ LYS A 112 6.906 8.760 -17.979 1.00 0.00 N ATOM 0 H LYS A 112 1.413 5.930 -21.568 1.00 0.00 H new ATOM 0 HA LYS A 112 2.501 8.124 -20.145 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.572 5.912 -20.786 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.670 6.493 -22.437 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.832 6.742 -21.352 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.177 8.325 -21.723 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.467 8.606 -19.347 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.070 7.006 -18.965 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.369 7.736 -19.770 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.737 9.353 -20.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.754 9.358 -17.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.094 9.265 -17.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.064 7.876 -17.454 1.00 0.00 H new ATOM 457 N ASP A 113 1.577 8.905 -23.124 1.00 0.00 N ATOM 458 CA ASP A 113 1.301 10.059 -23.985 1.00 0.00 C ATOM 459 C ASP A 113 0.873 11.299 -23.184 1.00 0.00 C ATOM 460 O ASP A 113 1.186 12.425 -23.580 1.00 0.00 O ATOM 461 CB ASP A 113 0.207 9.695 -24.993 1.00 0.00 C ATOM 462 CG ASP A 113 -0.112 10.878 -25.924 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.723 11.191 -26.810 1.00 0.00 O ATOM 464 OD2 ASP A 113 -1.195 11.493 -25.780 1.00 0.00 O ATOM 0 H ASP A 113 1.060 8.068 -23.395 1.00 0.00 H new ATOM 0 HA ASP A 113 2.227 10.310 -24.503 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.527 8.838 -25.586 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.696 9.395 -24.461 1.00 0.00 H new ATOM 469 N GLY A 114 0.215 11.098 -22.034 1.00 0.00 N ATOM 470 CA GLY A 114 -0.116 12.151 -21.078 1.00 0.00 C ATOM 471 C GLY A 114 -1.549 12.049 -20.560 1.00 0.00 C ATOM 472 O GLY A 114 -2.107 13.069 -20.145 1.00 0.00 O ATOM 0 H GLY A 114 -0.107 10.176 -21.741 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.574 12.102 -20.236 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.027 13.123 -21.551 1.00 0.00 H new ATOM 476 N THR A 115 -2.177 10.871 -20.616 1.00 0.00 N ATOM 477 CA THR A 115 -3.595 10.715 -20.307 1.00 0.00 C ATOM 478 C THR A 115 -3.811 9.542 -19.347 1.00 0.00 C ATOM 479 O THR A 115 -2.896 8.775 -19.042 1.00 0.00 O ATOM 480 CB THR A 115 -4.438 10.672 -21.604 1.00 0.00 C ATOM 481 OG1 THR A 115 -4.100 9.559 -22.408 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.231 11.921 -22.470 1.00 0.00 C ATOM 0 H THR A 115 -1.714 10.001 -20.877 1.00 0.00 H new ATOM 0 HA THR A 115 -3.959 11.590 -19.768 1.00 0.00 H new ATOM 0 HB THR A 115 -5.474 10.610 -21.271 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.652 9.561 -23.218 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.843 11.846 -23.369 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.522 12.807 -21.906 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.181 11.999 -22.751 1.00 0.00 H new ATOM 490 N TYR A 116 -5.027 9.442 -18.833 1.00 0.00 N ATOM 491 CA TYR A 116 -5.435 8.573 -17.749 1.00 0.00 C ATOM 492 C TYR A 116 -6.852 8.107 -18.054 1.00 0.00 C ATOM 493 O TYR A 116 -7.622 8.855 -18.654 1.00 0.00 O ATOM 494 CB TYR A 116 -5.451 9.417 -16.459 1.00 0.00 C ATOM 495 CG TYR A 116 -4.309 9.159 -15.497 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.381 8.067 -14.609 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.179 9.999 -15.472 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.357 7.847 -13.668 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.163 9.796 -14.520 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.249 8.720 -13.610 1.00 0.00 C ATOM 501 OH TYR A 116 -1.262 8.534 -12.688 1.00 0.00 O ATOM 0 H TYR A 116 -5.802 10.003 -19.187 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.766 7.720 -17.635 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.439 10.471 -16.735 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.391 9.234 -15.938 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.226 7.396 -14.651 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.092 10.803 -16.187 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.419 7.009 -12.989 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.316 10.465 -14.485 1.00 0.00 H new ATOM 0 HH TYR A 116 -1.184 7.579 -12.480 1.00 0.00 H new ATOM 511 N THR A 117 -7.226 6.937 -17.550 1.00 0.00 N ATOM 512 CA THR A 117 -8.598 6.458 -17.576 1.00 0.00 C ATOM 513 C THR A 117 -8.904 6.002 -16.157 1.00 0.00 C ATOM 514 O THR A 117 -8.078 5.344 -15.512 1.00 0.00 O ATOM 515 CB THR A 117 -8.784 5.340 -18.621 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.058 5.628 -19.811 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.263 5.175 -18.991 1.00 0.00 C ATOM 0 H THR A 117 -6.575 6.288 -17.107 1.00 0.00 H new ATOM 0 HA THR A 117 -9.296 7.238 -17.882 1.00 0.00 H new ATOM 0 HB THR A 117 -8.409 4.420 -18.173 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.190 4.904 -20.458 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.367 4.380 -19.730 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.835 4.918 -18.099 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.640 6.109 -19.408 1.00 0.00 H new ATOM 525 N VAL A 118 -10.066 6.394 -15.640 1.00 0.00 N ATOM 526 CA VAL A 118 -10.451 6.129 -14.264 1.00 0.00 C ATOM 527 C VAL A 118 -11.929 5.760 -14.220 1.00 0.00 C ATOM 528 O VAL A 118 -12.715 6.182 -15.074 1.00 0.00 O ATOM 529 CB VAL A 118 -10.134 7.347 -13.365 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.629 7.633 -13.244 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.820 8.638 -13.848 1.00 0.00 C ATOM 0 H VAL A 118 -10.769 6.908 -16.171 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.874 5.290 -13.876 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.527 7.063 -12.389 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.474 8.499 -12.600 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.127 6.766 -12.813 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.217 7.837 -14.232 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.562 