USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1091 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 NoAdj-H: A 118 HIS HD1 : A 118 HIS ND1 : A 151 ZNZN :(H bumps) USER MOD Set 1.1: A 85 GLN : amide:sc= -0.832 X(o=-0.28,f=-0.45) USER MOD Set 1.2: A 87 SER OG : rot 117:sc= 0.555 USER MOD Set 2.1: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 65 CYS SG : rot -171:sc= -0.794 USER MOD Set 3.1: A 30 ASN : amide:sc= -0.368 K(o=-0.55,f=-2.2!) USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 1 GLY N :NH3+ -137:sc= -0.101 (180deg=-1.09) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.211 K(o=-0.21,f=-0.91) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 141:sc= 1.18 USER MOD Single : A 14 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.2) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.471 K(o=-0.47,f=-3.4!) USER MOD Single : A 21 HIS : no HE2:sc= 0.189 K(o=0.19,f=-1.5) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= 0.176 K(o=0.18,f=-1.8) USER MOD Single : A 29 GLN : amide:sc= -0.608 K(o=-0.61,f=-1.8) USER MOD Single : A 31 CYS SG : rot 27:sc= -1.45 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 22:sc= 0.268 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -51:sc= 0.497 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.24) USER MOD Single : A 72 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 75 SER OG : rot 180:sc=0.000264 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 40:sc= 1.07 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -3.17 K(o=-3.2,f=-6.8!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.551 USER MOD Single : A 97 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-2.1) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 125 THR OG1 : rot -50:sc= -5.07! USER MOD Single : A 126 MET CE :methyl 148:sc= -1.19 (180deg=-2.12) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.380 2.613 20.692 1.00 0.00 N ATOM 2 CA GLY A 1 16.221 4.049 20.331 1.00 0.00 C ATOM 3 C GLY A 1 15.901 4.246 18.861 1.00 0.00 C ATOM 4 O GLY A 1 16.766 4.656 18.086 1.00 0.00 O ATOM 0 H1 GLY A 1 15.896 2.426 21.593 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.965 2.019 19.946 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.391 2.389 20.789 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.426 4.486 20.935 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.138 4.585 20.575 1.00 0.00 H new ATOM 10 N PRO A 2 14.656 3.962 18.443 1.00 0.00 N ATOM 11 CA PRO A 2 14.238 4.115 17.046 1.00 0.00 C ATOM 12 C PRO A 2 14.562 5.499 16.493 1.00 0.00 C ATOM 13 O PRO A 2 14.929 6.406 17.239 1.00 0.00 O ATOM 14 CB PRO A 2 12.723 3.903 17.102 1.00 0.00 C ATOM 15 CG PRO A 2 12.504 3.059 18.309 1.00 0.00 C ATOM 16 CD PRO A 2 13.561 3.468 19.298 1.00 0.00 C ATOM 0 HA PRO A 2 14.755 3.417 16.388 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.193 4.852 17.181 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.359 3.408 16.202 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.506 3.215 18.718 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.587 2.000 18.065 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.200 4.242 19.975 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.881 2.628 19.915 1.00 0.00 H new ATOM 24 N TYR A 3 14.424 5.653 15.180 1.00 0.00 N ATOM 25 CA TYR A 3 14.703 6.927 14.527 1.00 0.00 C ATOM 26 C TYR A 3 13.426 7.744 14.359 1.00 0.00 C ATOM 27 O TYR A 3 13.411 8.949 14.610 1.00 0.00 O ATOM 28 CB TYR A 3 15.357 6.693 13.164 1.00 0.00 C ATOM 29 CG TYR A 3 16.516 7.622 12.880 1.00 0.00 C ATOM 30 CD1 TYR A 3 17.542 7.785 13.803 1.00 0.00 C ATOM 31 CD2 TYR A 3 16.584 8.335 11.690 1.00 0.00 C ATOM 32 CE1 TYR A 3 18.603 8.633 13.548 1.00 0.00 C ATOM 33 CE2 TYR A 3 17.642 9.185 11.428 1.00 0.00 C ATOM 34 CZ TYR A 3 18.648 9.331 12.359 1.00 0.00 C ATOM 35 OH TYR A 3 19.703 10.176 12.101 1.00 0.00 O ATOM 0 H TYR A 3 14.121 4.912 14.548 1.00 0.00 H new ATOM 0 HA TYR A 3 15.390 7.488 15.160 1.00 0.00 H new ATOM 0 HB2 TYR A 3 15.707 5.662 13.111 1.00 0.00 H new ATOM 0 HB3 TYR A 3 14.605 6.815 12.384 1.00 0.00 H new ATOM 0 HD1 TYR A 3 17.510 7.240 14.735 1.00 0.00 H new ATOM 0 HD2 TYR A 3 15.798 8.224 10.958 1.00 0.00 H new ATOM 0 HE1 TYR A 3 19.393 8.749 14.276 1.00 0.00 H new ATOM 0 HE2 TYR A 3 17.680 9.732 10.498 1.00 0.00 H new ATOM 0 HH TYR A 3 19.583 10.590 11.221 1.00 0.00 H new ATOM 45 N GLY A 4 12.355 7.080 13.934 1.00 0.00 N ATOM 46 CA GLY A 4 11.089 7.762 13.741 1.00 0.00 C ATOM 47 C GLY A 4 9.914 6.805 13.694 1.00 0.00 C ATOM 48 O GLY A 4 9.233 6.599 14.699 1.00 0.00 O ATOM 0 H GLY A 4 12.342 6.083 13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.939 8.477 14.550 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.126 8.333 12.813 1.00 0.00 H new ATOM 52 N HIS A 5 9.675 6.219 12.525 1.00 0.00 N ATOM 53 CA HIS A 5 8.573 5.280 12.352 1.00 0.00 C ATOM 54 C HIS A 5 9.071 3.839 12.405 1.00 0.00 C ATOM 55 O HIS A 5 8.547 3.018 13.158 1.00 0.00 O ATOM 56 CB HIS A 5 7.862 5.536 11.022 1.00 0.00 C ATOM 57 CG HIS A 5 6.758 6.543 11.119 1.00 0.00 C ATOM 58 ND1 HIS A 5 5.551 6.280 11.734 1.00 0.00 N ATOM 59 CD2 HIS A 5 6.681 7.820 10.675 1.00 0.00 C ATOM 60 CE1 HIS A 5 4.781 7.352 11.663 1.00 0.00 C ATOM 61 NE2 HIS A 5 5.443 8.299 11.027 1.00 0.00 N ATOM 0 H HIS A 5 10.230 6.378 11.684 1.00 0.00 H new ATOM 0 HA HIS A 5 7.868 5.432 13.169 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.592 5.879 10.289 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.454 4.596 10.650 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.450 8.361 10.143 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.780 7.438 12.059 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.092 9.236 10.829 1.00 0.00 H new ATOM 70 N GLN A 6 10.085 3.538 11.601 1.00 0.00 N ATOM 71 CA GLN A 6 10.653 2.195 11.556 1.00 0.00 C ATOM 72 C GLN A 6 9.611 1.181 11.092 1.00 0.00 C ATOM 73 O GLN A 6 8.650 0.893 11.805 1.00 0.00 O ATOM 74 CB GLN A 6 11.195 1.801 12.933 1.00 0.00 C ATOM 75 CG GLN A 6 12.694 1.544 12.945 1.00 0.00 C ATOM 76 CD GLN A 6 13.034 0.085 13.184 1.00 0.00 C ATOM 77 OE1 GLN A 6 12.352 -0.608 13.938 1.00 0.00 O ATOM 78 NE2 GLN A 6 14.094 -0.388 12.539 1.00 0.00 N ATOM 0 H GLN A 6 10.531 4.206 10.972 1.00 0.00 H new ATOM 0 HA GLN A 6 11.475 2.196 10.840 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.965 2.593 13.645 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.678 0.904 13.275 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.121 1.862 11.994 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.157 2.153 13.721 1.00 0.00 H new ATOM 0 HE21 GLN A 6 14.631 0.223 11.923 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.371 -1.362 12.659 1.00 0.00 H new ATOM 87 N SER A 7 9.809 0.642 9.893 1.00 0.00 N ATOM 88 CA SER A 7 8.888 -0.340 9.332 1.00 0.00 C ATOM 89 C SER A 7 7.510 0.275 9.103 1.00 0.00 C ATOM 90 O SER A 7 6.955 0.927 9.987 1.00 0.00 O ATOM 91 CB SER A 7 8.773 -1.553 10.259 1.00 0.00 C ATOM 92 OG SER A 7 9.537 -2.642 9.772 1.00 0.00 O ATOM 0 H SER A 7 10.600 0.869 9.291 1.00 0.00 H new ATOM 0 HA SER A 7 9.285 -0.665 8.370 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.114 -1.284 11.259 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.728 -1.849 10.348 1.00 0.00 H new ATOM 0 HG SER A 7 9.448 -3.403 10.383 1.00 0.00 H new ATOM 98 N GLY A 8 6.964 0.064 7.909 1.00 0.00 N ATOM 99 CA GLY A 8 5.657 0.605 7.586 1.00 0.00 C ATOM 100 C GLY A 8 4.974 -0.154 6.465 1.00 0.00 C ATOM 101 O GLY A 8 4.303 0.442 5.622 1.00 0.00 O ATOM 0 H GLY A 8 7.403 -0.472 7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.027 0.578 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.761 1.652 7.301 1.00 0.00 H new ATOM 105 N ALA A 9 5.144 -1.472 6.455 1.00 0.00 N ATOM 106 CA ALA A 9 4.538 -2.313 5.430 1.00 0.00 C ATOM 107 C ALA A 9 3.322 -3.052 5.976 1.00 0.00 C ATOM 108 O ALA A 9 2.901 -2.820 7.110 1.00 0.00 O ATOM 109 CB ALA A 9 5.559 -3.302 4.889 1.00 0.00 C ATOM 0 H ALA A 9 5.697 -1.981 7.145 1.00 0.00 H new ATOM 0 HA ALA A 9 4.205 -1.669 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.093 -3.924 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.397 -2.758 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.919 -3.934 5.701 1.00 0.00 H new ATOM 115 N VAL A 10 2.761 -3.943 5.165 1.00 0.00 N ATOM 116 CA VAL A 10 1.593 -4.715 5.573 1.00 0.00 C ATOM 117 C VAL A 10 1.795 -6.199 5.286 1.00 0.00 C ATOM 118 O VAL A 10 1.872 -6.611 4.129 1.00 0.00 O ATOM 119 CB VAL A 10 0.318 -4.227 4.857 1.00 0.00 C ATOM 120 CG1 VAL A 10 0.456 -4.377 3.350 1.00 0.00 C ATOM 121 CG2 VAL A 10 -0.904 -4.978 5.367 1.00 0.00 C ATOM 0 H VAL A 10 3.095 -4.148 4.223 1.00 0.00 H new ATOM 0 HA VAL A 10 1.471 -4.569 6.646 1.00 0.00 H new ATOM 0 HB VAL A 10 0.184 -3.169 5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.455 -4.027 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.303 -3.786 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.619 -5.426 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.794 -4.619 4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.780 -6.045 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.014 -4.809 6.438 1.00 0.00 H new ATOM 131 N TYR A 11 1.883 -6.997 6.345 1.00 0.00 N ATOM 132 CA TYR A 11 2.079 -8.434 6.198 1.00 0.00 C ATOM 133 C TYR A 11 0.844 -9.207 6.649 1.00 0.00 C ATOM 134 O TYR A 11 0.267 -8.923 7.699 1.00 0.00 O ATOM 135 CB TYR A 11 3.315 -8.889 6.982 1.00 0.00 C ATOM 136 CG TYR A 11 3.086 -9.043 8.471 1.00 0.00 C ATOM 137 CD1 TYR A 11 2.892 -7.933 9.284 1.00 0.00 C ATOM 138 CD2 TYR A 11 3.066 -10.300 9.061 1.00 0.00 C ATOM 139 CE1 TYR A 11 2.685 -8.072 10.643 1.00 0.00 C ATOM 140 CE2 TYR A 11 2.859 -10.447 10.419 1.00 0.00 C ATOM 141 CZ TYR A 11 2.669 -9.331 11.205 1.00 0.00 C ATOM 142 OH TYR A 11 2.464 -9.473 12.558 1.00 0.00 O ATOM 0 H TYR A 11 1.822 -6.674 7.311 1.00 0.00 H new ATOM 0 HA TYR A 11 2.239 -8.646 5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.657 -9.842 6.578 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.118 -8.169 6.822 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.903 -6.946 8.847 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.215 -11.177 8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.537 -7.199 11.262 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.846 -11.432 10.862 1.00 0.00 H new ATOM 0 HH TYR A 11 1.891 -10.251 12.722 1.00 0.00 H new ATOM 152 N VAL A 12 0.443 -10.183 5.842 1.00 0.00 N ATOM 153 CA VAL A 12 -0.724 -10.999 6.145 1.00 0.00 C ATOM 154 C VAL A 12 -0.352 -12.474 6.289 1.00 0.00 C ATOM 155 O VAL A 12 0.289 -13.053 5.412 1.00 0.00 O ATOM 156 CB VAL A 12 -1.797 -10.852 5.048 1.00 0.00 C ATOM 157 CG1 VAL A 12 -3.003 -11.727 5.346 1.00 0.00 C ATOM 158 CG2 VAL A 12 -2.212 -9.399 4.902 1.00 0.00 C ATOM 0 H VAL A 12 0.912 -10.428 4.970 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.125 -10.643 7.094 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.365 -11.185 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.745 -11.605 4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.692 -12.771 5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.438 -11.434 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.970 -9.314 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.620 -9.041 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.344 -8.798 4.631 1.00 0.00 H new ATOM 168 N GLY A 13 -0.768 -13.077 7.400 1.00 0.00 N ATOM 169 CA GLY A 13 -0.485 -14.482 7.644 1.00 0.00 C ATOM 170 C GLY A 13 0.975 -14.842 7.437 1.00 0.00 C ATOM 171 O GLY A 13 1.864 -14.221 8.020 1.00 0.00 O ATOM 0 H GLY A 13 -1.298 -12.615 8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.773 -14.732 8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.100 -15.090 6.981 1.00 0.00 H new ATOM 175 N ASN A 14 1.218 -15.852 6.606 1.00 0.00 N ATOM 176 CA ASN A 14 2.577 -16.303 6.321 1.00 0.00 C ATOM 177 C ASN A 14 3.176 -15.555 5.131 1.00 0.00 C ATOM 178 O ASN A 14 4.194 -15.968 4.580 1.00 0.00 O ATOM 179 CB ASN A 14 2.586 -17.808 6.047 1.00 0.00 C ATOM 180 CG ASN A 14 1.992 -18.607 7.191 1.00 0.00 C ATOM 181 OD1 ASN A 14 1.622 -18.051 8.225 1.00 0.00 O ATOM 182 ND2 ASN A 14 1.899 -19.919 7.010 1.00 0.00 N ATOM 0 H ASN A 14 0.491 -16.374 6.118 1.00 0.00 H new ATOM 0 HA ASN A 14 3.189 -16.090 7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.025 -18.012 5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.610 -18.137 5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.508 -20.509 7.745 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.218 -20.337 6.136 1.00 0.00 H new ATOM 189 N TYR A 15 2.543 -14.450 4.746 1.00 0.00 N ATOM 190 CA TYR A 15 3.016 -13.638 3.629 1.00 0.00 C ATOM 191 C TYR A 15 3.122 -12.178 4.054 1.00 0.00 C ATOM 192 O TYR A 15 2.276 -11.678 4.793 1.00 0.00 O ATOM 193 CB TYR A 15 2.059 -13.749 2.441 1.00 0.00 C ATOM 194 CG TYR A 15 2.188 -15.031 1.650 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.411 -15.679 1.511 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.077 -15.594 1.038 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.517 -16.849 0.787 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.175 -16.765 0.313 1.00 0.00 C ATOM 199 CZ TYR A 15 2.398 -17.389 0.191 1.00 0.00 C ATOM 200 OH TYR A 15 2.502 -18.556 -0.531 1.00 0.00 O ATOM 0 H TYR A 15 1.698 -14.095 5.193 1.00 0.00 H new ATOM 0 HA TYR A 15 3.998 -14.005 3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.035 -13.663 2.806 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.231 -12.905 1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.291 -15.260 1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.118 -15.107 1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.474 -17.340 0.688 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.299 -17.189 -0.155 1.00 0.00 H new ATOM 0 HH TYR A 15 1.622 -18.802 -0.884 1.00 0.00 H new ATOM 210 N LYS A 16 4.157 -11.496 3.585 1.00 0.00 N ATOM 211 CA LYS A 16 4.356 -10.092 3.922 1.00 0.00 C ATOM 212 C LYS A 16 4.535 -9.254 2.661 1.00 0.00 C ATOM 213 O LYS A 16 5.517 -9.416 1.937 1.00 0.00 O ATOM 214 CB LYS A 16 5.576 -9.934 4.835 1.00 0.00 C ATOM 215 CG LYS A 16 5.953 -8.486 5.113 1.00 0.00 C ATOM 216 CD LYS A 16 6.675 -8.341 6.444 1.00 0.00 C ATOM 217 CE LYS A 16 7.970 -7.558 6.295 1.00 0.00 C ATOM 218 NZ LYS A 16 8.294 -6.781 7.523 1.00 0.00 N ATOM 0 H LYS A 16 4.871 -11.890 2.972 1.00 0.00 H new ATOM 0 HA LYS A 16 3.470 -9.738 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.377 -10.436 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.427 -10.440 4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.590 -8.115 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.054 -7.870 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.024 -7.837 7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.891 -9.329 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.787 -8.246 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.888 -6.878 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.184 -6.262 7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.527 -6.107 7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.398 -7.431 8.328 1.00 0.00 H new ATOM 232 N VAL A 17 3.589 -8.352 2.401 1.00 0.00 N ATOM 233 CA VAL A 17 3.679 -7.501 1.221 1.00 0.00 C ATOM 234 C VAL A 17 4.153 -6.098 1.600 1.00 0.00 C ATOM 235 O VAL A 17 3.530 -5.411 2.413 1.00 0.00 O ATOM 236 CB VAL A 17 2.334 -7.431 0.437 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.468 -8.648 0.725 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.557 -6.156 0.739 1.00 0.00 C ATOM 0 H VAL A 17 2.766 -8.195 2.982 1.00 0.00 H new ATOM 0 HA VAL A 17 4.415 -7.955 0.557 1.00 0.00 H new ATOM 0 HB VAL A 17 2.591 -7.422 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.536 -8.572 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.999 -9.552 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.247 -8.693 1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.628 -6.153 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.330 -6.112 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.157 -5.290 0.460 1.00 0.00 H new ATOM 248 N VAL A 18 5.266 -5.685 1.003 