USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.883 (180deg=0.115) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 4 GLN : amide:sc= -0.0857 K(o=-0.086,f=-3.1!) USER MOD Single : A 6 SER OG : rot -53:sc= 0.871 USER MOD Single : A 7 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.5) USER MOD Single : A 13 TYR OH : rot -28:sc= 0.78 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -160:sc= -0.0211 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= -0.282 (180deg=-1.29!) USER MOD Single : A 37 SER OG : rot 180:sc= 0.15 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 48:sc= 1.12 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 52 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.16) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 57 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 59 CYS SG : rot -20:sc= -1.32 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.012) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.38) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -155:sc= -0.145 (180deg=-0.697) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0915 X(o=-0.091,f=0.0018) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.630 6.061 1.187 1.00 32.41 N ATOM 2 CA MET A 1 -13.835 5.383 0.170 1.00 44.11 C ATOM 3 C MET A 1 -12.454 6.019 0.046 1.00 13.40 C ATOM 4 O MET A 1 -12.271 7.192 0.374 1.00 25.30 O ATOM 5 CB MET A 1 -14.553 5.424 -1.181 1.00 43.41 C ATOM 6 CG MET A 1 -15.857 4.645 -1.201 1.00 24.51 C ATOM 7 SD MET A 1 -17.268 5.637 -0.677 1.00 31.12 S ATOM 8 CE MET A 1 -18.608 4.471 -0.912 1.00 5.03 C ATOM 0 H1 MET A 1 -15.612 6.150 0.857 1.00 32.41 H new ATOM 0 H2 MET A 1 -14.609 5.510 2.069 1.00 32.41 H new ATOM 0 H3 MET A 1 -14.236 7.008 1.361 1.00 32.41 H new ATOM 0 HA MET A 1 -13.710 4.344 0.475 1.00 44.11 H new ATOM 0 HB2 MET A 1 -14.756 6.462 -1.444 1.00 43.41 H new ATOM 0 HB3 MET A 1 -13.889 5.025 -1.948 1.00 43.41 H new ATOM 0 HG2 MET A 1 -16.036 4.270 -2.209 1.00 24.51 H new ATOM 0 HG3 MET A 1 -15.767 3.776 -0.549 1.00 24.51 H new ATOM 0 HE1 MET A 1 -19.551 4.939 -0.630 1.00 5.03 H new ATOM 0 HE2 MET A 1 -18.651 4.172 -1.959 1.00 5.03 H new ATOM 0 HE3 MET A 1 -18.439 3.592 -0.290 1.00 5.03 H new ATOM 18 N GLN A 2 -11.488 5.240 -0.430 1.00 34.12 N ATOM 19 CA GLN A 2 -10.125 5.729 -0.596 1.00 51.02 C ATOM 20 C GLN A 2 -9.584 5.374 -1.977 1.00 40.15 C ATOM 21 O GLN A 2 -9.067 6.234 -2.690 1.00 70.42 O ATOM 22 CB GLN A 2 -9.216 5.145 0.487 1.00 53.12 C ATOM 23 CG GLN A 2 -7.941 5.943 0.706 1.00 41.11 C ATOM 24 CD GLN A 2 -7.262 5.609 2.020 1.00 74.03 C ATOM 25 OE1 GLN A 2 -7.807 5.864 3.095 1.00 1.21 O ATOM 26 NE2 GLN A 2 -6.067 5.037 1.941 1.00 33.35 N ATOM 0 H GLN A 2 -11.624 4.268 -0.707 1.00 34.12 H new ATOM 0 HA GLN A 2 -10.141 6.815 -0.500 1.00 51.02 H new ATOM 0 HB2 GLN A 2 -9.769 5.094 1.425 1.00 53.12 H new ATOM 0 HB3 GLN A 2 -8.953 4.122 0.216 1.00 53.12 H new ATOM 0 HG2 GLN A 2 -7.250 5.750 -0.115 1.00 41.11 H new ATOM 0 HG3 GLN A 2 -8.174 7.007 0.682 1.00 41.11 H new ATOM 0 HE21 GLN A 2 -5.653 4.844 1.029 1.00 33.35 H new ATOM 0 HE22 GLN A 2 -5.562 4.790 2.792 1.00 33.35 H new ATOM 35 N GLU A 3 -9.706 4.103 -2.346 1.00 43.24 N ATOM 36 CA GLU A 3 -9.227 3.636 -3.642 1.00 34.43 C ATOM 37 C GLU A 3 -10.363 3.600 -4.661 1.00 64.13 C ATOM 38 O GLU A 3 -11.117 2.629 -4.731 1.00 1.30 O ATOM 39 CB GLU A 3 -8.604 2.245 -3.509 1.00 23.20 C ATOM 40 CG GLU A 3 -7.147 2.270 -3.075 1.00 73.44 C ATOM 41 CD GLU A 3 -6.671 0.929 -2.552 1.00 71.03 C ATOM 42 OE1 GLU A 3 -6.399 0.032 -3.378 1.00 51.42 O ATOM 43 OE2 GLU A 3 -6.569 0.776 -1.318 1.00 35.05 O ATOM 0 H GLU A 3 -10.132 3.379 -1.767 1.00 43.24 H new ATOM 0 HA GLU A 3 -8.468 4.335 -3.993 1.00 34.43 H new ATOM 0 HB2 GLU A 3 -9.180 1.666 -2.787 1.00 23.20 H new ATOM 0 HB3 GLU A 3 -8.681 1.729 -4.466 1.00 23.20 H new ATOM 0 HG2 GLU A 3 -6.525 2.568 -3.919 1.00 73.44 H new ATOM 0 HG3 GLU A 3 -7.015 3.025 -2.300 1.00 73.44 H new ATOM 50 N GLN A 4 -10.478 4.665 -5.448 1.00 24.00 N ATOM 51 CA GLN A 4 -11.521 4.756 -6.462 1.00 12.01 C ATOM 52 C GLN A 4 -10.983 4.365 -7.834 1.00 24.31 C ATOM 53 O GLN A 4 -9.898 4.789 -8.230 1.00 43.54 O ATOM 54 CB GLN A 4 -12.092 6.175 -6.510 1.00 30.24 C ATOM 55 CG GLN A 4 -13.240 6.335 -7.494 1.00 44.10 C ATOM 56 CD GLN A 4 -14.473 5.553 -7.086 1.00 21.32 C ATOM 57 OE1 GLN A 4 -14.535 4.335 -7.261 1.00 1.11 O ATOM 58 NE2 GLN A 4 -15.462 6.248 -6.538 1.00 10.21 N ATOM 0 H GLN A 4 -9.862 5.476 -5.403 1.00 24.00 H new ATOM 0 HA GLN A 4 -12.316 4.061 -6.193 1.00 12.01 H new ATOM 0 HB2 GLN A 4 -12.437 6.453 -5.514 1.00 30.24 H new ATOM 0 HB3 GLN A 4 -11.296 6.870 -6.777 1.00 30.24 H new ATOM 0 HG2 GLN A 4 -13.496 7.391 -7.579 1.00 44.10 H new ATOM 0 HG3 GLN A 4 -12.916 6.005 -8.481 1.00 44.10 H new ATOM 0 HE21 GLN A 4 -15.368 7.256 -6.412 1.00 10.21 H new ATOM 0 HE22 GLN A 4 -16.316 5.774 -6.243 1.00 10.21 H new ATOM 67 N VAL A 5 -11.749 3.553 -8.555 1.00 71.33 N ATOM 68 CA VAL A 5 -11.349 3.104 -9.884 1.00 55.15 C ATOM 69 C VAL A 5 -12.503 3.222 -10.874 1.00 14.43 C ATOM 70 O VAL A 5 -13.592 3.677 -10.523 1.00 34.42 O ATOM 71 CB VAL A 5 -10.856 1.645 -9.859 1.00 53.52 C ATOM 72 CG1 VAL A 5 -9.584 1.527 -9.033 1.00 75.54 C ATOM 73 CG2 VAL A 5 -11.941 0.725 -9.320 1.00 44.50 C ATOM 0 H VAL A 5 -12.650 3.192 -8.242 1.00 71.33 H new ATOM 0 HA VAL A 5 -10.532 3.750 -10.204 1.00 55.15 H new ATOM 0 HB VAL A 5 -10.628 1.338 -10.880 1.00 53.52 H new ATOM 0 HG11 VAL A 5 -9.250 0.490 -9.026 1.00 75.54 H new ATOM 0 HG12 VAL A 5 -8.807 2.156 -9.469 1.00 75.54 H new ATOM 0 HG13 VAL A 5 -9.782 1.851 -8.011 1.00 75.54 H new ATOM 0 HG21 VAL A 5 -11.575 -0.302 -9.309 1.00 44.50 H new ATOM 0 HG22 VAL A 5 -12.204 1.027 -8.306 1.00 44.50 H new ATOM 0 HG23 VAL A 5 -12.823 0.790 -9.958 1.00 44.50 H new ATOM 83 N SER A 6 -12.257 2.811 -12.113 1.00 24.41 N ATOM 84 CA SER A 6 -13.275 2.872 -13.155 1.00 44.15 C ATOM 85 C SER A 6 -13.366 1.547 -13.905 1.00 64.13 C ATOM 86 O SER A 6 -13.341 1.513 -15.135 1.00 35.42 O ATOM 87 CB SER A 6 -12.961 4.005 -14.136 1.00 73.31 C ATOM 88 OG SER A 6 -13.918 4.054 -15.180 1.00 34.25 O ATOM 0 H SER A 6 -11.361 2.432 -12.420 1.00 24.41 H new ATOM 0 HA SER A 6 -14.236 3.066 -12.679 1.00 44.15 H new ATOM 0 HB2 SER A 6 -12.948 4.957 -13.605 1.00 73.31 H new ATOM 0 HB3 SER A 6 -11.966 3.861 -14.557 1.00 73.31 H new ATOM 0 HG SER A 6 -13.996 3.169 -15.594 1.00 34.25 H new ATOM 94 N ASN A 7 -13.471 0.455 -13.154 1.00 11.10 N ATOM 95 CA ASN A 7 -13.566 -0.874 -13.746 1.00 12.12 C ATOM 96 C ASN A 7 -14.212 -1.858 -12.774 1.00 65.04 C ATOM 97 O ASN A 7 -14.140 -1.683 -11.557 1.00 43.14 O ATOM 98 CB ASN A 7 -12.178 -1.375 -14.150 1.00 21.11 C ATOM 99 CG ASN A 7 -11.167 -1.246 -13.027 1.00 13.13 C ATOM 100 OD1 ASN A 7 -10.679 -0.153 -12.739 1.00 12.42 O ATOM 101 ND2 ASN A 7 -10.849 -2.364 -12.386 1.00 5.12 N ATOM 0 H ASN A 7 -13.492 0.465 -12.134 1.00 11.10 H new ATOM 0 HA ASN A 7 -14.193 -0.805 -14.635 1.00 12.12 H new ATOM 0 HB2 ASN A 7 -12.246 -2.419 -14.455 1.00 21.11 H new ATOM 0 HB3 ASN A 7 -11.829 -0.812 -15.016 1.00 21.11 H new ATOM 0 HD21 ASN A 7 -10.175 -2.339 -11.621 1.00 5.12 H new ATOM 0 HD22 ASN A 7 -11.279 -3.248 -12.659 1.00 5.12 H new ATOM 108 N VAL A 8 -14.841 -2.894 -13.320 1.00 54.03 N ATOM 109 CA VAL A 8 -15.498 -3.906 -12.503 1.00 11.02 C ATOM 110 C VAL A 8 -14.914 -5.290 -12.767 1.00 11.21 C ATOM 111 O VAL A 8 -14.054 -5.456 -13.632 1.00 5.54 O ATOM 112 CB VAL A 8 -17.015 -3.942 -12.765 1.00 23.24 C ATOM 113 CG1 VAL A 8 -17.678 -2.678 -12.242 1.00 43.44 C ATOM 114 CG2 VAL A 8 -17.294 -4.126 -14.250 1.00 1.34 C ATOM 0 H VAL A 8 -14.909 -3.054 -14.325 1.00 54.03 H new ATOM 0 HA VAL A 8 -15.324 -3.634 -11.462 1.00 11.02 H new ATOM 0 HB VAL A 8 -17.439 -4.792 -12.231 1.00 23.24 H new ATOM 0 HG11 VAL A 8 -18.750 -2.722 -12.436 1.00 43.44 H new ATOM 0 HG12 VAL A 8 -17.507 -2.595 -11.169 1.00 43.44 H new ATOM 0 HG13 VAL A 8 -17.253 -1.809 -12.745 1.00 43.44 H new ATOM 0 HG21 VAL A 8 -18.371 -4.149 -14.418 1.00 1.34 H new ATOM 0 HG22 VAL A 8 -16.858 -3.297 -14.808 1.00 1.34 H new ATOM 0 HG23 VAL A 8 -16.854 -5.063 -14.590 1.00 1.34 H new ATOM 124 N ARG A 9 -15.388 -6.279 -12.018 1.00 12.12 N ATOM 125 CA ARG A 9 -14.912 -7.649 -12.170 1.00 53.45 C ATOM 126 C ARG A 9 -16.068 -8.640 -12.073 1.00 73.42 C ATOM 127 O ARG A 9 -17.069 -8.378 -11.405 1.00 65.40 O ATOM 128 CB ARG A 9 -13.862 -7.969 -11.106 1.00 13.12 C ATOM 129 CG ARG A 9 -12.495 -7.372 -11.400 1.00 14.12 C ATOM 130 CD ARG A 9 -12.372 -5.963 -10.841 1.00 5.42 C ATOM 131 NE ARG A 9 -10.996 -5.642 -10.466 1.00 75.05 N ATOM 132 CZ ARG A 9 -10.669 -4.626 -9.675 1.00 43.14 C ATOM 133 NH1 ARG A 9 -11.611 -3.837 -9.179 1.00 3.14 N ATOM 134 NH2 ARG A 9 -9.395 -4.399 -9.380 1.00 41.43 N ATOM 0 H ARG A 9 -16.102 -6.158 -11.299 1.00 12.12 H new ATOM 0 HA ARG A 9 -14.458 -7.741 -13.157 1.00 53.45 H new ATOM 0 HB2 ARG A 9 -14.210 -7.600 -10.141 1.00 13.12 H new ATOM 0 HB3 ARG A 9 -13.765 -9.051 -11.017 1.00 13.12 H new ATOM 0 HG2 ARG A 9 -11.720 -8.005 -10.969 1.00 14.12 H new ATOM 0 HG3 ARG A 9 -12.329 -7.353 -12.477 1.00 14.12 H new ATOM 0 HD2 ARG A 9 -12.722 -5.246 -11.584 1.00 5.42 H new ATOM 0 HD3 ARG A 9 -13.019 -5.861 -9.970 1.00 5.42 H new ATOM 0 HE ARG A 9 -10.247 -6.230 -10.831 1.00 75.05 H new ATOM 0 HH11 ARG A 9 -12.591 -4.009 -9.404 1.00 3.14 H new ATOM 0 HH12 ARG A 9 -11.356 -3.058 -8.572 1.00 3.14 H new ATOM 0 HH21 ARG A 9 -8.668 -5.004 -9.761 1.00 41.43 H new ATOM 0 HH22 ARG A 9 -9.143 -3.619 -8.773 1.00 41.43 H new ATOM 148 N ALA A 10 -15.925 -9.778 -12.746 1.00 2.33 N ATOM 149 CA ALA A 10 -16.955 -10.808 -12.734 1.00 30.22 C ATOM 150 C ALA A 10 -16.575 -11.954 -11.802 1.00 72.11 C ATOM 151 O ALA A 10 -15.436 -12.421 -11.809 1.00 54.21 O ATOM 152 CB ALA A 10 -17.197 -11.329 -14.142 1.00 40.23 C ATOM 0 H ALA A 10 -15.105 -10.009 -13.306 1.00 2.33 H new ATOM 0 HA ALA A 10 -17.876 -10.361 -12.361 1.00 30.22 H new ATOM 0 HB1 ALA A 10 -17.969 -12.098 -14.118 1.00 40.23 H new ATOM 0 HB2 ALA A 10 -17.522 -10.509 -14.783 1.00 40.23 H new ATOM 0 HB3 ALA A 10 -16.274 -11.754 -14.536 1.00 40.23 H new ATOM 158 N ARG A 11 -17.537 -12.402 -11.001 1.00 3.34 N ATOM 159 CA ARG A 11 -17.301 -13.492 -10.062 1.00 33.52 C ATOM 160 C ARG A 11 -18.036 -14.756 -10.501 1.00 50.43 C ATOM 161 O ARG A 11 -19.250 -14.871 -10.329 1.00 51.02 O ATOM 162 CB ARG A 11 -17.753 -13.090 -8.657 1.00 43.10 C ATOM 163 CG ARG A 11 -17.144 -11.784 -8.173 1.00 0.23 C ATOM 164 CD ARG A 11 -17.666 -11.403 -6.795 1.00 61.44 C ATOM 165 NE ARG A 11 -16.777 -10.467 -6.113 1.00 11.30 N ATOM 166 CZ ARG A 11 -17.140 -9.740 -5.062 1.00 75.45 C ATOM 167 NH1 ARG A 11 -18.370 -9.843 -4.575 1.00 42.21 N ATOM 168 NH2 ARG A 11 -16.275 -8.910 -4.495 1.00 51.02 N ATOM 0 H ARG A 11 -18.486 -12.027 -10.984 1.00 3.34 H new ATOM 0 HA ARG A 11 -16.231 -13.700 -10.047 1.00 33.52 H new ATOM 0 HB2 ARG A 11 -18.839 -13.001 -8.645 1.00 43.10 H new ATOM 0 HB3 ARG A 11 -17.491 -13.885 -7.959 1.00 43.10 H new ATOM 0 HG2 ARG A 11 -16.059 -11.878 -8.139 1.00 0.23 H new ATOM 0 HG3 ARG A 11 -17.373 -10.989 -8.883 1.00 0.23 H new ATOM 0 HD2 ARG A 11 -18.656 -10.957 -6.893 1.00 61.44 H new ATOM 0 HD3 ARG A 11 -17.780 -12.302 -6.189 1.00 61.44 H new ATOM 0 HE ARG A 11 -15.824 -10.366 -6.463 1.00 11.30 H new ATOM 0 HH11 ARG A 11 -19.038 -10.481 -5.008 1.00 42.21 H new ATOM 0 HH12 ARG A 11 -18.647 -9.284 -3.768 1.00 42.21 H new ATOM 0 HH21 ARG A 11 -15.328 -8.829 -4.866 1.00 51.02 H new ATOM 0 HH22 ARG A 11 -16.556 -8.353 -3.688 1.00 51.02 H new ATOM 182 N ILE A 12 -17.292 -15.700 -11.068 1.00 50.22 N ATOM 183 CA ILE A 12 -17.872 -16.953 -11.530 1.00 21.50 C ATOM 184 C ILE A 12 -17.594 -18.085 -10.546 1.00 71.44 C ATOM 185 O ILE A 12 -16.497 -18.187 -9.996 1.00 65.13 O ATOM 186 CB ILE A 12 -17.328 -17.349 -12.916 1.00 52.23 C ATOM 187 CG1 ILE A 12 -17.614 -16.244 -13.935 1.00 75.03 C ATOM 188 CG2 ILE A 12 -17.939 -18.666 -13.369 1.00 61.01 C ATOM 189 CD1 ILE A 12 -16.797 -16.363 -15.202 1.00 72.03 C ATOM 0 H ILE A 12 -16.286 -15.620 -11.218 1.00 50.22 H new ATOM 0 HA ILE A 12 -18.948 -16.793 -11.602 1.00 21.50 H new ATOM 0 HB ILE A 12 -16.248 -17.479 -12.842 1.00 52.23 H new ATOM 0 HG12 ILE A 12 -18.673 -16.264 -14.192 1.00 75.03 H new ATOM 0 HG13 ILE A 12 -17.416 -15.276 -13.474 1.00 75.03 H new ATOM 0 HG21 ILE A 12 -17.545 -18.932 -14.350 1.00 61.01 H new ATOM 0 HG22 ILE A 12 -17.689 -19.449 -12.653 1.00 61.01 H new ATOM 0 HG23 ILE A 12 -19.022 -18.563 -13.430 1.00 61.01 H new ATOM 0 HD11 