9.459 -13.179 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.484 8.873 -14.858 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.901 8.497 -13.849 1.00 0.00 H new ATOM 541 N LYS A 119 -12.312 5.018 -13.184 1.00 0.00 N ATOM 542 CA LYS A 119 -13.683 4.670 -12.852 1.00 0.00 C ATOM 543 C LYS A 119 -13.972 5.260 -11.478 1.00 0.00 C ATOM 544 O LYS A 119 -13.220 5.016 -10.535 1.00 0.00 O ATOM 545 CB LYS A 119 -13.805 3.137 -12.883 1.00 0.00 C ATOM 546 CG LYS A 119 -15.160 2.620 -12.388 1.00 0.00 C ATOM 547 CD LYS A 119 -15.265 1.109 -12.637 1.00 0.00 C ATOM 548 CE LYS A 119 -16.642 0.594 -12.187 1.00 0.00 C ATOM 549 NZ LYS A 119 -16.807 -0.866 -12.426 1.00 0.00 N ATOM 0 H LYS A 119 -11.640 4.626 -12.524 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.411 5.069 -13.558 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.643 2.788 -13.903 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.014 2.705 -12.269 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.273 2.831 -11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.968 3.139 -12.904 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.116 0.896 -13.696 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.477 0.587 -12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.776 0.803 -11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.422 1.137 -12.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.750 -1.166 -12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.706 -1.065 -13.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.080 -1.389 -11.897 1.00 0.00 H new ATOM 563 N PHE A 120 -15.032 6.045 -11.367 1.00 0.00 N ATOM 564 CA PHE A 120 -15.540 6.493 -10.080 1.00 0.00 C ATOM 565 C PHE A 120 -16.404 5.374 -9.499 1.00 0.00 C ATOM 566 O PHE A 120 -17.037 4.627 -10.243 1.00 0.00 O ATOM 567 CB PHE A 120 -16.374 7.767 -10.260 1.00 0.00 C ATOM 568 CG PHE A 120 -15.589 9.012 -10.626 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.739 9.615 -9.679 1.00 0.00 C ATOM 570 CD2 PHE A 120 -15.711 9.576 -11.910 1.00 0.00 C ATOM 571 CE1 PHE A 120 -14.042 10.792 -10.003 1.00 0.00 C ATOM 572 CE2 PHE A 120 -15.014 10.751 -12.233 1.00 0.00 C ATOM 573 CZ PHE A 120 -14.179 11.360 -11.279 1.00 0.00 C ATOM 0 H PHE A 120 -15.564 6.389 -12.166 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.715 6.720 -9.405 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -17.119 7.587 -11.035 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.917 7.959 -9.335 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.622 9.172 -8.701 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -16.342 9.104 -12.648 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.401 11.259 -9.270 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -15.119 11.188 -13.215 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.644 12.264 -11.528 1.00 0.00 H new ATOM 583 N TYR A 121 -16.488 5.297 -8.169 1.00 0.00 N ATOM 584 CA TYR A 121 -17.147 4.183 -7.478 1.00 0.00 C ATOM 585 C TYR A 121 -18.659 4.122 -7.737 1.00 0.00 C ATOM 586 O TYR A 121 -19.265 3.055 -7.616 1.00 0.00 O ATOM 587 CB TYR A 121 -16.843 4.245 -5.973 1.00 0.00 C ATOM 588 CG TYR A 121 -15.380 4.504 -5.662 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.427 3.474 -5.801 1.00 0.00 C ATOM 590 CD2 TYR A 121 -14.975 5.784 -5.244 1.00 0.00 C ATOM 591 CE1 TYR A 121 -13.062 3.735 -5.564 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.618 6.052 -5.018 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.655 5.038 -5.201 1.00 0.00 C ATOM 594 OH TYR A 121 -11.338 5.331 -5.024 1.00 0.00 O ATOM 0 H TYR A 121 -16.103 6.002 -7.541 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.737 3.261 -7.890 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.447 5.031 -5.520 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -17.144 3.305 -5.510 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -14.744 2.483 -6.090 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.710 6.561 -5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.333 2.944 -5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.309 7.038 -4.703 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.795 4.758 -5.604 1.00 0.00 H new ATOM 604 N ASP A 122 -19.270 5.253 -8.117 1.00 0.00 N ATOM 605 CA ASP A 122 -20.685 5.311 -8.497 1.00 0.00 C ATOM 606 C ASP A 122 -20.979 4.497 -9.768 1.00 0.00 C ATOM 607 O ASP A 122 -22.092 3.993 -9.928 1.00 0.00 O ATOM 608 CB ASP A 122 -21.105 6.772 -8.704 1.00 0.00 C ATOM 609 CG ASP A 122 -22.614 6.893 -8.976 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.401 6.771 -8.005 1.00 0.00 O ATOM 611 OD2 ASP A 122 -23.012 7.115 -10.144 1.00 0.00 O ATOM 0 H ASP A 122 -18.794 6.154 -8.169 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.263 4.868 -7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.846 7.355 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.549 7.196 -9.540 1.00 0.00 H new ATOM 616 N GLY A 123 -19.981 4.338 -10.650 1.00 0.00 N ATOM 617 CA GLY A 123 -20.061 3.530 -11.868 1.00 0.00 C ATOM 618 C GLY A 123 -19.569 4.273 -13.116 1.00 0.00 C ATOM 619 O GLY A 123 -19.285 3.633 -14.129 1.00 0.00 O ATOM 0 H GLY A 123 -19.071 4.783 -10.529 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.470 2.624 -11.735 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.094 3.217 -12.022 1.00 0.00 H new ATOM 623 N VAL A 124 -19.479 5.609 -13.062 1.00 0.00 N ATOM 624 CA VAL A 124 -19.030 6.451 -14.175 1.00 0.00 C ATOM 625 C VAL A 124 -17.562 6.130 -14.501 1.00 0.00 C ATOM 626 O VAL A 124 -16.764 5.867 -13.599 1.00 0.00 O ATOM 627 CB VAL A 124 -19.254 7.943 -13.814 1.00 0.00 C ATOM 628 CG1 VAL A 124 -18.828 8.909 -14.932 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.730 8.230 -13.494 1.00 0.00 C ATOM 0 H VAL A 124 -19.721 6.143 -12.227 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.611 6.245 -15.074 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.627 8.114 -12.939 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -19.011 9.936 -14.615 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.766 8.778 -15.141 