1.00 0.00 N ATOM 249 CA VAL A 18 5.838 -4.371 1.265 1.00 0.00 C ATOM 250 C VAL A 18 6.284 -3.700 -0.032 1.00 0.00 C ATOM 251 O VAL A 18 6.494 -4.367 -1.047 1.00 0.00 O ATOM 252 CB VAL A 18 7.037 -4.467 2.232 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.160 -5.287 1.619 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.534 -3.082 2.613 1.00 0.00 C ATOM 0 H VAL A 18 5.791 -6.245 0.332 1.00 0.00 H new ATOM 0 HA VAL A 18 5.059 -3.766 1.729 1.00 0.00 H new ATOM 0 HB VAL A 18 6.701 -4.971 3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.994 -5.341 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.800 -6.293 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.492 -4.815 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.379 -3.174 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.848 -2.549 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.732 -2.529 3.102 1.00 0.00 H new ATOM 264 N ASN A 19 6.443 -2.381 0.011 1.00 0.00 N ATOM 265 CA ASN A 19 6.883 -1.626 -1.155 1.00 0.00 C ATOM 266 C ASN A 19 8.262 -2.101 -1.605 1.00 0.00 C ATOM 267 O ASN A 19 9.118 -2.412 -0.777 1.00 0.00 O ATOM 268 CB ASN A 19 6.922 -0.130 -0.839 1.00 0.00 C ATOM 269 CG ASN A 19 6.795 0.728 -2.083 1.00 0.00 C ATOM 270 OD1 ASN A 19 7.616 0.642 -2.996 1.00 0.00 O ATOM 271 ND2 ASN A 19 5.762 1.562 -2.123 1.00 0.00 N ATOM 0 H ASN A 19 6.273 -1.813 0.841 1.00 0.00 H new ATOM 0 HA ASN A 19 6.171 -1.795 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.114 0.114 -0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.857 0.107 -0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.624 2.165 -2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.106 1.599 -1.343 1.00 0.00 H new ATOM 278 N ARG A 20 8.472 -2.163 -2.916 1.00 0.00 N ATOM 279 CA ARG A 20 9.750 -2.611 -3.461 1.00 0.00 C ATOM 280 C ARG A 20 10.895 -1.761 -2.920 1.00 0.00 C ATOM 281 O ARG A 20 11.911 -2.287 -2.467 1.00 0.00 O ATOM 282 CB ARG A 20 9.727 -2.545 -4.989 1.00 0.00 C ATOM 283 CG ARG A 20 10.836 -3.349 -5.649 1.00 0.00 C ATOM 284 CD ARG A 20 11.250 -2.744 -6.981 1.00 0.00 C ATOM 285 NE ARG A 20 12.642 -2.301 -6.972 1.00 0.00 N ATOM 286 CZ ARG A 20 13.682 -3.119 -7.114 1.00 0.00 C ATOM 287 NH1 ARG A 20 13.493 -4.422 -7.280 1.00 0.00 N ATOM 288 NH2 ARG A 20 14.915 -2.633 -7.089 1.00 0.00 N ATOM 0 H ARG A 20 7.777 -1.910 -3.619 1.00 0.00 H new ATOM 0 HA ARG A 20 9.909 -3.644 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.764 -2.909 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.809 -1.504 -5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.699 -3.393 -4.985 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.500 -4.374 -5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.109 -3.480 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.602 -1.899 -7.212 1.00 0.00 H new ATOM 0 HE ARG A 20 12.828 -1.306 -6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.546 -4.802 -7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.294 -5.044 -7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.066 -1.632 -6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.712 -3.260 -7.198 1.00 0.00 H new ATOM 302 N HIS A 21 10.719 -0.446 -2.953 1.00 0.00 N ATOM 303 CA HIS A 21 11.738 0.467 -2.450 1.00 0.00 C ATOM 304 C HIS A 21 11.843 0.382 -0.926 1.00 0.00 C ATOM 305 O HIS A 21 12.753 0.954 -0.327 1.00 0.00 O ATOM 306 CB HIS A 21 11.422 1.903 -2.877 1.00 0.00 C ATOM 307 CG HIS A 21 12.520 2.545 -3.667 1.00 0.00 C ATOM 308 ND1 HIS A 21 13.157 3.701 -3.269 1.00 0.00 N ATOM 309 CD2 HIS A 21 13.094 2.186 -4.840 1.00 0.00 C ATOM 310 CE1 HIS A 21 14.075 4.026 -4.163 1.00 0.00 C ATOM 311 NE2 HIS A 21 14.057 3.123 -5.125 1.00 0.00 N ATOM 0 H HIS A 21 9.884 0.011 -3.321 1.00 0.00 H new ATOM 0 HA HIS A 21 12.697 0.174 -2.877 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.508 1.904 -3.471 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.225 2.503 -1.989 1.00 0.00 H new ATOM 0 HD1 HIS A 21 12.952 4.224 -2.418 1.00 0.00 H new ATOM 0 HD2 HIS A 21 12.842 1.324 -5.439 1.00 0.00 H new ATOM 0 HE1 HIS A 21 14.728 4.884 -4.114 1.00 0.00 H new ATOM 320 N LEU A 22 10.904 -0.331 -0.305 1.00 0.00 N ATOM 321 CA LEU A 22 10.892 -0.482 1.145 1.00 0.00 C ATOM 322 C LEU A 22 11.256 -1.906 1.567 1.00 0.00 C ATOM 323 O LEU A 22 11.500 -2.162 2.746 1.00 0.00 O ATOM 324 CB LEU A 22 9.515 -0.117 1.700 1.00 0.00 C ATOM 325 CG LEU A 22 9.482 0.198 3.196 1.00 0.00 C ATOM 326 CD1 LEU A 22 10.174 1.522 3.478 1.00 0.00 C ATOM 327 CD2 LEU A 22 8.047 0.226 3.702 1.00 0.00 C ATOM 0 H LEU A 22 10.143 -0.812 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 22 11.643 0.194 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.138 0.748 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.830 -0.942 1.503 1.00 0.00 H new ATOM 0 HG LEU A 22 10.019 -0.589 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.141 1.729 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.212 1.467 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.666 2.321 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.042 0.452 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.487 0.992 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.583 -0.746 3.534 1.00 0.00 H new ATOM 339 N ALA A 23 11.293 -2.834 0.610 1.00 0.00 N ATOM 340 CA ALA A 23 11.627 -4.215 0.914 1.00 0.00 C ATOM 341 C ALA A 23 13.102 -4.350 1.268 1.00 0.00 C ATOM 342 O ALA A 23 13.937 -3.580 0.794 1.00 0.00 O ATOM 343 CB ALA A 23 11.272 -5.115 -0.260 1.00 0.00 C ATOM 0 H ALA A 23 11.096 -2.651 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 23 11.043 -4.527 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.528 -6.147 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.203 -5.044 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.830 -4.800 -1.142 1.00 0.00 H new ATOM 349 N THR A 24 13.415 -5.329 2.106 1.00 0.00 N ATOM 350 CA THR A 24 14.791 -5.567 2.521 1.00 0.00 C ATOM 351 C THR A 24 15.355 -6.790 1.808 1.00 0.00 C ATOM 352 O THR A 24 14.618 -7.542 1.169 1.00 0.00 O ATOM 353 CB THR A 24 14.864 -5.763 4.036 1.00 0.00 C ATOM 354 OG1 THR A 24 14.176 -6.939 4.424 1.00 0.00 O ATOM 355 CG2 THR A 24 14.277 -4.608 4.819 1.00 0.00 C ATOM 0 H THR A 24 12.735 -5.971 2.512 1.00 0.00 H new ATOM 0 HA THR A 24 15.389 -4.696 2.251 1.00 0.00 H new ATOM 0 HB THR A 24 15.927 -5.833 4.266 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.236 -7.047 5.396 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.361 -4.812 5.886 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.820 -3.693 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.227 -4.486 4.555 1.00 0.00 H new ATOM 363 N HIS A 25 16.664 -6.991 1.923 1.00 0.00 N ATOM 364 CA HIS A 25 17.319 -8.130 1.289 1.00 0.00 C ATOM 365 C HIS A 25 16.652 -9.435 1.711 1.00 0.00 C ATOM 366 O HIS A 25 16.636 -10.411 0.961 1.00 0.00 O ATOM 367 CB HIS A 25 18.804 -8.160 1.653 1.00 0.00 C ATOM 368 CG HIS A 25 19.633 -8.983 0.717 1.00 0.00 C ATOM 369 ND1 HIS A 25 19.088 -9.812 -0.240 1.00 0.00 N ATOM 370 CD2 HIS A 25 20.977 -9.101 0.593 1.00 0.00 C ATOM 371 CE1 HIS A 25 20.060 -10.405 -0.911 1.00 0.00 C ATOM 372 NE2 HIS A 25 21.215 -9.990 -0.426 1.00 0.00 N ATOM 0 H HIS A 25 17.291 -6.381 2.448 1.00 0.00 H new ATOM 0 HA HIS A 25 17.223 -8.022 0.209 1.00 0.00 H new ATOM 0 HB2 HIS A 25 19.188 -7.140 1.664 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.914 -8.553 2.664 1.00 0.00 H new ATOM 0 HD1 HIS A 25 18.090 -9.947 -0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 25 21.722 -8.591 1.185 1.00 0.00 H new ATOM 0 HE1 HIS A 25 19.931 -11.110 -1.719 1.00 0.00 H new ATOM 381 N VAL A 26 16.102 -9.440 2.920 1.00 0.00 N ATOM 382 CA VAL A 26 15.430 -10.616 3.456 1.00 0.00 C ATOM 383 C VAL A 26 14.064 -10.821 2.807 1.00 0.00 C ATOM 384 O VAL A 26 13.605 -11.956 2.655 1.00 0.00 O ATOM 385 CB VAL A 26 15.249 -10.511 4.982 1.00 0.00 C ATOM 386 CG1 VAL A 26 14.706 -11.815 5.549 1.00 0.00 C ATOM 387 CG2 VAL A 26 16.562 -10.137 5.652 1.00 0.00 C ATOM 0 H VAL A 26 16.109 -8.638 3.550 1.00 0.00 H new ATOM 0 HA VAL A 26 16.066 -11.471 3.228 1.00 0.00 H new ATOM 0 HB VAL A 26 14.525 -9.723 5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.585 -11.720 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.740 -12.036 5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.403 -12.624 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.414 -10.068 6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.310 -10.900 5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.904 -9.175 5.270 1.00 0.00 H new ATOM 397 N ASP A 27 13.415 -9.724 2.421 1.00 0.00 N ATOM 398 CA ASP A 27 12.110 -9.803 1.793 1.00 0.00 C ATOM 399 C ASP A 27 12.240 -10.459 0.435 1.00 0.00 C ATOM 400 O ASP A 27 11.448 -11.329 0.073 1.00 0.00 O ATOM 401 CB ASP A 27 11.496 -8.404 1.648 1.00 0.00 C ATOM 402 CG ASP A 27 10.535 -8.076 2.774 1.00 0.00 C ATOM 403 OD1 ASP A 27 10.978 -8.041 3.941 1.00 0.00 O ATOM 404 OD2 ASP A 27 9.339 -7.855 2.488 1.00 0.00 O ATOM 0 H ASP A 27 13.775 -8.776 2.534 1.00 0.00 H new ATOM 0 HA ASP A 27 11.451 -10.402 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.293 -7.661 1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.971 -8.337 0.695 1.00 0.00 H new ATOM 409 N TRP A 28 13.257 -10.045 -0.308 1.00 0.00 N ATOM 410 CA TRP A 28 13.503 -10.601 -1.622 1.00 0.00 C ATOM 411 C TRP A 28 14.095 -12.003 -1.526 1.00 0.00 C ATOM 412 O TRP A 28 13.866 -12.845 -2.394 1.00 0.00 O ATOM 413 CB TRP A 28 14.401 -9.678 -2.443 1.00 0.00 C ATOM 414 CG TRP A 28 13.688 -8.434 -2.868 1.00 0.00 C ATOM 415 CD1 TRP A 28 12.698 -8.334 -3.803 1.00 0.00 C ATOM 416 CD2 TRP A 28 13.893 -7.115 -2.357 1.00 0.00 C ATOM 417 NE1 TRP A 28 12.273 -7.032 -3.902 1.00 0.00 N ATOM 418 CE2 TRP A 28 12.992 -6.264 -3.024 1.00 0.00 C ATOM 419 CE3 TRP A 28 14.751 -6.572 -1.400 1.00 0.00 C ATOM 420 CZ2 TRP A 28 12.925 -4.899 -2.759 1.00 0.00 C ATOM 421 CZ3 TRP A 28 14.685 -5.219 -1.141 1.00 0.00 C ATOM 422 CH2 TRP A 28 13.776 -4.395 -1.816 1.00 0.00 C ATOM 0 H TRP A 28 13.922 -9.327 -0.020 1.00 0.00 H new ATOM 0 HA TRP A 28 12.545 -10.683 -2.136 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.279 -9.410 -1.855 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.758 -10.210 -3.325 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.306 -9.158 -4.380 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.542 -6.692 -4.527 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.454 -7.200 -0.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.226 -4.261 -3.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 15.346 -4.787 -0.404 1.00 0.00 H new ATOM 0 HH2 TRP A 28 13.747 -3.340 -1.587 1.00 0.00 H new ATOM 433 N GLN A 29 14.853 -12.248 -0.461 1.00 0.00 N ATOM 434 CA GLN A 29 15.473 -13.550 -0.247 1.00 0.00 C ATOM 435 C GLN A 29 14.412 -14.644 -0.189 1.00 0.00 C ATOM 436 O GLN A 29 14.566 -15.708 -0.789 1.00 0.00 O ATOM 437 CB GLN A 29 16.293 -13.544 1.045 1.00 0.00 C ATOM 438 CG GLN A 29 17.785 -13.362 0.817 1.00 0.00 C ATOM 439 CD GLN A 29 18.398 -14.503 0.030 1.00 0.00 C ATOM 440 OE1 GLN A 29 18.308 -14.546 -1.197 1.00 0.00 O ATOM 441 NE2 GLN A 29 19.027 -15.437 0.735 1.00 0.00 N ATOM 0 H GLN A 29 15.052 -11.561 0.267 1.00 0.00 H new ATOM 0 HA GLN A 29 16.139 -13.755 -1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.932 -12.744 1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.127 -14.481 1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.956 -12.426 0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.288 -13.278 1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.078 -15.362 1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.459 -16.230 0.260 1.00 0.00 H new ATOM 450 N ASN A 30 13.330 -14.370 0.534 1.00 0.00 N ATOM 451 CA ASN A 30 12.236 -15.325 0.665 1.00 0.00 C ATOM 452 C ASN A 30 10.973 -14.785 0.003 1.00 0.00 C ATOM 453 O ASN A 30 9.861 -15.019 0.476 1.00 0.00 O ATOM 454 CB ASN A 30 11.967 -15.626 2.141 1.00 0.00 C ATOM 455 CG ASN A 30 11.572 -17.072 2.373 1.00 0.00 C ATOM 456 OD1 ASN A 30 11.595 -17.889 1.453 1.00 0.00 O ATOM 457 ND2 ASN A 30 11.207 -17.395 3.608 1.00 0.00 N ATOM 0 H ASN A 30 13.188 -13.494 1.038 1.00 0.00 H new ATOM 0 HA ASN A 30 12.525 -16.249 0.164 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.859 -15.398 2.724 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.173 -14.973 2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.931 -18.353 3.824 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.203 -16.685 4.341 1.00 0.00 H new ATOM 464 N CYS A 31 11.158 -14.054 -1.091 1.00 0.00 N ATOM 465 CA CYS A 31 10.040 -13.468 -1.821 1.00 0.00 C ATOM 466 C CYS A 31 9.366 -14.495 -2.725 1.00 0.00 C ATOM 467 O CYS A 31 10.030 -15.240 -3.445 1.00 0.00 O ATOM 468 CB CYS A 31 10.521 -12.276 -2.655 1.00 0.00 C ATOM 469 SG CYS A 31 9.258 -11.557 -3.732 1.00 0.00 S ATOM 0 H CYS A 31 12.074 -13.853 -1.492 1.00 0.00 H new ATOM 0 HA CYS A 31 9.307 -13.127 -1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.890 -11.502 -1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.365 -12.594 -3.267 1.00 0.00 H new ATOM 0 HG CYS A 31 8.081 -11.770 -3.223 1.00 0.00 H new ATOM 475 N VAL A 32 8.039 -14.513 -2.688 1.00 0.00 N ATOM 476 CA VAL A 32 7.258 -15.427 -3.507 1.00 0.00 C ATOM 477 C VAL A 32 6.742 -14.719 -4.754 1.00 0.00 C ATOM 478 O VAL A 32 6.717 -15.295 -5.841 1.00 0.00 O ATOM 479 CB VAL A 32 6.058 -16.003 -2.731 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.524 -16.996 -1.680 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.250 -14.888 -2.089 1.00 0.00 C ATOM 0 H VAL A 32 7.480 -13.900 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 32 7.919 -16.246 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 32 5.417 -16.529 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.661 -17.390 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.056 -17.815 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.190 -16.496 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.407 -15.316 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.883 -14.332 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.879 -14.215 -2.863 1.00 0.00 H new ATOM 491 N TRP A 33 6.328 -13.465 -4.587 1.00 0.00 N ATOM 492 CA TRP A 33 5.808 -12.681 -5.705 1.00 0.00 C ATOM 493 C TRP A 33 6.311 -11.238 -5.643 1.00 0.00 C ATOM 494 O TRP A 33 6.609 -10.720 -4.568 1.00 0.00 O ATOM 495 CB TRP A 33 4.273 -12.724 -5.705 1.00 0.00 C ATOM 496 CG TRP A 33 3.625 -11.566 -6.407 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.111 -11.550 -7.672 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.423 -10.255 -5.875 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.603 -10.305 -7.957 1.00 0.00 N ATOM 500 CE2 TRP A 33 2.783 -9.492 -6.868 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.722 -9.654 -4.652 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.440 -8.156 -6.671 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.383 -8.330 -4.459 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.747 -7.595 -5.465 1.00 0.00 C ATOM 0 H TRP A 33 6.342 -12.972 -3.694 1.00 0.00 H new ATOM 0 HA TRP A 33 6.171 -13.118 -6.635 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.947 -13.650 -6.178 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.921 -12.752 -4.674 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.105 -12.392 -8.349 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.164 -10.031 -8.836 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.211 -10.215 -3.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 1.949 -7.585 -7.