ILE A 12 -17.052 -15.547 -15.878 1.00 72.03 H new ATOM 0 HD12 ILE A 12 -15.736 -16.313 -14.957 1.00 72.03 H new ATOM 0 HD13 ILE A 12 -17.013 -17.316 -15.686 1.00 72.03 H new ATOM 201 N TYR A 13 -18.594 -18.932 -10.329 1.00 13.20 N ATOM 202 CA TYR A 13 -18.457 -20.056 -9.411 1.00 12.31 C ATOM 203 C TYR A 13 -19.149 -21.298 -9.963 1.00 60.24 C ATOM 204 O TYR A 13 -20.307 -21.247 -10.376 1.00 61.22 O ATOM 205 CB TYR A 13 -19.043 -19.699 -8.044 1.00 2.44 C ATOM 206 CG TYR A 13 -19.144 -20.876 -7.101 1.00 34.14 C ATOM 207 CD1 TYR A 13 -18.110 -21.799 -6.996 1.00 52.30 C ATOM 208 CD2 TYR A 13 -20.275 -21.069 -6.316 1.00 42.51 C ATOM 209 CE1 TYR A 13 -18.199 -22.877 -6.137 1.00 42.24 C ATOM 210 CE2 TYR A 13 -20.372 -22.143 -5.454 1.00 2.35 C ATOM 211 CZ TYR A 13 -19.331 -23.045 -5.368 1.00 51.21 C ATOM 212 OH TYR A 13 -19.423 -24.117 -4.510 1.00 52.01 O ATOM 0 H TYR A 13 -19.508 -18.861 -10.776 1.00 13.20 H new ATOM 0 HA TYR A 13 -17.395 -20.273 -9.299 1.00 12.31 H new ATOM 0 HB2 TYR A 13 -18.425 -18.928 -7.584 1.00 2.44 H new ATOM 0 HB3 TYR A 13 -20.035 -19.271 -8.184 1.00 2.44 H new ATOM 0 HD1 TYR A 13 -17.222 -21.671 -7.597 1.00 52.30 H new ATOM 0 HD2 TYR A 13 -21.092 -20.366 -6.382 1.00 42.51 H new ATOM 0 HE1 TYR A 13 -17.386 -23.585 -6.068 1.00 42.24 H new ATOM 0 HE2 TYR A 13 -21.258 -22.277 -4.850 1.00 2.35 H new ATOM 0 HH TYR A 13 -18.884 -24.859 -4.855 1.00 52.01 H new ATOM 222 N LYS A 14 -18.430 -22.415 -9.966 1.00 65.31 N ATOM 223 CA LYS A 14 -18.972 -23.674 -10.465 1.00 52.10 C ATOM 224 C LYS A 14 -19.915 -24.303 -9.444 1.00 43.14 C ATOM 225 O LYS A 14 -19.795 -24.088 -8.238 1.00 23.12 O ATOM 226 CB LYS A 14 -17.838 -24.647 -10.795 1.00 11.31 C ATOM 227 CG LYS A 14 -17.193 -25.269 -9.568 1.00 60.05 C ATOM 228 CD LYS A 14 -16.107 -26.260 -9.951 1.00 73.53 C ATOM 229 CE LYS A 14 -15.825 -27.240 -8.823 1.00 71.01 C ATOM 230 NZ LYS A 14 -15.321 -28.546 -9.334 1.00 42.54 N ATOM 0 H LYS A 14 -17.469 -22.475 -9.628 1.00 65.31 H new ATOM 0 HA LYS A 14 -19.536 -23.463 -11.373 1.00 52.10 H new ATOM 0 HB2 LYS A 14 -18.226 -25.441 -11.433 1.00 11.31 H new ATOM 0 HB3 LYS A 14 -17.075 -24.121 -11.369 1.00 11.31 H new ATOM 0 HG2 LYS A 14 -16.767 -24.484 -8.943 1.00 60.05 H new ATOM 0 HG3 LYS A 14 -17.954 -25.774 -8.972 1.00 60.05 H new ATOM 0 HD2 LYS A 14 -16.411 -26.808 -10.843 1.00 73.53 H new ATOM 0 HD3 LYS A 14 -15.194 -25.721 -10.203 1.00 73.53 H new ATOM 0 HE2 LYS A 14 -15.091 -26.809 -8.143 1.00 71.01 H new ATOM 0 HE3 LYS A 14 -16.736 -27.403 -8.247 1.00 71.01 H new ATOM 0 HZ1 LYS A 14 -15.141 -29.186 -8.534 1.00 42.54 H new ATOM 0 HZ2 LYS A 14 -16.032 -28.970 -9.963 1.00 42.54 H new ATOM 0 HZ3 LYS A 14 -14.438 -28.395 -9.862 1.00 42.54 H new ATOM 244 N PRO A 15 -20.874 -25.100 -9.936 1.00 32.32 N ATOM 245 CA PRO A 15 -21.855 -25.779 -9.083 1.00 5.12 C ATOM 246 C PRO A 15 -21.225 -26.888 -8.247 1.00 21.44 C ATOM 247 O PRO A 15 -20.155 -27.398 -8.578 1.00 55.33 O ATOM 248 CB PRO A 15 -22.851 -26.366 -10.086 1.00 15.15 C ATOM 249 CG PRO A 15 -22.072 -26.528 -11.344 1.00 60.51 C ATOM 250 CD PRO A 15 -21.076 -25.402 -11.363 1.00 74.22 C ATOM 0 HA PRO A 15 -22.307 -25.100 -8.361 1.00 5.12 H new ATOM 0 HB2 PRO A 15 -23.245 -27.321 -9.739 1.00 15.15 H new ATOM 0 HB3 PRO A 15 -23.704 -25.703 -10.231 1.00 15.15 H new ATOM 0 HG2 PRO A 15 -21.569 -27.494 -11.369 1.00 60.51 H new ATOM 0 HG3 PRO A 15 -22.725 -26.486 -12.216 1.00 60.51 H new ATOM 0 HD2 PRO A 15 -20.145 -25.697 -11.847 1.00 74.22 H new ATOM 0 HD3 PRO A 15 -21.457 -24.538 -11.906 1.00 74.22 H new ATOM 258 N ALA A 16 -21.897 -27.258 -7.160 1.00 61.25 N ATOM 259 CA ALA A 16 -21.405 -28.309 -6.279 1.00 11.45 C ATOM 260 C ALA A 16 -22.005 -29.661 -6.647 1.00 61.13 C ATOM 261 O ALA A 16 -23.187 -29.758 -6.979 1.00 74.13 O ATOM 262 CB ALA A 16 -21.715 -27.968 -4.828 1.00 23.30 C ATOM 0 H ALA A 16 -22.783 -26.845 -6.870 1.00 61.25 H new ATOM 0 HA ALA A 16 -20.324 -28.376 -6.403 1.00 11.45 H new ATOM 0 HB1 ALA A 16 -21.342 -28.761 -4.180 1.00 23.30 H new ATOM 0 HB2 ALA A 16 -21.232 -27.027 -4.564 1.00 23.30 H new ATOM 0 HB3 ALA A 16 -22.793 -27.871 -4.699 1.00 23.30 H new ATOM 268 N LYS A 17 -21.184 -30.704 -6.588 1.00 5.21 N ATOM 269 CA LYS A 17 -21.633 -32.051 -6.914 1.00 22.31 C ATOM 270 C LYS A 17 -22.445 -32.648 -5.768 1.00 41.44 C ATOM 271 O LYS A 17 -21.956 -32.765 -4.645 1.00 41.14 O ATOM 272 CB LYS A 17 -20.434 -32.950 -7.225 1.00 0.42 C ATOM 273 CG LYS A 17 -20.813 -34.390 -7.524 1.00 55.21 C ATOM 274 CD LYS A 17 -19.668 -35.144 -8.177 1.00 64.42 C ATOM 275 CE LYS A 17 -18.688 -35.675 -7.142 1.00 61.13 C ATOM 276 NZ LYS A 17 -19.184 -36.923 -6.497 1.00 42.43 N ATOM 0 H LYS A 17 -20.203 -30.641 -6.317 1.00 5.21 H new ATOM 0 HA LYS A 17 -22.272 -31.989 -7.795 1.00 22.31 H new ATOM 0 HB2 LYS A 17 -19.896 -32.540 -8.080 1.00 0.42 H new ATOM 0 HB3 LYS A 17 -19.748 -32.932 -6.378 1.00 0.42 H new ATOM 0 HG2 LYS A 17 -21.099 -34.891 -6.599 1.00 55.21 H new ATOM 0 HG3 LYS A 17 -21.683 -34.409 -8.180 1.00 55.21 H new ATOM 0 HD2 LYS A 17 -20.064 -35.973 -8.763 1.00 64.42 H new ATOM 0 HD3 LYS A 17 -19.145 -34.485 -8.870 1.00 64.42 H new ATOM 0 HE2 LYS A 17 -17.727 -35.870 -7.618 1.00 61.13 H new ATOM 0 HE3 LYS A 17 -18.518 -34.915 -6.379 1.00 61.13 H new ATOM 0 HZ1 LYS A 17 -18.488 -37.253 -5.798 1.00 42.43 H new ATOM 0 HZ2 LYS A 17 -20.089 -36.732 -6.021 1.00 42.43 H new ATOM 0 HZ3 LYS A 17 -19.322 -37.657 -7.221 1.00 42.43 H new ATOM 290 N SER A 18 -23.686 -33.022 -6.061 1.00 63.23 N ATOM 291 CA SER A 18 -24.566 -33.605 -5.054 1.00 53.41 C ATOM 292 C SER A 18 -24.706 -35.110 -5.259 1.00 43.52 C ATOM 293 O SER A 18 -24.439 -35.628 -6.344 1.00 23.54 O ATOM 294 CB SER A 18 -25.944 -32.941 -5.107 1.00 22.52 C ATOM 295 OG SER A 18 -26.736 -33.492 -6.145 1.00 62.02 O ATOM 0 H SER A 18 -24.105 -32.932 -6.987 1.00 63.23 H new ATOM 0 HA SER A 18 -24.122 -33.430 -4.074 1.00 53.41 H new ATOM 0 HB2 SER A 18 -26.451 -33.071 -4.151 1.00 22.52 H new ATOM 0 HB3 SER A 18 -25.829 -31.868 -5.264 1.00 22.52 H new ATOM 0 HG SER A 18 -27.458 -32.869 -6.371 1.00 62.02 H new ATOM 301 N THR A 19 -25.125 -35.807 -4.207 1.00 65.43 N ATOM 302 CA THR A 19 -25.299 -37.253 -4.269 1.00 44.52 C ATOM 303 C THR A 19 -26.602 -37.620 -4.969 1.00 64.14 C ATOM 304 O THR A 19 -27.601 -37.929 -4.320 1.00 4.34 O ATOM 305 CB THR A 19 -25.290 -37.881 -2.863 1.00 54.31 C ATOM 306 OG1 THR A 19 -24.209 -37.343 -2.093 1.00 65.42 O ATOM 307 CG2 THR A 19 -25.158 -39.393 -2.946 1.00 23.03 C ATOM 0 H THR A 19 -25.350 -35.393 -3.302 1.00 65.43 H new ATOM 0 HA THR A 19 -24.459 -37.648 -4.840 1.00 44.52 H new ATOM 0 HB THR A 19 -26.236 -37.642 -2.377 1.00 54.31 H new ATOM 0 HG1 THR A 19 -24.211 -37.746 -1.200 1.00 65.42 H new ATOM 0 HG21 THR A 19 -25.154 -39.814 -1.940 1.00 23.03 H new ATOM 0 HG22 THR A 19 -25.999 -39.801 -3.507 1.00 23.03 H new ATOM 0 HG23 THR A 19 -24.226 -39.650 -3.450 1.00 23.03 H new ATOM 315 N MET A 20 -26.585 -37.586 -6.298 1.00 12.04 N ATOM 316 CA MET A 20 -27.766 -37.917 -7.086 1.00 33.23 C ATOM 317 C MET A 20 -28.974 -37.108 -6.623 1.00 13.41 C ATOM 318 O MET A 20 -30.077 -37.638 -6.500 1.00 33.33 O ATOM 319 CB MET A 20 -28.071 -39.414 -6.983 1.00 15.33 C ATOM 320 CG MET A 20 -26.898 -40.300 -7.367 1.00 33.44 C ATOM 321 SD MET A 20 -27.388 -42.009 -7.668 1.00 53.22 S ATOM 322 CE MET A 20 -25.870 -42.684 -8.335 1.00 4.10 C ATOM 0 H MET A 20 -25.766 -37.333 -6.851 1.00 12.04 H new ATOM 0 HA MET A 20 -27.560 -37.665 -8.126 1.00 33.23 H new ATOM 0 HB2 MET A 20 -28.372 -39.646 -5.961 1.00 15.33 H new ATOM 0 HB3 MET A 20 -28.919 -39.649 -7.626 1.00 15.33 H new ATOM 0 HG2 MET A 20 -26.423 -39.899 -8.262 1.00 33.44 H new ATOM 0 HG3 MET A 20 -26.153 -40.274 -6.572 1.00 33.44 H new ATOM 0 HE1 MET A 20 -26.014 -43.738 -8.571 1.00 4.10 H new ATOM 0 HE2 MET A 20 -25.598 -42.143 -9.241 1.00 4.10 H new ATOM 0 HE3 MET A 20 -25.072 -42.583 -7.599 1.00 4.10 H new ATOM 332 N GLN A 21 -28.755 -35.822 -6.368 1.00 32.32 N ATOM 333 CA GLN A 21 -29.827 -34.941 -5.917 1.00 43.23 C ATOM 334 C GLN A 21 -30.081 -33.831 -6.932 1.00 12.33 C ATOM 335 O GLN A 21 -29.935 -32.648 -6.622 1.00 1.23 O ATOM 336 CB GLN A 21 -29.478 -34.335 -4.556 1.00 53.31 C ATOM 337 CG GLN A 21 -30.665 -33.692 -3.855 1.00 2.00 C ATOM 338 CD GLN A 21 -30.274 -32.997 -2.566 1.00 44.31 C ATOM 339 OE1 GLN A 21 -29.344 -32.191 -2.539 1.00 42.53 O ATOM 340 NE2 GLN A 21 -30.983 -33.307 -1.487 1.00 35.10 N ATOM 0 H GLN A 21 -27.847 -35.367 -6.466 1.00 32.32 H new ATOM 0 HA GLN A 21 -30.736 -35.535 -5.820 1.00 43.23 H new ATOM 0 HB2 GLN A 21 -29.066 -35.115 -3.915 1.00 53.31 H new ATOM 0 HB3 GLN A 21 -28.697 -33.587 -4.690 1.00 53.31 H new ATOM 0 HG2 GLN A 21 -31.131 -32.970 -4.526 1.00 2.00 H new ATOM 0 HG3 GLN A 21 -31.412 -34.456 -3.640 1.00 2.00 H new ATOM 0 HE21 GLN A 21 -31.746 -33.981 -1.554 1.00 35.10 H new ATOM 0 HE22 GLN A 21 -30.765 -32.871 -0.591 1.00 35.10 H new ATOM 349 N SER A 22 -30.462 -34.220 -8.144 1.00 51.20 N ATOM 350 CA SER A 22 -30.733 -33.257 -9.205 1.00 52.22 C ATOM 351 C SER A 22 -32.234 -33.042 -9.374 1.00 23.22 C ATOM 352 O SER A 22 -33.045 -33.775 -8.809 1.00 2.50 O ATOM 353 CB SER A 22 -30.124 -33.736 -10.525 1.00 3.25 C ATOM 354 OG SER A 22 -28.710 -33.624 -10.504 1.00 72.54 O ATOM 0 H SER A 22 -30.590 -35.195 -8.416 1.00 51.20 H new ATOM 0 HA SER A 22 -30.277 -32.308 -8.925 1.00 52.22 H new ATOM 0 HB2 SER A 22 -30.407 -34.773 -10.705 1.00 3.25 H new ATOM 0 HB3 SER A 22 -30.527 -33.148 -11.350 1.00 3.25 H new ATOM 0 HG SER A 22 -28.344 -33.938 -11.357 1.00 72.54 H new ATOM 360 N GLY A 23 -32.597 -32.030 -10.156 1.00 44.34 N ATOM 361 CA GLY A 23 -33.998 -31.735 -10.386 1.00 72.52 C ATOM 362 C GLY A 23 -34.429 -32.040 -11.807 1.00 73.15 C ATOM 363 O GLY A 23 -33.704 -32.695 -12.557 1.00 13.42 O ATOM 0 H GLY A 23 -31.945 -31.409 -10.635 1.00 44.34 H new ATOM 0 HA2 GLY A 23 -34.607 -32.315 -9.693 1.00 72.52 H new ATOM 0 HA3 GLY A 23 -34.185 -30.683 -10.171 1.00 72.52 H new ATOM 367 N HIS A 24 -35.614 -31.567 -12.179 1.00 15.11 N ATOM 368 CA HIS A 24 -36.142 -31.793 -13.519 1.00 52.13 C ATOM 369 C HIS A 24 -35.865 -30.595 -14.423 1.00 4.05 C ATOM 370 O HIS A 24 -35.437 -30.754 -15.566 1.00 51.33 O ATOM 371 CB HIS A 24 -37.646 -32.063 -13.460 1.00 2.05 C ATOM 372 CG HIS A 24 -38.142 -32.939 -14.569 1.00 22.20 C ATOM 373 ND1 HIS A 24 -38.603 -32.444 -15.770 1.00 21.01 N ATOM 374 CD2 HIS A 24 -38.245 -34.286 -14.654 1.00 30.13 C ATOM 375 CE1 HIS A 24 -38.971 -33.448 -16.546 1.00 65.31 C ATOM 376 NE2 HIS A 24 -38.763 -34.577 -15.892 1.00 73.12 N ATOM 0 H HIS A 24 -36.227 -31.024 -11.571 1.00 15.11 H new ATOM 0 HA HIS A 24 -35.639 -32.665 -13.937 1.00 52.13 H new ATOM 0 HB2 HIS A 24 -37.886 -32.530 -12.505 1.00 2.05 H new ATOM 0 HB3 HIS A 24 -38.179 -31.113 -13.493 1.00 2.05 H new ATOM 0 HD2 HIS A 24 -37.971 -34.999 -13.890 1.00 30.13 H new ATOM 0 HE1 HIS A 24 -39.373 -33.361 -17.545 1.00 65.31 H new ATOM 0 HE2 HIS A 24 -38.956 -35.513 -16.249 1.00 73.12 H new ATOM 384 N SER A 25 -36.110 -29.397 -13.901 1.00 75.52 N ATOM 385 CA SER A 25 -35.890 -28.173 -14.663 1.00 13.12 C ATOM 386 C SER A 25 -34.808 -27.316 -14.013 1.00 22.54 C ATOM 387 O SER A 25 -35.103 -26.373 -13.279 1.00 22.23 O ATOM 388 CB SER A 25 -37.191 -27.374 -14.771 1.00 21.14 C ATOM 389 OG SER A 25 -38.212 -28.144 -15.383 1.00 41.42 O ATOM 0 H SER A 25 -36.460 -29.248 -12.955 1.00 75.52 H new ATOM 0 HA SER A 25 -35.558 -28.452 -15.663 1.00 13.12 H new ATOM 0 HB2 SER A 25 -37.513 -27.061 -13.778 1.00 21.14 H new ATOM 0 HB3 SER A 25 -37.018 -26.467 -15.351 1.00 21.14 H new ATOM 0 HG SER A 25 -39.033 -27.613 -15.439 1.00 41.42 H new ATOM 395 N LYS A 26 -33.552 -27.653 -14.288 1.00 73.34 N ATOM 396 CA LYS A 26 -32.423 -26.917 -13.733 1.00 54.44 C ATOM 397 C LYS A 26 -31.692 -26.138 -14.824 1.00 34.33 C ATOM 398 O LYS A 26 -30.625 -26.548 -15.283 1.00 71.53 O ATOM 399 CB LYS A 26 -31.453 -27.875 -13.039 1.00 15.11 C ATOM 400 CG LYS A 26 -30.526 -27.191 -12.051 1.00 24.04 C ATOM 401 CD LYS A 26 -29.925 -28.184 -11.069 1.00 72.31 C ATOM 402 CE LYS A 26 -29.015 -27.496 -10.065 1.00 52.24 C ATOM 403 NZ LYS A 26 -27.618 -27.382 -10.569 1.00 23.05 N ATOM 0 H LYS A 26 -33.291 -28.432 -14.893 1.00 73.34 H new ATOM 0 HA LYS A 26 -32.809 -26.208 -13.001 1.00 54.44 H new ATOM 0 HB2 LYS A 26 -32.025 -28.642 -12.517 1.00 15.11 H new ATOM 0 HB3 LYS A 26 -30.854 -28.383 -13.795 1.00 15.11 H new ATOM 0 HG2 LYS A 26 -29.727 -26.684 -12.592 1.00 24.04 H new ATOM 0 HG3 LYS A 26 -31.077 -26.425 -11.504 1.00 24.04 