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.404 8.699 -15.833 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.850 9.284 -13.246 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.344 7.990 -14.362 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -21.044 7.620 -12.647 1.00 0.00 H new ATOM 639 N VAL A 125 -17.191 6.212 -15.780 1.00 0.00 N ATOM 640 CA VAL A 125 -15.832 6.002 -16.279 1.00 0.00 C ATOM 641 C VAL A 125 -15.523 7.175 -17.216 1.00 0.00 C ATOM 642 O VAL A 125 -16.422 7.657 -17.913 1.00 0.00 O ATOM 643 CB VAL A 125 -15.743 4.638 -17.007 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.323 4.321 -17.501 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.185 3.468 -16.114 1.00 0.00 C ATOM 0 H VAL A 125 -17.853 6.435 -16.523 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.101 5.971 -15.471 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.418 4.739 -17.857 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.320 3.354 -18.003 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.000 5.093 -18.199 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.641 4.291 -16.652 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.104 2.534 -16.671 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.546 3.421 -15.233 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.219 3.617 -15.804 1.00 0.00 H new ATOM 655 N GLN A 126 -14.270 7.645 -17.237 1.00 0.00 N ATOM 656 CA GLN A 126 -13.836 8.731 -18.118 1.00 0.00 C ATOM 657 C GLN A 126 -12.363 8.565 -18.503 1.00 0.00 C ATOM 658 O GLN A 126 -11.584 8.002 -17.732 1.00 0.00 O ATOM 659 CB GLN A 126 -14.084 10.101 -17.442 1.00 0.00 C ATOM 660 CG GLN A 126 -13.394 10.295 -16.075 1.00 0.00 C ATOM 661 CD GLN A 126 -13.519 11.713 -15.500 1.00 0.00 C ATOM 662 OE1 GLN A 126 -14.296 12.544 -15.967 1.00 0.00 O ATOM 663 NE2 GLN A 126 -12.750 12.015 -14.462 1.00 0.00 N ATOM 0 H GLN A 126 -13.527 7.280 -16.640 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.424 8.690 -19.035 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -13.745 10.887 -18.117 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.158 10.234 -17.311 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.819 9.588 -15.363 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.337 10.048 -16.176 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -12.109 11.318 -14.082 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -12.800 12.944 -14.044 1.00 0.00 H new ATOM 672 N THR A 127 -11.987 9.122 -19.658 1.00 0.00 N ATOM 673 CA THR A 127 -10.597 9.270 -20.088 1.00 0.00 C ATOM 674 C THR A 127 -10.309 10.771 -19.972 1.00 0.00 C ATOM 675 O THR A 127 -11.108 11.598 -20.421 1.00 0.00 O ATOM 676 CB THR A 127 -10.376 8.731 -21.516 1.00 0.00 C ATOM 677 OG1 THR A 127 -11.029 7.483 -21.712 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.883 8.555 -21.822 1.00 0.00 C ATOM 0 H THR A 127 -12.657 9.490 -20.334 1.00 0.00 H new ATOM 0 HA THR A 127 -9.912 8.686 -19.473 1.00 0.00 H new ATOM 0 HB THR A 127 -10.803 9.471 -22.193 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.870 7.171 -22.627 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.762 8.174 -22.836 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.378 9.517 -21.733 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.447 7.849 -21.115 1.00 0.00 H new ATOM 686 N VAL A 128 -9.203 11.119 -19.320 1.00 0.00 N ATOM 687 CA VAL A 128 -8.858 12.474 -18.906 1.00 0.00 C ATOM 688 C VAL A 128 -7.331 12.638 -18.974 1.00 0.00 C ATOM 689 O VAL A 128 -6.617 11.689 -19.293 1.00 0.00 O ATOM 690 CB VAL A 128 -9.440 12.742 -17.492 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.932 13.100 -17.532 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.248 11.562 -16.517 1.00 0.00 C ATOM 0 H VAL A 128 -8.494 10.435 -19.055 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.295 13.218 -19.573 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.868 13.594 -17.123 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.291 13.278 -16.518 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -11.074 14.000 -18.130 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.492 12.277 -17.976 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.678 11.817 -15.548 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.746 10.677 -16.914 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.184 11.357 -16.399 1.00 0.00 H new ATOM 702 N LYS A 129 -6.806 13.836 -18.715 1.00 0.00 N ATOM 703 CA LYS A 129 -5.390 14.150 -18.917 1.00 0.00 C ATOM 704 C LYS A 129 -4.623 14.030 -17.605 1.00 0.00 C ATOM 705 O LYS A 129 -5.221 13.993 -16.532 1.00 0.00 O ATOM 706 CB LYS A 129 -5.272 15.562 -19.521 1.00 0.00 C ATOM 707 CG LYS A 129 -5.962 15.618 -20.893 1.00 0.00 C ATOM 708 CD LYS A 129 -5.750 16.977 -21.579 1.00 0.00 C ATOM 709 CE LYS A 129 -6.419 16.972 -22.965 1.00 0.00 C ATOM 710 NZ LYS A 129 -6.255 18.265 -23.684 1.00 0.00 N ATOM 0 H LYS A 129 -7.353 14.620 -18.358 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.947 13.436 -19.611 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.725 16.291 -18.849 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.221 15.834 -19.624 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.572 14.824 -21.530 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -7.029 15.434 -20.772 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.170 17.774 -20.965 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.684 17.181 -21.680 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -5.993 16.169 -23.567 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.481 16.756 -22.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.723 18.209 -24.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -6.684 19.030 -23.