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.612 -7.854 -3.517 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.493 -6.561 -5.284 1.00 0.00 H new ATOM 515 N GLU A 34 6.398 -10.596 -6.804 1.00 0.00 N ATOM 516 CA GLU A 34 6.860 -9.214 -6.882 1.00 0.00 C ATOM 517 C GLU A 34 6.434 -8.569 -8.198 1.00 0.00 C ATOM 518 O GLU A 34 6.795 -9.039 -9.277 1.00 0.00 O ATOM 519 CB GLU A 34 8.383 -9.155 -6.739 1.00 0.00 C ATOM 520 CG GLU A 34 8.948 -7.745 -6.808 1.00 0.00 C ATOM 521 CD GLU A 34 9.820 -7.523 -8.029 1.00 0.00 C ATOM 522 OE1 GLU A 34 11.002 -7.925 -7.995 1.00 0.00 O ATOM 523 OE2 GLU A 34 9.320 -6.948 -9.018 1.00 0.00 O ATOM 0 H GLU A 34 6.155 -11.010 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 34 6.403 -8.658 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.668 -9.605 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.837 -9.758 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.126 -7.029 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.532 -7.547 -5.909 1.00 0.00 H new ATOM 530 N ASP A 35 5.664 -7.489 -8.100 1.00 0.00 N ATOM 531 CA ASP A 35 5.189 -6.779 -9.282 1.00 0.00 C ATOM 532 C ASP A 35 5.920 -5.452 -9.453 1.00 0.00 C ATOM 533 O ASP A 35 5.752 -4.530 -8.654 1.00 0.00 O ATOM 534 CB ASP A 35 3.682 -6.534 -9.186 1.00 0.00 C ATOM 535 CG ASP A 35 2.872 -7.688 -9.744 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.436 -8.792 -9.893 1.00 0.00 O ATOM 537 OD2 ASP A 35 1.673 -7.487 -10.031 1.00 0.00 O ATOM 0 H ASP A 35 5.356 -7.087 -7.215 1.00 0.00 H new ATOM 0 HA ASP A 35 5.395 -7.401 -10.153 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.409 -6.373 -8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.430 -5.622 -9.727 1.00 0.00 H new ATOM 542 N TYR A 36 6.733 -5.366 -10.501 1.00 0.00 N ATOM 543 CA TYR A 36 7.494 -4.156 -10.784 1.00 0.00 C ATOM 544 C TYR A 36 6.564 -2.972 -11.034 1.00 0.00 C ATOM 545 O TYR A 36 6.798 -1.872 -10.534 1.00 0.00 O ATOM 546 CB TYR A 36 8.401 -4.375 -11.995 1.00 0.00 C ATOM 547 CG TYR A 36 9.729 -3.659 -11.897 1.00 0.00 C ATOM 548 CD1 TYR A 36 10.668 -4.023 -10.939 1.00 0.00 C ATOM 549 CD2 TYR A 36 10.045 -2.618 -12.762 1.00 0.00 C ATOM 550 CE1 TYR A 36 11.882 -3.371 -10.846 1.00 0.00 C ATOM 551 CE2 TYR A 36 11.258 -1.962 -12.676 1.00 0.00 C ATOM 552 CZ TYR A 36 12.173 -2.342 -11.716 1.00 0.00 C ATOM 553 OH TYR A 36 13.382 -1.690 -11.628 1.00 0.00 O ATOM 0 H TYR A 36 6.881 -6.122 -11.169 1.00 0.00 H new ATOM 0 HA TYR A 36 8.109 -3.930 -9.913 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.582 -5.443 -12.114 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.882 -4.038 -12.892 1.00 0.00 H new ATOM 0 HD1 TYR A 36 10.445 -4.829 -10.256 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.331 -2.317 -13.514 1.00 0.00 H new ATOM 0 HE1 TYR A 36 12.600 -3.666 -10.095 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.489 -1.156 -13.357 1.00 0.00 H new ATOM 0 HH TYR A 36 13.428 -0.992 -12.314 1.00 0.00 H new ATOM 563 N ASN A 37 5.507 -3.205 -11.807 1.00 0.00 N ATOM 564 CA ASN A 37 4.543 -2.159 -12.117 1.00 0.00 C ATOM 565 C ASN A 37 3.799 -1.720 -10.861 1.00 0.00 C ATOM 566 O ASN A 37 3.282 -0.607 -10.792 1.00 0.00 O ATOM 567 CB ASN A 37 3.547 -2.650 -13.169 1.00 0.00 C ATOM 568 CG ASN A 37 4.127 -2.628 -14.570 1.00 0.00 C ATOM 569 OD1 ASN A 37 5.317 -2.873 -14.765 1.00 0.00 O ATOM 570 ND2 ASN A 37 3.286 -2.332 -15.554 1.00 0.00 N ATOM 0 H ASN A 37 5.298 -4.110 -12.229 1.00 0.00 H new ATOM 0 HA ASN A 37 5.087 -1.302 -12.515 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.235 -3.665 -12.924 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.654 -2.026 -13.139 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.619 -2.301 -16.518 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.307 -2.136 -15.346 1.00 0.00 H new ATOM 577 N ARG A 38 3.749 -2.600 -9.866 1.00 0.00 N ATOM 578 CA ARG A 38 3.068 -2.292 -8.616 1.00 0.00 C ATOM 579 C ARG A 38 4.067 -2.009 -7.493 1.00 0.00 C ATOM 580 O ARG A 38 3.673 -1.696 -6.370 1.00 0.00 O ATOM 581 CB ARG A 38 2.143 -3.445 -8.217 1.00 0.00 C ATOM 582 CG ARG A 38 1.307 -3.161 -6.976 1.00 0.00 C ATOM 583 CD ARG A 38 0.547 -1.849 -7.098 1.00 0.00 C ATOM 584 NE ARG A 38 1.418 -0.695 -6.881 1.00 0.00 N ATOM 585 CZ ARG A 38 1.378 0.421 -7.607 1.00 0.00 C ATOM 586 NH1 ARG A 38 0.480 0.569 -8.573 1.00 0.00 N ATOM 587 NH2 ARG A 38 2.238 1.399 -7.358 1.00 0.00 N ATOM 0 H ARG A 38 4.170 -3.528 -9.902 1.00 0.00 H new ATOM 0 HA ARG A 38 2.472 -1.393 -8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.476 -3.668 -9.050 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.744 -4.337 -8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.602 -3.977 -6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.955 -3.126 -6.101 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.094 -1.782 -8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.267 -1.832 -6.373 1.00 0.00 H new ATOM 0 HE ARG A 38 2.100 -0.748 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.189 -0.176 -8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.459 1.428 -9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.927 1.295 -6.613 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.211 2.255 -7.912 1.00 0.00 H new ATOM 601 N ASP A 39 5.361 -2.123 -7.798 1.00 0.00 N ATOM 602 CA ASP A 39 6.407 -1.880 -6.805 1.00 0.00 C ATOM 603 C ASP A 39 6.058 -2.544 -5.476 1.00 0.00 C ATOM 604 O ASP A 39 6.317 -1.994 -4.407 1.00 0.00 O ATOM 605 CB ASP A 39 6.609 -0.377 -6.601 1.00 0.00 C ATOM 606 CG ASP A 39 8.071 -0.005 -6.454 1.00 0.00 C ATOM 607 OD1 ASP A 39 8.870 -0.376 -7.339 1.00 0.00 O ATOM 608 OD2 ASP A 39 8.418 0.657 -5.453 1.00 0.00 O ATOM 0 H ASP A 39 5.708 -2.381 -8.722 1.00 0.00 H new ATOM 0 HA ASP A 39 7.335 -2.315 -7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.183 0.162 -7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.064 -0.057 -5.713 1.00 0.00 H new ATOM 613 N LEU A 40 5.456 -3.724 -5.559 1.00 0.00 N ATOM 614 CA LEU A 40 5.056 -4.466 -4.370 1.00 0.00 C ATOM 615 C LEU A 40 5.467 -5.931 -4.485 1.00 0.00 C ATOM 616 O LEU A 40 5.390 -6.523 -5.562 1.00 0.00 O ATOM 617 CB LEU A 40 3.542 -4.352 -4.174 1.00 0.00 C ATOM 618 CG LEU A 40 2.971 -5.145 -2.996 1.00 0.00 C ATOM 619 CD1 LEU A 40 3.017 -4.316 -1.720 1.00 0.00 C ATOM 620 CD2 LEU A 40 1.545 -5.593 -3.298 1.00 0.00 C ATOM 0 H LEU A 40 5.234 -4.189 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 40 5.561 -4.039 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.288 -3.301 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.048 -4.684 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 40 3.585 -6.033 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.607 -4.897 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.050 -4.048 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.427 -3.409 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.153 -6.156 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.918 -4.719 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.543 -6.226 -4.186 1.00 0.00 H new ATOM 632 N LEU A 41 5.905 -6.512 -3.372 1.00 0.00 N ATOM 633 CA LEU A 41 6.327 -7.911 -3.362 1.00 0.00 C ATOM 634 C LEU A 41 5.851 -8.636 -2.108 1.00 0.00 C ATOM 635 O LEU A 41 5.593 -8.016 -1.081 1.00 0.00 O ATOM 636 CB LEU A 41 7.857 -8.038 -3.525 1.00 0.00 C ATOM 637 CG LEU A 41 8.770 -7.489 -2.401 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.604 -6.326 -2.913 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.001 -7.062 -1.159 1.00 0.00 C ATOM 0 H LEU A 41 5.977 -6.041 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 41 5.856 -8.393 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.090 -9.095 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.134 -7.535 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 41 9.421 -8.313 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.240 -5.953 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.227 -6.662 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.945 -5.528 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.699 -6.687 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.293 -6.276 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.459 -7.917 -0.755 1.00 0.00 H new ATOM 651 N VAL A 42 5.729 -9.957 -2.202 1.00 0.00 N ATOM 652 CA VAL A 42 5.288 -10.759 -1.070 1.00 0.00 C ATOM 653 C VAL A 42 6.365 -11.755 -0.669 1.00 0.00 C ATOM 654 O VAL A 42 6.884 -12.496 -1.506 1.00 0.00 O ATOM 655 CB VAL A 42 3.972 -11.528 -1.368 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.732 -12.640 -0.347 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.786 -10.578 -1.388 1.00 0.00 C ATOM 0 H VAL A 42 5.929 -10.491 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 42 5.098 -10.064 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 42 4.077 -11.985 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.803 -13.158 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.560 -13.348 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.661 -12.208 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.875 -11.138 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.695 -10.089 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.936 -9.825 -2.162 1.00 0.00 H new ATOM 667 N SER A 43 6.671 -11.770 0.622 1.00 0.00 N ATOM 668 CA SER A 43 7.662 -12.678 1.178 1.00 0.00 C ATOM 669 C SER A 43 7.012 -13.533 2.257 1.00 0.00 C ATOM 670 O SER A 43 5.984 -13.154 2.815 1.00 0.00 O ATOM 671 CB SER A 43 8.843 -11.897 1.758 1.00 0.00 C ATOM 672 OG SER A 43 8.550 -11.419 3.060 1.00 0.00 O ATOM 0 H SER A 43 6.239 -11.154 1.311 1.00 0.00 H new ATOM 0 HA SER A 43 8.040 -13.322 0.385 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.724 -12.537 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.084 -11.058 1.105 1.00 0.00 H new ATOM 0 HG SER A 43 9.321 -10.925 3.408 1.00 0.00 H new ATOM 678 N THR A 44 7.591 -14.690 2.540 1.00 0.00 N ATOM 679 CA THR A 44 7.025 -15.581 3.545 1.00 0.00 C ATOM 680 C THR A 44 7.717 -15.420 4.891 1.00 0.00 C ATOM 681 O THR A 44 8.937 -15.548 5.000 1.00 0.00 O ATOM 682 CB THR A 44 7.102 -17.030 3.070 1.00 0.00 C ATOM 683 OG1 THR A 44 8.409 -17.550 3.235 1.00 0.00 O ATOM 684 CG2 THR A 44 6.720 -17.185 1.619 1.00 0.00 C ATOM 0 H THR A 44 8.442 -15.032 2.095 1.00 0.00 H new ATOM 0 HA THR A 44 5.978 -15.309 3.681 1.00 0.00 H new ATOM 0 HB THR A 44 6.390 -17.581 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.433 -18.479 2.925 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.792 -18.235 1.334 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.697 -16.839 1.473 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.395 -16.594 1.000 1.00 0.00 H new ATOM 692 N THR A 45 6.919 -15.133 5.915 1.00 0.00 N ATOM 693 CA THR A 45 7.432 -14.945 7.266 1.00 0.00 C ATOM 694 C THR A 45 6.936 -16.051 8.192 1.00 0.00 C ATOM 695 O THR A 45 5.976 -16.755 7.877 1.00 0.00 O ATOM 696 CB THR A 45 7.003 -13.578 7.807 1.00 0.00 C ATOM 697 OG1 THR A 45 7.127 -13.533 9.217 1.00 0.00 O ATOM 698 CG2 THR A 45 5.573 -13.214 7.459 1.00 0.00 C ATOM 0 H THR A 45 5.908 -15.025 5.833 1.00 0.00 H new ATOM 0 HA THR A 45 8.520 -14.989 7.228 1.00 0.00 H new ATOM 0 HB THR A 45 7.669 -12.860 7.329 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.850 -12.651 9.542 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.336 -12.234 7.873 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.458 -13.188 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.896 -13.958 7.878 1.00 0.00 H new ATOM 706 N THR A 46 7.595 -16.198 9.337 1.00 0.00 N ATOM 707 CA THR A 46 7.220 -17.218 10.309 1.00 0.00 C ATOM 708 C THR A 46 6.580 -16.586 11.541 1.00 0.00 C ATOM 709 O THR A 46 6.796 -17.037 12.666 1.00 0.00 O ATOM 710 CB THR A 46 8.445 -18.037 10.719 1.00 0.00 C ATOM 711 OG1 THR A 46 9.384 -18.099 9.660 1.00 0.00 O ATOM 712 CG2 THR A 46 8.108 -19.458 11.117 1.00 0.00 C ATOM 0 H THR A 46 8.391 -15.624 9.614 1.00 0.00 H new ATOM 0 HA THR A 46 6.490 -17.879 9.842 1.00 0.00 H new ATOM 0 HB THR A 46 8.860 -17.522 11.585 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.161 -18.625 9.942 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.021 -19.984 11.396 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.423 -19.446 11.964 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.637 -19.969 10.277 1.00 0.00 H new ATOM 720 N ALA A 47 5.790 -15.540 11.320 1.00 0.00 N ATOM 721 CA ALA A 47 5.118 -14.846 12.412 1.00 0.00 C ATOM 722 C ALA A 47 3.618 -14.747 12.157 1.00 0.00 C ATOM 723 O ALA A 47 3.143 -15.040 11.060 1.00 0.00 O ATOM 724 CB ALA A 47 5.716 -13.460 12.603 1.00 0.00 C ATOM 0 H ALA A 47 5.600 -15.155 10.395 1.00 0.00 H new ATOM 0 HA ALA A 47 5.268 -15.423 13.325 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.205 -12.953 13.421 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.777 -13.551 12.838 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.595 -12.882 11.687 1.00 0.00 H new ATOM 730 N HIS A 48 2.876 -14.331 13.179 1.00 0.00 N ATOM 731 CA HIS A 48 1.429 -14.192 13.066 1.00 0.00 C ATOM 732 C HIS A 48 1.059 -12.847 12.448 1.00 0.00 C ATOM 733 O HIS A 48 1.683 -11.827 12.739 1.00 0.00 O ATOM 734 CB HIS A 48 0.774 -14.332 14.442 1.00 0.00 C ATOM 735 CG HIS A 48 0.404 -15.741 14.786 1.00 0.00 C ATOM 736 ND1 HIS A 48 1.335 -16.743 14.961 1.00 0.00 N ATOM 737 CD2 HIS A 48 -0.806 -16.315 14.989 1.00 0.00 C ATOM 738 CE1 HIS A 48 0.714 -17.872 15.255 1.00 0.00 C ATOM 739 NE2 HIS A 48 -0.585 -17.639 15.278 1.00 0.00 N ATOM 0 H HIS A 48 3.253 -14.085 14.094 1.00 0.00 H new ATOM 0 HA HIS A 48 1.062 -14.985 12.414 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.456 -13.948 15.201 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.121 -13.711 14.474 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.766 -15.823 14.934 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.189 -18.823 15.444 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.308 -18.331 15.478 1.00 0.00 H new ATOM 748 N GLY A 49 0.040 -12.854 11.594 1.00 0.00 N ATOM 749 CA GLY A 49 -0.394 -11.629 10.948 1.00 0.00 C ATOM 750 C GLY A 49 -1.473 -10.908 11.733 1.00 0.00 C ATOM 751 O GLY A 49 -2.242 -11.533 12.462 1.00 0.00 O ATOM 0 H GLY A 49 -0.492 -13.686 11.338 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.462 -10.966 10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.768 -11.861 9.951 1.00 0.00 H new ATOM 755 N CYS A 50 -1.529 -9.588 11.582 1.00 0.00 N ATOM 756 CA CYS A 50 -2.521 -8.780 12.281 1.00 0.00 C ATOM 757 C CYS A 50 -3.402 -8.024 11.292 1.00 0.00 C ATOM 758 O CYS A 50 -4.627 -8.012 11.419 1.00 0.00 O ATOM 759 CB CYS A 50 -1.830 -7.793 13.227 1.00 0.00 C ATOM 760 SG CYS A 50 -2.537 -7.748 14.890 1.00 0.00 S ATOM 0 H CYS A 50 -0.899 -9.056 10.982 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.154 -9.449 12.864 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.774 -8.054 13.299 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.882 -6.794 12.794 1.00 0.00 H new ATOM 0 HG CYS A 50 -1.886 -6.888 15.615 1.00 0.00 H new ATOM 766 N ASP A 51 -2.771 -7.394 10.306 1.00 0.00 N ATOM 767 CA ASP A 51 -3.498 -6.636 9.294 1.00 0.00 C ATOM 768 C ASP A 51 -4.470 -7.533 8.536 1.00 0.00 C ATOM 769 O ASP A 51 -4.126 -8.650 8.149 1.00 0.00 O ATOM 770 CB ASP A 51 -2.522 -5.980 8.316 1.00 0.00 C ATOM 771 CG ASP A 51 -1.536 -5.062 9.010 1.00 0.00 C ATOM 772 OD1 ASP A 51 -1.348 -5.210 10.236 1.00 0.00 O ATOM 773 OD2 ASP A 51 -0.951 -4.194 8.328 1.00 0.00 O ATOM 0 H ASP A 51 -1.758 -7.393 10.186 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.069 -5.858 9.801 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.976 -6.755 7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.083 -5.412 7.574 1.00 0.00 H new ATOM 778 N THR A 52 -5.684 -7.037 8.326 1.00 0.00 N ATOM 779 CA THR A 52 -6.707 -7.792 7.613 1.00 0.00 C ATOM 780 C THR A 52 -7.112 -7.077 6.329 1.00 0.00 C ATOM 781 O THR A 52 -7.655 -5.973 6.367 1.00 0.00 O ATOM 782 CB THR A 52 -7.932 -7.998 8.504 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.561 -8.578 9.742 1.00 0.00 O ATOM 784 CG2 THR A 52 -8.986 -8.886 7.878 1.00 0.00 C ATOM 0 H THR A 52 -5.984 -6.114 8.640 1.00 0.00 H new ATOM 0 HA THR A 52 -6.290 -8.764 7.351 1.00 0.00 H new ATOM 0 HB THR A 52 -8.356 -7.004 8.645 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.359 -8.700 10.298 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.827 -8.990 8.563 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.331 -8.440 6.945 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.560 -9.868 7.674 1.00 0.00 H new ATOM 792 N ILE A 53 -6.845 -7.712 5.193 1.00 0.00 N ATOM 793 CA ILE A 53 -7.184 -7.132 3.898 1.00 0.00 C ATOM 794 C ILE A 53 -8.644 -7.392 3.556 1.00 0.00 C ATOM 795 O ILE A 53 -9.167 -8.478 3.805 1.00 0.00 O ATOM 796 CB ILE A 53 -6.303 -7.682 2.756 