H new ATOM 0 HD2 LYS A 26 -30.724 -28.703 -10.540 1.00 72.31 H new ATOM 0 HD3 LYS A 26 -29.360 -28.940 -11.615 1.00 72.31 H new ATOM 0 HE2 LYS A 26 -29.404 -26.502 -9.844 1.00 52.24 H new ATOM 0 HE3 LYS A 26 -29.019 -28.055 -9.129 1.00 52.24 H new ATOM 0 HZ1 LYS A 26 -27.029 -26.907 -9.855 1.00 23.05 H new ATOM 0 HZ2 LYS A 26 -27.238 -28.332 -10.756 1.00 23.05 H new ATOM 0 HZ3 LYS A 26 -27.610 -26.827 -11.449 1.00 23.05 H new ATOM 417 N LEU A 27 -32.271 -25.015 -15.232 1.00 2.43 N ATOM 418 CA LEU A 27 -31.673 -24.178 -16.267 1.00 71.45 C ATOM 419 C LEU A 27 -30.298 -23.678 -15.837 1.00 54.11 C ATOM 420 O LEU A 27 -29.272 -24.143 -16.335 1.00 52.44 O ATOM 421 CB LEU A 27 -32.586 -22.991 -16.581 1.00 44.13 C ATOM 422 CG LEU A 27 -33.679 -23.242 -17.620 1.00 14.52 C ATOM 423 CD1 LEU A 27 -33.067 -23.602 -18.964 1.00 31.24 C ATOM 424 CD2 LEU A 27 -34.621 -24.341 -17.149 1.00 2.32 C ATOM 0 H LEU A 27 -33.154 -24.662 -14.862 1.00 2.43 H new ATOM 0 HA LEU A 27 -31.553 -24.784 -17.165 1.00 71.45 H new ATOM 0 HB2 LEU A 27 -33.061 -22.668 -15.654 1.00 44.13 H new ATOM 0 HB3 LEU A 27 -31.967 -22.163 -16.927 1.00 44.13 H new ATOM 0 HG LEU A 27 -34.255 -22.324 -17.741 1.00 14.52 H new ATOM 0 HD11 LEU A 27 -33.861 -23.777 -19.690 1.00 31.24 H new ATOM 0 HD12 LEU A 27 -32.435 -22.783 -19.307 1.00 31.24 H new ATOM 0 HD13 LEU A 27 -32.465 -24.505 -18.860 1.00 31.24 H new ATOM 0 HD21 LEU A 27 -35.392 -24.506 -17.901 1.00 2.32 H new ATOM 0 HD22 LEU A 27 -34.059 -25.262 -16.998 1.00 2.32 H new ATOM 0 HD23 LEU A 27 -35.088 -24.043 -16.210 1.00 2.32 H new ATOM 436 N LYS A 28 -30.284 -22.730 -14.906 1.00 52.15 N ATOM 437 CA LYS A 28 -29.036 -22.168 -14.405 1.00 1.15 C ATOM 438 C LYS A 28 -28.236 -23.217 -13.639 1.00 1.54 C ATOM 439 O LYS A 28 -28.761 -23.882 -12.747 1.00 31.24 O ATOM 440 CB LYS A 28 -29.320 -20.967 -13.499 1.00 30.21 C ATOM 441 CG LYS A 28 -30.306 -19.977 -14.095 1.00 33.11 C ATOM 442 CD LYS A 28 -29.812 -19.428 -15.423 1.00 1.54 C ATOM 443 CE LYS A 28 -30.254 -17.987 -15.629 1.00 2.34 C ATOM 444 NZ LYS A 28 -31.510 -17.901 -16.424 1.00 54.01 N ATOM 0 H LYS A 28 -31.124 -22.335 -14.483 1.00 52.15 H new ATOM 0 HA LYS A 28 -28.446 -21.839 -15.260 1.00 1.15 H new ATOM 0 HB2 LYS A 28 -29.709 -21.325 -12.546 1.00 30.21 H new ATOM 0 HB3 LYS A 28 -28.383 -20.452 -13.288 1.00 30.21 H new ATOM 0 HG2 LYS A 28 -31.271 -20.464 -14.238 1.00 33.11 H new ATOM 0 HG3 LYS A 28 -30.464 -19.155 -13.397 1.00 33.11 H new ATOM 0 HD2 LYS A 28 -28.724 -19.485 -15.459 1.00 1.54 H new ATOM 0 HD3 LYS A 28 -30.191 -20.046 -16.237 1.00 1.54 H new ATOM 0 HE2 LYS A 28 -30.404 -17.511 -14.660 1.00 2.34 H new ATOM 0 HE3 LYS A 28 -29.464 -17.434 -16.137 1.00 2.34 H new ATOM 0 HZ1 LYS A 28 -31.778 -16.903 -16.543 1.00 54.01 H new ATOM 0 HZ2 LYS A 28 -31.360 -18.332 -17.358 1.00 54.01 H new ATOM 0 HZ3 LYS A 28 -32.271 -18.407 -15.927 1.00 54.01 H new ATOM 458 N ALA A 29 -26.962 -23.358 -13.992 1.00 72.42 N ATOM 459 CA ALA A 29 -26.090 -24.323 -13.336 1.00 10.13 C ATOM 460 C ALA A 29 -24.898 -23.631 -12.684 1.00 1.11 C ATOM 461 O ALA A 29 -24.463 -24.014 -11.597 1.00 53.22 O ATOM 462 CB ALA A 29 -25.614 -25.369 -14.334 1.00 12.12 C ATOM 0 H ALA A 29 -26.512 -22.815 -14.729 1.00 72.42 H new ATOM 0 HA ALA A 29 -26.663 -24.819 -12.552 1.00 10.13 H new ATOM 0 HB1 ALA A 29 -24.963 -26.083 -13.830 1.00 12.12 H new ATOM 0 HB2 ALA A 29 -26.474 -25.893 -14.750 1.00 12.12 H new ATOM 0 HB3 ALA A 29 -25.063 -24.881 -15.138 1.00 12.12 H new ATOM 468 N TRP A 30 -24.373 -22.612 -13.354 1.00 2.52 N ATOM 469 CA TRP A 30 -23.229 -21.866 -12.839 1.00 32.12 C ATOM 470 C TRP A 30 -23.679 -20.567 -12.179 1.00 40.24 C ATOM 471 O TRP A 30 -24.782 -20.081 -12.431 1.00 14.50 O ATOM 472 CB TRP A 30 -22.241 -21.565 -13.966 1.00 70.12 C ATOM 473 CG TRP A 30 -21.368 -22.732 -14.318 1.00 32.31 C ATOM 474 CD1 TRP A 30 -21.754 -23.889 -14.933 1.00 43.44 C ATOM 475 CD2 TRP A 30 -19.963 -22.855 -14.072 1.00 41.24 C ATOM 476 NE1 TRP A 30 -20.673 -24.722 -15.085 1.00 23.42 N ATOM 477 CE2 TRP A 30 -19.562 -24.112 -14.566 1.00 53.44 C ATOM 478 CE3 TRP A 30 -19.004 -22.025 -13.485 1.00 65.04 C ATOM 479 CZ2 TRP A 30 -18.244 -24.557 -14.488 1.00 75.12 C ATOM 480 CZ3 TRP A 30 -17.697 -22.468 -13.409 1.00 21.12 C ATOM 481 CH2 TRP A 30 -17.327 -23.724 -13.908 1.00 44.22 C ATOM 0 H TRP A 30 -24.720 -22.283 -14.255 1.00 2.52 H new ATOM 0 HA TRP A 30 -22.734 -22.481 -12.087 1.00 32.12 H new ATOM 0 HB2 TRP A 30 -22.795 -21.255 -14.852 1.00 70.12 H new ATOM 0 HB3 TRP A 30 -21.612 -20.725 -13.673 1.00 70.12 H new ATOM 0 HD1 TRP A 30 -22.761 -24.115 -15.252 1.00 43.44 H new ATOM 0 HE1 TRP A 30 -20.694 -25.647 -15.515 1.00 23.42 H new ATOM 0 HE3 TRP A 30 -19.279 -21.055 -13.098 1.00 65.04 H new ATOM 0 HZ2 TRP A 30 -17.957 -25.525 -14.872 1.00 75.12 H new ATOM 0 HZ3 TRP A 30 -16.948 -21.835 -12.957 1.00 21.12 H new ATOM 0 HH2 TRP A 30 -16.297 -24.041 -13.833 1.00 44.22 H new ATOM 492 N LYS A 31 -22.818 -20.009 -11.336 1.00 13.35 N ATOM 493 CA LYS A 31 -23.126 -18.764 -10.641 1.00 44.31 C ATOM 494 C LYS A 31 -22.252 -17.624 -11.155 1.00 13.31 C ATOM 495 O LYS A 31 -21.066 -17.812 -11.428 1.00 53.42 O ATOM 496 CB LYS A 31 -22.925 -18.934 -9.134 1.00 32.15 C ATOM 497 CG LYS A 31 -23.614 -20.162 -8.563 1.00 23.23 C ATOM 498 CD LYS A 31 -24.001 -19.959 -7.108 1.00 33.35 C ATOM 499 CE LYS A 31 -25.344 -19.254 -6.982 1.00 23.43 C ATOM 500 NZ LYS A 31 -25.192 -17.774 -6.944 1.00 2.24 N ATOM 0 H LYS A 31 -21.901 -20.399 -11.117 1.00 13.35 H new ATOM 0 HA LYS A 31 -24.169 -18.516 -10.837 1.00 44.31 H new ATOM 0 HB2 LYS A 31 -21.857 -18.996 -8.923 1.00 32.15 H new ATOM 0 HB3 LYS A 31 -23.300 -18.047 -8.624 1.00 32.15 H new ATOM 0 HG2 LYS A 31 -24.505 -20.386 -9.149 1.00 23.23 H new ATOM 0 HG3 LYS A 31 -22.952 -21.024 -8.647 1.00 23.23 H new ATOM 0 HD2 LYS A 31 -24.047 -20.925 -6.604 1.00 33.35 H new ATOM 0 HD3 LYS A 31 -23.232 -19.373 -6.604 1.00 33.35 H new ATOM 0 HE2 LYS A 31 -25.980 -19.532 -7.822 1.00 23.43 H new ATOM 0 HE3 LYS A 31 -25.847 -19.591 -6.076 1.00 23.43 H new ATOM 0 HZ1 LYS A 31 -25.942 -17.363 -6.352 1.00 2.24 H new ATOM 0 HZ2 LYS A 31 -24.263 -17.531 -6.545 1.00 2.24 H new ATOM 0 HZ3 LYS A 31 -25.265 -17.393 -7.909 1.00 2.24 H new ATOM 514 N LEU A 32 -22.845 -16.441 -11.282 1.00 60.54 N ATOM 515 CA LEU A 32 -22.120 -15.270 -11.762 1.00 61.21 C ATOM 516 C LEU A 32 -22.521 -14.024 -10.979 1.00 73.03 C ATOM 517 O LEU A 32 -23.706 -13.720 -10.844 1.00 4.12 O ATOM 518 CB LEU A 32 -22.385 -15.058 -13.253 1.00 74.14 C ATOM 519 CG LEU A 32 -21.553 -13.970 -13.935 1.00 75.21 C ATOM 520 CD1 LEU A 32 -22.116 -12.592 -13.621 1.00 24.21 C ATOM 521 CD2 LEU A 32 -20.097 -14.065 -13.504 1.00 30.23 C ATOM 0 H LEU A 32 -23.825 -16.268 -11.059 1.00 60.54 H new ATOM 0 HA LEU A 32 -21.055 -15.444 -11.611 1.00 61.21 H new ATOM 0 HB2 LEU A 32 -22.208 -16.001 -13.771 1.00 74.14 H new ATOM 0 HB3 LEU A 32 -23.440 -14.816 -13.383 1.00 74.14 H new ATOM 0 HG LEU A 32 -21.603 -14.122 -15.013 1.00 75.21 H new ATOM 0 HD11 LEU A 32 -21.512 -11.831 -14.114 1.00 24.21 H new ATOM 0 HD12 LEU A 32 -23.143 -12.528 -13.980 1.00 24.21 H new ATOM 0 HD13 LEU A 32 -22.097 -12.428 -12.544 1.00 24.21 H new ATOM 0 HD21 LEU A 32 -19.519 -13.284 -13.998 1.00 30.23 H new ATOM 0 HD22 LEU A 32 -20.028 -13.938 -12.424 1.00 30.23 H new ATOM 0 HD23 LEU A 32 -19.699 -15.041 -13.781 1.00 30.23 H new ATOM 533 N GLU A 33 -21.526 -13.305 -10.470 1.00 1.15 N ATOM 534 CA GLU A 33 -21.776 -12.091 -9.703 1.00 30.22 C ATOM 535 C GLU A 33 -20.779 -10.997 -10.075 1.00 1.41 C ATOM 536 O GLU A 33 -19.602 -11.067 -9.719 1.00 53.23 O ATOM 537 CB GLU A 33 -21.693 -12.382 -8.203 1.00 31.22 C ATOM 538 CG GLU A 33 -22.427 -13.646 -7.787 1.00 34.14 C ATOM 539 CD GLU A 33 -22.561 -13.774 -6.282 1.00 1.30 C ATOM 540 OE1 GLU A 33 -21.936 -12.970 -5.559 1.00 61.32 O ATOM 541 OE2 GLU A 33 -23.291 -14.680 -5.827 1.00 32.33 O ATOM 0 H GLU A 33 -20.540 -13.542 -10.575 1.00 1.15 H new ATOM 0 HA GLU A 33 -22.780 -11.741 -9.943 1.00 30.22 H new ATOM 0 HB2 GLU A 33 -20.645 -12.469 -7.916 1.00 31.22 H new ATOM 0 HB3 GLU A 33 -22.105 -11.535 -7.654 1.00 31.22 H new ATOM 0 HG2 GLU A 33 -23.419 -13.651 -8.238 1.00 34.14 H new ATOM 0 HG3 GLU A 33 -21.896 -14.515 -8.176 1.00 34.14 H new ATOM 548 N PHE A 34 -21.259 -9.988 -10.794 1.00 41.43 N ATOM 549 CA PHE A 34 -20.410 -8.879 -11.217 1.00 74.14 C ATOM 550 C PHE A 34 -20.470 -7.734 -10.210 1.00 63.14 C ATOM 551 O PHE A 34 -21.537 -7.402 -9.696 1.00 52.23 O ATOM 552 CB PHE A 34 -20.838 -8.380 -12.599 1.00 61.45 C ATOM 553 CG PHE A 34 -22.144 -7.639 -12.592 1.00 12.33 C ATOM 554 CD1 PHE A 34 -23.347 -8.327 -12.610 1.00 63.23 C ATOM 555 CD2 PHE A 34 -22.170 -6.254 -12.564 1.00 22.51 C ATOM 556 CE1 PHE A 34 -24.550 -7.647 -12.604 1.00 63.32 C ATOM 557 CE2 PHE A 34 -23.370 -5.568 -12.558 1.00 65.41 C ATOM 558 CZ PHE A 34 -24.562 -6.267 -12.577 1.00 53.32 C ATOM 0 H PHE A 34 -22.230 -9.915 -11.096 1.00 41.43 H new ATOM 0 HA PHE A 34 -19.383 -9.240 -11.270 1.00 74.14 H new ATOM 0 HB2 PHE A 34 -20.061 -7.727 -12.997 1.00 61.45 H new ATOM 0 HB3 PHE A 34 -20.916 -9.231 -13.275 1.00 61.45 H new ATOM 0 HD1 PHE A 34 -23.344 -9.407 -12.629 1.00 63.23 H new ATOM 0 HD2 PHE A 34 -21.241 -5.703 -12.547 1.00 22.51 H new ATOM 0 HE1 PHE A 34 -25.480 -8.195 -12.620 1.00 63.32 H new ATOM 0 HE2 PHE A 34 -23.376 -4.488 -12.539 1.00 65.41 H new ATOM 0 HZ PHE A 34 -25.501 -5.734 -12.571 1.00 53.32 H new ATOM 568 N GLU A 35 -19.315 -7.137 -9.934 1.00 12.01 N ATOM 569 CA GLU A 35 -19.235 -6.030 -8.988 1.00 74.31 C ATOM 570 C GLU A 35 -20.073 -4.846 -9.463 1.00 21.33 C ATOM 571 O GLU A 35 -20.411 -4.725 -10.640 1.00 63.44 O ATOM 572 CB GLU A 35 -17.780 -5.596 -8.797 1.00 71.41 C ATOM 573 CG GLU A 35 -17.048 -6.378 -7.719 1.00 51.54 C ATOM 574 CD GLU A 35 -17.014 -5.648 -6.392 1.00 5.33 C ATOM 575 OE1 GLU A 35 -17.952 -5.832 -5.589 1.00 12.23 O ATOM 576 OE2 GLU A 35 -16.048 -4.892 -6.155 1.00 32.24 O ATOM 0 H GLU A 35 -18.423 -7.401 -10.352 1.00 12.01 H new ATOM 0 HA GLU A 35 -19.632 -6.373 -8.033 1.00 74.31 H new ATOM 0 HB2 GLU A 35 -17.248 -5.711 -9.742 1.00 71.41 H new ATOM 0 HB3 GLU A 35 -17.756 -4.536 -8.545 1.00 71.41 H new ATOM 0 HG2 GLU A 35 -17.532 -7.345 -7.585 1.00 51.54 H new ATOM 0 HG3 GLU A 35 -16.028 -6.575 -8.048 1.00 51.54 H new ATOM 583 N PRO A 36 -20.417 -3.950 -8.526 1.00 24.33 N ATOM 584 CA PRO A 36 -21.219 -2.760 -8.824 1.00 44.33 C ATOM 585 C PRO A 36 -20.452 -1.739 -9.659 1.00 31.12 C ATOM 586 O PRO A 36 -19.314 -1.391 -9.340 1.00 70.33 O ATOM 587 CB PRO A 36 -21.535 -2.190 -7.440 1.00 54.21 C ATOM 588 CG PRO A 36 -20.431 -2.678 -6.566 1.00 72.52 C ATOM 589 CD PRO A 36 -20.048 -4.031 -7.102 1.00 42.15 C ATOM 0 HA PRO A 36 -22.104 -3.001 -9.413 1.00 44.33 H new ATOM 0 HB2 PRO A 36 -21.572 -1.101 -7.460 1.00 54.21 H new ATOM 0 HB3 PRO A 36 -22.505 -2.535 -7.082 1.00 54.21 H new ATOM 0 HG2 PRO A 36 -19.583 -1.994 -6.590 1.00 72.52 H new ATOM 0 HG3 PRO A 36 -20.756 -2.747 -5.528 1.00 72.52 H new ATOM 0 HD2 PRO A 36 -18.984 -4.228 -6.973 1.00 42.15 H new ATOM 0 HD3 PRO A 36 -20.584 -4.832 -6.593 1.00 42.15 H new ATOM 597 N SER A 37 -21.082 -1.262 -10.727 1.00 72.12 N ATOM 598 CA SER A 37 -20.458 -0.283 -11.609 1.00 65.10 C ATOM 599 C SER A 37 -20.825 1.138 -11.190 1.00 24.41 C ATOM 600 O SER A 37 -19.978 1.893 -10.710 1.00 22.22 O ATOM 601 CB SER A 37 -20.884 -0.525 -13.058 1.00 51.20 C ATOM 602 OG SER A 37 -22.283 -0.737 -13.149 1.00 24.11 O ATOM 0 H SER A 37 -22.025 -1.538 -11.003 1.00 72.12 H new ATOM 0 HA SER A 37 -19.377 -0.399 -11.532 1.00 65.10 H new ATOM 0 HB2 SER A 37 -20.602 0.331 -13.671 1.00 51.20 H new ATOM 0 HB3 SER A 37 -20.355 -1.391 -13.456 1.00 51.20 H new ATOM 0 HG SER A 37 -22.531 -0.888 -14.085 1.00 24.11 H new ATOM 608 N CYS A 38 -22.091 1.494 -11.374 1.00 63.15 N ATOM 609 CA CYS A 38 -22.570 2.824 -11.017 1.00 55.32 C ATOM 610 C CYS A 38 -23.755 2.735 -10.061 1.00 15.13 C ATOM 611 O CYS A 38 -24.675 1.943 -10.264 1.00 62.55 O ATOM 612 CB CYS A 38 -22.971 3.600 -12.273 1.00 65.44 C ATOM 613 SG CYS A 38 -23.437 5.319 -11.962 1.00 64.51 S ATOM 0 H CYS A 38 -22.804 0.880 -11.768 1.00 63.15 H new ATOM 0 HA CYS A 38 -21.759 3.353 -10.516 1.00 55.32 H new ATOM 0 HB2 CYS A 38 -22.140 3.582 -12.979 1.00 65.44 H new ATOM 0 HB3 CYS A 38 -23.807 3.089 -12.751 1.00 65.44 H new ATOM 0 HG CYS A 38 -23.757 5.892 -13.084 1.00 64.51 H new ATOM 619 N THR A 39 -23.726 3.554 -9.014 1.00 54.32 N ATOM 620 CA THR A 39 -24.795 3.567 -8.023 1.00 73.11 C ATOM 621 