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.243 18.461 -23.819 1.00 0.00 H new ATOM 724 N HIS A 130 -3.292 14.053 -17.678 1.00 0.00 N ATOM 725 CA HIS A 130 -2.420 14.149 -16.503 1.00 0.00 C ATOM 726 C HIS A 130 -2.784 15.368 -15.643 1.00 0.00 C ATOM 727 O HIS A 130 -2.851 15.253 -14.422 1.00 0.00 O ATOM 728 CB HIS A 130 -0.952 14.190 -16.962 1.00 0.00 C ATOM 729 CG HIS A 130 0.028 14.555 -15.870 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.101 15.440 -16.029 1.00 0.00 N ATOM 731 CD2 HIS A 130 0.017 14.092 -14.584 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.703 15.497 -14.829 1.00 0.00 C ATOM 733 NE2 HIS A 130 1.075 14.702 -13.948 1.00 0.00 N ATOM 0 H HIS A 130 -2.783 14.005 -18.561 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.563 13.270 -15.875 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.682 13.214 -17.366 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.857 14.909 -17.775 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.681 13.389 -14.153 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.571 16.099 -14.604 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.338 14.572 -12.971 1.00 0.00 H new ATOM 741 N ILE A 131 -3.126 16.508 -16.257 1.00 0.00 N ATOM 742 CA ILE A 131 -3.570 17.699 -15.522 1.00 0.00 C ATOM 743 C ILE A 131 -4.887 17.496 -14.749 1.00 0.00 C ATOM 744 O ILE A 131 -5.285 18.384 -13.991 1.00 0.00 O ATOM 745 CB ILE A 131 -3.641 18.930 -16.451 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.574 18.717 -17.667 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.217 19.301 -16.888 1.00 0.00 C ATOM 748 CD1 ILE A 131 -4.936 20.016 -18.398 1.00 0.00 C ATOM 0 H ILE A 131 -3.103 16.630 -17.269 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.812 17.883 -14.761 1.00 0.00 H new ATOM 0 HB ILE A 131 -4.082 19.756 -15.893 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.092 18.037 -18.369 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.490 18.232 -17.331 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.253 20.170 -17.545 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.616 19.535 -16.009 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.769 18.462 -17.420 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.592 19.790 -19.239 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.447 20.690 -17.710 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.027 20.492 -18.765 1.00 0.00 H new ATOM 760 N HIS A 132 -5.564 16.353 -14.911 1.00 0.00 N ATOM 761 CA HIS A 132 -6.830 16.049 -14.259 1.00 0.00 C ATOM 762 C HIS A 132 -6.717 14.889 -13.264 1.00 0.00 C ATOM 763 O HIS A 132 -7.702 14.602 -12.588 1.00 0.00 O ATOM 764 CB HIS A 132 -7.888 15.677 -15.310 1.00 0.00 C ATOM 765 CG HIS A 132 -8.084 16.646 -16.448 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.295 16.271 -17.778 1.00 0.00 N ATOM 767 CD2 HIS A 132 -8.089 18.009 -16.361 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.432 17.422 -18.459 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.314 18.478 -17.636 1.00 0.00 N ATOM 0 H HIS A 132 -5.233 15.600 -15.515 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.119 16.946 -13.712 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.623 14.707 -15.731 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.844 15.553 -14.801 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -7.945 18.601 -15.469 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.612 17.489 -19.522 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.380 19.459 -17.909 1.00 0.00 H new ATOM 777 N VAL A 133 -5.587 14.176 -13.184 1.00 0.00 N ATOM 778 CA VAL A 133 -5.444 12.977 -12.341 1.00 0.00 C ATOM 779 C VAL A 133 -4.066 12.909 -11.684 1.00 0.00 C ATOM 780 O VAL A 133 -3.047 13.167 -12.322 1.00 0.00 O ATOM 781 CB VAL A 133 -5.719 11.694 -13.158 1.00 0.00 C ATOM 782 CG1 VAL A 133 -5.765 10.454 -12.252 1.00 0.00 C ATOM 783 CG2 VAL A 133 -7.052 11.764 -13.912 1.00 0.00 C ATOM 0 H VAL A 133 -4.742 14.413 -13.703 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.186 13.049 -11.546 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.898 11.616 -13.871 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -5.960 9.568 -12.857 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.809 10.341 -11.741 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.559 10.572 -11.514 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.202 10.841 -14.472 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.867 11.893 -13.199 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.036 12.608 -14.602 1.00 0.00 H new ATOM 793 N LYS A 134 -4.020 12.485 -10.419 1.00 0.00 N ATOM 794 CA LYS A 134 -2.779 12.233 -9.682 1.00 0.00 C ATOM 795 C LYS A 134 -2.998 11.117 -8.655 1.00 0.00 C ATOM 796 O LYS A 134 -4.118 10.636 -8.496 1.00 0.00 O ATOM 797 CB LYS A 134 -2.257 13.556 -9.076 1.00 0.00 C ATOM 798 CG LYS A 134 -3.240 14.257 -8.118 1.00 0.00 C ATOM 799 CD LYS A 134 -2.632 15.565 -7.591 1.00 0.00 C ATOM 800 CE LYS A 134 -3.618 16.292 -6.661 1.00 0.00 C ATOM 801 NZ LYS A 134 -3.061 17.579 -6.156 1.00 0.00 N ATOM 0 H LYS A 134 -4.859 12.304 -9.868 1.00 0.00 H new ATOM 0 HA LYS A 134 -1.998 11.874 -10.352 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.330 13.353 -8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -2.012 14.240 -9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.176 14.466 -8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.478 13.597 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.709 15.351 -7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.370 16.212 -8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.548 16.484 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.864 15.647 -5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.810 18.116 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.290 17.384 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.694 18.135 -6.954 1.00 0.00 H new ATOM 815 N ALA A 135 -1.928 10.685 -7.980 1.00 0.00 N ATOM 816 CA ALA A 135 -1.977 9.722 -6.878 1.00 0.00 C ATOM 817 C ALA A 135 -2.895 10.213 -5.750 1.00 0.00 C ATOM 818 O ALA A 135 -3.276 11.381 -5.723 1.00 0.00 O ATOM 819 CB ALA A 135 -0.544 9.517 -6.363 1.00 0.00 C ATOM 0 H ALA A 135 -0.982 11.003 -8.191 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.389 8.777 -7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.552 8.803 -5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.081 