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.927 -8.126 3.287 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.169 -6.636 1.655 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.746 -7.618 2.485 1.00 0.00 C ATOM 0 H ILE A 53 -6.396 -8.626 5.142 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.003 -6.061 3.987 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.783 -8.564 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.823 -7.785 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.894 -9.215 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.546 -7.030 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.156 -6.393 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.709 -5.736 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.820 -7.980 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.820 -7.980 1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.747 -6.528 2.486 1.00 0.00 H new ATOM 811 N ALA A 54 -9.299 -6.386 2.993 1.00 0.00 N ATOM 812 CA ALA A 54 -10.702 -6.502 2.627 1.00 0.00 C ATOM 813 C ALA A 54 -10.876 -6.891 1.163 1.00 0.00 C ATOM 814 O ALA A 54 -10.301 -6.268 0.271 1.00 0.00 O ATOM 815 CB ALA A 54 -11.423 -5.192 2.905 1.00 0.00 C ATOM 0 H ALA A 54 -8.880 -5.481 2.780 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.137 -7.295 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.473 -5.289 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.348 -4.954 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.965 -4.394 2.321 1.00 0.00 H new ATOM 821 N ARG A 55 -11.702 -7.906 0.923 1.00 0.00 N ATOM 822 CA ARG A 55 -11.987 -8.358 -0.435 1.00 0.00 C ATOM 823 C ARG A 55 -13.240 -7.655 -0.943 1.00 0.00 C ATOM 824 O ARG A 55 -14.118 -8.267 -1.552 1.00 0.00 O ATOM 825 CB ARG A 55 -12.180 -9.875 -0.470 1.00 0.00 C ATOM 826 CG ARG A 55 -12.137 -10.460 -1.873 1.00 0.00 C ATOM 827 CD ARG A 55 -13.305 -11.401 -2.124 1.00 0.00 C ATOM 828 NE ARG A 55 -13.321 -11.901 -3.496 1.00 0.00 N ATOM 829 CZ ARG A 55 -14.128 -12.871 -3.923 1.00 0.00 C ATOM 830 NH1 ARG A 55 -14.985 -13.446 -3.088 1.00 0.00 N ATOM 831 NH2 ARG A 55 -14.078 -13.266 -5.188 1.00 0.00 N ATOM 0 H ARG A 55 -12.186 -8.431 1.652 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.143 -8.111 -1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.405 -10.346 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.137 -10.122 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.156 -9.653 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.199 -10.997 -2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.248 -12.242 -1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.240 -10.881 -1.917 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.676 -11.483 -4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.028 -13.145 -2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.601 -14.188 -3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.422 -12.827 -5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.696 -14.009 -5.515 1.00 0.00 H new ATOM 845 N CYS A 56 -13.312 -6.361 -0.655 1.00 0.00 N ATOM 846 CA CYS A 56 -14.447 -5.530 -1.035 1.00 0.00 C ATOM 847 C CYS A 56 -14.148 -4.715 -2.287 1.00 0.00 C ATOM 848 O CYS A 56 -12.998 -4.600 -2.711 1.00 0.00 O ATOM 849 CB CYS A 56 -14.782 -4.574 0.110 1.00 0.00 C ATOM 850 SG CYS A 56 -13.332 -3.654 0.724 1.00 0.00 S ATOM 0 H CYS A 56 -12.583 -5.857 -0.150 1.00 0.00 H new ATOM 0 HA CYS A 56 -15.290 -6.188 -1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.538 -3.865 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.220 -5.141 0.932 1.00 0.00 H new ATOM 855 N GLN A 57 -15.196 -4.134 -2.857 1.00 0.00 N ATOM 856 CA GLN A 57 -15.062 -3.304 -4.045 1.00 0.00 C ATOM 857 C GLN A 57 -15.503 -1.874 -3.738 1.00 0.00 C ATOM 858 O GLN A 57 -15.924 -1.137 -4.629 1.00 0.00 O ATOM 859 CB GLN A 57 -15.895 -3.878 -5.194 1.00 0.00 C ATOM 860 CG GLN A 57 -15.139 -3.964 -6.510 1.00 0.00 C ATOM 861 CD GLN A 57 -15.428 -5.246 -7.267 1.00 0.00 C ATOM 862 OE1 GLN A 57 -16.157 -5.244 -8.258 1.00 0.00 O ATOM 863 NE2 GLN A 57 -14.856 -6.350 -6.801 1.00 0.00 N ATOM 0 H GLN A 57 -16.152 -4.224 -2.513 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.015 -3.294 -4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.242 -4.874 -4.918 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -16.781 -3.259 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.405 -3.111 -7.134 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.069 -3.895 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.258 -6.305 -5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.014 -7.243 -7.268 1.00 0.00 H new ATOM 872 N CYS A 58 -15.408 -1.495 -2.463 1.00 0.00 N ATOM 873 CA CYS A 58 -15.800 -0.161 -2.025 1.00 0.00 C ATOM 874 C CYS A 58 -14.876 0.902 -2.611 1.00 0.00 C ATOM 875 O CYS A 58 -13.679 0.673 -2.784 1.00 0.00 O ATOM 876 CB CYS A 58 -15.796 -0.083 -0.492 1.00 0.00 C ATOM 877 SG CYS A 58 -14.135 -0.008 0.261 1.00 0.00 S ATOM 0 H CYS A 58 -15.062 -2.097 -1.716 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.810 0.032 -2.387 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -16.360 0.798 -0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -16.321 -0.952 -0.096 1.00 0.00 H new ATOM 882 N THR A 59 -15.441 2.066 -2.913 1.00 0.00 N ATOM 883 CA THR A 59 -14.669 3.167 -3.477 1.00 0.00 C ATOM 884 C THR A 59 -14.369 4.230 -2.421 1.00 0.00 C ATOM 885 O THR A 59 -13.943 5.338 -2.748 1.00 0.00 O ATOM 886 CB THR A 59 -15.424 3.794 -4.650 1.00 0.00 C ATOM 887 OG1 THR A 59 -16.012 2.792 -5.461 1.00 0.00 O ATOM 888 CG2 THR A 59 -14.547 4.648 -5.540 1.00 0.00 C ATOM 0 H THR A 59 -16.431 2.271 -2.777 1.00 0.00 H new ATOM 0 HA THR A 59 -13.721 2.765 -3.834 1.00 0.00 H new ATOM 0 HB THR A 59 -16.183 4.432 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 59 -16.492 3.213 -6.205 1.00 0.00 H new ATOM 0 HG21 THR A 59 -15.146 5.062 -6.351 1.00 0.00 H new ATOM 0 HG22 THR A 59 -14.117 5.461 -4.955 1.00 0.00 H new ATOM 0 HG23 THR A 59 -13.746 4.037 -5.955 1.00 0.00 H new ATOM 896 N THR A 60 -14.592 3.889 -1.153 1.00 0.00 N ATOM 897 CA THR A 60 -14.343 4.817 -0.057 1.00 0.00 C ATOM 898 C THR A 60 -13.564 4.140 1.066 1.00 0.00 C ATOM 899 O THR A 60 -13.975 3.100 1.582 1.00 0.00 O ATOM 900 CB THR A 60 -15.665 5.365 0.485 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.432 4.331 1.076 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.520 6.022 -0.577 1.00 0.00 C ATOM 0 H THR A 60 -14.944 2.977 -0.862 1.00 0.00 H new ATOM 0 HA THR A 60 -13.745 5.642 -0.444 1.00 0.00 H new ATOM 0 HB THR A 60 -15.386 6.119 1.221 1.00 0.00 H new ATOM 0 HG1 THR A 60 -15.843 3.587 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.442 6.389 -0.126 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.975 6.857 -1.018 1.00 0.00 H new ATOM 0 HG23 THR A 60 -16.760 5.295 -1.353 1.00 0.00 H new ATOM 910 N GLY A 61 -12.437 4.737 1.440 1.00 0.00 N ATOM 911 CA GLY A 61 -11.617 4.181 2.500 1.00 0.00 C ATOM 912 C GLY A 61 -10.839 5.246 3.247 1.00 0.00 C ATOM 913 O GLY A 61 -10.731 6.382 2.785 1.00 0.00 O ATOM 0 H GLY A 61 -12.077 5.597 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.252 3.640 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.921 3.457 2.076 1.00 0.00 H new ATOM 917 N VAL A 62 -10.297 4.882 4.404 1.00 0.00 N ATOM 918 CA VAL A 62 -9.529 5.821 5.212 1.00 0.00 C ATOM 919 C VAL A 62 -8.031 5.549 5.106 1.00 0.00 C ATOM 920 O VAL A 62 -7.588 4.401 5.186 1.00 0.00 O ATOM 921 CB VAL A 62 -9.951 5.768 6.694 1.00 0.00 C ATOM 922 CG1 VAL A 62 -9.706 4.383 7.275 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.221 6.833 7.499 1.00 0.00 C ATOM 0 H VAL A 62 -10.375 3.946 4.802 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.739 6.816 4.820 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.020 5.973 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.011 4.368 8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.286 3.647 6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.646 4.140 7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.533 6.778 8.542 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.146 6.666 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.460 7.819 7.100 1.00 0.00 H new ATOM 933 N TYR A 63 -7.257 6.615 4.929 1.00 0.00 N ATOM 934 CA TYR A 63 -5.810 6.498 4.815 1.00 0.00 C ATOM 935 C TYR A 63 -5.119 7.096 6.037 1.00 0.00 C ATOM 936 O TYR A 63 -5.711 7.890 6.769 1.00 0.00 O ATOM 937 CB TYR A 63 -5.319 7.180 3.531 1.00 0.00 C ATOM 938 CG TYR A 63 -5.359 8.696 3.570 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.469 9.413 4.361 1.00 0.00 C ATOM 940 CD2 TYR A 63 -6.280 9.411 2.809 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.495 10.794 4.396 1.00 0.00 C ATOM 942 CE2 TYR A 63 -6.310 10.792 2.840 1.00 0.00 C ATOM 943 CZ TYR A 63 -5.416 11.478 3.634 1.00 0.00 C ATOM 944 OH TYR A 63 -5.445 12.853 3.666 1.00 0.00 O ATOM 0 H TYR A 63 -7.609 7.570 4.862 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.555 5.439 4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.296 6.861 3.334 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.927 6.834 2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.744 8.881 4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.982 8.878 2.185 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.797 11.334 5.018 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.031 11.332 2.244 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.152 13.179 3.071 1.00 0.00 H new ATOM 954 N PHE A 64 -3.867 6.709 6.255 1.00 0.00 N ATOM 955 CA PHE A 64 -3.100 7.208 7.391 1.00 0.00 C ATOM 956 C PHE A 64 -2.436 8.541 7.060 1.00 0.00 C ATOM 957 O PHE A 64 -1.766 8.674 6.037 1.00 0.00 O ATOM 958 CB PHE A 64 -2.038 6.187 7.805 1.00 0.00 C ATOM 959 CG PHE A 64 -1.457 6.445 9.166 1.00 0.00 C ATOM 960 CD1 PHE A 64 -0.676 7.565 9.401 1.00 0.00 C ATOM 961 CD2 PHE A 64 -1.693 5.566 10.212 1.00 0.00 C ATOM 962 CE1 PHE A 64 -0.142 7.805 10.652 1.00 0.00 C ATOM 963 CE2 PHE A 64 -1.161 5.801 11.465 1.00 0.00 C ATOM 964 CZ PHE A 64 -0.384 6.922 11.686 1.00 0.00 C ATOM 0 H PHE A 64 -3.362 6.052 5.661 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.790 7.363 8.220 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.478 5.190 7.790 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.234 6.192 7.069 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.482 8.259 8.596 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.299 4.688 10.045 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.464 8.683 10.821 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.352 5.109 12.272 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.033 7.107 12.665 1.00 0.00 H new ATOM 974 N CYS A 65 -2.627 9.524 7.934 1.00 0.00 N ATOM 975 CA CYS A 65 -2.046 10.847 7.736 1.00 0.00 C ATOM 976 C CYS A 65 -0.839 11.052 8.646 1.00 0.00 C ATOM 977 O CYS A 65 -0.835 10.615 9.797 1.00 0.00 O ATOM 978 CB CYS A 65 -3.091 11.931 8.003 1.00 0.00 C ATOM 979 SG CYS A 65 -2.909 13.402 6.968 1.00 0.00 S ATOM 0 H CYS A 65 -3.180 9.429 8.786 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.714 10.920 6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.084 11.510 7.846 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.032 12.227 9.050 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.712 14.332 7.391 1.00 0.00 H new ATOM 985 N ALA A 66 0.184 11.720 8.122 1.00 0.00 N ATOM 986 CA ALA A 66 1.397 11.983 8.887 1.00 0.00 C ATOM 987 C ALA A 66 1.314 13.327 9.602 1.00 0.00 C ATOM 988 O ALA A 66 1.660 13.438 10.779 1.00 0.00 O ATOM 989 CB ALA A 66 2.615 11.942 7.977 1.00 0.00 C ATOM 0 H ALA A 66 0.197 12.089 7.171 1.00 0.00 H new ATOM 0 HA ALA A 66 1.496 11.204 9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.513 12.140 8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.692 10.957 7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.514 12.699 7.200 1.00 0.00 H new ATOM 995 N SER A 67 0.855 14.347 8.884 1.00 0.00 N ATOM 996 CA SER A 67 0.727 15.685 9.450 1.00 0.00 C ATOM 997 C SER A 67 -0.409 15.740 10.467 1.00 0.00 C ATOM 998 O SER A 67 -0.361 16.510 11.425 1.00 0.00 O ATOM 999 CB SER A 67 0.482 16.709 8.340 1.00 0.00 C ATOM 1000 OG SER A 67 1.637 16.876 7.536 1.00 0.00 O ATOM 0 H SER A 67 0.565 14.272 7.909 1.00 0.00 H new ATOM 0 HA SER A 67 1.659 15.927 9.960 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.353 16.384 7.719 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.200 17.666 8.779 1.00 0.00 H new ATOM 0 HG SER A 67 1.454 17.534 6.833 1.00 0.00 H new ATOM 1006 N LYS A 68 -1.431 14.918 10.250 1.00 0.00 N ATOM 1007 CA LYS A 68 -2.580 14.873 11.147 1.00 0.00 C ATOM 1008 C LYS A 68 -2.414 13.779 12.198 1.00 0.00 C ATOM 1009 O LYS A 68 -2.989 13.858 13.283 1.00 0.00 O ATOM 1010 CB LYS A 68 -3.865 14.642 10.350 1.00 0.00 C ATOM 1011 CG LYS A 68 -4.571 15.928 9.947 1.00 0.00 C ATOM 1012 CD LYS A 68 -5.018 16.725 11.163 1.00 0.00 C ATOM 1013 CE LYS A 68 -6.521 16.634 11.369 1.00 0.00 C ATOM 1014 NZ LYS A 68 -7.082 17.894 11.930 1.00 0.00 N ATOM 0 H LYS A 68 -1.487 14.274 9.461 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.645 15.833 11.660 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.628 14.071 9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.547 14.034 10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.902 16.536 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.437 15.690 9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.505 16.354 12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.729 17.769 11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.005 16.413 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.746 15.806 12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.109 17.791 12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.639 18.092 12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.890 18.680 11.277 1.00 0.00 H new ATOM 1028 N SER A 69 -1.630 12.756 11.869 1.00 0.00 N ATOM 1029 CA SER A 69 -1.398 11.646 12.788 1.00 0.00 C ATOM 1030 C SER A 69 -2.711 10.952 13.140 1.00 0.00 C ATOM 1031 O SER A 69 -2.828 10.314 14.186 1.00 0.00 O ATOM 1032 CB SER A 69 -0.713 12.145 14.061 1.00 0.00 C ATOM 1033 OG SER A 69 -0.258 11.061 14.854 1.00 0.00 O ATOM 0 H SER A 69 -1.146 12.673 10.975 1.00 0.00 H new ATOM 0 HA SER A 69 -0.747 10.925 12.294 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.129 12.785 13.798 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.409 12.754 14.637 1.00 0.00 H new ATOM 0 HG SER A 69 -0.993 10.428 14.996 1.00 0.00 H new ATOM 1039 N LYS A 70 -3.698 11.087 12.259 1.00 0.00 N ATOM 1040 CA LYS A 70 -5.008 10.483 12.467 1.00 0.00 C ATOM 1041 C LYS A 70 -5.497 9.804 11.194 1.00 0.00 C ATOM 1042 O LYS A 70 -4.909 9.967 10.125 1.00 0.00 O ATOM 1043 CB LYS A 70 -6.029 11.534 12.906 1.00 0.00 C ATOM 1044 CG LYS A 70 -5.540 12.443 14.021 1.00 0.00 C ATOM 1045 CD LYS A 70 -5.943 13.885 13.771 1.00 0.00 C ATOM 1046 CE LYS A 70 -7.406 14.121 14.110 1.00 0.00 C ATOM 1047 NZ LYS A 70 -7.582 14.609 15.506 1.00 0.00 N ATOM 0 H LYS A 70 -3.613 11.613 11.389 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.906 9.736 13.254 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.299 12.145 12.045 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.937 11.028 13.235 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.951 12.108 14.973 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.455 12.374 14.100 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.318 14.548 14.370 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.765 14.138 12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.827 14.848 13.416 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.963 13.194 13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.593 14.757 15.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.204 13.904 16.