C THR A 39 -25.931 4.490 -8.452 1.00 24.44 C ATOM 622 O THR A 39 -25.887 5.695 -8.210 1.00 0.02 O ATOM 623 CB THR A 39 -24.278 4.015 -6.643 1.00 25.00 C ATOM 624 OG1 THR A 39 -23.781 5.356 -6.719 1.00 24.44 O ATOM 625 CG2 THR A 39 -23.178 3.088 -6.151 1.00 21.22 C ATOM 0 H THR A 39 -22.973 4.217 -8.831 1.00 54.32 H new ATOM 0 HA THR A 39 -25.168 2.546 -7.948 1.00 73.11 H new ATOM 0 HB THR A 39 -25.108 3.975 -5.937 1.00 25.00 H new ATOM 0 HG1 THR A 39 -24.434 5.921 -7.183 1.00 24.44 H new ATOM 0 HG21 THR A 39 -22.828 3.424 -5.175 1.00 21.22 H new ATOM 0 HG22 THR A 39 -23.568 2.073 -6.067 1.00 21.22 H new ATOM 0 HG23 THR A 39 -22.348 3.101 -6.858 1.00 21.22 H new ATOM 633 N GLN A 40 -26.946 3.914 -9.089 1.00 12.43 N ATOM 634 CA GLN A 40 -28.093 4.687 -9.551 1.00 34.34 C ATOM 635 C GLN A 40 -29.280 3.776 -9.844 1.00 22.41 C ATOM 636 O GLN A 40 -29.150 2.780 -10.558 1.00 10.30 O ATOM 637 CB GLN A 40 -27.726 5.486 -10.803 1.00 62.51 C ATOM 638 CG GLN A 40 -28.906 6.211 -11.429 1.00 73.43 C ATOM 639 CD GLN A 40 -28.491 7.136 -12.556 1.00 53.23 C ATOM 640 OE1 GLN A 40 -28.064 6.686 -13.619 1.00 20.43 O ATOM 641 NE2 GLN A 40 -28.615 8.439 -12.329 1.00 23.51 N ATOM 0 H GLN A 40 -26.997 2.917 -9.297 1.00 12.43 H new ATOM 0 HA GLN A 40 -28.376 5.379 -8.758 1.00 34.34 H new ATOM 0 HB2 GLN A 40 -26.957 6.215 -10.546 1.00 62.51 H new ATOM 0 HB3 GLN A 40 -27.292 4.811 -11.541 1.00 62.51 H new ATOM 0 HG2 GLN A 40 -29.618 5.478 -11.809 1.00 73.43 H new ATOM 0 HG3 GLN A 40 -29.422 6.788 -10.662 1.00 73.43 H new ATOM 0 HE21 GLN A 40 -28.974 8.769 -11.433 1.00 23.51 H new ATOM 0 HE22 GLN A 40 -28.352 9.110 -13.051 1.00 23.51 H new ATOM 650 N TYR A 41 -30.436 4.122 -9.289 1.00 70.21 N ATOM 651 CA TYR A 41 -31.646 3.333 -9.489 1.00 52.23 C ATOM 652 C TYR A 41 -32.027 3.284 -10.966 1.00 12.13 C ATOM 653 O TYR A 41 -31.861 4.262 -11.696 1.00 13.13 O ATOM 654 CB TYR A 41 -32.801 3.917 -8.674 1.00 33.15 C ATOM 655 CG TYR A 41 -33.358 5.201 -9.245 1.00 13.23 C ATOM 656 CD1 TYR A 41 -32.742 6.421 -8.992 1.00 75.35 C ATOM 657 CD2 TYR A 41 -34.500 5.195 -10.036 1.00 21.15 C ATOM 658 CE1 TYR A 41 -33.248 7.597 -9.511 1.00 23.04 C ATOM 659 CE2 TYR A 41 -35.012 6.367 -10.559 1.00 63.54 C ATOM 660 CZ TYR A 41 -34.382 7.564 -10.295 1.00 12.13 C ATOM 661 OH TYR A 41 -34.890 8.734 -10.814 1.00 32.13 O ATOM 0 H TYR A 41 -30.561 4.943 -8.697 1.00 70.21 H new ATOM 0 HA TYR A 41 -31.446 2.317 -9.149 1.00 52.23 H new ATOM 0 HB2 TYR A 41 -33.601 3.179 -8.614 1.00 33.15 H new ATOM 0 HB3 TYR A 41 -32.459 4.101 -7.655 1.00 33.15 H new ATOM 0 HD1 TYR A 41 -31.853 6.450 -8.379 1.00 75.35 H new ATOM 0 HD2 TYR A 41 -34.996 4.259 -10.246 1.00 21.15 H new ATOM 0 HE1 TYR A 41 -32.758 8.537 -9.304 1.00 23.04 H new ATOM 0 HE2 TYR A 41 -35.901 6.345 -11.171 1.00 63.54 H new ATOM 0 HH TYR A 41 -35.690 8.536 -11.344 1.00 32.13 H new ATOM 671 N THR A 42 -32.538 2.136 -11.400 1.00 73.02 N ATOM 672 CA THR A 42 -32.943 1.957 -12.789 1.00 71.22 C ATOM 673 C THR A 42 -34.369 1.427 -12.883 1.00 52.42 C ATOM 674 O THR A 42 -34.854 0.761 -11.970 1.00 33.01 O ATOM 675 CB THR A 42 -31.999 0.990 -13.528 1.00 73.12 C ATOM 676 OG1 THR A 42 -31.797 -0.192 -12.746 1.00 10.32 O ATOM 677 CG2 THR A 42 -30.659 1.652 -13.812 1.00 3.41 C ATOM 0 H THR A 42 -32.681 1.317 -10.810 1.00 73.02 H new ATOM 0 HA THR A 42 -32.891 2.938 -13.262 1.00 71.22 H new ATOM 0 HB THR A 42 -32.462 0.722 -14.478 1.00 73.12 H new ATOM 0 HG1 THR A 42 -31.197 -0.802 -13.224 1.00 10.32 H new ATOM 0 HG21 THR A 42 -30.010 0.950 -14.334 1.00 3.41 H new ATOM 0 HG22 THR A 42 -30.813 2.534 -14.433 1.00 3.41 H new ATOM 0 HG23 THR A 42 -30.193 1.947 -12.872 1.00 3.41 H new ATOM 685 N GLU A 43 -35.036 1.729 -13.993 1.00 20.10 N ATOM 686 CA GLU A 43 -36.408 1.283 -14.205 1.00 24.24 C ATOM 687 C GLU A 43 -36.440 -0.156 -14.714 1.00 10.24 C ATOM 688 O GLU A 43 -35.453 -0.680 -15.231 1.00 2.23 O ATOM 689 CB GLU A 43 -37.120 2.203 -15.197 1.00 51.33 C ATOM 690 CG GLU A 43 -37.791 3.400 -14.545 1.00 51.35 C ATOM 691 CD GLU A 43 -38.911 3.973 -15.390 1.00 53.13 C ATOM 692 OE1 GLU A 43 -38.614 4.540 -16.463 1.00 62.43 O ATOM 693 OE2 GLU A 43 -40.084 3.857 -14.980 1.00 13.15 O ATOM 0 H GLU A 43 -34.648 2.280 -14.759 1.00 20.10 H new ATOM 0 HA GLU A 43 -36.928 1.323 -13.248 1.00 24.24 H new ATOM 0 HB2 GLU A 43 -36.398 2.558 -15.932 1.00 51.33 H new ATOM 0 HB3 GLU A 43 -37.870 1.627 -15.739 1.00 51.33 H new ATOM 0 HG2 GLU A 43 -38.188 3.105 -13.574 1.00 51.35 H new ATOM 0 HG3 GLU A 43 -37.046 4.174 -14.362 1.00 51.35 H new ATOM 700 N PRO A 44 -37.600 -0.810 -14.565 1.00 14.11 N ATOM 701 CA PRO A 44 -37.790 -2.196 -15.003 1.00 52.13 C ATOM 702 C PRO A 44 -37.798 -2.328 -16.522 1.00 51.44 C ATOM 703 O PRO A 44 -38.086 -1.367 -17.237 1.00 61.43 O ATOM 704 CB PRO A 44 -39.159 -2.567 -14.427 1.00 53.41 C ATOM 705 CG PRO A 44 -39.874 -1.267 -14.284 1.00 32.32 C ATOM 706 CD PRO A 44 -38.818 -0.247 -13.958 1.00 12.15 C ATOM 0 HA PRO A 44 -36.981 -2.844 -14.666 1.00 52.13 H new ATOM 0 HB2 PRO A 44 -39.697 -3.244 -15.090 1.00 53.41 H new ATOM 0 HB3 PRO A 44 -39.061 -3.073 -13.466 1.00 53.41 H new ATOM 0 HG2 PRO A 44 -40.397 -1.006 -15.204 1.00 32.32 H new ATOM 0 HG3 PRO A 44 -40.624 -1.319 -13.494 1.00 32.32 H new ATOM 0 HD2 PRO A 44 -39.060 0.730 -14.376 1.00 12.15 H new ATOM 0 HD3 PRO A 44 -38.706 -0.114 -12.882 1.00 12.15 H new ATOM 714 N LEU A 45 -37.481 -3.522 -17.009 1.00 34.11 N ATOM 715 CA LEU A 45 -37.453 -3.780 -18.445 1.00 61.12 C ATOM 716 C LEU A 45 -38.315 -4.988 -18.799 1.00 50.21 C ATOM 717 O LEU A 45 -39.215 -4.896 -19.633 1.00 71.21 O ATOM 718 CB LEU A 45 -36.015 -4.011 -18.913 1.00 51.21 C ATOM 719 CG LEU A 45 -35.833 -4.295 -20.405 1.00 4.44 C ATOM 720 CD1 LEU A 45 -34.476 -3.798 -20.880 1.00 54.33 C ATOM 721 CD2 LEU A 45 -35.985 -5.783 -20.686 1.00 40.13 C ATOM 0 H LEU A 45 -37.240 -4.327 -16.431 1.00 34.11 H new ATOM 0 HA LEU A 45 -37.859 -2.906 -18.954 1.00 61.12 H new ATOM 0 HB2 LEU A 45 -35.425 -3.131 -18.656 1.00 51.21 H new ATOM 0 HB3 LEU A 45 -35.601 -4.848 -18.351 1.00 51.21 H new ATOM 0 HG LEU A 45 -36.607 -3.760 -20.955 1.00 4.44 H new ATOM 0 HD11 LEU A 45 -34.363 -4.008 -21.944 1.00 54.33 H new ATOM 0 HD12 LEU A 45 -34.403 -2.723 -20.713 1.00 54.33 H new ATOM 0 HD13 LEU A 45 -33.688 -4.306 -20.324 1.00 54.33 H new ATOM 0 HD21 LEU A 45 -35.853 -5.967 -21.752 1.00 40.13 H new ATOM 0 HD22 LEU A 45 -35.233 -6.338 -20.126 1.00 40.13 H new ATOM 0 HD23 LEU A 45 -36.979 -6.111 -20.382 1.00 40.13 H new ATOM 733 N MET A 46 -38.034 -6.117 -18.157 1.00 11.12 N ATOM 734 CA MET A 46 -38.787 -7.342 -18.401 1.00 44.14 C ATOM 735 C MET A 46 -40.236 -7.188 -17.952 1.00 51.34 C ATOM 736 O MET A 46 -40.544 -6.370 -17.087 1.00 74.10 O ATOM 737 CB MET A 46 -38.137 -8.519 -17.673 1.00 11.24 C ATOM 738 CG MET A 46 -36.682 -8.742 -18.053 1.00 11.23 C ATOM 739 SD MET A 46 -36.495 -9.845 -19.466 1.00 63.14 S ATOM 740 CE MET A 46 -36.292 -11.422 -18.641 1.00 54.45 C ATOM 0 H MET A 46 -37.291 -6.209 -17.464 1.00 11.12 H new ATOM 0 HA MET A 46 -38.777 -7.538 -19.473 1.00 44.14 H new ATOM 0 HB2 MET A 46 -38.201 -8.351 -16.598 1.00 11.24 H new ATOM 0 HB3 MET A 46 -38.703 -9.425 -17.888 1.00 11.24 H new ATOM 0 HG2 MET A 46 -36.219 -7.782 -18.282 1.00 11.23 H new ATOM 0 HG3 MET A 46 -36.147 -9.158 -17.199 1.00 11.23 H new ATOM 0 HE1 MET A 46 -36.165 -12.208 -19.385 1.00 54.45 H new ATOM 0 HE2 MET A 46 -35.413 -11.386 -17.998 1.00 54.45 H new ATOM 0 HE3 MET A 46 -37.175 -11.633 -18.038 1.00 54.45 H new ATOM 750 N ASN A 47 -41.123 -7.980 -18.548 1.00 21.23 N ATOM 751 CA ASN A 47 -42.541 -7.931 -18.209 1.00 1.40 C ATOM 752 C ASN A 47 -42.848 -8.837 -17.022 1.00 23.55 C ATOM 753 O ASN A 47 -43.007 -10.049 -17.178 1.00 14.23 O ATOM 754 CB ASN A 47 -43.388 -8.344 -19.414 1.00 32.02 C ATOM 755 CG ASN A 47 -43.525 -7.230 -20.434 1.00 23.11 C ATOM 756 OD1 ASN A 47 -42.902 -7.266 -21.495 1.00 62.52 O ATOM 757 ND2 ASN A 47 -44.342 -6.234 -20.116 1.00 13.12 N ATOM 0 H ASN A 47 -40.885 -8.663 -19.267 1.00 21.23 H new ATOM 0 HA ASN A 47 -42.789 -6.906 -17.933 1.00 1.40 H new ATOM 0 HB2 ASN A 47 -42.937 -9.215 -19.890 1.00 32.02 H new ATOM 0 HB3 ASN A 47 -44.379 -8.644 -19.073 1.00 32.02 H new ATOM 0 HD21 ASN A 47 -44.474 -5.456 -20.763 1.00 13.12 H new ATOM 0 HD22 ASN A 47 -44.838 -6.246 -19.225 1.00 13.12 H new ATOM 764 N TRP A 48 -42.931 -8.243 -15.837 1.00 24.04 N ATOM 765 CA TRP A 48 -43.219 -8.998 -14.622 1.00 21.30 C ATOM 766 C TRP A 48 -44.723 -9.109 -14.396 1.00 33.14 C ATOM 767 O TRP A 48 -45.501 -8.303 -14.908 1.00 4.52 O ATOM 768 CB TRP A 48 -42.557 -8.333 -13.415 1.00 11.41 C ATOM 769 CG TRP A 48 -41.080 -8.139 -13.579 1.00 21.41 C ATOM 770 CD1 TRP A 48 -40.423 -6.955 -13.751 1.00 5.12 C ATOM 771 CD2 TRP A 48 -40.078 -9.163 -13.588 1.00 43.52 C ATOM 772 NE1 TRP A 48 -39.072 -7.180 -13.867 1.00 61.12 N ATOM 773 CE2 TRP A 48 -38.834 -8.526 -13.769 1.00 53.42 C ATOM 774 CE3 TRP A 48 -40.109 -10.553 -13.459 1.00 3.15 C ATOM 775 CZ2 TRP A 48 -37.637 -9.234 -13.825 1.00 50.24 C ATOM 776 CZ3 TRP A 48 -38.920 -11.254 -13.515 1.00 61.12 C ATOM 777 CH2 TRP A 48 -37.697 -10.594 -13.697 1.00 34.45 C ATOM 0 H TRP A 48 -42.803 -7.242 -15.691 1.00 24.04 H new ATOM 0 HA TRP A 48 -42.813 -10.002 -14.742 1.00 21.30 H new ATOM 0 HB2 TRP A 48 -43.026 -7.365 -13.240 1.00 11.41 H new ATOM 0 HB3 TRP A 48 -42.740 -8.941 -12.529 1.00 11.41 H new ATOM 0 HD1 TRP A 48 -40.895 -5.984 -13.790 1.00 5.12 H new ATOM 0 HE1 TRP A 48 -38.361 -6.461 -14.004 1.00 61.12 H new ATOM 0 HE3 TRP A 48 -41.046 -11.071 -13.318 1.00 3.15 H new ATOM 0 HZ2 TRP A 48 -36.694 -8.727 -13.965 1.00 50.24 H new ATOM 0 HZ3 TRP A 48 -38.933 -12.329 -13.417 1.00 61.12 H new ATOM 0 HH2 TRP A 48 -36.785 -11.171 -13.737 1.00 34.45 H new ATOM 788 N THR A 49 -45.129 -10.114 -13.625 1.00 1.53 N ATOM 789 CA THR A 49 -46.539 -10.331 -13.331 1.00 74.11 C ATOM 790 C THR A 49 -46.942 -9.643 -12.032 1.00 54.02 C ATOM 791 O THR A 49 -48.060 -9.143 -11.903 1.00 42.44 O ATOM 792 CB THR A 49 -46.867 -11.833 -13.226 1.00 54.52 C ATOM 793 OG1 THR A 49 -46.087 -12.432 -12.187 1.00 33.44 O ATOM 794 CG2 THR A 49 -46.592 -12.539 -14.545 1.00 55.41 C ATOM 0 H THR A 49 -44.500 -10.791 -13.193 1.00 1.53 H new ATOM 0 HA THR A 49 -47.104 -9.900 -14.158 1.00 74.11 H new ATOM 0 HB THR A 49 -47.926 -11.937 -12.990 1.00 54.52 H new ATOM 0 HG1 THR A 49 -46.302 -13.386 -12.125 1.00 33.44 H new ATOM 0 HG21 THR A 49 -46.831 -13.598 -14.447 1.00 55.41 H new ATOM 0 HG22 THR A 49 -47.208 -12.099 -15.329 1.00 55.41 H new ATOM 0 HG23 THR A 49 -45.540 -12.427 -14.805 1.00 55.41 H new ATOM 802 N GLY A 50 -46.025 -9.619 -11.069 1.00 74.53 N ATOM 803 CA GLY A 50 -46.305 -8.989 -9.793 1.00 22.34 C ATOM 804 C GLY A 50 -46.240 -7.477 -9.866 1.00 53.25 C ATOM 805 O GLY A 50 -46.722 -6.873 -10.824 1.00 73.43 O ATOM 0 H GLY A 50 -45.093 -10.025 -11.151 1.00 74.53 H new ATOM 0 HA2 GLY A 50 -47.295 -9.291 -9.452 1.00 22.34 H new ATOM 0 HA3 GLY A 50 -45.590 -9.345 -9.051 1.00 22.34 H new ATOM 809 N SER A 51 -45.643 -6.862 -8.850 1.00 50.12 N ATOM 810 CA SER A 51 -45.522 -5.409 -8.801 1.00 25.24 C ATOM 811 C SER A 51 -44.677 -4.894 -9.962 1.00 22.42 C ATOM 812 O SER A 51 -44.082 -5.676 -10.706 1.00 51.42 O ATOM 813 CB SER A 51 -44.902 -4.974 -7.472 1.00 54.41 C ATOM 814 OG SER A 51 -45.483 -5.671 -6.384 1.00 65.25 O ATOM 0 H SER A 51 -45.236 -7.347 -8.050 1.00 50.12 H new ATOM 0 HA SER A 51 -46.521 -4.982 -8.886 1.00 25.24 H new ATOM 0 HB2 SER A 51 -43.827 -5.156 -7.492 1.00 54.41 H new ATOM 0 HB3 SER A 51 -45.041 -3.901 -7.336 1.00 54.41 H new ATOM 0 HG SER A 51 -45.068 -5.375 -5.547 1.00 65.25 H new ATOM 820 N HIS A 52 -44.630 -3.575 -10.112 1.00 0.31 N ATOM 821 CA HIS A 52 -43.857 -2.955 -11.182 1.00 74.13 C ATOM 822 C HIS A 52 -42.666 -2.185 -10.619 1.00 30.45 C ATOM 823 O HIS A 52 -42.280 -1.144 -11.149 1.00 24.13 O ATOM 824 CB HIS A 52 -44.744 -2.016 -12.002 1.00 4.34 C ATOM 825 CG HIS A 52 -45.773 -2.728 -12.822 1.00 61.33 C ATOM 826 ND1 HIS A 52 -45.532 -3.930 -13.455 1.00 42.43 N ATOM 827 CD2 HIS A 52 -47.055 -2.404 -13.111 1.00 71.44 C ATOM 828 CE1 HIS A 52 -46.620 -4.312 -14.099 1.00 5.11 C ATOM 829 NE2 HIS A 52 -47.559 -3.404 -13.907 1.00 74.10 N ATOM 0 H HIS A 52 -45.118 -2.915 -9.507 1.00 0.31 H new ATOM 0 HA HIS A 52 -43.481 -3.747 -11.830 1.00 74.13 H new ATOM 0 HB2 HIS A 52 -45.246 -1.322 -11.327 1.00 4.34 H new ATOM 0 HB3 HIS A 52 -44.114 -1.420 -12.662 1.00 4.34 H new ATOM 0 HD2 HIS A 52 -47.584 -1.523 -12.778 1.00 71.44 H new ATOM 0 HE1 HIS A 52 -46.724 -5.214 -14.684 1.00 5.11 H new ATOM 0 HE2 HIS A 52 -48.505 -3.439 -14.288 1.00 74.10 H new ATOM 837 N ASP A 53 -42.091 -2.705 -9.540 1.00 5.12 N ATOM 838 CA ASP A 53 -40.944 -2.067 -8.903 1.00 30.51 C ATOM 839 C ASP A 53 -39.978 -3.112 -8.352 1.00 31.30 C ATOM 840 O ASP A 53 -40.389 -4.063 -7.687 1.00 22.02 O ATOM 841 CB ASP A 53 -41.407 -1.140 -7.779 1.00 14.01 C ATOM 842 CG ASP A 53 -40.334 -0.153 -7.363 1.00 52.05 C ATOM 843 OD1 ASP A 53 -39.323 -0.036 -8.087 1.00 33.30 O ATOM 844 OD2 ASP A 53 -40.505 0.503 -6.314 1.00 70.22 O ATOM 0 H ASP A 53 -42.400 -3.566 -9.088 1.00 5.12 H new ATOM 0 HA ASP A 53 -40.423 -1.477 -9.657 1.00 30.51 H new ATOM 0 HB2 ASP A 53 -42.292 -0.594 -8.104 1.00 14.01 H new ATOM 0 HB3 ASP A 53 -41.700 -1.738 -6.916 1.00 14.01 H new ATOM 849 N THR A 54 -38.692 -2.929 -8.635 1.00 21.14 N ATOM 850 CA THR A 54 -37.668 -3.856 -8.169 1.00 34.12 C ATOM 851 C THR A 54 -36.339 -3.143 -7.951 1.00 50.35 C ATOM 852 O THR A 54 -36.176 -1.982 -8.328 1.00 11.33 O ATOM 853 CB THR A 54 -37.460 -5.010 -9.167 1.00 71.11 C ATOM 854 OG1 THR A 54 -37.444 -4.504 -10.506 1.00 51.24 O ATOM 855 CG2 THR A 54 -38.561 -6.052 -9.027 1.00 3.33 C ATOM 0 H THR A 54 -38.335 -2.147 -9.185 1.00 21.14 H new ATOM 0 HA THR A 54 -38.018 -4.263 -7.221 1.00 34.12 H new ATOM 0 HB THR A 54 -36.503 -5.483 -8.946 1.00 71.11 H new ATOM 0 HG1 THR A 54 -37.310 -5.244 -11.134 1.00 51.24 H new ATOM 0 HG21 THR A 54 -38.393 -6.857 -9.742 1.00 3.33 H new ATOM 0 HG22 THR A 54 -38.552 -6.457 -8.015 1.00 3.33 H new ATOM 0 HG23 THR A 54 -39.528 -5.588 -9.223 1.00 3.33 H new ATOM 863 N LYS A 55 -35.389 -3.844 -7.341 1.00 40.35 N ATOM 864 CA LYS A 55 -34.072 -3.279 -7.074 1.00 61.22 C ATOM 865 C LYS A 55 -32.992 -4.025 -7.853 1.00 13.45 C ATOM 866 O LYS A 55 -33.071 -5.240 -8.028 1.00 64.44 O ATOM 867 CB LYS A 55 -33.765 -3.332 -5.576 1.00 73.30 C ATOM 868 CG LYS A 55 -32.763 -2.285 -5.123 1.00 22.03 C ATOM 869 CD LYS A 55 -33.427 -0.937 -4.901 1.00 4.14 C ATOM 870 CE LYS A 55 -34.084 -0.858 -3.531 1.00 23.31 C ATOM 871 NZ LYS A 55 -33.097 -0.552 -2.459 1.00 3.43 N ATOM 0 H LYS A 55 -35.507 -4.806 -7.022 1.00 40.35 H new ATOM 0 HA LYS A 55 -34.077 -2.239 -7.400 1.00 61.22 H new ATOM 0 HB2 LYS A 55 -34.692 -3.200 -5.019 1.00 73.30 H new ATOM 0 HB3 LYS A 55 -33.381 -4.321 -5.327 1.00 73.30 H new ATOM 0 HG2 LYS A 55 -32.285 -2.613 -4.200 1.00 22.03 H new ATOM 0 HG3 LYS A 55 -31.976 -2.185 -5.871 1.00 22.03 H new ATOM 0 HD2 LYS A 55 -32.685 -0.145 -4.996 1.00 4.14 H new ATOM 0 HD3 LYS A 55 -34.175 -0.767 -5.675 1.00 4.14 H new ATOM 0 HE2 LYS A 55 -34.857 -0.090 -3.543 1.00 23.31 H new ATOM 0 HE3 LYS A 55 -34.578 -1.804 -3.310 1.00 23.31 H new ATOM 0 HZ1 LYS A 55 -33.584 -0.507 -1.541 1.00 3.43 H new ATOM 0 HZ2 LYS A 55 -32.373 -1.298 -2.430 1.00 3.43 H new ATOM 0 HZ3 LYS A 55 -32.643 0.363 -2.656 1.00 3.43 H new ATOM 885 N GLN A 56 -31.985 -3.289 -8.312 1.00 72.12 N ATOM 886 CA GLN A 56 -30.889 -3.883 -9.069 1.00 74.23 C ATOM 887 C GLN A 56 -30.163 -4.937 -8.241 1.00 12.41 C ATOM 888 O GLN A 56 -29.913 -4.740 -7.052 1.00 50.12 O ATOM 889 CB GLN A 56 -29.906 -2.801 -9.516 1.00 43.34 C ATOM 890 CG GLN A 56 -29.170 -2.134 -8.365 1.00 51.15 C ATOM 891 CD GLN A 56 -28.222 -1.046 -8.830 1.00 23.31 C ATOM 892 OE1 GLN A 56 -28.529 -0.292 -9.753 1.00 53.20 O ATOM 893 NE2 GLN A 56 -27.061 -0.961 -8.191 1.00 15.40 N ATOM 0 H GLN A 56 -31.905 -2.282 -8.173 1.00 72.12 H new ATOM 0 HA GLN A 56 -31.310 -4.368 -9.950 1.00 74.23 H new ATOM 0 HB2 GLN A 56 -29.177 -3.243 -10.195 1.00 43.34 H new ATOM 0 HB3 GLN A 56 -30.447 -2.041 -10.079 1.00 43.34 H new ATOM 0 HG2 GLN A 56 -29.896 -1.707 -7.674 1.00 51.15 H new ATOM 0 HG3 GLN A 56 -28.609 -2.888 -7.812 1.00 51.15 H new ATOM 0 HE21 GLN A 56 -26.849 -1.607 -7.431 1.00 15.40 H new ATOM 0 HE22 GLN A 56 -26.382 -0.249 -8.460 1.00 15.40 H new ATOM 902 N GLN A 57 -29.827 -6.055 -8.876 1.00 53.44 N ATOM 903 CA GLN A 57 -29.130 -7.140 -8.197 1.00 11.14 C ATOM 904 C GLN A 57 -27.710 -7.294 -8.731 1.00 15.23 C ATOM 905 O GLN A 57 -27.412 -6.889 -9.855 1.00 24.21 O ATOM 906 CB GLN A 57 -29.898 -8.452 -8.367 1.00 5.23 C ATOM 907 CG GLN A 57 -30.940 -8.692 -7.286 1.00 43.43 C ATOM 908 CD GLN A 57 -31.702 -9.987 -7.488 1.00 64.42 C ATOM 909 OE1 GLN A 57 -31.768 -10.828 -6.591 1.00 2.03 O ATOM 910 NE2 GLN A 57 -32.283 -10.155 -8.670 1.00 12.03 N ATOM 0 H GLN A 57 -30.026 -6.233 -9.860 1.00 53.44 H new ATOM 0 HA GLN A 57 -29.074 -6.895 -7.136 1.00 11.14 H new ATOM 0 HB2 GLN A 57 -30.389 -8.452 -9.340 1.00 5.23 H new ATOM 0 HB3 GLN A 57 -29.190 -9.280 -8.367 1.00 5.23 H new ATOM 0 HG2 GLN A 57 -30.450 -8.711 -6.312 1.00 43.43 H new ATOM 0 HG3 GLN A 57 -31.643 -7.859 -7.273 1.00 43.43 H new ATOM 0 HE21 GLN A 57 -32.203 -9.432 -9.385 1.00 12.03 H new ATOM 0 HE22 GLN A 57 -32.809 -11.007 -8.863 1.00 12.03 H new ATOM 919 N VAL A 58 -26.838 -7.882 -7.918 1.00 44.45 N ATOM 920 CA VAL A 58 -25.449 -8.090 -8.310 1.00 40.52 C ATOM 921 C VAL A 58 -25.140 -9.574 -8.471 1.00 61.31 C ATOM 922 O VAL A 58 -24.278 -9.956 -9.264 1.00 71.22 O ATOM 923 CB VAL A 58 -24.478 -7.484 -7.279 1.00 33.14 C ATOM 924 CG1 VAL A 58 -24.461 -5.967 -7.387 1.00 63.12 C ATOM 925 CG2 VAL A 58 -24.856 -7.922 -5.871 1.00 24.01 C ATOM 0 H VAL A 58 -27.069 -8.222 -6.985 1.00 44.45 H new ATOM 0 HA VAL A 58 -25.312 -7.587 -9.267 1.00 40.52 H new ATOM 0 HB VAL A 58 -23.474 -7.850 -7.493 1.00 33.14 H new ATOM 0 HG11 VAL A 58 -23.769 -5.558 -6.651 1.00 63.12 H new ATOM 0 HG12 VAL A 58 -24.140 -5.677 -8.387 1.00 63.12 H new ATOM 0 HG13 VAL A 58 -25.462 -5.578 -7.200 1.00 63.12 H new ATOM 0 HG21 VAL A 58 -24.160 -7.485 -5.155 1.00 24.01 H new ATOM 0 HG22 VAL A 58 -25.868 -7.586 -5.645 1.00 24.01 H new ATOM 0 HG23 VAL A 58 -24.811 -9.009 -5.804 1.00 24.01 H new ATOM 935 N CYS A 59 -25.849 -10.406 -7.716 1.00 2.21 N ATOM 936 CA CYS A 59 -25.651 -11.850 -7.775 1.00 54.52 C ATOM 937 C CYS A 59 -26.673 -12.501 -8.701 1.00 35.23 C ATOM 938 O CYS A 59 -27.880 -12.422 -8.465 1.00 65.41 O ATOM 939 CB CYS A 59 -25.752 -12.457 -6.376 1.00 31.20 C ATOM 940 SG CYS A 59 -24.771 -11.596 -5.125 1.00 5.12 S ATOM 0 H CYS A 59 -26.566 -10.105 -7.056 1.00 2.21 H new ATOM 0 HA CYS A 59 -24.654 -12.040 -8.173 1.00 54.52 H new ATOM 0 HB2 CYS A 59 -26.797 -12.457 -6.066 1.00 31.20 H new ATOM 0 HB3 CYS A 59 -25.433 -13.498 -6.419 1.00 31.20 H new ATOM 0 HG CYS A 59 -23.845 -10.893 -5.707 1.00 5.12 H new ATOM 946 N LEU A 60 -26.184 -13.144 -9.756 1.00 4.34 N ATOM 947 CA LEU A 60 -27.054 -13.808 -10.719 1.00 73.05 C ATOM 948 C LEU A 60 -26.533 -15.202 -11.053 1.00 74.04 C ATOM 949 O LEU A 60 -25.471 -15.609 -10.580 1.00 74.24 O ATOM 950 CB LEU A 60 -27.166 -12.973 -11.996 1.00 22.11 C ATOM 951 CG LEU A 60 -25.860 -12.721 -12.750 1.00 13.45 C ATOM 952 CD1 LEU A 60 -26.119 -12.606 -14.243 1.00 61.31 C ATOM 953 CD2 LEU A 60 -25.177 -11.466 -12.227 1.00 21.01 C ATOM 0 H LEU A 60 -25.189 -13.219 -9.966 1.00 4.34 H new ATOM 0 HA LEU A 60 -28.042 -13.908 -10.270 1.00 73.05 H new ATOM 0 HB2 LEU A 60 -27.862 -13.470 -12.672 1.00 22.11 H new ATOM 0 HB3 LEU A 60 -27.605 -12.009 -11.739 1.00 22.11 H new ATOM 0 HG LEU A 60 -25.196 -13.569 -12.582 1.00 13.45 H new ATOM 0 HD11 LEU A 60 -25.178 -12.427 -14.763 1.00 61.31 H new ATOM 0 HD12 LEU A 60 -26.564 -13.532 -14.607 1.00 61.31 H new ATOM 0 HD13 LEU A 60 -26.801 -11.777 -14.431 1.00 61.31 H new ATOM 0 HD21 LEU A 60 -24.249 -11.302 -12.775 1.00 21.01 H new ATOM 0 HD22 LEU A 60 -25.836 -10.609 -12.364 1.00 21.01 H new ATOM 0 HD23 LEU A 60 -24.956 -11.587 -11.167 1.00 21.01 H new ATOM 965 N SER A 61 -27.286 -15.929 -11.873 1.00 74.12 N ATOM 966 CA SER A 61 -26.901 -17.278 -12.269 1.00 71.53 C ATOM 967 C SER A 61 -26.951 -17.434 -13.786 1.00 41.54 C ATOM 968 O SER A 61 -27.616 -16.663 -14.480 1.00 31.55 O ATOM 969 CB SER A 61 -27.820 -18.308 -11.609 1.00 5.03 C ATOM 970 OG SER A 61 -27.974 -18.042 -10.226 1.00 43.42 O ATOM 0 H SER A 61 -28.166 -15.606 -12.276 1.00 74.12 H new ATOM 0 HA SER A 61 -25.877 -17.449 -11.937 1.00 71.53 H new ATOM 0 HB2 SER A 61 -28.795 -18.295 -12.096 1.00 5.03 H new ATOM 0 HB3 SER A 61 -27.409 -19.308 -11.747 1.00 5.03 H new ATOM 0 HG SER A 61 -28.567 -18.713 -9.828 1.00 43.42 H new ATOM 976 N PHE A 62 -26.243 -18.436 -14.296 1.00 1.14 N ATOM 977 CA PHE A 62 -26.206 -18.694 -15.730 1.00 44.11 C ATOM 978 C PHE A 62 -26.257 -20.192 -16.016 1.00 2.34 C ATOM 979 O PHE A 62 -25.891 -21.010 -15.171 1.00 32.00 O ATOM 980 CB PHE A 62 -24.941 -18.089 -16.346 1.00 40.20 C ATOM 981 CG PHE A 62 -25.121 -16.673 -16.812 1.00 45.04 C ATOM 982 CD1 PHE A 62 -25.876 -16.391 -17.939 1.00 71.05 C ATOM 983 CD2 PHE A 62 -24.533 -15.622 -16.125 1.00 21.42 C ATOM 984 CE1 PHE A 62 -26.044 -15.088 -18.371 1.00 21.43 C ATOM 985 CE2 PHE A 62 -24.697 -14.319 -16.552 1.00 60.22 C ATOM 986 CZ PHE A 62 -25.453 -14.051 -17.677 1.00 24.23 C ATOM 0 H PHE A 62 -25.687 -19.083 -13.737 1.00 1.14 H new ATOM 0 HA PHE A 62 -27.082 -18.226 -16.180 1.00 44.11 H new ATOM 0 HB2 PHE A 62 -24.137 -18.122 -15.611 1.00 40.20 H new ATOM 0 HB3 PHE A 62 -24.627 -18.704 -17.190 1.00 40.20 H new ATOM 0 HD1 PHE A 62 -26.339 -17.199 -18.487 1.00 71.05 H new ATOM 0 HD2 PHE A 62 -23.940 -15.825 -15.246 1.00 21.42 H new ATOM 0 HE1 PHE A 62 -26.637 -14.882 -19.250 1.00 21.43 H new ATOM 0 HE2 PHE A 62 -24.234 -13.510 -16.007 1.00 60.22 H new ATOM 0 HZ PHE A 62 -25.581 -13.033 -18.013 1.00 24.23 H new ATOM 996 N THR A 63 -26.713 -20.545 -17.214 1.00 14.44 N ATOM 997 CA THR A 63 -26.814 -21.943 -17.611 1.00 60.03 C ATOM 998 C THR A 63 -25.476 -22.657 -17.460 1.00 3.42 C ATOM 999 O THR A 63 -25.371 -23.661 -16.755 1.00 65.14 O ATOM 1000 CB THR A 63 -27.293 -22.080 -19.068 1.00 75.55 C ATOM 1001 OG1 THR A 63 -28.120 -20.964 -19.419 1.00 32.34 O ATOM 1002 CG2 THR A 63 -28.070 -23.373 -19.264 1.00 1.24 C ATOM 0 H THR A 63 -27.018 -19.881 -17.926 1.00 14.44 H new ATOM 0 HA THR A 63 -27.546 -22.406 -16.950 1.00 60.03 H new ATOM 0 HB THR A 63 -26.416 -22.100 -19.714 1.00 75.55 H new ATOM 0 HG1 THR A 63 -28.419 -21.058 -20.348 1.00 32.34 H new ATOM 0 HG21 THR A 63 -28.398 -23.447 -20.301 1.00 1.24 H new ATOM 0 HG22 THR A 63 -27.430 -24.222 -19.024 1.00 1.24 H new ATOM 0 HG23 THR A 63 -28.940 -23.378 -18.607 1.00 1.24 H new ATOM 1010 N THR A 64 -24.452 -22.130 -18.125 1.00 24.10 N ATOM 1011 CA THR A 64 -23.118 -22.717 -18.064 1.00 75.44 C ATOM 1012 C THR A 64 -22.054 -21.644 -17.864 1.00 52.34 C ATOM 1013 O THR A 64 -22.358 -20.451 -17.849 1.00 64.14 O ATOM 1014 CB THR A 64 -22.796 -23.512 -19.345 1.00 15.42 C ATOM 1015 OG1 THR A 64 -22.928 -22.665 -20.492 1.00 4.01 O ATOM 1016 CG2 THR A 64 -23.720 -24.712 -19.484 1.00 50.31 C ATOM 0 H THR A 64 -24.521 -21.298 -18.712 1.00 24.10 H new ATOM 0 HA THR A 64 -23.109 -23.396 -17.211 1.00 75.44 H new ATOM 0 HB THR A 64 -21.769 -23.872 -19.276 1.00 15.42 H new ATOM 0 HG1 THR A 64 -22.720 -23.176 -21.302 1.00 4.01 H new ATOM 0 HG21 THR A 64 -23.474 -25.257 -20.395 1.00 50.31 H new ATOM 0 HG22 THR A 64 -23.595 -25.369 -18.623 1.00 50.31 H new ATOM 0 HG23 THR A 64 -24.754 -24.371 -19.534 1.00 50.31 H new ATOM 1024 N ARG A 65 -20.806 -22.076 -17.712 1.00 33.12 N ATOM 1025 CA ARG A 65 -19.698 -21.152 -17.512 1.00 3.55 C ATOM 1026 C ARG A 65 -19.496 -20.270 -18.741 1.00 62.41 C ATOM 1027 O ARG A 65 -19.231 -19.074 -18.622 1.00 15.11 O ATOM 1028 CB ARG A 65 -18.412 -21.923 -17.208 1.00 10.53 C ATOM 1029 CG ARG A 65 -18.059 -22.960 -18.261 1.00 53.13 C ATOM 1030 CD ARG A 65 -16.946 -22.471 -19.174 1.00 40.44 C ATOM 1031 NE ARG A 65 -16.227 -23.576 -19.802 1.00 60.31 N ATOM 1032 CZ ARG A 65 -16.739 -24.332 -20.767 1.00 12.22 C ATOM 1033 NH1 ARG A 65 -17.966 -24.102 -21.213 1.00 52.03 N ATOM 1034 NH2 ARG A 65 -16.022 -25.319 -21.289 1.00 34.53 N ATOM 0 H ARG A 65 -20.538 -23.060 -17.724 1.00 33.12 H new ATOM 0 HA ARG A 65 -19.940 -20.513 -16.663 1.00 3.55 H new ATOM 0 HB2 ARG A 65 -17.588 -21.216 -17.116 1.00 10.53 H new ATOM 0 HB3 ARG A 65 -18.515 -22.419 -16.243 1.00 10.53 H new ATOM 0 HG2 ARG A 65 -17.751 -23.885 -17.773 1.00 53.13 H new ATOM 0 HG3 ARG A 65 -18.943 -23.192 -18.855 1.00 53.13 H new ATOM 0 HD2 ARG A 65 -17.367 -21.827 -19.946 1.00 40.44 H new ATOM 0 HD3 ARG A 65 -16.247 -21.864 -18.599 1.00 40.44 H new ATOM 0 HE ARG A 65 -15.280 -23.778 -19.482 1.00 60.31 H new ATOM 0 HH11 ARG A 65 -18.519 -23.343 -20.815 1.00 52.03 H new ATOM 0 HH12 ARG A 65 -18.357 -24.684 -21.954 1.00 52.03 H new ATOM 0 HH21 ARG A 65 -15.077 -25.498 -20.949 1.00 34.53 H new ATOM 0 HH22 ARG A 65 -16.416 -25.899 -22.030 1.00 34.53 H new ATOM 1048 N GLU A 66 -19.622 -20.870 -19.921 1.00 1.11 N ATOM 1049 CA GLU A 66 -19.452 -20.139 -21.171 1.00 63.21 C ATOM 1050 C GLU A 66 -20.324 -18.888 -21.192 1.00 50.13 C ATOM 1051 O GLU A 66 -19.974 -17.884 -21.814 1.00 44.24 O ATOM 1052 CB GLU A 66 -19.797 -21.036 -22.363 1.00 15.13 C ATOM 1053 CG GLU A 66 -18.987 -20.728 -23.611 1.00 33.44 C ATOM 1054 CD GLU A 66 -19.656 -21.227 -24.877 1.00 71.13 C ATOM 1055 OE1 GLU A 66 -20.356 -22.258 -24.811 1.00 23.43 O ATOM 1056 OE2 GLU A 66 -19.479 -20.585 -25.933 1.00 63.11 O ATOM 0 H GLU A 66 -19.841 -21.859 -20.037 1.00 1.11 H new ATOM 0 HA GLU A 66 -18.408 -19.834 -21.245 1.00 63.21 H new ATOM 0 HB2 GLU A 66 -19.635 -22.077 -22.083 1.00 15.13 H new ATOM 0 HB3 GLU A 66 -20.857 -20.929 -22.593 1.00 15.13 H new ATOM 0 HG2 GLU A 66 -18.835 -19.651 -23.685 1.00 33.44 H new ATOM 0 HG3 GLU A 66 -18.001 -21.184 -23.522 1.00 33.44 H new ATOM 1063 N LEU A 67 -21.461 -18.955 -20.510 1.00 14.43 N ATOM 1064 CA LEU A 67 -22.385 -17.827 -20.449 1.00 54.31 C ATOM 1065 C LEU A 67 -21.820 -16.706 -19.583 1.00 31.22 C ATOM 1066 O LEU A 67 -21.993 -15.526 -19.887 1.00 74.04 O ATOM 1067 CB LEU A 67 -23.739 -18.280 -19.899 1.00 24.05 C ATOM 1068 CG LEU A 67 -24.944 -18.054 -20.811 1.00 34.13 C ATOM 1069 CD1 LEU A 67 -25.000 -16.607 -21.273 1.00 40.25 C ATOM 1070 CD2 LEU A 67 -24.893 -18.997 -22.005 1.00 40.41 C ATOM 0 H LEU A 67 -21.766 -19.778 -19.991 1.00 14.43 H new ATOM 0 HA LEU A 67 -22.521 -17.445 -21.461 1.00 54.31 H new ATOM 0 HB2 LEU A 67 -23.677 -19.344 -19.669 1.00 24.05 H new ATOM 0 HB3 LEU A 67 -23.919 -17.760 -18.958 1.00 24.05 H new ATOM 0 HG LEU A 67 -25.850 -18.267 -20.244 1.00 34.13 H new ATOM 0 HD11 LEU A 67 -25.865 -16.465 -21.921 1.00 40.25 H new ATOM 0 HD12 LEU A 67 -25.085 -15.951 -20.406 1.00 40.25 H new ATOM 0 HD13 LEU A 67 -24.091 -16.365 -21.823 1.00 40.25 H new ATOM 0 HD21 LEU A 67 -25.759 -18.822 -22.644 1.00 40.41 H new ATOM 0 HD22 LEU A 67 -23.980 -18.816 -22.573 1.00 40.41 H new ATOM 0 HD23 LEU A 67 -24.903 -20.029 -21.654 1.00 40.41 H new ATOM 1082 N ALA A 68 -21.142 -17.083 -18.504 1.00 71.21 N ATOM 1083 CA ALA A 68 -20.548 -16.109 -17.597 1.00 23.34 C ATOM 1084 C ALA A 68 -19.377 -15.388 -18.255 1.00 54.12 C ATOM 1085 O ALA A 68 -19.395 -14.165 -18.405 1.00 62.42 O ATOM 1086 CB ALA A 68 -20.095 -16.792 -16.314 1.00 10.45 C ATOM 0 H ALA A 68 -20.991 -18.056 -18.237 1.00 71.21 H new ATOM 0 HA ALA A 68 -21.307 -15.366 -17.353 1.00 23.34 H new ATOM 0 HB1 ALA A 68 -19.653 -16.053 -15.645 1.00 10.45 H new ATOM 0 HB2 ALA A 68 -20.952 -17.256 -15.827 1.00 10.45 H new ATOM 0 HB3 ALA A 68 -19.355 -17.556 -16.550 1.00 10.45 H new ATOM 1092 N ILE A 69 -18.362 -16.151 -18.646 1.00 1.43 N ATOM 1093 CA ILE A 69 -17.183 -15.582 -19.289 1.00 61.51 C ATOM 1094 C ILE A 69 -17.570 -14.750 -20.507 1.00 2.03 C ATOM 1095 O ILE A 69 -16.938 -13.736 -20.805 1.00 35.14 O ATOM 1096 CB ILE A 69 -16.195 -16.681 -19.723 1.00 41.12 C ATOM 1097 CG1 ILE A 69 -15.746 -17.502 -18.512 1.00 41.35 C ATOM 1098 CG2 ILE A 69 -14.995 -16.064 -20.427 1.00 61.34 C ATOM 1099 CD1 ILE A 69 -16.337 -18.894 -18.474 1.00 10.54 C ATOM 0 H ILE A 69 -18.332 -17.164 -18.529 1.00 1.43 H new ATOM 0 HA ILE A 69 -16.699 -14.940 -18.553 1.00 61.51 H new ATOM 0 HB ILE A 69 -16.699 -17.348 -20.422 1.00 41.12 H new ATOM 0 HG12 ILE A 69 -14.659 -17.578 -18.517 1.00 41.35 H new ATOM 0 HG13 ILE A 69 -16.024 -16.973 -17.601 1.00 41.35 H new ATOM 0 HG21 ILE A 69 -14.305 -16.852 -20.728 1.00 61.34 H new ATOM 0 HG22 ILE A 69 -15.331 -15.519 -21.309 1.00 61.34 H new ATOM 0 HG23 ILE A 69 -14.488 -15.378 -19.748 1.00 61.34 H new ATOM 0 HD11 ILE A 69 -15.976 -19.419 -17.589 1.00 10.54 H new ATOM 0 HD12 ILE A 69 -17.424 -18.827 -18.437 1.00 10.54 H new ATOM 0 HD13 ILE A 69 -16.037 -19.441 -19.368 1.00 10.54 H new ATOM 1111 N ALA A 70 -18.611 -15.185 -21.208 1.00 34.44 N ATOM 1112 CA ALA A 70 -19.085 -14.479 -22.392 1.00 24.04 C ATOM 1113 C ALA A 70 -19.603 -13.091 -22.032 1.00 64.13 C ATOM 1114 O ALA A 70 -19.531 -12.162 -22.838 1.00 31.11 O ATOM 1115 CB ALA A 70 -20.170 -15.285 -23.090 1.00 24.23 C ATOM 0 H ALA A 70 -19.143 -16.024 -20.976 1.00 34.44 H new ATOM 0 HA ALA A 70 -18.243 -14.359 -23.074 1.00 24.04 H new ATOM 0 HB1 ALA A 70 -20.514 -14.745 -23.972 1.00 24.23 H new ATOM 0 HB2 ALA A 70 -19.768 -16.252 -23.391 1.00 24.23 H new ATOM 0 HB3 ALA A 70 -21.007 -15.436 -22.408 1.00 24.23 H new ATOM 1121 N TYR A 71 -20.126 -12.956 -20.818 1.00 40.44 N ATOM 1122 CA TYR A 71 -20.659 -11.682 -20.354 1.00 1.54 C ATOM 1123 C TYR A 71 -19.532 -10.724 -19.975 1.00 34.24 C ATOM 1124 O TYR A 71 -19.472 -9.595 -20.461 1.00 63.44 O ATOM 1125 CB TYR A 71 -21.583 -11.899 -19.154 1.00 70.03 C ATOM 1126 CG TYR A 71 -22.074 -10.613 -18.528 1.00 13.04 C ATOM 1127 CD1 TYR A 71 -22.503 -9.553 -19.316 1.00 52.41 C ATOM 1128 CD2 TYR A 71 -22.109 -10.458 -17.147 1.00 24.52 C ATOM 1129 CE1 TYR A 71 -22.953 -8.376 -18.748 1.00 2.03 C ATOM 1130 CE2 TYR A 71 -22.557 -9.286 -16.570 1.00 33.21 C ATOM 1131 CZ TYR A 71 -22.978 -8.248 -17.375 1.00 63.00 C ATOM 1132 OH TYR A 71 -23.423 -7.078 -16.804 1.00 75.33 O ATOM 0 H TYR A 71 -20.192 -13.714 -20.138 1.00 40.44 H new ATOM 0 HA TYR A 71 -21.230 -11.238 -21.169 1.00 1.54 H new ATOM 0 HB2 TYR A 71 -22.442 -12.491 -19.470 1.00 70.03 H new ATOM 0 HB3 TYR A 71 -21.054 -12.482 -18.400 1.00 70.03 H new ATOM 0 HD1 TYR A 71 -22.485 -9.650 -20.391 1.00 52.41 H new ATOM 0 HD2 TYR A 71 -21.780 -11.269 -16.514 1.00 24.52 H new ATOM 0 HE1 TYR A 71 -23.283 -7.561 -19.376 1.00 2.03 H new ATOM 0 HE2 TYR A 71 -22.578 -9.183 -15.495 1.00 33.21 H new ATOM 0 HH TYR A 71 -23.378 -7.152 -15.828 1.00 75.33 H new ATOM 1142 N ALA A 72 -18.641 -11.186 -19.103 1.00 73.02 N ATOM 1143 CA ALA A 72 -17.515 -10.374 -18.661 1.00 13.31 C ATOM 1144 C ALA A 72 -16.667 -9.919 -19.843 1.00 71.34 C ATOM 1145 O ALA A 72 -16.411 -8.727 -20.016 1.00 43.31 O ATOM 1146 CB ALA A 72 -16.664 -11.149 -17.666 1.00 54.00 C ATOM 0 H ALA A 72 -18.678 -12.118 -18.689 1.00 73.02 H new ATOM 0 HA ALA A 72 -17.911 -9.486 -18.170 1.00 13.31 H new ATOM 0 HB1 ALA A 72 -15.826 -10.530 -17.344 1.00 54.00 H new ATOM 0 HB2 ALA A 72 -17.270 -11.418 -16.801 1.00 54.00 H new ATOM 0 HB3 ALA A 72 -16.285 -12.055 -18.139 1.00 54.00 H new ATOM 1152 N VAL A 73 -16.234 -10.876 -20.657 1.00 21.41 N ATOM 1153 CA VAL A 73 -15.414 -10.575 -21.825 1.00 13.42 C ATOM 1154 C VAL A 73 -16.121 -9.593 -22.753 1.00 62.20 C ATOM 1155 O VAL A 73 -15.478 -8.799 -23.439 1.00 60.34 O ATOM 1156 CB VAL A 73 -15.069 -11.852 -22.614 1.00 5.00 C ATOM 1157 CG1 VAL A 73 -14.239 -11.513 -23.842 1.00 75.22 C ATOM 1158 CG2 VAL A 73 -14.337 -12.845 -21.723 1.00 61.24 C ATOM 0 H VAL A 73 -16.437 -11.867 -20.529 1.00 21.41 H new ATOM 0 HA VAL A 73 -14.492 -10.125 -21.457 1.00 13.42 H new ATOM 0 HB VAL A 73 -15.997 -12.314 -22.949 1.00 5.00 H new ATOM 0 HG11 VAL A 73 -14.005 -12.428 -24.387 1.00 75.22 H new ATOM 0 HG12 VAL A 73 -14.803 -10.840 -24.488 1.00 75.22 H new ATOM 0 HG13 VAL A 73 -13.313 -11.028 -23.533 1.00 75.22 H new ATOM 0 HG21 VAL A 73 -14.100 -13.742 -22.295 1.00 61.24 H new ATOM 0 HG22 VAL A 73 -13.415 -12.394 -21.357 1.00 61.24 H new ATOM 0 HG23 VAL A 73 -14.971 -13.111 -20.877 1.00 61.24 H new ATOM 1168 N ALA A 74 -17.448 -9.652 -22.768 1.00 75.52 N ATOM 1169 CA ALA A 74 -18.244 -8.767 -23.610 1.00 43.52 C ATOM 1170 C ALA A 74 -17.854 -7.308 -23.394 1.00 22.22 C ATOM 1171 O ALA A 74 -17.953 -6.487 -24.307 1.00 33.34 O ATOM 1172 CB ALA A 74 -19.727 -8.966 -23.332 1.00 44.11 C ATOM 0 H ALA A 74 -17.995 -10.304 -22.206 1.00 75.52 H new ATOM 0 HA ALA A 74 -18.044 -9.019 -24.651 1.00 43.52 H new ATOM 0 HB1 ALA A 74 -20.309 -8.299 -23.968 1.00 44.11 H new ATOM 0 HB2 ALA A 74 -20.001 -10.000 -23.543 1.00 44.11 H new ATOM 0 HB3 ALA A 74 -19.934 -8.742 -22.286 1.00 44.11 H new ATOM 1178 N HIS A 75 -17.411 -6.992 -22.181 1.00 61.14 N ATOM 1179 CA HIS A 75 -17.006 -5.631 -21.846 1.00 22.41 C ATOM 1180 C HIS A 75 -15.589 -5.610 -21.280 1.00 75.54 C ATOM 1181 O HIS A 75 -15.230 -4.718 -20.512 1.00 12.32 O ATOM 1182 CB HIS A 75 -17.981 -5.021 -20.838 1.00 23.34 C ATOM 1183 CG HIS A 75 -18.018 -3.525 -20.872 1.00 50.33 C ATOM 1184 ND1 HIS A 75 -18.577 -2.809 -21.911 1.00 72.12 N ATOM 1185 CD2 HIS A 75 -17.563 -2.606 -19.987 1.00 64.34 C ATOM 1186 CE1 HIS A 75 -18.462 -1.516 -21.663 1.00 73.45 C ATOM 1187 NE2 HIS A 75 -17.852 -1.367 -20.502 1.00 11.41 N ATOM 0 H HIS A 75 -17.323 -7.659 -21.414 1.00 61.14 H new ATOM 0 HA HIS A 75 -17.021 -5.037 -22.760 1.00 22.41 H new ATOM 0 HB2 HIS A 75 -18.982 -5.406 -21.034 1.00 23.34 H new ATOM 0 HB3 HIS A 75 -17.705 -5.347 -19.835 1.00 23.34 H new ATOM 0 HD2 HIS A 75 -17.065 -2.810 -19.050 1.00 64.34 H new ATOM 0 HE1 HIS A 75 -18.808 -0.717 -22.302 1.00 73.45 H new ATOM 0 HE2 HIS A 75 -17.631 -0.475 -20.059 1.00 11.41 H new ATOM 1195 N LYS A 76 -14.790 -6.599 -21.663 1.00 65.33 N ATOM 1196 CA LYS A 76 -13.412 -6.694 -21.195 1.00 60.42 C ATOM 1197 C LYS A 76 -13.349 -6.635 -19.673 1.00 14.53 C ATOM 1198 O LYS A 76 -12.625 -5.818 -19.104 1.00 12.24 O ATOM 1199 CB LYS A 76 -12.568 -5.567 -21.795 1.00 12.00 C ATOM 1200 CG LYS A 76 -12.122 -5.834 -23.223 1.00 33.54 C ATOM 1201 CD LYS A 76 -13.136 -5.318 -24.230 1.00 34.34 C ATOM 1202 CE LYS A 76 -12.914 -3.847 -24.540 1.00 50.52 C ATOM 1203 NZ LYS A 76 -11.833 -3.649 -25.544 1.00 43.21 N ATOM 0 H LYS A 76 -15.073 -7.347 -22.297 1.00 65.33 H new ATOM 0 HA LYS A 76 -13.010 -7.653 -21.521 1.00 60.42 H new ATOM 0 HB2 LYS A 76 -13.143 -4.641 -21.770 1.00 12.00 H new ATOM 0 HB3 LYS A 76 -11.688 -5.412 -21.171 1.00 12.00 H new ATOM 0 HG2 LYS A 76 -11.158 -5.357 -23.399 1.00 33.54 H new ATOM 0 HG3 LYS A 76 -11.979 -6.905 -23.366 1.00 33.54 H new ATOM 0 HD2 LYS A 76 -13.066 -5.899 -25.149 1.00 34.34 H new ATOM 0 HD3 LYS A 76 -14.143 -5.461 -23.839 1.00 34.34 H new ATOM 0 HE2 LYS A 76 -13.841 -3.411 -24.913 1.00 50.52 H new ATOM 0 HE3 LYS A 76 -12.659 -3.317 -23.622 1.00 50.52 H new ATOM 0 HZ1 LYS A 76 -11.712 -2.633 -25.728 1.00 43.21 H new ATOM 0 HZ2 LYS A 76 -10.943 -4.043 -25.178 1.00 43.21 H new ATOM 0 HZ3 LYS A 76 -12.088 -4.133 -26.428 1.00 43.21 H new ATOM 1217 N ILE A 77 -14.112 -7.504 -19.018 1.00 62.54 N ATOM 1218 CA ILE A 77 -14.140 -7.551 -17.562 1.00 71.55 C ATOM 1219 C ILE A 77 -13.363 -8.753 -17.036 1.00 1.11 C ATOM 1220 O ILE A 77 -13.391 -9.831 -17.627 1.00 25.40 O ATOM 1221 CB ILE A 77 -15.584 -7.615 -17.029 1.00 71.21 C ATOM 1222 CG1 ILE A 77 -16.386 -6.407 -17.520 1.00 24.54 C ATOM 1223 CG2 ILE A 77 -15.585 -7.677 -15.509 1.00 52.04 C ATOM 1224 CD1 ILE A 77 -17.882 -6.577 -17.376 1.00 21.44 C ATOM 0 H ILE A 77 -14.719 -8.185 -19.473 1.00 62.54 H new ATOM 0 HA ILE A 77 -13.670 -6.634 -17.207 1.00 71.55 H new ATOM 0 HB ILE A 77 -16.057 -8.520 -17.410 1.00 71.21 H new ATOM 0 HG12 ILE A 77 -16.074 -5.523 -16.964 1.00 24.54 H new ATOM 0 HG13 ILE A 77 -16.148 -6.225 -18.568 1.00 24.54 H new ATOM 0 HG21 ILE A 77 -16.612 -7.722 -15.147 1.00 52.04 H new ATOM 0 HG22 ILE A 77 -15.046 -8.566 -15.181 1.00 52.04 H new ATOM 0 HG23 ILE A 77 -15.098 -6.788 -15.108 1.00 52.04 H new ATOM 0 HD11 ILE A 77 -18.387 -5.683 -17.743 1.00 21.44 H new ATOM 0 HD12 ILE A 77 -18.207 -7.441 -17.955 1.00 21.44 H new ATOM 0 HD13 ILE A 77 -18.132 -6.729 -16.326 1.00 21.44 H new ATOM 1236 N ASP A 78 -12.670 -8.558 -15.919 1.00 24.44 N ATOM 1237 CA ASP A 78 -11.886 -9.626 -15.310 1.00 23.31 C ATOM 1238 C ASP A 78 -12.791 -10.624 -14.592 1.00 45.35 C ATOM 1239 O ASP A 78 -13.337 -10.329 -13.530 1.00 22.24 O ATOM 1240 CB ASP A 78 -10.868 -9.045 -14.327 1.00 61.23 C ATOM 1241 CG ASP A 78 -10.266 -7.744 -14.820 1.00 13.22 C ATOM 1242 OD1 ASP A 78 -9.343 -7.798 -15.659 1.00 65.32 O ATOM 1243 OD2 ASP A 78 -10.717 -6.671 -14.366 1.00 13.01 O ATOM 0 H ASP A 78 -12.635 -7.671 -15.417 1.00 24.44 H new ATOM 0 HA ASP A 78 -11.355 -10.150 -16.104 1.00 23.31 H new ATOM 0 HB2 ASP A 78 -11.351 -8.877 -13.365 1.00 61.23 H new ATOM 0 HB3 ASP A 78 -10.072 -9.771 -14.161 1.00 61.23 H new ATOM 1248 N TYR A 79 -12.946 -11.804 -15.182 1.00 44.12 N ATOM 1249 CA TYR A 79 -13.787 -12.844 -14.602 1.00 33.42 C ATOM 1250 C TYR A 79 -12.941 -13.892 -13.884 1.00 35.33 C ATOM 1251 O TYR A 79 -11.903 -14.321 -14.388 1.00 74.12 O ATOM 1252 CB TYR A 79 -14.632 -13.511 -15.689 1.00 2.13 C ATOM 1253 CG TYR A 79 -13.811 -14.153 -16.784 1.00 71.40 C ATOM 1254 CD1 TYR A 79 -13.405 -15.478 -16.690 1.00 24.51 C ATOM 1255 CD2 TYR A 79 -13.444 -13.434 -17.915 