9.134 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.143 10.469 -6.014 1.00 0.00 H new ATOM 825 N PHE A 136 -3.223 9.345 -4.781 1.00 0.00 N ATOM 826 CA PHE A 136 -3.904 9.812 -3.562 1.00 0.00 C ATOM 827 C PHE A 136 -3.008 10.792 -2.777 1.00 0.00 C ATOM 828 O PHE A 136 -3.501 11.627 -2.017 1.00 0.00 O ATOM 829 CB PHE A 136 -4.361 8.628 -2.694 1.00 0.00 C ATOM 830 CG PHE A 136 -5.285 9.028 -1.556 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.476 9.726 -1.834 1.00 0.00 C ATOM 832 CD2 PHE A 136 -4.965 8.709 -0.223 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.309 10.163 -0.792 1.00 0.00 C ATOM 834 CE2 PHE A 136 -5.824 9.102 0.819 1.00 0.00 C ATOM 835 CZ PHE A 136 -6.987 9.843 0.539 1.00 0.00 C ATOM 0 H PHE A 136 -3.035 8.343 -4.813 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.801 10.356 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -4.871 7.901 -3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.483 8.131 -2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.751 9.927 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.060 8.163 -0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.193 10.743 -1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -5.590 8.834 1.839 1.00 0.00 H new ATOM 0 HZ PHE A 136 -7.631 10.165 1.344 1.00 0.00 H new ATOM 845 N SER A 137 -1.695 10.747 -3.026 1.00 0.00 N ATOM 846 CA SER A 137 -0.743 11.718 -2.538 1.00 0.00 C ATOM 847 C SER A 137 -1.055 13.108 -3.102 1.00 0.00 C ATOM 848 O SER A 137 -1.111 13.310 -4.316 1.00 0.00 O ATOM 849 CB SER A 137 0.659 11.273 -2.948 1.00 0.00 C ATOM 850 OG SER A 137 0.882 9.955 -2.480 1.00 0.00 O ATOM 0 H SER A 137 -1.266 10.011 -3.588 1.00 0.00 H new ATOM 0 HA SER A 137 -0.805 11.781 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.763 11.310 -4.032 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.405 11.951 -2.533 1.00 0.00 H new ATOM 0 HG SER A 137 1.232 9.403 -3.210 1.00 0.00 H new ATOM 856 N LYS A 138 -1.243 14.069 -2.189 1.00 0.00 N ATOM 857 CA LYS A 138 -1.638 15.435 -2.517 1.00 0.00 C ATOM 858 C LYS A 138 -0.611 16.133 -3.416 1.00 0.00 C ATOM 859 O LYS A 138 -1.000 16.866 -4.323 1.00 0.00 O ATOM 860 CB LYS A 138 -1.807 16.202 -1.190 1.00 0.00 C ATOM 861 CG LYS A 138 -2.522 17.554 -1.336 1.00 0.00 C ATOM 862 CD LYS A 138 -2.520 18.366 -0.029 1.00 0.00 C ATOM 863 CE LYS A 138 -3.174 17.622 1.149 1.00 0.00 C ATOM 864 NZ LYS A 138 -3.231 18.459 2.379 1.00 0.00 N ATOM 0 H LYS A 138 -1.122 13.912 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.572 15.416 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.367 15.580 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -0.823 16.368 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -2.038 18.134 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -3.551 17.385 -1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -1.492 18.617 0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -3.046 19.307 -0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -4.183 17.319 0.870 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -2.614 16.710 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -3.679 17.918 3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -2.267 18.727 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -3.787 19.317 2.190 1.00 0.00 H new ATOM 878 N ASP A 139 0.679 15.916 -3.141 1.00 0.00 N ATOM 879 CA ASP A 139 1.785 16.669 -3.734 1.00 0.00 C ATOM 880 C ASP A 139 1.914 16.523 -5.256 1.00 0.00 C ATOM 881 O ASP A 139 1.690 17.497 -5.979 1.00 0.00 O ATOM 882 CB ASP A 139 3.098 16.286 -3.038 1.00 0.00 C ATOM 883 CG ASP A 139 4.296 17.039 -3.641 1.00 0.00 C ATOM 884 OD1 ASP A 139 4.288 18.293 -3.643 1.00 0.00 O ATOM 885 OD2 ASP A 139 5.249 16.374 -4.111 1.00 0.00 O ATOM 0 H ASP A 139 0.988 15.197 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 139 1.559 17.723 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 139 3.025 16.509 -1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.259 15.212 -3.128 1.00 0.00 H new ATOM 890 N GLN A 140 2.260 15.327 -5.754 1.00 0.00 N ATOM 891 CA GLN A 140 2.631 15.097 -7.155 1.00 0.00 C ATOM 892 C GLN A 140 2.273 13.670 -7.593 1.00 0.00 C ATOM 893 O GLN A 140 1.963 12.809 -6.768 1.00 0.00 O ATOM 894 CB GLN A 140 4.151 15.338 -7.339 1.00 0.00 C ATOM 895 CG GLN A 140 4.554 16.818 -7.418 1.00 0.00 C ATOM 896 CD GLN A 140 6.071 16.975 -7.523 1.00 0.00 C ATOM 897 OE1 GLN A 140 6.624 17.188 -8.601 1.00 0.00 O ATOM 898 NE2 GLN A 140 6.774 16.872 -6.407 1.00 0.00 N ATOM 0 H GLN A 140 2.290 14.481 -5.185 1.00 0.00 H new ATOM 0 HA GLN A 140 2.072 15.795 -7.778 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.683 14.873 -6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.479 14.836 -8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.078 17.281 -8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.192 17.344 -6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.301 16.695 -5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 140 7.789 16.969 -6.433 1.00 0.00 H new ATOM 907 N ASN A 141 2.337 13.432 -8.909 1.00 0.00 N ATOM 908 CA ASN A 141 2.068 12.139 -9.549 1.00 0.00 C ATOM 909 C ASN A 141 3.222 11.149 -9.289 1.00 0.00 C ATOM 910 O ASN A 141 4.342 11.584 -9.012 1.00 0.00 O ATOM 911 CB ASN A 141 1.862 12.397 -11.059 1.00 0.00 C ATOM 912 CG ASN A 141 1.267 11.207 -11.795 1.00 0.00 C ATOM 913 OD1 ASN A 141 1.972 10.265 -12.109 1.00 0.00 O ATOM 914 ND2 ASN A 141 -0.020 11.204 -12.080 1.00 0.00 N ATOM 0 H ASN A 141 2.586 14.159 -9.580 1.00 0.00 H new ATOM 0 HA ASN A 141 1.171 11.683 -9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.208 13.259 -11.188 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.820 12.653 -11.511 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.433 10.409 -12.567 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -0.603 11.997 -11.813 1.00 0.00 H new ATOM 921 N ILE A 142 2.948 9.836 -9.373 1.00 0.00 N ATOM 922 CA ILE A 142 3.932 8.774 -9.119 1.00 0.00 C ATOM 923 C ILE A 142 3.784 7.605 -10.138 1.00 0.00 C ATOM 924 O ILE A 142 4.161 6.468 -9.844 1.00 0.00 O ATOM 925 CB ILE A 142 