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.072 15.507 15.627 1.00 0.00 H new ATOM 1061 N HIS A 71 -6.582 9.049 11.317 1.00 0.00 N ATOM 1062 CA HIS A 71 -7.158 8.353 10.174 1.00 0.00 C ATOM 1063 C HIS A 71 -8.081 9.292 9.405 1.00 0.00 C ATOM 1064 O HIS A 71 -8.994 9.888 9.977 1.00 0.00 O ATOM 1065 CB HIS A 71 -7.928 7.115 10.639 1.00 0.00 C ATOM 1066 CG HIS A 71 -7.266 5.825 10.266 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -7.900 4.603 10.342 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -6.016 5.570 9.810 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -7.069 3.652 9.950 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -5.921 4.213 9.621 1.00 0.00 N ATOM 0 H HIS A 71 -7.080 8.903 12.195 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.352 8.032 9.514 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.044 7.155 11.722 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.930 7.138 10.210 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.239 6.298 9.629 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.292 2.596 9.907 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -5.096 3.719 9.281 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.824 9.436 8.109 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.619 10.323 7.269 1.00 0.00 C ATOM 1081 C TYR A 72 -9.457 9.536 6.262 1.00 0.00 C ATOM 1082 O TYR A 72 -8.911 8.905 5.357 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.696 11.286 6.515 1.00 0.00 C ATOM 1084 CG TYR A 72 -7.750 12.713 7.015 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -7.415 13.023 8.327 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -8.130 13.750 6.170 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -7.458 14.326 8.785 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -8.175 15.055 6.621 1.00 0.00 C ATOM 1089 CZ TYR A 72 -7.838 15.338 7.929 1.00 0.00 C ATOM 1090 OH TYR A 72 -7.882 16.637 8.381 1.00 0.00 O ATOM 0 H TYR A 72 -7.073 8.951 7.619 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.295 10.881 7.917 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.671 10.924 6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.961 11.273 5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.116 12.233 9.000 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.394 13.532 5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.195 14.551 9.808 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.472 15.850 5.953 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.168 17.227 7.653 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.796 9.580 6.383 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.685 8.887 5.455 1.00 0.00 C ATOM 1102 C PRO A 73 -11.747 9.627 4.126 1.00 0.00 C ATOM 1103 O PRO A 73 -12.108 10.803 4.081 1.00 0.00 O ATOM 1104 CB PRO A 73 -13.054 8.911 6.154 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.820 9.517 7.504 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.552 10.314 7.402 1.00 0.00 C ATOM 0 HA PRO A 73 -11.351 7.874 5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.773 9.498 5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.463 7.905 6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.656 10.154 7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.731 8.743 8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.743 11.344 7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.020 10.353 8.352 1.00 0.00 H new ATOM 1114 N VAL A 74 -11.368 8.952 3.048 1.00 0.00 N ATOM 1115 CA VAL A 74 -11.361 9.581 1.735 1.00 0.00 C ATOM 1116 C VAL A 74 -11.798 8.622 0.634 1.00 0.00 C ATOM 1117 O VAL A 74 -11.490 7.431 0.669 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.954 10.116 1.398 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -9.924 10.750 0.016 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -9.491 11.108 2.452 1.00 0.00 C ATOM 0 H VAL A 74 -11.064 7.978 3.057 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.075 10.403 1.780 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.266 9.270 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.920 11.118 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.202 10.007 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.629 11.580 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.497 11.473 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.186 11.946 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.458 10.617 3.424 1.00 0.00 H new ATOM 1130 N SER A 75 -12.496 9.165 -0.358 1.00 0.00 N ATOM 1131 CA SER A 75 -12.954 8.379 -1.494 1.00 0.00 C ATOM 1132 C SER A 75 -11.922 8.456 -2.611 1.00 0.00 C ATOM 1133 O SER A 75 -11.390 9.529 -2.898 1.00 0.00 O ATOM 1134 CB SER A 75 -14.309 8.889 -1.989 1.00 0.00 C ATOM 1135 OG SER A 75 -14.988 9.604 -0.972 1.00 0.00 O ATOM 0 H SER A 75 -12.757 10.150 -0.396 1.00 0.00 H new ATOM 0 HA SER A 75 -13.074 7.341 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.164 9.534 -2.856 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.920 8.048 -2.316 1.00 0.00 H new ATOM 0 HG SER A 75 -15.850 9.921 -1.314 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.621 7.321 -3.226 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.627 7.287 -4.292 1.00 0.00 C ATOM 1143 C PHE A 76 -11.032 6.340 -5.413 1.00 0.00 C ATOM 1144 O PHE A 76 -11.978 5.564 -5.282 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.260 6.870 -3.735 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.340 6.032 -2.489 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.220 4.965 -2.408 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.539 6.317 -1.397 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -10.299 4.200 -1.260 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.610 5.559 -0.249 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.493 4.497 -0.178 1.00 0.00 C ATOM 0 H PHE A 76 -12.045 6.419 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.562 8.293 -4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.721 6.313 -4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.677 7.766 -3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.851 4.728 -3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.848 7.146 -1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.990 3.371 -1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.977 5.794 0.594 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.552 3.901 0.721 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.293 6.411 -6.514 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.546 5.563 -7.670 1.00 0.00 C ATOM 1163 C GLU A 77 -9.406 4.568 -7.848 1.00 0.00 C ATOM 1164 O GLU A 77 -8.302 4.788 -7.349 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.705 6.413 -8.932 1.00 0.00 C ATOM 1166 CG GLU A 77 -12.102 6.984 -9.108 1.00 0.00 C ATOM 1167 CD GLU A 77 -13.114 5.931 -9.516 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -13.260 5.688 -10.733 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -13.761 5.350 -8.620 1.00 0.00 O ATOM 0 H GLU A 77 -9.508 7.053 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.472 5.014 -7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.988 7.233 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.457 5.806 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.421 7.448 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.077 7.770 -9.862 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.680 3.472 -8.547 1.00 0.00 N ATOM 1177 CA GLY A 78 -8.662 2.461 -8.762 1.00 0.00 C ATOM 1178 C GLY A 78 -8.111 2.462 -10.177 1.00 0.00 C ATOM 1179 O GLY A 78 -8.342 1.518 -10.932 1.00 0.00 O ATOM 0 H GLY A 78 -10.586 3.266 -8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.844 2.622 -8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.081 1.479 -8.542 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.368 3.513 -10.570 1.00 0.00 N ATOM 1184 CA PRO A 79 -6.788 3.606 -11.912 1.00 0.00 C ATOM 1185 C PRO A 79 -5.701 2.563 -12.144 1.00 0.00 C ATOM 1186 O PRO A 79 -4.839 2.340 -11.287 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.185 5.014 -11.951 1.00 0.00 C ATOM 1188 CG PRO A 79 -5.957 5.374 -10.525 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.041 4.687 -9.744 1.00 0.00 C ATOM 0 HA PRO A 79 -7.534 3.426 -12.687 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.253 5.029 -12.516 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.861 5.720 -12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.971 5.048 -10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.000 6.454 -10.384 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.698 4.396 -8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -7.907 5.334 -9.605 1.00 0.00 H new ATOM 1197 N GLY A 80 -5.748 1.925 -13.309 1.00 0.00 N ATOM 1198 CA GLY A 80 -4.765 0.914 -13.640 1.00 0.00 C ATOM 1199 C GLY A 80 -3.355 1.465 -13.638 1.00 0.00 C ATOM 1200 O GLY A 80 -2.684 1.464 -12.607 1.00 0.00 O ATOM 0 H GLY A 80 -6.451 2.091 -14.029 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.834 0.095 -12.925 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.990 0.499 -14.623 1.00 0.00 H new ATOM 1204 N LEU A 81 -2.904 1.939 -14.792 1.00 0.00 N ATOM 1205 CA LEU A 81 -1.563 2.494 -14.910 1.00 0.00 C ATOM 1206 C LEU A 81 -1.544 3.983 -14.584 1.00 0.00 C ATOM 1207 O LEU A 81 -2.190 4.785 -15.258 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.015 2.275 -16.317 1.00 0.00 C ATOM 1209 CG LEU A 81 0.466 1.887 -16.382 1.00 0.00 C ATOM 1210 CD1 LEU A 81 1.302 2.700 -15.403 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.639 0.399 -16.127 1.00 0.00 C ATOM 0 H LEU A 81 -3.445 1.950 -15.657 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.932 1.974 -14.189 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.601 1.494 -16.802 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.162 3.188 -16.894 1.00 0.00 H new ATOM 0 HG LEU A 81 0.823 2.113 -17.387 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.346 2.397 -15.478 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.214 3.760 -15.642 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.945 2.526 -14.388 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.697 0.142 -16.177 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.252 0.152 -15.138 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.092 -0.166 -16.882 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.778 4.348 -13.562 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.649 5.742 -13.167 1.00 0.00 C ATOM 1225 C VAL A 82 0.820 6.132 -13.100 1.00 0.00 C ATOM 1226 O VAL A 82 1.602 5.517 -12.374 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.317 6.021 -11.802 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.268 7.507 -11.479 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -2.752 5.518 -11.804 1.00 0.00 C ATOM 0 H VAL A 82 -0.238 3.696 -12.993 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.160 6.341 -13.921 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.766 5.486 -11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.743 7.685 -10.514 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.230 7.837 -11.439 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.796 8.065 -12.252 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.210 5.721 -10.836 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.315 6.027 -12.586 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.761 4.444 -11.991 1.00 0.00 H new ATOM 1239 N GLU A 83 1.194 7.150 -13.864 1.00 0.00 N ATOM 1240 CA GLU A 83 2.575 7.606 -13.889 1.00 0.00 C ATOM 1241 C GLU A 83 2.921 8.332 -12.598 1.00 0.00 C ATOM 1242 O GLU A 83 2.472 9.454 -12.363 1.00 0.00 O ATOM 1243 CB GLU A 83 2.812 8.528 -15.088 1.00 0.00 C ATOM 1244 CG GLU A 83 1.736 9.586 -15.266 1.00 0.00 C ATOM 1245 CD GLU A 83 2.164 10.703 -16.198 1.00 0.00 C ATOM 1246 OE1 GLU A 83 3.385 10.875 -16.396 1.00 0.00 O ATOM 1247 OE2 GLU A 83 1.278 11.405 -16.730 1.00 0.00 O ATOM 0 H GLU A 83 0.563 7.673 -14.471 1.00 0.00 H new ATOM 0 HA GLU A 83 3.221 6.733 -13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.778 9.020 -14.972 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.869 7.924 -15.994 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.833 9.118 -15.657 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.481 10.007 -14.293 1.00 0.00 H new ATOM 1254 N VAL A 84 3.721 7.682 -11.761 1.00 0.00 N ATOM 1255 CA VAL A 84 4.126 8.264 -10.493 1.00 0.00 C ATOM 1256 C VAL A 84 5.180 9.343 -10.707 1.00 0.00 C ATOM 1257 O VAL A 84 6.224 9.091 -11.308 1.00 0.00 O ATOM 1258 CB VAL A 84 4.669 7.194 -9.525 1.00 0.00 C ATOM 1259 CG1 VAL A 84 3.644 6.088 -9.324 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.988 6.624 -10.026 1.00 0.00 C ATOM 0 H VAL A 84 4.100 6.752 -11.940 1.00 0.00 H new ATOM 0 HA VAL A 84 3.239 8.712 -10.046 1.00 0.00 H new ATOM 0 HB VAL A 84 4.855 7.670 -8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.044 5.341 -8.638 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.730 6.511 -8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.423 5.618 -10.282 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.349 5.872 -9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.839 6.166 -11.004 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.723 7.425 -10.109 1.00 0.00 H new ATOM 1270 N GLN A 85 4.889 10.544 -10.215 1.00 0.00 N ATOM 1271 CA GLN A 85 5.796 11.679 -10.347 1.00 0.00 C ATOM 1272 C GLN A 85 7.042 11.485 -9.493 1.00 0.00 C ATOM 1273 O GLN A 85 6.997 10.823 -8.456 1.00 0.00 O ATOM 1274 CB GLN A 85 5.086 12.975 -9.948 1.00 0.00 C ATOM 1275 CG GLN A 85 4.539 12.957 -8.530 1.00 0.00 C ATOM 1276 CD GLN A 85 4.346 14.350 -7.963 1.00 0.00 C ATOM 1277 OE1 GLN A 85 5.284 14.959 -7.450 1.00 0.00 O ATOM 1278 NE2 GLN A 85 3.123 14.861 -8.054 1.00 0.00 N ATOM 0 H GLN A 85 4.024 10.757 -9.717 1.00 0.00 H new ATOM 0 HA GLN A 85 6.102 11.746 -11.391 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.783 13.807 -10.049 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.266 13.159 -10.642 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.586 12.429 -8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.221 12.399 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.375 14.320 -8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.932 15.795 -7.690 1.00 0.00 H new ATOM 1287 N GLU A 86 8.157 12.057 -9.937 1.00 0.00 N ATOM 1288 CA GLU A 86 9.412 11.930 -9.210 1.00 0.00 C ATOM 1289 C GLU A 86 9.336 12.674 -7.882 1.00 0.00 C ATOM 1290 O GLU A 86 9.430 13.901 -7.836 1.00 0.00 O ATOM 1291 CB GLU A 86 10.571 12.476 -10.048 1.00 0.00 C ATOM 1292 CG GLU A 86 10.465 13.964 -10.341 1.00 0.00 C ATOM 1293 CD GLU A 86 10.682 14.287 -11.806 1.00 0.00 C ATOM 1294 OE1 GLU A 86 9.698 14.253 -12.574 1.00 0.00 O ATOM 1295 OE2 GLU A 86 11.837 14.573 -12.186 1.00 0.00 O ATOM 0 H GLU A 86 8.216 12.610 -10.792 1.00 0.00 H new ATOM 0 HA GLU A 86 9.588 10.873 -9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.508 12.283 -9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.614 11.931 -10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.481 14.321 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.200 14.502 -9.742 1.00 0.00 H new ATOM 1302 N SER A 87 9.155 11.919 -6.802 1.00 0.00 N ATOM 1303 CA SER A 87 9.054 12.508 -5.470 1.00 0.00 C ATOM 1304 C SER A 87 9.710 11.622 -4.415 1.00 0.00 C ATOM 1305 O SER A 87 9.924 10.431 -4.637 1.00 0.00 O ATOM 1306 CB SER A 87 7.587 12.747 -5.107 1.00 0.00 C ATOM 1307 OG SER A 87 7.128 13.984 -5.625 1.00 0.00 O ATOM 0 H SER A 87 9.076 10.902 -6.822 1.00 0.00 H new ATOM 0 HA SER A 87 9.583 13.461 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.975 11.935 -5.500 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.471 12.738 -4.023 1.00 0.00 H new ATOM 0 HG SER A 87 6.414 13.821 -6.277 1.00 0.00 H new ATOM 1313 N GLU A 88 10.010 12.217 -3.263 1.00 0.00 N ATOM 1314 CA GLU A 88 10.629 11.496 -2.154 1.00 0.00 C ATOM 1315 C GLU A 88 11.952 10.854 -2.571 1.00 0.00 C ATOM 1316 O GLU A 88 13.025 11.382 -2.278 1.00 0.00 O ATOM 1317 CB GLU A 88 9.668 10.435 -1.607 1.00 0.00 C ATOM 1318 CG GLU A 88 9.677 10.333 -0.091 1.00 0.00 C ATOM 1319 CD GLU A 88 8.293 10.113 0.487 1.00 0.00 C ATOM 1320 OE1 GLU A 88 7.727 9.020 0.275 1.00 0.00 O ATOM 1321 OE2 GLU A 88 7.775 11.034 1.154 1.00 0.00 O ATOM 0 H GLU A 88 9.833 13.203 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 88 10.845 12.218 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.657 10.665 