1.00 61.24 C ATOM 1256 CE1 TYR A 79 -12.654 -16.068 -17.689 1.00 34.31 C ATOM 1257 CE2 TYR A 79 -12.695 -14.016 -18.920 1.00 30.22 C ATOM 1258 CZ TYR A 79 -12.302 -15.333 -18.801 1.00 70.40 C ATOM 1259 OH TYR A 79 -11.556 -15.918 -19.799 1.00 34.23 O ATOM 0 H TYR A 79 -12.500 -12.064 -16.062 1.00 44.12 H new ATOM 0 HA TYR A 79 -14.449 -12.376 -13.873 1.00 33.42 H new ATOM 0 HB2 TYR A 79 -15.267 -14.269 -15.230 1.00 2.13 H new ATOM 0 HB3 TYR A 79 -15.294 -12.766 -16.131 1.00 2.13 H new ATOM 0 HD1 TYR A 79 -13.681 -16.057 -15.821 1.00 24.51 H new ATOM 0 HD2 TYR A 79 -13.749 -12.402 -18.010 1.00 61.24 H new ATOM 0 HE1 TYR A 79 -12.345 -17.099 -17.599 1.00 34.31 H new ATOM 0 HE2 TYR A 79 -12.419 -13.443 -19.793 1.00 30.22 H new ATOM 0 HH TYR A 79 -11.394 -15.265 -20.512 1.00 34.23 H new ATOM 1269 N THR A 80 -13.394 -14.300 -12.702 1.00 74.24 N ATOM 1270 CA THR A 80 -12.682 -15.297 -11.914 1.00 63.10 C ATOM 1271 C THR A 80 -13.546 -16.529 -11.675 1.00 31.15 C ATOM 1272 O THR A 80 -14.642 -16.434 -11.122 1.00 44.24 O ATOM 1273 CB THR A 80 -12.236 -14.724 -10.555 1.00 24.13 C ATOM 1274 OG1 THR A 80 -11.603 -15.746 -9.776 1.00 73.23 O ATOM 1275 CG2 THR A 80 -13.424 -14.158 -9.791 1.00 4.03 C ATOM 0 H THR A 80 -14.251 -13.955 -12.270 1.00 74.24 H new ATOM 0 HA THR A 80 -11.800 -15.582 -12.487 1.00 63.10 H new ATOM 0 HB THR A 80 -11.526 -13.918 -10.740 1.00 24.13 H new ATOM 0 HG1 THR A 80 -11.321 -15.373 -8.915 1.00 73.23 H new ATOM 0 HG21 THR A 80 -13.085 -13.759 -8.835 1.00 4.03 H new ATOM 0 HG22 THR A 80 -13.885 -13.361 -10.374 1.00 4.03 H new ATOM 0 HG23 THR A 80 -14.154 -14.948 -9.616 1.00 4.03 H new ATOM 1283 N VAL A 81 -13.045 -17.688 -12.092 1.00 34.41 N ATOM 1284 CA VAL A 81 -13.772 -18.941 -11.921 1.00 61.14 C ATOM 1285 C VAL A 81 -13.405 -19.613 -10.602 1.00 61.14 C ATOM 1286 O VAL A 81 -12.227 -19.793 -10.292 1.00 10.35 O ATOM 1287 CB VAL A 81 -13.488 -19.917 -13.079 1.00 14.23 C ATOM 1288 CG1 VAL A 81 -14.275 -21.205 -12.896 1.00 34.23 C ATOM 1289 CG2 VAL A 81 -13.816 -19.267 -14.415 1.00 3.33 C ATOM 0 H VAL A 81 -12.139 -17.785 -12.550 1.00 34.41 H new ATOM 0 HA VAL A 81 -14.834 -18.694 -11.916 1.00 61.14 H new ATOM 0 HB VAL A 81 -12.426 -20.164 -13.072 1.00 14.23 H new ATOM 0 HG11 VAL A 81 -14.062 -21.882 -13.723 1.00 34.23 H new ATOM 0 HG12 VAL A 81 -13.987 -21.677 -11.957 1.00 34.23 H new ATOM 0 HG13 VAL A 81 -15.341 -20.980 -12.877 1.00 34.23 H new ATOM 0 HG21 VAL A 81 -13.610 -19.970 -15.222 1.00 3.33 H new ATOM 0 HG22 VAL A 81 -14.870 -18.990 -14.436 1.00 3.33 H new ATOM 0 HG23 VAL A 81 -13.204 -18.375 -14.546 1.00 3.33 H new ATOM 1299 N LEU A 82 -14.420 -19.983 -9.831 1.00 74.45 N ATOM 1300 CA LEU A 82 -14.205 -20.637 -8.545 1.00 14.41 C ATOM 1301 C LEU A 82 -14.518 -22.127 -8.633 1.00 62.11 C ATOM 1302 O LEU A 82 -15.574 -22.521 -9.127 1.00 73.32 O ATOM 1303 CB LEU A 82 -15.074 -19.985 -7.467 1.00 54.12 C ATOM 1304 CG LEU A 82 -15.010 -20.620 -6.078 1.00 63.31 C ATOM 1305 CD1 LEU A 82 -13.609 -20.497 -5.498 1.00 42.42 C ATOM 1306 CD2 LEU A 82 -16.031 -19.979 -5.151 1.00 15.32 C ATOM 0 H LEU A 82 -15.401 -19.842 -10.073 1.00 74.45 H new ATOM 0 HA LEU A 82 -13.155 -20.520 -8.277 1.00 14.41 H new ATOM 0 HB2 LEU A 82 -14.784 -18.938 -7.379 1.00 54.12 H new ATOM 0 HB3 LEU A 82 -16.110 -20.002 -7.805 1.00 54.12 H new ATOM 0 HG LEU A 82 -15.250 -21.679 -6.173 1.00 63.31 H new ATOM 0 HD11 LEU A 82 -13.583 -20.955 -4.509 1.00 42.42 H new ATOM 0 HD12 LEU A 82 -12.899 -21.004 -6.151 1.00 42.42 H new ATOM 0 HD13 LEU A 82 -13.340 -19.444 -5.418 1.00 42.42 H new ATOM 0 HD21 LEU A 82 -15.971 -20.444 -4.167 1.00 15.32 H new ATOM 0 HD22 LEU A 82 -15.823 -18.913 -5.062 1.00 15.32 H new ATOM 0 HD23 LEU A 82 -17.032 -20.121 -5.559 1.00 15.32 H new ATOM 1318 N GLN A 83 -13.593 -22.950 -8.148 1.00 54.04 N ATOM 1319 CA GLN A 83 -13.772 -24.397 -8.172 1.00 3.53 C ATOM 1320 C GLN A 83 -13.496 -25.002 -6.798 1.00 54.44 C ATOM 1321 O GLN A 83 -12.352 -25.045 -6.347 1.00 21.41 O ATOM 1322 CB GLN A 83 -12.848 -25.029 -9.214 1.00 74.22 C ATOM 1323 CG GLN A 83 -11.426 -24.496 -9.169 1.00 44.04 C ATOM 1324 CD GLN A 83 -11.231 -23.279 -10.052 1.00 42.03 C ATOM 1325 OE1 GLN A 83 -11.421 -23.343 -11.267 1.00 53.24 O ATOM 1326 NE2 GLN A 83 -10.850 -22.162 -9.446 1.00 0.13 N ATOM 0 H GLN A 83 -12.714 -22.640 -7.734 1.00 54.04 H new ATOM 0 HA GLN A 83 -14.808 -24.605 -8.440 1.00 3.53 H new ATOM 0 HB2 GLN A 83 -12.828 -26.108 -9.062 1.00 74.22 H new ATOM 0 HB3 GLN A 83 -13.261 -24.854 -10.207 1.00 74.22 H new ATOM 0 HG2 GLN A 83 -11.171 -24.239 -8.141 1.00 44.04 H new ATOM 0 HG3 GLN A 83 -10.738 -25.281 -9.482 1.00 44.04 H new ATOM 0 HE21 GLN A 83 -10.704 -22.154 -8.437 1.00 0.13 H new ATOM 0 HE22 GLN A 83 -10.703 -21.311 -9.990 1.00 0.13 H new ATOM 1335 N ASP A 84 -14.553 -25.464 -6.140 1.00 3.15 N ATOM 1336 CA ASP A 84 -14.425 -26.067 -4.817 1.00 53.12 C ATOM 1337 C ASP A 84 -14.231 -27.576 -4.925 1.00 13.11 C ATOM 1338 O ASP A 84 -14.828 -28.230 -5.779 1.00 14.51 O ATOM 1339 CB ASP A 84 -15.661 -25.758 -3.972 1.00 32.35 C ATOM 1340 CG ASP A 84 -16.918 -26.400 -4.527 1.00 13.23 C ATOM 1341 OD1 ASP A 84 -17.442 -25.896 -5.543 1.00 20.04 O ATOM 1342 OD2 ASP A 84 -17.377 -27.405 -3.946 1.00 2.43 O ATOM 0 H ASP A 84 -15.507 -25.433 -6.500 1.00 3.15 H new ATOM 0 HA ASP A 84 -13.547 -25.640 -4.332 1.00 53.12 H new ATOM 0 HB2 ASP A 84 -15.497 -26.108 -2.953 1.00 32.35 H new ATOM 0 HB3 ASP A 84 -15.801 -24.678 -3.920 1.00 32.35 H new ATOM 1347 N ASN A 85 -13.391 -28.123 -4.052 1.00 44.04 N ATOM 1348 CA ASN A 85 -13.116 -29.555 -4.049 1.00 71.43 C ATOM 1349 C ASN A 85 -12.684 -30.029 -5.434 1.00 40.34 C ATOM 1350 O ASN A 85 -13.402 -30.755 -6.122 1.00 1.02 O ATOM 1351 CB ASN A 85 -14.355 -30.332 -3.597 1.00 4.44 C ATOM 1352 CG ASN A 85 -14.522 -30.325 -2.090 1.00 2.44 C ATOM 1353 OD1 ASN A 85 -13.602 -30.675 -1.350 1.00 2.13 O ATOM 1354 ND2 ASN A 85 -15.702 -29.926 -1.628 1.00 5.30 N ATOM 0 H ASN A 85 -12.889 -27.596 -3.337 1.00 44.04 H new ATOM 0 HA ASN A 85 -12.301 -29.742 -3.349 1.00 71.43 H new ATOM 0 HB2 ASN A 85 -15.241 -29.899 -4.060 1.00 4.44 H new ATOM 0 HB3 ASN A 85 -14.283 -31.362 -3.947 1.00 4.44 H new ATOM 0 HD21 ASN A 85 -15.874 -29.901 -0.623 1.00 5.30 H new ATOM 0 HD22 ASN A 85 -16.436 -29.645 -2.278 1.00 5.30 H new ATOM 1361 N PRO A 86 -11.481 -29.609 -5.854 1.00 1.42 N ATOM 1362 CA PRO A 86 -10.924 -29.978 -7.158 1.00 51.23 C ATOM 1363 C PRO A 86 -10.543 -31.453 -7.230 1.00 14.25 C ATOM 1364 O PRO A 86 -9.806 -31.954 -6.381 1.00 64.11 O ATOM 1365 CB PRO A 86 -9.678 -29.097 -7.275 1.00 31.21 C ATOM 1366 CG PRO A 86 -9.288 -28.805 -5.867 1.00 24.11 C ATOM 1367 CD PRO A 86 -10.572 -28.741 -5.087 1.00 22.24 C ATOM 0 HA PRO A 86 -11.643 -29.831 -7.964 1.00 51.23 H new ATOM 0 HB2 PRO A 86 -8.879 -29.611 -7.809 1.00 31.21 H new ATOM 0 HB3 PRO A 86 -9.891 -28.180 -7.825 1.00 31.21 H new ATOM 0 HG2 PRO A 86 -8.631 -29.582 -5.475 1.00 24.11 H new ATOM 0 HG3 PRO A 86 -8.743 -27.863 -5.800 1.00 24.11 H new ATOM 0 HD2 PRO A 86 -10.440 -29.100 -4.066 1.00 22.24 H new ATOM 0 HD3 PRO A 86 -10.951 -27.721 -5.020 1.00 22.24 H new ATOM 1375 N ARG A 87 -11.049 -32.142 -8.247 1.00 13.21 N ATOM 1376 CA ARG A 87 -10.762 -33.560 -8.428 1.00 44.13 C ATOM 1377 C ARG A 87 -9.511 -33.756 -9.280 1.00 23.03 C ATOM 1378 O ARG A 87 -9.331 -33.094 -10.302 1.00 13.44 O ATOM 1379 CB ARG A 87 -11.952 -34.264 -9.081 1.00 71.02 C ATOM 1380 CG ARG A 87 -11.869 -35.781 -9.024 1.00 11.41 C ATOM 1381 CD ARG A 87 -12.136 -36.300 -7.620 1.00 42.11 C ATOM 1382 NE ARG A 87 -12.669 -37.660 -7.631 1.00 45.33 N ATOM 1383 CZ ARG A 87 -11.930 -38.736 -7.876 1.00 21.53 C ATOM 1384 NH1 ARG A 87 -10.634 -38.612 -8.127 1.00 12.10 N ATOM 1385 NH2 ARG A 87 -12.487 -39.941 -7.869 1.00 35.02 N ATOM 0 H ARG A 87 -11.660 -31.741 -8.959 1.00 13.21 H new ATOM 0 HA ARG A 87 -10.585 -33.998 -7.446 1.00 44.13 H new ATOM 0 HB2 ARG A 87 -12.869 -33.940 -8.589 1.00 71.02 H new ATOM 0 HB3 ARG A 87 -12.021 -33.951 -10.123 1.00 71.02 H new ATOM 0 HG2 ARG A 87 -12.592 -36.212 -9.716 1.00 11.41 H new ATOM 0 HG3 ARG A 87 -10.881 -36.105 -9.351 1.00 11.41 H new ATOM 0 HD2 ARG A 87 -11.211 -36.278 -7.043 1.00 42.11 H new ATOM 0 HD3 ARG A 87 -12.841 -35.638 -7.117 1.00 42.11 H new ATOM 0 HE ARG A 87 -13.662 -37.790 -7.440 1.00 45.33 H new ATOM 0 HH11 ARG A 87 -10.202 -37.688 -8.132 1.00 12.10 H new ATOM 0 HH12 ARG A 87 -10.069 -39.440 -8.315 1.00 12.10 H new ATOM 0 HH21 ARG A 87 -13.483 -40.041 -7.675 1.00 35.02 H new ATOM 0 HH22 ARG A 87 -11.919 -40.767 -8.057 1.00 35.02 H new ATOM 1399 N THR A 88 -8.647 -34.672 -8.851 1.00 74.33 N ATOM 1400 CA THR A 88 -7.413 -34.955 -9.573 1.00 41.40 C ATOM 1401 C THR A 88 -7.631 -36.025 -10.636 1.00 20.30 C ATOM 1402 O THR A 88 -7.831 -37.198 -10.317 1.00 42.34 O ATOM 1403 CB THR A 88 -6.297 -35.416 -8.616 1.00 61.55 C ATOM 1404 OG1 THR A 88 -6.308 -34.616 -7.429 1.00 24.23 O ATOM 1405 CG2 THR A 88 -4.935 -35.319 -9.288 1.00 34.32 C ATOM 0 H THR A 88 -8.780 -35.230 -8.007 1.00 74.33 H new ATOM 0 HA THR A 88 -7.108 -34.026 -10.055 1.00 41.40 H new ATOM 0 HB THR A 88 -6.481 -36.457 -8.352 1.00 61.55 H new ATOM 0 HG1 THR A 88 -5.597 -34.917 -6.825 1.00 24.23 H new ATOM 0 HG21 THR A 88 -4.162 -35.649 -8.594 1.00 34.32 H new ATOM 0 HG22 THR A 88 -4.921 -35.952 -10.175 1.00 34.32 H new ATOM 0 HG23 THR A 88 -4.745 -34.285 -9.577 1.00 34.32 H new ATOM 1413 N ILE A 89 -7.590 -35.616 -11.899 1.00 0.55 N ATOM 1414 CA ILE A 89 -7.781 -36.541 -13.009 1.00 14.31 C ATOM 1415 C ILE A 89 -6.628 -37.535 -13.100 1.00 73.42 C ATOM 1416 O ILE A 89 -5.483 -37.205 -12.792 1.00 34.34 O ATOM 1417 CB ILE A 89 -7.906 -35.794 -14.349 1.00 51.34 C ATOM 1418 CG1 ILE A 89 -6.632 -34.997 -14.636 1.00 64.01 C ATOM 1419 CG2 ILE A 89 -9.119 -34.875 -14.332 1.00 61.25 C ATOM 1420 CD1 ILE A 89 -6.659 -34.270 -15.962 1.00 41.01 C ATOM 0 H ILE A 89 -7.426 -34.649 -12.180 1.00 0.55 H new ATOM 0 HA ILE A 89 -8.708 -37.080 -12.815 1.00 14.31 H new ATOM 0 HB ILE A 89 -8.040 -36.527 -15.145 1.00 51.34 H new ATOM 0 HG12 ILE A 89 -6.479 -34.272 -13.837 1.00 64.01 H new ATOM 0 HG13 ILE A 89 -5.778 -35.674 -14.620 1.00 64.01 H new ATOM 0 HG21 ILE A 89 -9.194 -34.354 -15.286 1.00 61.25 H new ATOM 0 HG22 ILE A 89 -10.021 -35.466 -14.169 1.00 61.25 H new ATOM 0 HG23 ILE A 89 -9.012 -34.147 -13.528 1.00 61.25 H new ATOM 0 HD11 ILE A 89 -5.724 -33.727 -16.098 1.00 41.01 H new ATOM 0 HD12 ILE A 89 -6.780 -34.991 -16.770 1.00 41.01 H new ATOM 0 HD13 ILE A 89 -7.492 -33.567 -15.975 1.00 41.01 H new ATOM 1432 N VAL A 90 -6.939 -38.755 -13.527 1.00 31.03 N ATOM 1433 CA VAL A 90 -5.929 -39.799 -13.662 1.00 53.03 C ATOM 1434 C VAL A 90 -5.904 -40.359 -15.079 1.00 71.42 C ATOM 1435 O VAL A 90 -6.940 -40.675 -15.667 1.00 4.10 O ATOM 1436 CB VAL A 90 -6.176 -40.951 -12.670 1.00 0.33 C ATOM 1437 CG1 VAL A 90 -7.560 -41.546 -12.878 1.00 30.03 C ATOM 1438 CG2 VAL A 90 -5.100 -42.016 -12.814 1.00 31.55 C ATOM 0 H VAL A 90 -7.882 -39.045 -13.785 1.00 31.03 H new ATOM 0 HA VAL A 90 -4.966 -39.339 -13.440 1.00 53.03 H new ATOM 0 HB VAL A 90 -6.127 -40.553 -11.656 1.00 0.33 H new ATOM 0 HG11 VAL A 90 -7.717 -42.358 -12.169 1.00 30.03 H new ATOM 0 HG12 VAL A 90 -8.315 -40.776 -12.720 1.00 30.03 H new ATOM 0 HG13 VAL A 90 -7.642 -41.931 -13.894 1.00 30.03 H new ATOM 0 HG21 VAL A 90 -5.289 -42.823 -12.106 1.00 31.55 H new ATOM 0 HG22 VAL A 90 -5.115 -42.413 -13.829 1.00 31.55 H new ATOM 0 HG23 VAL A 90 -4.124 -41.576 -12.610 1.00 31.55 H new ATOM 1448 N PRO A 91 -4.695 -40.487 -15.644 1.00 22.54 N ATOM 1449 CA PRO A 91 -4.505 -41.012 -16.999 1.00 31.32 C ATOM 1450 C PRO A 91 -4.816 -42.503 -17.092 1.00 44.25 C ATOM 1451 O PRO A 91 -4.257 -43.312 -16.352 1.00 0.31 O ATOM 1452 CB PRO A 91 -3.021 -40.757 -17.274 1.00 54.12 C ATOM 1453 CG PRO A 91 -2.388 -40.717 -15.926 1.00 64.02 C ATOM 1454 CD PRO A 91 -3.418 -40.132 -15.002 1.00 2.02 C ATOM 0 HA PRO A 91 -5.173 -40.537 -17.717 1.00 31.32 H new ATOM 0 HB2 PRO A 91 -2.591 -41.547 -17.890 1.00 54.12 H new ATOM 0 HB3 PRO A 91 -2.873 -39.819 -17.809 1.00 54.12 H new ATOM 0 HG2 PRO A 91 -2.096 -41.716 -15.602 1.00 64.02 H new ATOM 0 HG3 PRO A 91 -1.484 -40.109 -15.938 1.00 64.02 H new ATOM 0 HD2 PRO A 91 -3.342 -40.552 -13.999 1.00 2.02 H new ATOM 0 HD3 PRO A 91 -3.304 -39.052 -14.905 1.00 2.02 H new ATOM 1462 N LYS A 92 -5.710 -42.860 -18.009 1.00 11.54 N ATOM 1463 CA LYS A 92 -6.094 -44.253 -18.202 1.00 1.04 C ATOM 1464 C LYS A 92 -4.957 -45.048 -18.834 1.00 43.41 C ATOM 1465 O LYS A 92 -3.904 -44.497 -19.153 1.00 52.15 O ATOM 1466 CB LYS A 92 -7.344 -44.342 -19.080 1.00 0.12 C ATOM 1467 CG LYS A 92 -7.165 -43.727 -20.457 1.00 41.11 C ATOM 1468 CD LYS A 92 -6.611 -44.735 -21.450 1.00 31.23 C ATOM 1469 CE LYS A 92 -6.959 -44.355 -22.882 1.00 3.55 C ATOM 1470 NZ LYS A 92 -8.431 -44.336 -23.109 1.00 4.33 N ATOM 0 H LYS A 92 -6.182 -42.203 -18.630 1.00 11.54 H new ATOM 0 HA LYS A 92 -6.314 -44.682 -17.224 1.00 1.04 H new ATOM 0 HB2 LYS A 92 -7.625 -45.389 -19.193 1.00 0.12 H new ATOM 0 HB3 LYS A 92 -8.170 -43.843 -18.573 1.00 0.12 H new ATOM 0 HG2 LYS A 92 -8.123 -43.350 -20.816 1.00 41.11 H new ATOM 0 HG3 LYS A 92 -6.491 -42.873 -20.390 1.00 41.11 H new ATOM 0 HD2 LYS A 92 -5.528 -44.797 -21.342 1.00 31.23 H new ATOM 0 HD3 LYS A 92 -7.011 -45.724 -21.227 1.00 31.23 H new ATOM 0 HE2 LYS A 92 -6.544 -43.373 -23.108 1.00 3.55 H new ATOM 0 HE3 LYS A 92 -6.495 -45.063 -23.569 1.00 3.55 H new ATOM 0 HZ1 LYS A 92 -8.629 -44.497 -24.117 1.00 4.33 H new ATOM 0 HZ2 LYS A 92 -8.879 -45.086 -22.544 1.00 4.33 H new ATOM 0 HZ3 LYS A 92 -8.814 -43.412 -22.824 1.00 4.33 H new ATOM 1484 N SER A 93 -5.177 -46.347 -19.014 1.00 54.41 N ATOM 1485 CA SER A 93 -4.171 -47.218 -19.608 1.00 1.50 C ATOM 1486 C SER A 93 -4.815 -48.230 -20.549 1.00 63.22 C ATOM 1487 O SER A 93 -6.033 -48.240 -20.730 1.00 21.31 O ATOM 1488 CB SER A 93 -3.388 -47.947 -18.513 1.00 53.05 C ATOM 1489 OG SER A 93 -4.184 -48.944 -17.896 1.00 14.25 O ATOM 0 H SER A 93 -6.044 -46.819 -18.756 1.00 54.41 H new ATOM 0 HA SER A 93 -3.484 -46.599 -20.185 1.00 1.50 H new ATOM 0 HB2 SER A 93 -2.496 -48.403 -18.942 1.00 53.05 H new ATOM 0 HB3 SER A 93 -3.051 -47.231 -17.764 1.00 53.05 H new ATOM 0 HG SER A 93 -3.661 -49.397 -17.202 1.00 14.25 H new ATOM 1495 N TYR A 94 -3.988 -49.082 -21.147 1.00 20.14 N ATOM 1496 CA TYR A 94 -4.476 -50.098 -22.072 1.00 43.44 C ATOM 1497 C TYR A 94 -3.380 -51.107 -22.400 1.00 3.41 C ATOM 1498 O TYR A 94 -2.254 -50.733 -22.731 1.00 72.52 O ATOM 1499 CB TYR A 94 -4.984 -49.444 -23.359 1.00 1.03 C ATOM 1500 CG TYR A 94 -4.031 -48.421 -23.936 1.00 14.44 C ATOM 1501 CD1 TYR A 94 -3.013 -48.801 -24.800 1.00 24.31 C ATOM 1502 CD2 TYR A 94 -4.150 -47.074 -23.615 1.00 72.40 C ATOM 1503 CE1 TYR A 94 -2.139 -47.870 -25.328 1.00 10.03 C ATOM 1504 CE2 TYR A 94 -3.282 -46.136 -24.139 1.00 73.55 C ATOM 1505 CZ TYR A 94 -2.279 -46.539 -24.995 1.00 63.12 C ATOM 1506 OH TYR A 94 -1.413 -45.608 -25.519 1.00 44.42 O ATOM 0 H TYR A 94 -2.978 -49.089 -21.007 1.00 20.14 H new ATOM 0 HA TYR A 94 -5.299 -50.626 -21.591 1.00 43.44 H new ATOM 0 HB2 TYR A 94 -5.166 -50.219 -24.103 1.00 1.03 H new ATOM 0 HB3 TYR A 94 -5.942 -48.964 -23.159 1.00 1.03 H new ATOM 0 HD1 TYR A 94 -2.902 -49.842 -25.064 1.00 24.31 H new ATOM 0 HD2 TYR A 94 -4.934 -46.755 -22.945 1.00 72.40 H new ATOM 0 HE1 TYR A 94 -1.351 -48.183 -25.997 1.00 10.03 H new ATOM 0 HE2 TYR A 94 -3.388 -45.093 -23.880 1.00 73.55 H new ATOM 0 HH TYR A 94 -1.649 -44.717 -25.186 1.00 44.42 H new ATOM 1516 N ALA A 95 -3.718 -52.389 -22.307 1.00 3.23 N ATOM 1517 CA ALA A 95 -2.764 -53.453 -22.595 1.00 35.44 C ATOM 1518 C ALA A 95 -2.926 -53.964 -24.023 1.00 54.54 C ATOM 1519 O ALA A 95 -1.953 -54.352 -24.667 1.00 62.23 O ATOM 1520 CB ALA A 95 -2.931 -54.595 -21.603 1.00 13.33 C ATOM 0 H ALA A 95 -4.645 -52.716 -22.035 1.00 3.23 H new ATOM 0 HA ALA A 95 -1.759 -53.043 -22.495 1.00 35.44 H new ATOM 0 HB1 ALA A 95 -2.212 -55.382 -21.830 1.00 13.33 H new ATOM 0 HB2 ALA A 95 -2.758 -54.227 -20.592 1.00 13.33 H new ATOM 0 HB3 ALA A 95 -3.942 -54.995 -21.676 1.00 13.33 H new ATOM 1526 N ASP A 96 -4.162 -53.958 -24.511 1.00 62.43 N ATOM 1527 CA ASP A 96 -4.451 -54.420 -25.863 1.00 60.34 C ATOM 1528 C ASP A 96 -3.664 -55.686 -26.186 1.00 40.11 C ATOM 1529 O ASP A 96 -3.164 -55.852 -27.298 1.00 11.52 O ATOM 1530 CB ASP A 96 -4.120 -53.326 -26.880 1.00 72.42 C ATOM 1531 CG ASP A 96 -2.634 -53.044 -26.964 1.00 4.14 C ATOM 1532 OD1 ASP A 96 -2.137 -52.238 -26.150 1.00 44.01 O ATOM 1533 OD2 ASP A 96 -1.967 -53.628 -27.844 1.00 71.11 O ATOM 0 H ASP A 96 -4.979 -53.638 -23.991 1.00 62.43 H new ATOM 0 HA ASP A 96 -5.515 -54.651 -25.921 1.00 60.34 H new ATOM 0 HB2 ASP A 96 -4.486 -53.624 -27.862 1.00 72.42 H new ATOM 0 HB3 ASP A 96 -4.646 -52.411 -26.608 1.00 72.42 H new ATOM 1538 N ASN A 97 -3.557 -56.577 -25.204 1.00 53.25 N ATOM 1539 CA ASN A 97 -2.828 -57.827 -25.383 1.00 34.31 C ATOM 1540 C ASN A 97 -3.736 -58.907 -25.962 1.00 74.14 C ATOM 1541 O ASN A 97 -4.961 -58.822 -25.866 1.00 11.21 O ATOM 1542 CB ASN A 97 -2.245 -58.297 -24.050 1.00 13.33 C ATOM 1543 CG ASN A 97 -3.259 -59.047 -23.207 1.00 43.43 C ATOM 1544 OD1 ASN A 97 -3.261 -60.278 -23.168 1.00 52.03 O ATOM 1545 ND2 ASN A 97 -4.128 -58.307 -22.528 1.00 1.40 N ATOM 0 H ASN A 97 -3.966 -56.456 -24.277 1.00 53.25 H new ATOM 0 HA ASN A 97 -2.014 -57.647 -26.085 1.00 34.31 H new ATOM 0 HB2 ASN A 97 -1.386 -58.941 -24.239 1.00 13.33 H new ATOM 0 HB3 ASN A 97 -1.880 -57.435 -23.492 1.00 13.33 H new ATOM 0 HD21 ASN A 97 -4.834 -58.756 -21.945 1.00 1.40 H new ATOM 0 HD22 ASN A 97 -4.089 -57.290 -22.590 1.00 1.40 H new ATOM 1552 N PHE A 98 -3.128 -59.924 -26.565 1.00 40.20 N ATOM 1553 CA PHE A 98 -3.881 -61.021 -27.160 1.00 34.23 C ATOM 1554 C PHE A 98 -3.626 -62.326 -26.410 1.00 60.41 C ATOM 1555 O PHE A 98 -2.822 -62.373 -25.479 1.00 22.14 O ATOM 1556 CB PHE A 98 -3.506 -61.185 -28.635 1.00 22.14 C ATOM 1557 CG PHE A 98 -3.873 -60.000 -29.482 1.00 0.55 C ATOM 1558 CD1 PHE A 98 -5.157 -59.861 -29.982 1.00 13.33 C ATOM 1559 CD2 PHE A 98 -2.933 -59.026 -29.777 1.00 51.02 C ATOM 1560 CE1 PHE A 98 -5.499 -58.772 -30.761 1.00 42.12 C ATOM 1561 CE2 PHE A 98 -3.269 -57.934 -30.556 1.00 20.24 C ATOM 1562 CZ PHE A 98 -4.553 -57.808 -31.049 1.00 45.23 C ATOM 0 H PHE A 98 -2.116 -60.011 -26.654 1.00 40.20 H new ATOM 0 HA PHE A 98 -4.942 -60.782 -27.087 1.00 34.23 H new ATOM 0 HB2 PHE A 98 -2.433 -61.358 -28.712 1.00 22.14 H new ATOM 0 HB3 PHE A 98 -4.001 -62.072 -29.031 1.00 22.14 H new ATOM 0 HD1 PHE A 98 -5.900 -60.613 -29.760 1.00 13.33 H new ATOM 0 HD2 PHE A 98 -1.927 -59.121 -29.395 1.00 51.02 H new ATOM 0 HE1 PHE A 98 -6.504 -58.675 -31.144 1.00 42.12 H new ATOM 0 HE2 PHE A 98 -2.528 -57.180 -30.779 1.00 20.24 H new ATOM 0 HZ PHE A 98 -4.817 -56.957 -31.659 1.00 45.23 H new ATOM 1572 N THR A 99 -4.317 -63.384 -26.824 1.00 71.31 N ATOM 1573 CA THR A 99 -4.167 -64.688 -26.192 1.00 24.22 C ATOM 1574 C THR A 99 -3.444 -65.666 -27.112 1.00 5.51 C ATOM 1575 O THR A 99 -3.827 -66.830 -27.223 1.00 64.45 O ATOM 1576 CB THR A 99 -5.533 -65.284 -25.802 1.00 73.42 C ATOM 1577 OG1 THR A 99 -6.397 -65.319 -26.944 1.00 5.22 O ATOM 1578 CG2 THR A 99 -6.183 -64.469 -24.694 1.00 43.31 C ATOM 0 H THR A 99 -4.986 -63.363 -27.594 1.00 71.31 H new ATOM 0 HA THR A 99 -3.574 -64.535 -25.290 1.00 24.22 H new ATOM 0 HB THR A 99 -5.371 -66.299 -25.438 1.00 73.42 H new ATOM 0 HG1 THR A 99 -7.262 -65.701 -26.688 1.00 5.22 H new ATOM 0 HG21 THR A 99 -7.146 -64.909 -24.436 1.00 43.31 H new ATOM 0 HG22 THR A 99 -5.537 -64.468 -23.816 1.00 43.31 H new ATOM 0 HG23 THR A 99 -6.332 -63.445 -25.035 1.00 43.31 H new ATOM 1586 N LYS A 100 -2.394 -65.184 -27.769 1.00 64.55 N ATOM 1587 CA LYS A 100 -1.614 -66.015 -28.680 1.00 34.51 C ATOM 1588 C LYS A 100 -2.493 -66.575 -29.794 1.00 52.32 C ATOM 1589 O LYS A 100 -2.796 -67.767 -29.840 1.00 63.01 O ATOM 1590 CB LYS A 100 -0.951 -67.163 -27.914 1.00 55.41 C ATOM 1591 CG LYS A 100 0.136 -67.872 -28.702 1.00 53.24 C ATOM 1592 CD LYS A 100 1.372 -67.000 -28.856 1.00 71.31 C ATOM 1593 CE LYS A 100 2.356 -67.598 -29.850 1.00 35.30 C ATOM 1594 NZ LYS A 100 3.361 -66.599 -30.304 1.00 51.51 N ATOM 0 H LYS A 100 -2.063 -64.222 -27.688 1.00 64.55 H new ATOM 0 HA LYS A 100 -0.841 -65.391 -29.130 1.00 34.51 H new ATOM 0 HB2 LYS A 100 -0.523 -66.773 -26.991 1.00 55.41 H new ATOM 0 HB3 LYS A 100 -1.714 -67.888 -27.630 1.00 55.41 H new ATOM 0 HG2 LYS A 100 0.405 -68.800 -28.198 1.00 53.24 H new ATOM 0 HG3 LYS A 100 -0.245 -68.142 -29.687 1.00 53.24 H new ATOM 0 HD2 LYS A 100 1.077 -66.005 -29.188 1.00 71.31 H new ATOM 0 HD3 LYS A 100 1.858 -66.882 -27.888 1.00 71.31 H new ATOM 0 HE2 LYS A 100 2.867 -68.444 -29.391 1.00 35.30 H new ATOM 0 HE3 LYS A 100 1.812 -67.984 -30.712 1.00 35.30 H new ATOM 0 HZ1 LYS A 100 4.013 -67.045 -30.980 1.00 51.51 H new ATOM 0 HZ2 LYS A 100 2.876 -65.803 -30.765 1.00 51.51 H new ATOM 0 HZ3 LYS A 100 3.898 -66.249 -29.485 1.00 51.51 H new ATOM 1608 N PRO A 101 -2.913 -65.695 -30.716 1.00 12.14 N ATOM 1609 CA PRO A 101 -3.761 -66.079 -31.848 1.00 13.12 C ATOM 1610 C PRO A 101 -3.017 -66.938 -32.864 1.00 64.32 C ATOM 1611 O PRO A 101 -1.935 -66.573 -33.327 1.00 35.21 O ATOM 1612 CB PRO A 101 -4.154 -64.736 -32.469 1.00 22.50 C ATOM 1613 CG PRO A 101 -3.060 -63.805 -32.079 1.00 43.51 C ATOM 1614 CD PRO A 101 -2.591 -64.258 -30.724 1.00 20.33 C ATOM 0 HA PRO A 101 -4.612 -66.684 -31.533 1.00 13.12 H new ATOM 0 HB2 PRO A 101 -4.242 -64.812 -33.553 1.00 22.50 H new ATOM 0 HB3 PRO A 101 -5.118 -64.393 -32.094 1.00 22.50 H new ATOM 0 HG2 PRO A 101 -2.246 -63.835 -32.803 1.00 43.51 H new ATOM 0 HG3 PRO A 101 -3.418 -62.776 -32.044 1.00 43.51 H new ATOM 0 HD2 PRO A 101 -1.523 -64.084 -30.589 1.00 20.33 H new ATOM 0 HD3 PRO A 101 -3.104 -63.726 -29.922 1.00 20.33 H new ATOM 1622 N ARG A 102 -3.603 -68.081 -33.209 1.00 50.24 N ATOM 1623 CA ARG A 102 -2.994 -68.992 -34.171 1.00 14.13 C ATOM 1624 C ARG A 102 -3.564 -68.767 -35.568 1.00 1.22 C ATOM 1625 O ARG A 102 -4.740 -68.440 -35.724 1.00 42.03 O ATOM 1626 CB ARG A 102 -3.220 -70.443 -33.743 1.00 62.11 C ATOM 1627 CG ARG A 102 -2.406 -70.854 -32.527 1.00 51.12 C ATOM 1628 CD ARG A 102 -2.835 -72.217 -32.005 1.00 3.41 C ATOM 1629 NE ARG A 102 -2.022 -72.648 -30.871 1.00 0.10 N ATOM 1630 CZ ARG A 102 -2.177 -72.181 -29.636 1.00 30.41 C ATOM 1631 NH1 ARG A 102 -3.108 -71.274 -29.379 1.00 53.32 N ATOM 1632 NH2 ARG A 102 -1.398 -72.624 -28.656 1.00 52.52 N ATOM 0 H ARG A 102 -4.498 -68.398 -32.837 1.00 50.24 H new ATOM 0 HA ARG A 102 -1.923 -68.791 -34.198 1.00 14.13 H new ATOM 0 HB2 ARG A 102 -4.278 -70.588 -33.527 1.00 62.11 H new ATOM 0 HB3 ARG A 102 -2.971 -71.101 -34.575 1.00 62.11 H new ATOM 0 HG2 ARG A 102 -1.348 -70.879 -32.788 1.00 51.12 H new ATOM 0 HG3 ARG A 102 -2.523 -70.108 -31.740 1.00 51.12 H new ATOM 0 HD2 ARG A 102 -3.883 -72.178 -31.706 1.00 3.41 H new ATOM 0 HD3 ARG A 102 -2.759 -72.952 -32.806 1.00 3.41 H new ATOM 0 HE ARG A 102 -1.296 -73.345 -31.035 1.00 0.10 H new ATOM 0 HH11 ARG A 102 -3.708 -70.932 -30.130 1.00 53.32 H new ATOM 0 HH12 ARG A 102 -3.225 -70.918 -28.430 1.00 53.32 H new ATOM 0 HH21 ARG A 102 -0.681 -73.323 -28.851 1.00 52.52 H new ATOM 0 HH22 ARG A 102 -1.517 -72.266 -27.708 1.00 52.52 H new ATOM 1646 N ASP A 103 -2.721 -68.944 -36.580 1.00 13.10 N ATOM 1647 CA ASP A 103 -3.140 -68.761 -37.965 1.00 0.41 C ATOM 1648 C ASP A 103 -2.560 -69.854 -38.857 1.00 14.43 C ATOM 1649 O ASP A 103 -1.451 -70.335 -38.625 1.00 35.24 O ATOM 1650 CB ASP A 103 -2.705 -67.386 -38.474 1.00 11.11 C ATOM 1651 CG ASP A 103 -3.216 -66.257 -37.601 1.00 3.52 C ATOM 1652 OD1 ASP A 103 -2.549 -65.936 -36.594 1.00 62.22 O ATOM 1653 OD2 ASP A 103 -4.282 -65.693 -37.924 1.00 62.13 O ATOM 0 H ASP A 103 -1.744 -69.214 -36.467 1.00 13.10 H new ATOM 0 HA ASP A 103 -4.227 -68.826 -38.002 1.00 0.41 H new ATOM 0 HB2 ASP A 103 -1.617 -67.345 -38.516 1.00 11.11 H new ATOM 0 HB3 ASP A 103 -3.068 -67.247 -39.492 1.00 11.11 H new ATOM 1658 N MET A 104 -3.319 -70.243 -39.876 1.00 70.11 N ATOM 1659 CA MET A 104 -2.880 -71.280 -40.803 1.00 52.33 C ATOM 1660 C MET A 104 -1.645 -70.829 -41.577 1.00 32.50 C ATOM 1661 O MET A 104 -1.612 -69.729 -42.129 1.00 74.21 O ATOM 1662 CB MET A 104 -4.006 -71.632 -41.777 1.00 64.40 C ATOM 1663 CG MET A 104 -5.023 -72.604 -41.203 1.00 34.44 C ATOM 1664 SD MET A 104 -6.499 -72.753 -42.229 1.00 42.15 S ATOM 1665 CE MET A 104 -7.579 -71.558 -41.445 1.00 65.31 C ATOM 0 H MET A 104 -4.240 -69.856 -40.081 1.00 70.11 H new ATOM 0 HA MET A 104 -2.620 -72.166 -40.223 1.00 52.33 H new ATOM 0 HB2 MET A 104 -4.518 -70.717 -42.074 1.00 64.40 H new ATOM 0 HB3 MET A 104 -3.573 -72.063 -42.680 1.00 64.40 H new ATOM 0 HG2 MET A 104 -4.561 -73.585 -41.094 1.00 34.44 H new ATOM 0 HG3 MET A 104 -5.311 -72.275 -40.205 1.00 34.44 H new ATOM 0 HE1 MET A 104 -8.535 -71.534 -41.968 1.00 65.31 H new ATOM 0 HE2 MET A 104 -7.741 -71.841 -40.405 1.00 65.31 H new ATOM 0 HE3 MET A 104 -7.119 -70.571 -41.485 1.00 65.31 H new TER 1675 MET A 104