3.914 8.307 -7.628 1.00 0.00 C ATOM 926 CG1 ILE A 142 3.403 9.355 -6.601 1.00 0.00 C ATOM 927 CG2 ILE A 142 5.351 7.896 -7.240 1.00 0.00 C ATOM 928 CD1 ILE A 142 3.359 8.870 -5.146 1.00 0.00 C ATOM 0 H ILE A 142 2.025 9.480 -9.622 1.00 0.00 H new ATOM 0 HA ILE A 142 4.925 9.192 -9.282 1.00 0.00 H new ATOM 0 HB ILE A 142 3.201 7.484 -7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 142 4.042 10.236 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.401 9.670 -6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 142 5.367 7.565 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 142 5.684 7.083 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 142 6.018 8.750 -7.359 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.989 9.671 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 142 2.695 8.009 -5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 142 4.361 8.584 -4.827 1.00 0.00 H new ATOM 940 N VAL A 143 3.228 7.853 -11.336 1.00 0.00 N ATOM 941 CA VAL A 143 3.080 6.858 -12.409 1.00 0.00 C ATOM 942 C VAL A 143 3.418 7.497 -13.767 1.00 0.00 C ATOM 943 O VAL A 143 4.370 7.063 -14.419 1.00 0.00 O ATOM 944 CB VAL A 143 1.657 6.242 -12.424 1.00 0.00 C ATOM 945 CG1 VAL A 143 1.586 5.039 -13.379 1.00 0.00 C ATOM 946 CG2 VAL A 143 1.161 5.789 -11.044 1.00 0.00 C ATOM 0 H VAL A 143 2.862 8.770 -11.590 1.00 0.00 H new ATOM 0 HA VAL A 143 3.780 6.044 -12.218 1.00 0.00 H new ATOM 0 HB VAL A 143 1.007 7.048 -12.765 1.00 0.00 H new ATOM 0 HG11 VAL A 143 0.577 4.626 -13.370 1.00 0.00 H new ATOM 0 HG12 VAL A 143 1.837 5.361 -14.389 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.293 4.275 -13.055 1.00 0.00 H new ATOM 0 HG21 VAL A 143 0.159 5.370 -11.137 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.836 5.032 -10.645 1.00 0.00 H new ATOM 0 HG23 VAL A 143 1.135 6.644 -10.368 1.00 0.00 H new ATOM 956 N GLY A 144 2.685 8.537 -14.188 1.00 0.00 N ATOM 957 CA GLY A 144 2.962 9.282 -15.419 1.00 0.00 C ATOM 958 C GLY A 144 4.277 10.051 -15.296 1.00 0.00 C ATOM 959 O GLY A 144 5.044 10.136 -16.258 1.00 0.00 O ATOM 0 H GLY A 144 1.875 8.887 -13.676 1.00 0.00 H new ATOM 0 HA2 GLY A 144 3.014 8.594 -16.263 1.00 0.00 H new ATOM 0 HA3 GLY A 144 2.146 9.976 -15.622 1.00 0.00 H new ATOM 963 N ASN A 145 4.576 10.534 -14.087 1.00 0.00 N ATOM 964 CA ASN A 145 5.849 11.114 -13.662 1.00 0.00 C ATOM 965 C ASN A 145 6.135 10.522 -12.274 1.00 0.00 C ATOM 966 O ASN A 145 5.209 10.006 -11.652 1.00 0.00 O ATOM 967 CB ASN A 145 5.737 12.652 -13.659 1.00 0.00 C ATOM 968 CG ASN A 145 7.081 13.376 -13.566 1.00 0.00 C ATOM 969 OD1 ASN A 145 8.127 12.771 -13.348 1.00 0.00 O ATOM 970 ND2 ASN A 145 7.087 14.688 -13.727 1.00 0.00 N ATOM 0 H ASN A 145 3.890 10.529 -13.332 1.00 0.00 H new ATOM 0 HA ASN A 145 6.675 10.879 -14.333 1.00 0.00 H new ATOM 0 HB2 ASN A 145 5.227 12.970 -14.568 1.00 0.00 H new ATOM 0 HB3 ASN A 145 5.113 12.958 -12.820 1.00 0.00 H new ATOM 0 HD21 ASN A 145 7.965 15.205 -13.670 1.00 0.00 H new ATOM 0 HD22 ASN A 145 6.214 15.184 -13.908 1.00 0.00 H new ATOM 977 N ALA A 146 7.367 10.590 -11.763 1.00 0.00 N ATOM 978 CA ALA A 146 7.782 9.859 -10.557 1.00 0.00 C ATOM 979 C ALA A 146 8.351 10.754 -9.444 1.00 0.00 C ATOM 980 O ALA A 146 9.047 10.256 -8.556 1.00 0.00 O ATOM 981 CB ALA A 146 8.762 8.758 -10.984 1.00 0.00 C ATOM 0 H ALA A 146 8.110 11.155 -12.174 1.00 0.00 H new ATOM 0 HA ALA A 146 6.896 9.418 -10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 146 9.086 8.199 -10.106 1.00 0.00 H new ATOM 0 HB2 ALA A 146 8.268 8.082 -11.682 1.00 0.00 H new ATOM 0 HB3 ALA A 146 9.628 9.210 -11.467 1.00 0.00 H new ATOM 987 N ARG A 147 8.093 12.070 -9.481 1.00 0.00 N ATOM 988 CA ARG A 147 8.651 12.993 -8.484 1.00 0.00 C ATOM 989 C ARG A 147 7.876 12.973 -7.158 1.00 0.00 C ATOM 990 O ARG A 147 8.416 13.445 -6.154 1.00 0.00 O ATOM 991 CB ARG A 147 8.746 14.425 -9.051 1.00 0.00 C ATOM 992 CG ARG A 147 10.049 14.683 -9.828 1.00 0.00 C ATOM 993 CD ARG A 147 10.146 13.927 -11.159 1.00 0.00 C ATOM 994 NE ARG A 147 11.438 14.180 -11.826 1.00 0.00 N ATOM 995 CZ ARG A 147 11.768 13.826 -13.076 1.00 0.00 C ATOM 996 NH1 ARG A 147 10.896 13.206 -13.869 1.00 0.00 N ATOM 997 NH2 ARG A 147 12.988 14.096 -13.535 1.00 0.00 N ATOM 0 H ARG A 147 7.506 12.516 -10.186 1.00 0.00 H new ATOM 0 HA ARG A 147 9.658 12.642 -8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 147 7.896 14.606 -9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 147 8.672 15.139 -8.231 1.00 0.00 H new ATOM 0 HG2 ARG A 147 10.138 15.752 -10.023 1.00 0.00 H new ATOM 0 HG3 ARG A 147 10.895 14.402 -9.201 1.00 0.00 H new ATOM 0 HD2 ARG A 147 10.029 12.858 -10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 147 9.330 14.233 -11.814 1.00 0.00 H new ATOM 0 HE ARG A 147 12.148 14.672 -11.284 1.00 0.00 H new ATOM 0 HH11 ARG A 147 9.959 12.993 -13.528 1.00 0.00 H new ATOM 0 HH12 ARG A 147 11.165 12.944 -14.817 1.00 0.00 H new ATOM 0 HH21 ARG A 147 13.665 14.569 -12.937 1.00 0.00 H new ATOM 0 HH22 ARG A 147 13.246 13.829 -14.485 1.00 0.00 H new ATOM 1011 N GLY A 200 6.637 12.467 -7.127 1.00 0.00 N ATOM 1012 CA GLY A 200 5.844 12.431 -5.901 1.00 0.00 C ATOM 1013 C GLY A 200 6.287 11.338 -4.933 1.00 0.00 C ATOM 1014 O GLY A 200 7.172 10.524 -5.222 1.00 0.00 O ATOM 0 H GLY A 200 6.164 12.077 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 200 5.912 13.398 -5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 200 4.796 12.278 -6.158 1.00 0.00 H new ATOM 1018 N SER A 201 5.629 11.353 -3.774 1.00 0.00 N ATOM 1019 CA SER A 201 5.949 10.589 -2.576 1.00 0.00 C ATOM 1020 C SER A 201 4.635 10.314 -1.831 1.00 0.00 C ATOM 1021 O SER A 201 3.622 10.952 -2.123 1.00 0.00 O ATOM 1022 CB SER A 201 6.886 11.463 -1.727 1.00 0.00 C ATOM 1023 OG SER A 201 8.177 11.565 -2.315 1.00 0.00 O ATOM 0 H SER A 201 4.805 11.939 -3.642 1.00 0.00 H new ATOM 0 HA SER A 201 6.434 9.639 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 201 6.456 12.458 -1.616 1.00 0.00 H new ATOM 0 HB3 SER A 201 6.973 11.040 -0.726 1.00 0.00 H new ATOM 0 HG SER A 201 8.749 12.128 -1.753 1.00 0.00 H new ATOM 1029 N ARG A 363 4.615 9.363 -0.888 1.00 0.00 N ATOM 1030 CA ARG A 363 3.384 8.995 -0.172 1.00 0.00 C ATOM 1031 C ARG A 363 2.821 10.186 0.617 1.00 0.00 C ATOM 1032 O ARG A 363 3.560 10.850 1.349 1.00 0.00 O ATOM 1033 CB ARG A 363 3.604 7.745 0.701 1.00 0.00 C ATOM 1034 CG ARG A 363 4.572 7.900 1.889 1.00 0.00 C ATOM 1035 CD ARG A 363 4.889 6.547 2.544 1.00 0.00 C ATOM 1036 NE ARG A 363 3.679 5.867 3.048 1.00 0.00 N ATOM 1037 CZ ARG A 363 3.130 5.975 4.264 1.00 0.00 C ATOM 1038 NH1 ARG A 363 3.669 6.760 5.196 1.00 0.00 N ATOM 1039 NH2 ARG A 363 2.026 5.283 4.531 1.00 0.00 N ATOM 0 H ARG A 363 5.438 8.833 -0.602 1.00 0.00 H new ATOM 0 HA ARG A 363 2.625 8.729 -0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 363 2.637 7.424 1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 363 3.973 6.943 0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 363 5.497 8.364 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 363 4.135 8.569 2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 363 5.388 5.904 1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 363 5.586 6.700 3.368 1.00 0.00 H new ATOM 0 HE ARG A 363 3.207 5.243 2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 363 4.514 7.292 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 363 3.236 6.829 6.117 1.00 0.00 H new ATOM 0 HH21 ARG A 363 1.614 4.684 3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 363 1.592 5.351 5.451 1.00 0.00 H new ATOM 1053 N ALA A 364 1.515 10.436 0.479 1.00 0.00 N ATOM 1054 CA ALA A 364 0.739 11.443 1.204 1.00 0.00 C ATOM 1055 C ALA A 364 -0.754 11.077 1.094 1.00 0.00 C ATOM 1056 O ALA A 364 -1.096 10.020 0.556 1.00 0.00 O ATOM 1057 CB ALA A 364 1.041 12.837 0.627 1.00 0.00 C ATOM 0 H ALA A 364 0.940 9.910 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 364 1.010 11.465 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 364 0.463 13.587 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 364 2.104 13.052 0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 364 0.770 12.860 -0.428 1.00 0.00 H new ATOM 1063 N HIS A 365 -1.646 11.955 1.559 1.00 0.00 N ATOM 1064 CA HIS A 365 -3.098 11.799 1.452 1.00 0.00 C ATOM 1065 C HIS A 365 -3.765 13.166 1.282 1.00 0.00 C ATOM 1066 O HIS A 365 -3.111 14.194 1.469 1.00 0.00 O ATOM 1067 CB HIS A 365 -3.641 11.080 2.699 1.00 0.00 C ATOM 1068 CG HIS A 365 -3.431 11.838 3.991 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -4.300 12.801 4.517 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -2.364 11.692 4.832 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -3.728 13.216 5.664 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -2.568 12.569 5.876 1.00 0.00 N ATOM 0 H HIS A 365 -1.371 12.816 2.032 1.00 0.00 H new ATOM 0 HA HIS A 365 -3.328 11.194 0.575 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -4.708 10.900 2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -3.161 10.105 2.781 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -1.527 11.022 4.704 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -4.143 13.965 6.322 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -1.946 12.704 6.673 1.00 0.00 H new ATOM 1080 N SER A 366 -5.057 13.170 0.940 1.00 0.00 N ATOM 1081 CA SER A 366 -5.873 14.371 0.768 1.00 0.00 C ATOM 1082 C SER A 366 -7.233 14.160 1.454 1.00 0.00 C ATOM 1083 O SER A 366 -7.632 13.019 1.719 1.00 0.00 O ATOM 1084 CB SER A 366 -6.045 14.679 -0.726 1.00 0.00 C ATOM 1085 OG SER A 366 -4.793 14.711 -1.400 1.00 0.00 O ATOM 0 H SER A 366 -5.578 12.310 0.770 1.00 0.00 H new ATOM 0 HA SER A 366 -5.379 15.226 1.230 1.00 0.00 H new ATOM 0 HB2 SER A 366 -6.686 13.925 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 366 -6.548 15.639 -0.845 1.00 0.00 H new ATOM 0 HG SER A 366 -4.937 14.908 -2.349 1.00 0.00 H new ATOM 1091 N SER A 367 -7.958 15.250 1.724 1.00 0.00 N ATOM 1092 CA SER A 367 -9.155 15.234 2.564 1.00 0.00 C ATOM 1093 C SER A 367 -10.477 15.380 1.797 1.00 0.00 C ATOM 1094 O SER A 367 -11.504 14.909 2.293 1.00 0.00 O ATOM 1095 CB SER A 367 -9.000 16.344 3.618 1.00 0.00 C ATOM 1096 OG SER A 367 -8.471 17.539 3.047 1.00 0.00 O ATOM 0 H SER A 367 -7.727 16.175 1.362 1.00 0.00 H new ATOM 0 HA SER A 367 -9.224 14.249 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 367 -9.969 16.554 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 367 -8.343 15.999 4.416 1.00 0.00 H new ATOM 0 HG SER A 367 -8.387 18.224 3.742 1.00 0.00 H new ATOM 1102 N HIS A 368 -10.494 16.009 0.611 1.00 0.00 N ATOM 1103 CA HIS A 368 -11.739 16.173 -0.144 1.00 0.00 C ATOM 1104 C HIS A 368 -12.139 14.829 -0.758 1.00 0.00 C ATOM 1105 O HIS A 368 -11.318 14.185 -1.421 1.00 0.00 O ATOM 1106 CB HIS A 368 -11.621 17.252 -1.230 1.00 0.00 C ATOM 1107 CG HIS A 368 -12.984 17.639 -1.761 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -13.841 18.574 -1.169 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -13.584 17.138 -2.882 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -14.938 18.609 -1.947 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -14.809 17.760 -2.982 1.00 0.00 N ATOM 0 H HIS A 368 -9.669 16.407 0.162 1.00 0.00 H new ATOM 0 HA HIS A 368 -12.513 16.507 0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -11.123 18.131 -0.821 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -11.000 16.885 -2.047 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -13.178 16.399 -3.557 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -15.802 19.232 -1.766 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -15.500 17.603 -3.716 1.00 0.00 H new ATOM 1119 N LEU A 369 -13.388 14.405 -0.554 1.00 0.00 N ATOM 1120 CA LEU A 369 -13.973 13.206 -1.143 1.00 0.00 C ATOM 1121 C LEU A 369 -15.500 13.335 -1.179 1.00 0.00 C ATOM 1122 O LEU A 369 -16.064 14.319 -0.693 1.00 0.00 O ATOM 1123 CB LEU A 369 -13.480 11.919 -0.438 1.00 0.00 C ATOM 1124 CG LEU A 369 -13.530 11.857 1.101 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -14.948 11.923 1.683 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -12.865 10.550 1.556 1.00 0.00 C ATOM 0 H LEU A 369 -14.040 14.907 0.048 1.00 0.00 H new ATOM 0 HA LEU A 369 -13.632 13.114 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -14.067 11.085 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -12.447 11.749 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 369 -13.004 12.737 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -14.898 11.874 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -15.421 12.858 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -15.534 11.084 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -12.891 10.488 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -13.402 9.702 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -11.830 10.531 1.216 1.00 0.00 H new HETATM 1138 N M2L A 370 -16.157 12.352 -1.803 1.00 0.00 N HETATM 1139 CA M2L A 370 -17.582 12.390 -2.130 1.00 0.00 C HETATM 1140 CB M2L A 370 -17.925 11.225 -3.073 1.00 0.00 C HETATM 1141 SG M2L A 370 -16.819 10.988 -4.112 1.00 0.00 S HETATM 1142 CD M2L A 370 -16.912 9.646 -4.852 1.00 0.00 C HETATM 1143 CE M2L A 370 -18.051 9.581 -5.886 1.00 0.00 C HETATM 1144 NZ M2L A 370 -17.758 10.316 -7.157 1.00 0.00 N HETATM 1145 CM1 M2L A 370 -17.608 11.802 -7.056 1.00 0.00 C HETATM 1146 CM2 M2L A 370 -18.717 9.956 -8.251 1.00 0.00 C HETATM 1147 C M2L A 370 -18.456 12.310 -0.872 1.00 0.00 C HETATM 1148 O M2L A 370 -18.022 11.809 0.166 1.00 0.00 O HETATM 0 HM2B M2L A 370 -18.652 8.887 -8.455 1.00 0.00 H new HETATM 0 HM2A M2L A 370 -19.732 10.205 -7.942 1.00 0.00 H new HETATM 0 HM1B M2L A 370 -18.531 12.235 -6.670 1.00 0.00 H new HETATM 0 HM1A M2L A 370 -16.786 12.040 -6.381 1.00 0.00 H new HETATM 0 HN M2L A 370 -15.563 11.620 -2.194 1.00 0.00 H new HETATM 0 HM2 M2L A 370 -18.466 10.513 -9.153 1.00 0.00 H new HETATM 0 HM1 M2L A 370 -17.398 12.214 -8.043 1.00 0.00 H new HETATM 0 HEA M2L A 370 -18.257 8.537 -6.121 1.00 0.00 H new HETATM 0 HE M2L A 370 -18.957 9.992 -5.441 1.00 0.00 H new HETATM 0 HDA M2L A 370 -15.965 9.454 -5.357 1.00 0.00 H new HETATM 0 HD M2L A 370 -17.051 8.849 -4.122 1.00 0.00 H new HETATM 0 HBA M2L A 370 -18.076 10.317 -2.489 1.00 0.00 H new HETATM 0 HB M2L A 370 -18.865 11.435 -3.584 1.00 0.00 H new HETATM 0 HA M2L A 370 -17.789 13.341 -2.620 1.00 0.00 H new ATOM 1164 N SER A 371 -19.715 12.744 -0.998 1.00 0.00 N ATOM 1165 CA SER A 371 -20.704 12.762 0.081 1.00 0.00 C ATOM 1166 C SER A 371 -21.118 11.361 0.569 1.00 0.00 C ATOM 1167 O SER A 371 -21.674 11.232 1.663 1.00 0.00 O ATOM 1168 CB SER A 371 -21.946 13.534 -0.399 1.00 0.00 C ATOM 1169 OG SER A 371 -21.584 14.763 -1.021 1.00 0.00 O ATOM 0 H SER A 371 -20.083 13.102 -1.879 1.00 0.00 H new ATOM 0 HA SER A 371 -20.237 13.252 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 371 -22.509 12.920 -1.102 1.00 0.00 H new ATOM 0 HB3 SER A 371 -22.603 13.732 0.448 1.00 0.00 H new ATOM 0 HG SER A 371 -22.393 15.230 -1.317 1.00 0.00 H new ATOM 1175 N LYS A 372 -20.832 10.310 -0.220 1.00 0.00 N ATOM 1176 CA LYS A 372 -21.227 8.927 0.070 1.00 0.00 C ATOM 1177 C LYS A 372 -20.060 7.933 -0.034 1.00 0.00 C ATOM 1178 O LYS A 372 -20.296 6.721 -0.068 1.00 0.00 O ATOM 1179 CB LYS A 372 -22.438 8.539 -0.805 1.00 0.00 C ATOM 1180 CG LYS A 372 -22.138 8.461 -2.314 1.00 0.00 C ATOM 1181 CD LYS A 372 -23.372 7.986 -3.100 1.00 0.00 C ATOM 1182 CE LYS A 372 -23.032 7.824 -4.591 1.00 0.00 C ATOM 1183 NZ LYS A 372 -24.192 7.337 -5.383 1.00 0.00 N ATOM 0 H LYS A 372 -20.311 10.404 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 372 -21.534 8.871 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 372 -22.816 7.572 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 372 -23.235 9.265 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 372 -21.827 9.440 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 372 -21.307 7.777 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 372 -23.724 7.037 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 372 -24.184 8.704 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 372 -22.697 8.781 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 372 -22.202 7.126 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 -23.859 6.971 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 -24.674 6.577 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 -24.856 8.121 -5.545 1.00 0.00 H new ATOM 1197 N LYS A 373 -18.809 8.411 -0.115 1.00 0.00 N ATOM 1198 CA LYS A 373 -17.648 7.515 -0.103 1.00 0.00 C ATOM 1199 C LYS A 373 -17.612 6.799 1.254 1.00 0.00 C ATOM 1200 O LYS A 373 -17.936 7.397 2.286 1.00 0.00 O ATOM 1201 CB LYS A 373 -16.356 8.314 -0.382 1.00 0.00 C ATOM 1202 CG LYS A 373 -15.057 7.483 -0.407 1.00 0.00 C ATOM 1203 CD LYS A 373 -15.045 6.366 -1.471 1.00 0.00 C ATOM 1204 CE LYS A 373 -13.718 5.582 -1.540 1.00 0.00 C ATOM 1205 NZ LYS A 373 -13.398 4.838 -0.287 1.00 0.00 N ATOM 0 H LYS A 373 -18.579 9.402 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 373 -17.725 6.765 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -16.462 8.820 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -16.257 9.089 0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -14.214 8.151 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -14.905 7.036 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -15.857 5.669 -1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -15.247 6.806 -2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -13.765 4.877 -2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -12.906 6.276 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -12.560 4.242 -0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -13.205 5.515 0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -14.206 4.238 -0.024 1.00 0.00 H new ATOM 1219 N GLY A 374 -17.185 5.539 1.258 1.00 0.00 N ATOM 1220 CA GLY A 374 -16.957 4.729 2.443 1.00 0.00 C ATOM 1221 C GLY A 374 -16.228 3.462 2.018 1.00 0.00 C ATOM 1222 O GLY A 374 -16.436 2.412 2.663 1.00 0.00 O ATOM 1223 OXT GLY A 374 -15.464 3.523 1.024 1.00 0.00 O ATOM 0 H GLY A 374 -16.980 5.036 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 374 -16.366 5.281 3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 374 -17.904 4.481 2.922 1.00 0.00 H new TER 1227 GLY A 374