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.931 9.465 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.327 9.512 0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.101 11.245 0.328 1.00 0.00 H new ATOM 1328 N TYR A 89 11.873 9.716 -3.253 1.00 0.00 N ATOM 1329 CA TYR A 89 13.067 9.012 -3.703 1.00 0.00 C ATOM 1330 C TYR A 89 12.739 8.059 -4.848 1.00 0.00 C ATOM 1331 O TYR A 89 13.440 7.070 -5.063 1.00 0.00 O ATOM 1332 CB TYR A 89 13.689 8.233 -2.543 1.00 0.00 C ATOM 1333 CG TYR A 89 12.680 7.460 -1.723 1.00 0.00 C ATOM 1334 CD1 TYR A 89 11.902 6.463 -2.301 1.00 0.00 C ATOM 1335 CD2 TYR A 89 12.504 7.728 -0.371 1.00 0.00 C ATOM 1336 CE1 TYR A 89 10.979 5.757 -1.554 1.00 0.00 C ATOM 1337 CE2 TYR A 89 11.583 7.025 0.382 1.00 0.00 C ATOM 1338 CZ TYR A 89 10.823 6.041 -0.214 1.00 0.00 C ATOM 1339 OH TYR A 89 9.904 5.340 0.532 1.00 0.00 O ATOM 0 H TYR A 89 10.995 9.262 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 89 13.781 9.753 -4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 89 14.431 7.540 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.218 8.928 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 89 12.021 6.237 -3.350 1.00 0.00 H new ATOM 0 HD2 TYR A 89 13.097 8.499 0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.382 4.986 -2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.459 7.245 1.432 1.00 0.00 H new ATOM 0 HH TYR A 89 9.920 5.662 1.457 1.00 0.00 H new ATOM 1349 N TYR A 90 11.672 8.361 -5.582 1.00 0.00 N ATOM 1350 CA TYR A 90 11.260 7.527 -6.703 1.00 0.00 C ATOM 1351 C TYR A 90 11.157 8.352 -7.985 1.00 0.00 C ATOM 1352 O TYR A 90 10.466 9.372 -8.014 1.00 0.00 O ATOM 1353 CB TYR A 90 9.916 6.861 -6.406 1.00 0.00 C ATOM 1354 CG TYR A 90 9.752 5.511 -7.068 1.00 0.00 C ATOM 1355 CD1 TYR A 90 10.572 4.444 -6.725 1.00 0.00 C ATOM 1356 CD2 TYR A 90 8.777 5.305 -8.036 1.00 0.00 C ATOM 1357 CE1 TYR A 90 10.425 3.209 -7.328 1.00 0.00 C ATOM 1358 CE2 TYR A 90 8.624 4.074 -8.643 1.00 0.00 C ATOM 1359 CZ TYR A 90 9.450 3.029 -8.286 1.00 0.00 C ATOM 1360 OH TYR A 90 9.301 1.801 -8.889 1.00 0.00 O ATOM 0 H TYR A 90 11.079 9.175 -5.420 1.00 0.00 H new ATOM 0 HA TYR A 90 12.016 6.755 -6.845 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.808 6.743 -5.328 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.112 7.519 -6.737 1.00 0.00 H new ATOM 0 HD1 TYR A 90 11.337 4.581 -5.975 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.128 6.121 -8.318 1.00 0.00 H new ATOM 0 HE1 TYR A 90 11.071 2.389 -7.050 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.861 3.930 -9.394 1.00 0.00 H new ATOM 0 HH TYR A 90 9.414 1.093 -8.221 1.00 0.00 H new ATOM 1370 N PRO A 91 11.846 7.922 -9.063 1.00 0.00 N ATOM 1371 CA PRO A 91 11.834 8.622 -10.355 1.00 0.00 C ATOM 1372 C PRO A 91 10.485 8.519 -11.061 1.00 0.00 C ATOM 1373 O PRO A 91 9.773 7.526 -10.917 1.00 0.00 O ATOM 1374 CB PRO A 91 12.917 7.906 -11.179 1.00 0.00 C ATOM 1375 CG PRO A 91 13.660 7.046 -10.212 1.00 0.00 C ATOM 1376 CD PRO A 91 12.694 6.723 -9.112 1.00 0.00 C ATOM 0 HA PRO A 91 12.015 9.689 -10.229 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.472 7.307 -11.973 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.584 8.624 -11.657 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.018 6.137 -10.695 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.535 7.566 -9.822 1.00 0.00 H new ATOM 0 HD2 PRO A 91 12.115 5.826 -9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.203 6.549 -8.164 1.00 0.00 H new ATOM 1384 N LYS A 92 10.142 9.553 -11.827 1.00 0.00 N ATOM 1385 CA LYS A 92 8.879 9.579 -12.561 1.00 0.00 C ATOM 1386 C LYS A 92 8.721 8.324 -13.415 1.00 0.00 C ATOM 1387 O LYS A 92 9.182 8.276 -14.555 1.00 0.00 O ATOM 1388 CB LYS A 92 8.803 10.824 -13.446 1.00 0.00 C ATOM 1389 CG LYS A 92 7.471 10.978 -14.164 1.00 0.00 C ATOM 1390 CD LYS A 92 6.866 12.355 -13.935 1.00 0.00 C ATOM 1391 CE LYS A 92 7.106 13.274 -15.121 1.00 0.00 C ATOM 1392 NZ LYS A 92 5.897 13.398 -15.982 1.00 0.00 N ATOM 0 H LYS A 92 10.721 10.383 -11.955 1.00 0.00 H new ATOM 0 HA LYS A 92 8.067 9.609 -11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.980 11.707 -12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.603 10.784 -14.185 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.612 10.815 -15.233 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.778 10.213 -13.814 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.795 12.258 -13.760 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.297 12.798 -13.037 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.399 14.261 -14.762 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.936 12.891 -15.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.102 14.033 -16.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.632 12.460 -16.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.111 13.787 -15.423 1.00 0.00 H new ATOM 1406 N ARG A 93 8.079 7.304 -12.852 1.00 0.00 N ATOM 1407 CA ARG A 93 7.878 6.044 -13.565 1.00 0.00 C ATOM 1408 C ARG A 93 6.401 5.660 -13.648 1.00 0.00 C ATOM 1409 O ARG A 93 5.534 6.338 -13.096 1.00 0.00 O ATOM 1410 CB ARG A 93 8.669 4.923 -12.884 1.00 0.00 C ATOM 1411 CG ARG A 93 9.641 4.214 -13.813 1.00 0.00 C ATOM 1412 CD ARG A 93 10.609 5.191 -14.462 1.00 0.00 C ATOM 1413 NE ARG A 93 12.001 4.858 -14.170 1.00 0.00 N ATOM 1414 CZ ARG A 93 12.610 3.761 -14.613 1.00 0.00 C ATOM 1415 NH1 ARG A 93 11.954 2.889 -15.368 1.00 0.00 N ATOM 1416 NH2 ARG A 93 13.879 3.535 -14.300 1.00 0.00 N ATOM 0 H ARG A 93 7.690 7.324 -11.909 1.00 0.00 H new ATOM 0 HA ARG A 93 8.240 6.184 -14.583 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.222 5.339 -12.042 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.970 4.192 -12.476 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.200 3.465 -13.252 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.085 3.684 -14.586 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.455 5.191 -15.541 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.396 6.200 -14.110 1.00 0.00 H new ATOM 0 HE ARG A 93 12.538 5.505 -13.592 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.978 3.058 -15.612 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.426 2.050 -15.705 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.388 4.202 -13.720 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.346 2.694 -14.639 1.00 0.00 H new ATOM 1430 N TYR A 94 6.132 4.559 -14.346 1.00 0.00 N ATOM 1431 CA TYR A 94 4.773 4.056 -14.516 1.00 0.00 C ATOM 1432 C TYR A 94 4.472 2.935 -13.524 1.00 0.00 C ATOM 1433 O TYR A 94 5.262 2.003 -13.368 1.00 0.00 O ATOM 1434 CB TYR A 94 4.579 3.544 -15.941 1.00 0.00 C ATOM 1435 CG TYR A 94 4.120 4.611 -16.902 1.00 0.00 C ATOM 1436 CD1 TYR A 94 4.813 5.806 -17.015 1.00 0.00 C ATOM 1437 CD2 TYR A 94 2.997 4.423 -17.694 1.00 0.00 C ATOM 1438 CE1 TYR A 94 4.401 6.787 -17.891 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.576 5.398 -18.574 1.00 0.00 C ATOM 1440 CZ TYR A 94 3.281 6.580 -18.670 1.00 0.00 C ATOM 1441 OH TYR A 94 2.866 7.557 -19.546 1.00 0.00 O ATOM 0 H TYR A 94 6.846 3.994 -14.807 1.00 0.00 H new ATOM 0 HA TYR A 94 4.084 4.879 -14.326 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.518 3.122 -16.299 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.849 2.735 -15.932 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.690 5.971 -16.407 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.443 3.499 -17.620 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.952 7.713 -17.967 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.700 5.237 -19.184 1.00 0.00 H new ATOM 0 HH TYR A 94 2.063 7.253 -20.019 1.00 0.00 H new ATOM 1451 N GLN A 95 3.323 3.027 -12.861 1.00 0.00 N ATOM 1452 CA GLN A 95 2.915 2.016 -11.890 1.00 0.00 C ATOM 1453 C GLN A 95 1.477 1.572 -12.146 1.00 0.00 C ATOM 1454 O GLN A 95 0.592 2.403 -12.348 1.00 0.00 O ATOM 1455 CB GLN A 95 3.053 2.558 -10.467 1.00 0.00 C ATOM 1456 CG GLN A 95 4.493 2.817 -10.054 1.00 0.00 C ATOM 1457 CD GLN A 95 4.899 2.033 -8.821 1.00 0.00 C ATOM 1458 OE1 GLN A 95 4.450 0.906 -8.613 1.00 0.00 O ATOM 1459 NE2 GLN A 95 5.752 2.628 -7.995 1.00 0.00 N ATOM 0 H GLN A 95 2.658 3.791 -12.978 1.00 0.00 H new ATOM 0 HA GLN A 95 3.569 1.151 -12.002 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.487 3.486 -10.384 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.606 1.848 -9.771 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.156 2.557 -10.879 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.626 3.882 -9.862 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.099 3.563 -8.207 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.060 2.149 -7.149 1.00 0.00 H new ATOM 1468 N SER A 96 1.249 0.261 -12.150 1.00 0.00 N ATOM 1469 CA SER A 96 -0.087 -0.274 -12.399 1.00 0.00 C ATOM 1470 C SER A 96 -0.772 -0.730 -11.111 1.00 0.00 C ATOM 1471 O SER A 96 -0.136 -1.286 -10.218 1.00 0.00 O ATOM 1472 CB SER A 96 -0.009 -1.443 -13.383 1.00 0.00 C ATOM 1473 OG SER A 96 -1.107 -1.431 -14.279 1.00 0.00 O ATOM 0 H SER A 96 1.966 -0.446 -11.985 1.00 0.00 H new ATOM 0 HA SER A 96 -0.685 0.531 -12.827 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.923 -1.388 -13.945 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.006 -2.384 -12.834 1.00 0.00 H new ATOM 0 HG SER A 96 -1.032 -2.187 -14.898 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.085 -0.503 -11.042 1.00 0.00 N ATOM 1480 CA HIS A 97 -2.895 -0.895 -9.887 1.00 0.00 C ATOM 1481 C HIS A 97 -2.687 0.042 -8.694 1.00 0.00 C ATOM 1482 O HIS A 97 -2.360 -0.401 -7.590 1.00 0.00 O ATOM 1483 CB HIS A 97 -2.596 -2.345 -9.487 1.00 0.00 C ATOM 1484 CG HIS A 97 -3.788 -3.246 -9.592 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -4.421 -3.789 -8.495 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -4.467 -3.693 -10.676 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -5.438 -4.531 -8.897 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.487 -4.489 -10.216 1.00 0.00 N ATOM 0 H HIS A 97 -2.615 -0.044 -11.782 1.00 0.00 H new ATOM 0 HA HIS A 97 -3.941 -0.817 -10.184 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.799 -2.733 -10.122 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.225 -2.363 -8.462 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.247 -3.466 -11.709 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.114 -5.078 -8.256 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.172 -4.970 -10.799 1.00 0.00 H new ATOM 1497 N VAL A 98 -2.900 1.338 -8.915 1.00 0.00 N ATOM 1498 CA VAL A 98 -2.753 2.324 -7.847 1.00 0.00 C ATOM 1499 C VAL A 98 -4.040 3.125 -7.662 1.00 0.00 C ATOM 1500 O VAL A 98 -4.695 3.496 -8.635 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.569 3.284 -8.111 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -1.817 4.153 -9.330 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.294 4.159 -6.903 1.00 0.00 C ATOM 0 H VAL A 98 -3.173 1.727 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.544 1.772 -6.931 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.693 2.664 -8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.965 4.815 -9.485 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.949 3.520 -10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.716 4.750 -9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.457 4.823 -7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.179 4.753 -6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.048 3.531 -6.047 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.398 3.386 -6.409 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.606 4.144 -6.098 1.00 0.00 C ATOM 1515 C LEU A 99 -5.242 5.554 -5.660 1.00 0.00 C ATOM 1516 O LEU A 99 -4.334 5.741 -4.853 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.408 3.447 -4.997 1.00 0.00 C ATOM 1518 CG LEU A 99 -6.927 2.053 -5.356 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -6.011 0.983 -4.786 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.349 1.865 -4.850 1.00 0.00 C ATOM 0 H LEU A 99 -3.869 3.084 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.220 4.198 -6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.782 3.367 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.257 4.077 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.935 1.957 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.394 -0.003 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.009 1.105 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.972 1.078 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.701 0.868 -5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.368 1.980 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.999 2.612 -5.306 1.00 0.00 H new ATOM 1532 N LEU A 100 -5.940 6.549 -6.197 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.651 7.933 -5.845 1.00 0.00 C ATOM 1534 C LEU A 100 -6.835 8.614 -5.165 1.00 0.00 C ATOM 1535 O LEU A 100 -7.988 8.429 -5.558 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.207 8.714 -7.078 1.00 0.00 C ATOM 1537 CG LEU A 100 -3.689 8.826 -7.229 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.320 9.376 -8.592 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.108 9.702 -6.130 1.00 0.00 C ATOM 0 H LEU A 100 -6.699 6.426 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.834 7.923 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.616 8.233 -7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.633 9.717 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.265 7.826 -7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.235 9.446 -8.675 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.701 8.712 -9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.758 10.366 -8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.027 9.771 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.544 10.699 -6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.336 9.265 -5.158 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.529 9.395 -4.129 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.547 10.107 -3.362 1.00 0.00 C ATOM 1553 C ALA A 101 -7.198 11.582 -3.200 1.00 0.00 C ATOM 1554 O ALA A 101 -6.174 11.922 -2.611 1.00 0.00 O ATOM 1555 CB ALA A 101 -7.696 9.467 -1.993 1.00 0.00 C ATOM 0 H ALA A 101 -5.576 9.550 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.487 10.041 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.456 10.001 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.994 8.425 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.745 9.516 -1.463 1.00 0.00 H new ATOM 1561 N THR A 102 -8.057 12.458 -3.704 1.00 0.00 N ATOM 1562 CA THR A 102 -7.825 13.892 -3.588 1.00 0.00 C ATOM 1563 C THR A 102 -8.364 14.421 -2.261 1.00 0.00 C ATOM 1564 O THR A 102 -9.575 14.453 -2.039 1.00 0.00 O ATOM 1565 CB THR A 102 -8.469 14.635 -4.759 1.00 0.00 C ATOM 1566 OG1 THR A 102 -8.482 16.031 -4.520 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.893 14.202 -5.035 1.00 0.00 C ATOM 0 H THR A 102 -8.915 12.204 -4.194 1.00 0.00 H new ATOM 0 HA THR A 102 -6.749 14.067 -3.615 1.00 0.00 H new ATOM 0 HB THR A 102 -7.858 14.388 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.896 16.489 -5.281 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.289 14.769 -5.878 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.910 13.138 -5.273 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.507 14.386 -4.153 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.454 14.833 -1.382 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.848 15.353 -0.084 1.00 0.00 C ATOM 1577 C GLY A 103 -8.184 16.830 -0.130 1.00 0.00 C ATOM 1578 O GLY A 103 -9.316 17.208 -0.434 1.00 0.00 O ATOM 0 H GLY A 103 -6.448 14.816 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.713 14.798 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.041 15.189 0.630 1.00 0.00 H new ATOM 1582 N PHE A 104 -7.197 17.667 0.174 1.00 0.00 N ATOM 1583 CA PHE A 104 -7.389 19.112 0.168 1.00 0.00 C ATOM 1584 C PHE A 104 -6.061 19.835 -0.031 1.00 0.00 C ATOM 1585 O PHE A 104 -5.961 20.763 -0.833 1.00 0.00 O ATOM 1586 CB PHE A 104 -8.040 19.567 1.475 1.00 0.00 C ATOM 1587 CG PHE A 104 -8.882 20.802 1.329 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -9.909 20.851 0.399 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -8.647 21.914 2.121 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -10.685 21.986 0.262 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -9.420 23.052 1.989 1.00 0.00 C ATOM 1592 CZ PHE A 104 -10.440 23.088 1.058 1.00 0.00 C ATOM 0 H PHE A 104 -6.255 17.368 0.428 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.048 19.363 -0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.660 18.759 1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.261 19.754 2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -10.105 19.992 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.851 21.891 2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.482 22.012 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -9.227 23.912 2.613 1.00 0.00 H new ATOM 0 HZ PHE A 104 -11.045 23.976 0.953 1.00 0.00 H new ATOM 1602 N SER A 105 -5.042 19.402 0.706 1.00 0.00 N ATOM 1603 CA SER A 105 -3.718 20.007 0.611 1.00 0.00 C ATOM 1604 C SER A 105 -2.693 19.199 1.400 1.00 0.00 C ATOM 1605 O SER A 105 -2.351 19.547 2.530 1.00 0.00 O ATOM 1606 CB SER A 105 -3.755 21.447 1.124 1.00 0.00 C ATOM 1607 OG SER A 105 -2.446 21.965 1.281 1.00 0.00 O ATOM 0 H SER A 105 -5.108 18.635 1.375 1.00 0.00 H new ATOM 0 HA SER A 105 -3.421 20.010 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.315 22.070 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.281 21.483 2.078 1.00 0.00 H new ATOM 0 HG SER A 105 -2.496 22.887 1.608 1.00 0.00 H new ATOM 1613 N GLU A 106 -2.208 18.118 0.798 1.00 0.00 N ATOM 1614 CA GLU A 106 -1.223 17.259 1.444 1.00 0.00 C ATOM 1615 C GLU A 106 0.064 17.190 0.622 1.00 0.00 C ATOM 1616 O GLU A 106 0.215 16.321 -0.236 1.00 0.00 O ATOM 1617 CB GLU A 106 -1.795 15.853 1.641 1.00 0.00 C ATOM 1618 CG GLU A 106 -2.066 15.505 3.096 1.00 0.00 C ATOM 1619 CD GLU A 106 -3.247 16.266 3.667 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -3.075 17.451 4.021 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -4.344 15.677 3.760 1.00 0.00 O ATOM 0 H GLU A 106 -2.482 17.816 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.986 17.687 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.723 15.765 1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.098 15.125 1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.253 14.434 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.178 15.722 3.689 1.00 0.00 H new ATOM 1628 N PRO A 107 1.012 18.109 0.877 1.00 0.00 N ATOM 1629 CA PRO A 107 2.289 18.146 0.157 1.00 0.00 C ATOM 1630 C PRO A 107 2.994 16.794 0.161 1.00 0.00 C ATOM 1631 O PRO A 107 3.256 16.216 -0.894 1.00 0.00 O ATOM 1632 CB PRO A 107 3.108 19.177 0.936 1.00 0.00 C ATOM 1633 CG PRO A 107 2.094 20.061 1.575 1.00 0.00 C ATOM 1634 CD PRO A 107 0.915 19.180 1.887 1.00 0.00 C ATOM 0 HA PRO A 107 2.156 18.396 -0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 107 3.742 18.697 1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 107 3.765 19.742 0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 107 2.490 20.518 2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 107 1.808 20.874 0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.967 18.782 2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -0.026 19.724 1.806 1.00 0.00 H new ATOM 1642 N GLY A 108 3.299 16.295 1.354 1.00 0.00 N ATOM 1643 CA GLY A 108 3.971 15.015 1.472 1.00 0.00 C ATOM 1644 C GLY A 108 3.005 13.874 1.726 1.00 0.00 C ATOM 1645 O GLY A 108 1.789 14.060 1.684 1.00 0.00 O ATOM 0 H GLY A 108 3.093 16.754 2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.531 14.816 0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.695 15.062 2.285 1.00 0.00 H new ATOM 1649 N ASP A 109 3.548 12.690 1.990 1.00 0.00 N ATOM 1650 CA ASP A 109 2.727 11.514 2.253 1.00 0.00 C ATOM 1651 C ASP A 109 3.505 10.478 3.056 1.00 0.00 C ATOM 1652 O ASP A 109 4.181 9.619 2.490 1.00 0.00 O ATOM 1653 CB ASP A 109 2.241 10.901 0.938 1.00 0.00 C ATOM 1654 CG ASP A 109 0.815 10.396 1.029 1.00 0.00 C ATOM 1655 OD1 ASP A 109 0.367 10.079 2.151 1.00 0.00 O ATOM 1656 OD2 ASP A 109 0.145 10.317 -0.023 1.00 0.00 O ATOM 0 H ASP A 109 4.553 12.520 2.027 1.00 0.00 H new ATOM 0 HA ASP A 109 1.863 11.827 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.310 11.646 0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.898 10.077 0.659 1.00 0.00 H new ATOM 1661 N ALA A 110 3.406 10.566 4.378 1.00 0.00 N ATOM 1662 CA ALA A 110 4.100 9.636 5.261 1.00 0.00 C ATOM 1663 C ALA A 110 3.118 8.911 6.176 1.00 0.00 C ATOM 1664 O ALA A 110 3.147 9.081 7.395 1.00 0.00 O ATOM 1665 CB ALA A 110 5.147 10.374 6.082 1.00 0.00 C ATOM 0 H ALA A 110 2.852 11.272 4.862 1.00 0.00 H new ATOM 0 HA ALA A 110 4.598 8.888 4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.659 9.669 6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.871 10.840 5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.662 11.143 6.684 1.00 0.00 H new ATOM 1671 N GLY A 111 2.249 8.103 5.578 1.00 0.00 N ATOM 1672 CA GLY A 111 1.269 7.364 6.353 1.00 0.00 C ATOM 1673 C GLY A 111 1.668 5.917 6.567 1.00 0.00 C ATOM 1674 O GLY A 111 2.518 5.618 7.406 1.00 0.00 O ATOM 0 H GLY A 111 2.206 7.947 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.136 7.848 7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.306 7.400 5.844 1.00 0.00 H new ATOM 1678 N GLY A 112 1.054 5.017 5.806 1.00 0.00 N ATOM 1679 CA GLY A 112 1.363 3.605 5.931 1.00 0.00 C ATOM 1680 C GLY A 112 0.582 2.750 4.953 1.00 0.00 C ATOM 1681 O GLY A 112 1.010 2.546 3.817 1.00 0.00 O ATOM 0 H GLY A 112 0.348 5.241 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.430 3.454 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.146 3.278 6.948 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.565 2.247 5.396 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.407 1.407 4.553 1.00 0.00 C ATOM 1687 C ILE A 113 -2.830 1.951 4.484 1.00 0.00 C ATOM 1688 O ILE A 113 -3.335 2.514 5.454 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.450 -0.044 5.068 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -1.972 -0.082 6.506 1.00 0.00 C ATOM 1691 CG2 ILE A 113 -0.069 -0.678 4.982 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -2.076 -1.481 7.074 1.00 0.00 C ATOM 0 H ILE A 113 -0.933 2.406 6.334 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.966 1.417 3.556 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.131 -0.618 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.312 0.511 7.139 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.954 0.389 6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.116 -1.703 5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.267 -0.679 3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.632 -0.106 5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.452 -1.432 8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.759 -2.072 6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.091 -1.949 7.072 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.474 1.779 3.333 1.00 0.00 N ATOM 1705 CA LEU A 114 -4.839 2.257 3.152 1.00 0.00 C ATOM 1706 C LEU A 114 -5.842 1.203 3.605 1.00 0.00 C ATOM 1707 O LEU A 114 -5.958 0.139 2.992 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.091 2.611 1.685 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.552 2.888 1.333 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.065 4.088 2.111 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -6.710 3.107 -0.164 1.00 0.00 C ATOM 0 H LEU A 114 -3.075 1.315 2.517 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.968 3.151 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.498 3.490 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.731 1.793 1.062 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.147 2.018 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.107 4.273 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.989 3.888 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.468 4.965 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -7.757 3.303 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.105 3.959 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.381 2.216 -0.699 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.564 1.510 4.680 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.563 0.596 5.221 1.00 0.00 C ATOM 1725 C ARG A 115 -8.956 1.220 5.209 1.00 0.00 C ATOM 1726 O ARG A 115 -9.109 2.426 5.403 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.189 0.188 6.648 1.00 0.00 C ATOM 1728 CG ARG A 115 -5.837 -0.498 6.751 1.00 0.00 C ATOM 1729 CD ARG A 115 -5.683 -1.231 8.074 1.00 0.00 C ATOM 1730 NE ARG A 115 -5.029 -0.404 9.086 1.00 0.00 N ATOM 1731 CZ ARG A 115 -5.061 -0.665 10.390 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -5.713 -1.727 10.846 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -4.439 0.139 11.243 1.00 0.00 N ATOM 0 H ARG A 115 -6.475 2.387 5.193 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.582 -0.289 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.186 1.075 7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.957 -0.480 7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.722 -1.203 5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.044 0.242 6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.665 -1.537 8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.103 -2.141 7.919 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.518 0.422 8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -6.193 -2.349 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.734 -1.922 11.847 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.936 0.957 10.899 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.464 -0.061 12.243 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.971 0.386 5.009 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.355 0.845 5.006 1.00 0.00 C ATOM 1749 C CYS A 116 -12.130 0.149 6.117 1.00 0.00 C ATOM 1750 O CYS A 116 -11.588 -0.705 6.820 1.00 0.00 O ATOM 1751 CB CYS A 116 -12.023 0.573 3.653 1.00 0.00 C ATOM 1752 SG CYS A 116 -12.066 -1.187 3.186 1.00 0.00 S ATOM 0 H CYS A 116 -9.860 -0.615 4.846 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.360 1.921 5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.043 0.956 3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.494 1.130 2.880 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.398 0.507 6.272 1.00 0.00 N ATOM 1758 CA GLU A 117 -14.237 -0.097 7.300 1.00 0.00 C ATOM 1759 C GLU A 117 -14.289 -1.618 7.150 1.00 0.00 C ATOM 1760 O GLU A 117 -14.656 -2.329 8.085 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.652 0.480 7.236 1.00 0.00 C ATOM 1762 CG GLU A 117 -16.313 0.319 5.877 1.00 0.00 C ATOM 1763 CD GLU A 117 -17.684 0.964 5.815 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -18.529 0.646 6.679 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -17.913 1.786 4.903 1.00 0.00 O ATOM 0 H GLU A 117 -13.867 1.210 5.701 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.797 0.136 8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -16.269 -0.008 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -15.615 1.539 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.674 0.759 5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.404 -0.742 5.645 1.00 0.00 H new ATOM 1772 N HIS A 118 -13.932 -2.109 5.965 1.00 0.00 N ATOM 1773 CA HIS A 118 -13.951 -3.542 5.694 1.00 0.00 C ATOM 1774 C HIS A 118 -12.591 -4.193 5.958 1.00 0.00 C ATOM 1775 O HIS A 118 -12.526 -5.354 6.364 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.382 -3.793 4.247 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.602 -3.021 3.845 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.566 -1.965 2.958 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.899 -3.154 4.214 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -16.785 -1.482 2.799 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.612 -2.187 3.549 1.00 0.00 N ATOM 0 H HIS A 118 -13.627 -1.535 5.179 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.670 -3.998 6.375 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.560 -3.531 3.581 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.575 -4.857 4.113 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.298 -3.884 4.903 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.059 -0.652 2.164 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -18.618 -2.037 3.623 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.505 -3.453 5.728 1.00 0.00 N ATOM 1790 CA GLY A 119 -10.178 -4.009 5.957 1.00 0.00 C ATOM 1791 C GLY A 119 -9.059 -3.191 5.335 1.00 0.00 C ATOM 1792 O GLY A 119 -9.015 -1.970 5.477 1.00 0.00 O ATOM 0 H GLY A 119 -11.519 -2.490 5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.006 -4.087 7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.143 -5.021 5.555 1.00 0.00 H new ATOM 1796 N VAL A 120 -8.144 -3.880 4.656 1.00 0.00 N ATOM 1797 CA VAL A 120 -6.999 -3.235 4.014 1.00 0.00 C ATOM 1798 C VAL A 120 -7.143 -3.217 2.495 1.00 0.00 C ATOM 1799 O VAL A 120 -7.517 -4.219 1.886 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.677 -3.946 4.368 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.488 -3.141 3.874 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.576 -4.195 5.864 1.00 0.00 C ATOM 0 H VAL A 120 -8.174 -4.892 4.535 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.976 -2.212 4.390 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.668 -4.913 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.565 -3.659 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.549 -3.029 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.495 -2.157 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.635 -4.697 6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.614 -3.244 6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.407 -4.823 6.185 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.837 -2.073 1.888 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.927 -1.930 0.439 1.00 0.00 C ATOM 1814 C ILE A 121 -5.544 -1.934 -0.201 1.00 0.00 C ATOM 1815 O ILE A 121 -5.288 -2.700 -1.128 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.664 -0.635 0.039 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -9.108 -0.684 0.530 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.620 -0.427 -1.469 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -9.222 -0.594 2.030 1.00 0.00 C ATOM 0 H ILE A 121 -6.525 -1.234 2.377 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.496 -2.785 0.075 1.00 0.00 H new ATOM 0 HB ILE A 121 -7.159 0.209 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.668 0.135 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.570 -1.611 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.146 0.492 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.583 -0.354 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.099 -1.270 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.272 -0.634 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.689 -1.428 2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -8.788 0.345 2.372 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.657 -1.070 0.286 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.322 -1.005 -0.281 1.00 0.00 C ATOM 1833 C GLY A 122 -2.310 -0.337 0.630 1.00 0.00 C ATOM 1834 O GLY A 122 -2.570 -0.124 1.814 1.00 0.00 O ATOM 0 H GLY A 122 -4.836 -0.422 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.983 -2.016 -0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.363 -0.462 -1.225 1.00 0.00 H new ATOM 1838 N LEU A 123 -1.148 -0.010 0.068 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.080 0.635 0.822 1.00 0.00 C ATOM 1840 C LEU A 123 0.346 1.942 0.159 1.00 0.00 C ATOM 1841 O LEU A 123 0.024 2.195 -1.002 1.00 0.00 O ATOM 1842 CB LEU A 123 1.123 -0.302 0.949 1.00 0.00 C ATOM 1843 CG LEU A 123 1.456 -1.102 -0.311 1.00 0.00 C ATOM 1844 CD1 LEU A 123 2.944 -1.411 -0.367 1.00 0.00 C ATOM 1845 CD2 LEU A 123 0.641 -2.385 -0.357 1.00 0.00 C ATOM 0 H LEU A 123 -0.923 -0.183 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.461 0.862 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.996 0.288 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.936 -1.000 1.765 1.00 0.00 H new ATOM 0 HG LEU A 123 1.197 -0.499 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.164 -1.981 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.509 -0.479 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.228 -1.995 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 123 0.890 -2.942 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.869 -2.992 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.421 -2.141 -0.363 1.00 0.00 H new ATOM 1857 N VAL A 124 1.066 2.771 0.908 1.00 0.00 N ATOM 1858 CA VAL A 124 1.534 4.059 0.401 1.00 0.00 C ATOM 1859 C VAL A 124 2.376 3.899 -0.862 1.00 0.00 C ATOM 1860 O VAL A 124 3.472 3.341 -0.824 1.00 0.00 O ATOM 1861 CB VAL A 124 2.365 4.809 1.461 1.00 0.00 C ATOM 1862 CG1 VAL A 124 1.457 5.435 2.507 1.00 0.00 C ATOM 1863 CG2 VAL A 124 3.377 3.877 2.112 1.00 0.00 C ATOM 0 H VAL A 124 1.339 2.574 1.871 1.00 0.00 H new ATOM 0 HA VAL A 124 0.642 4.638 0.161 1.00 0.00 H new ATOM 0 HB VAL A 124 2.914 5.608 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.062 5.960 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.780 6.140 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.878 4.654 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.952 4.427 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.854 3.052 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.051 3.483 1.351 1.00 0.00 H new ATOM 1873 N THR A 125 1.861 4.408 -1.979 1.00 0.00 N ATOM 1874 CA THR A 125 2.574 4.337 -3.250 1.00 0.00 C ATOM 1875 C THR A 125 3.153 5.709 -3.603 1.00 0.00 C ATOM 1876 O THR A 125 4.288 6.015 -3.236 1.00 0.00 O ATOM 1877 CB THR A 125 1.646 3.813 -4.356 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.534 2.407 -4.272 1.00 0.00 O ATOM 1879 CG2 THR A 125 2.107 4.145 -5.762 1.00 0.00 C ATOM 0 H THR A 125 0.954 4.873 -2.029 1.00 0.00 H new ATOM 0 HA THR A 125 3.403 3.636 -3.158 1.00 0.00 H new ATOM 0 HB THR A 125 0.693 4.313 -4.186 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.428 2.010 -4.219 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.397 3.740 -6.483 1.00 0.00 H new ATOM 0 HG22 THR A 125 2.166 5.227 -5.880 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.090 3.707 -5.935 1.00 0.00 H new ATOM 1887 N MET A 126 2.380 6.541 -4.301 1.00 0.00 N ATOM 1888 CA MET A 126 2.855 7.873 -4.666 1.00 0.00 C ATOM 1889 C MET A 126 1.811 8.938 -4.349 1.00 0.00 C ATOM 1890 O MET A 126 0.637 8.633 -4.161 1.00 0.00 O ATOM 1891 CB MET A 126 3.228 7.928 -6.146 1.00 0.00 C ATOM 1892 CG MET A 126 4.453 8.772 -6.425 1.00 0.00 C ATOM 1893 SD MET A 126 5.983 7.841 -6.235 1.00 0.00 S ATOM 1894 CE MET A 126 7.071 9.141 -5.679 1.00 0.00 C ATOM 0 H MET A 126 1.437 6.320 -4.620 1.00 0.00 H new ATOM 0 HA MET A 126 3.745 8.079 -4.072 1.00 0.00 H new ATOM 0 HB2 MET A 126 3.404 6.915 -6.507 1.00 0.00 H new ATOM 0 HB3 MET A 126 2.385 8.326 -6.711 1.00 0.00 H new ATOM 0 HG2 MET A 126 4.395 9.168 -7.439 1.00 0.00 H new ATOM 0 HG3 MET A 126 4.464 9.627 -5.749 1.00 0.00 H new ATOM 0 HE1 MET A 126 7.819 8.726 -5.004 1.00 0.00 H new ATOM 0 HE2 MET A 126 7.568 9.592 -6.538 1.00 0.00 H new ATOM 0 HE3 MET A 126 6.492 9.901 -5.155 1.00 0.00 H new ATOM 1904 N GLY A 127 2.250 10.191 -4.288 1.00 0.00 N ATOM 1905 CA GLY A 127 1.340 11.282 -3.991 1.00 0.00 C ATOM 1906 C GLY A 127 1.514 12.456 -4.934 1.00 0.00 C ATOM 1907 O GLY A 127 2.544 12.580 -5.596 1.00 0.00 O ATOM 0 H GLY A 127 3.219 10.470 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.313 10.921 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 127 1.501 11.616 -2.966 1.00 0.00 H new ATOM 1911 N GLY A 128 0.505 13.319 -4.995 1.00 0.00 N ATOM 1912 CA GLY A 128 0.572 14.477 -5.867 1.00 0.00 C ATOM 1913 C GLY A 128 0.478 15.784 -5.105 1.00 0.00 C ATOM 1914 O GLY A 128 0.817 15.846 -3.923 1.00 0.00 O ATOM 0 H GLY A 128 -0.357 13.237 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.507 14.453 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.237 14.426 -6.596 1.00 0.00 H new ATOM 1918 N GLU A 129 0.015 16.830 -5.781 1.00 0.00 N ATOM 1919 CA GLU A 129 -0.124 18.141 -5.157 1.00 0.00 C ATOM 1920 C GLU A 129 -1.286 18.154 -4.166 1.00 0.00 C ATOM 1921 O GLU A 129 -1.359 19.021 -3.294 1.00 0.00 O ATOM 1922 CB GLU A 129 -0.338 19.216 -6.225 1.00 0.00 C ATOM 1923 CG GLU A 129 0.664 19.147 -7.366 1.00 0.00 C ATOM 1924 CD GLU A 129 1.866 20.043 -7.141 1.00 0.00 C ATOM 1925 OE1 GLU A 129 1.739 21.030 -6.386 1.00 0.00 O ATOM 1926 OE2 GLU A 129 2.936 19.758 -7.720 1.00 0.00 O ATOM 0 H GLU A 129 -0.270 16.796 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 129 0.796 18.356 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -1.345 19.118 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.277 20.199 -5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 129 1.001 18.117 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.171 19.433 -8.295 1.00 0.00 H new ATOM 1933 N GLY A 130 -2.191 17.189 -4.303 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.333 17.110 -3.411 1.00 0.00 C ATOM 1935 C GLY A 130 -4.084 15.800 -3.543 1.00 0.00 C ATOM 1936 O GLY A 130 -5.295 15.746 -3.324 1.00 0.00 O ATOM 0 H GLY A 130 -2.153 16.461 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.995 17.229 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.012 17.937 -3.621 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.367 14.739 -3.903 1.00 0.00 N ATOM 1941 CA VAL A 131 -3.977 13.424 -4.063 1.00 0.00 C ATOM 1942 C VAL A 131 -3.160 12.351 -3.347 1.00 0.00 C ATOM 1943 O VAL A 131 -1.967 12.529 -3.097 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.136 13.039 -5.550 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.335 12.122 -5.738 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.269 14.280 -6.423 1.00 0.00 C ATOM 0 H VAL A 131 -2.364 14.765 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.969 13.483 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.239 12.503 -5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.432 11.861 -6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.195 11.215 -5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.239 12.633 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.380 13.981 -7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.145 14.850 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.378 14.898 -6.315 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.814 11.242 -3.013 1.00 0.00 N ATOM 1957 CA VAL A 132 -3.156 10.142 -2.315 1.00 0.00 C ATOM 1958 C VAL A 132 -3.081 8.904 -3.200 1.00 0.00 C ATOM 1959 O VAL A 132 -4.107 8.349 -3.576 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.906 9.752 -1.019 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -2.955 9.108 -0.027 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -4.612 10.947 -0.386 1.00 0.00 C ATOM 0 H VAL A 132 -4.801 11.081 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.155 10.493 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.674 9.028 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.500 8.840 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.522 8.211 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.159 9.810 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.125 10.628 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.878 11.713 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -5.338 11.355 -1.089 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.867 8.462 -3.508 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.700 7.277 -4.334 1.00 0.00 C ATOM 1974 C GLY A 133 -1.343 6.058 -3.506 1.00 0.00 C ATOM 1975 O GLY A 133 -0.350 6.066 -2.778 1.00 0.00 O ATOM 0 H GLY A 133 -0.998 8.900 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.621 7.085 -4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.919 7.456 -5.073 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.159 5.014 -3.601 1.00 0.00 N ATOM 1980 CA PHE A 134 -1.926 3.793 -2.837 1.00 0.00 C ATOM 1981 C PHE A 134 -1.859 2.567 -3.739 1.00 0.00 C ATOM 1982 O PHE A 134 -2.588 2.465 -4.724 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.033 3.605 -1.798 1.00 0.00 C ATOM 1984 CG PHE A 134 -2.973 4.596 -0.674 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -1.865 4.650 0.153 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.018 5.477 -0.449 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -1.798 5.564 1.185 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -3.958 6.392 0.584 1.00 0.00 C ATOM 1989 CZ PHE A 134 -2.845 6.437 1.401 1.00 0.00 C ATOM 0 H PHE A 134 -2.986 4.988 -4.198 1.00 0.00 H new ATOM 0 HA PHE A 134 -0.963 3.897 -2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.001 3.686 -2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.968 2.597 -1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.043 3.969 -0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -4.888 5.448 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -0.927 5.596 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -4.780 7.071 0.753 1.00 0.00 H new ATOM 0 HZ PHE A 134 -2.794 7.154 2.207 1.00 0.00 H new ATOM 1999 N ALA A 135 -0.991 1.628 -3.379 1.00 0.00 N ATOM 2000 CA ALA A 135 -0.840 0.394 -4.136 1.00 0.00 C ATOM 2001 C ALA A 135 -1.813 -0.654 -3.611 1.00 0.00 C ATOM 2002 O ALA A 135 -1.711 -1.085 -2.464 1.00 0.00 O ATOM 2003 CB ALA A 135 0.593 -0.103 -4.048 1.00 0.00 C ATOM 0 H ALA A 135 -0.380 1.700 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.068 0.584 -5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.693 -1.027 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.265 0.651 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.850 -0.291 -3.005 1.00 0.00 H new ATOM 2009 N ASP A 136 -2.773 -1.037 -4.444 1.00 0.00 N ATOM 2010 CA ASP A 136 -3.788 -2.007 -4.042 1.00 0.00 C ATOM 2011 C ASP A 136 -3.211 -3.402 -3.821 1.00 0.00 C ATOM 2012 O ASP A 136 -2.402 -3.890 -4.609 1.00 0.00 O ATOM 2013 CB ASP A 136 -4.896 -2.075 -5.095 1.00 0.00 C ATOM 2014 CG ASP A 136 -6.246 -2.412 -4.493 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -6.276 -3.000 -3.391 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -7.275 -2.087 -5.123 1.00 0.00 O ATOM 0 H ASP A 136 -2.871 -0.693 -5.399 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.194 -1.664 -3.090 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -4.961 -1.118 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -4.637 -2.825 -5.843 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.669 -4.043 -2.747 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.246 -5.398 -2.408 1.00 0.00 C ATOM 2023 C VAL A 137 -4.303 -6.405 -2.867 1.00 0.00 C ATOM 2024 O VAL A 137 -4.188 -7.605 -2.623 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.021 -5.560 -0.886 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.593 -6.981 -0.545 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -1.992 -4.560 -0.383 1.00 0.00 C ATOM 0 H VAL A 137 -4.339 -3.640 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.301 -5.585 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 137 -3.969 -5.361 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.442 -7.067 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.368 -7.680 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.662 -7.215 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.850 -4.692 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.045 -4.723 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.343 -3.547 -0.580 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.337 -5.901 -3.534 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.418 -6.741 -4.028 1.00 0.00 C ATOM 2039 C ARG A 138 -5.970 -7.582 -5.226 1.00 0.00 C ATOM 2040 O ARG A 138 -6.717 -8.436 -5.704 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.623 -5.874 -4.407 1.00 0.00 C ATOM 2042 CG ARG A 138 -8.309 -5.225 -3.209 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.754 -5.683 -3.072 1.00 0.00 C ATOM 2044 NE ARG A 138 -10.579 -5.250 -4.199 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.913 -6.031 -5.227 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -10.491 -7.288 -5.288 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -11.673 -5.549 -6.201 1.00 0.00 N ATOM 0 H ARG A 138 -5.447 -4.909 -3.745 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.705 -7.426 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -7.297 -5.094 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -8.348 -6.488 -4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.762 -5.471 -2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -8.279 -4.141 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.784 -6.770 -2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -10.172 -5.290 -2.145 1.00 0.00 H new ATOM 0 HE ARG A 138 -10.921 -4.289 -4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -9.905 -7.666 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -10.753 -7.876 -6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -12.000 -4.584 -6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -11.930 -6.144 -6.989 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.750 -7.340 -5.711 1.00 0.00 N ATOM 2062 CA ASP A 139 -4.224 -8.085 -6.852 1.00 0.00 C ATOM 2063 C ASP A 139 -3.369 -9.267 -6.398 1.00 0.00 C ATOM 2064 O ASP A 139 -2.794 -9.980 -7.221 1.00 0.00 O ATOM 2065 CB ASP A 139 -3.399 -7.166 -7.756 1.00 0.00 C ATOM 2066 CG ASP A 139 -2.395 -6.336 -6.981 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -1.323 -6.874 -6.633 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -2.681 -5.149 -6.722 1.00 0.00 O ATOM 0 H ASP A 139 -4.113 -6.639 -5.333 1.00 0.00 H new ATOM 0 HA ASP A 139 -5.074 -8.473 -7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -2.873 -7.768 -8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -4.069 -6.502 -8.302 1.00 0.00 H new ATOM 2073 N LEU A 140 -3.293 -9.475 -5.087 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.516 -10.573 -4.528 1.00 0.00 C ATOM 2075 C LEU A 140 -2.948 -10.843 -3.093 1.00 0.00 C ATOM 2076 O LEU A 140 -2.130 -10.890 -2.179 1.00 0.00 O ATOM 2077 CB LEU A 140 -1.006 -10.277 -4.602 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.492 -9.043 -3.835 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.570 -7.989 -3.664 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.057 -9.448 -2.480 1.00 0.00 C ATOM 0 H LEU A 140 -3.762 -8.895 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.706 -11.467 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.472 -11.152 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.736 -10.159 -5.651 1.00 0.00 H new ATOM 0 HG LEU A 140 0.308 -8.605 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -1.163 -7.138 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -1.916 -7.660 -4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.406 -8.411 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.415 -8.563 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.731 -9.924 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 140 0.881 -10.148 -2.616 1.00 0.00 H new ATOM 2092 N LEU A 141 -4.254 -11.011 -2.912 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.826 -11.265 -1.597 1.00 0.00 C ATOM 2094 C LEU A 141 -4.440 -12.641 -1.057 1.00 0.00 C ATOM 2095 O LEU A 141 -4.619 -12.912 0.128 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.348 -11.136 -1.647 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.946 -10.150 -0.640 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.242 -10.246 0.705 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.877 -8.730 -1.180 1.00 0.00 C ATOM 0 H LEU A 141 -4.940 -10.975 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.417 -10.517 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.639 -10.828 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.787 -12.119 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.993 -10.414 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.687 -9.535 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.349 -11.256 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.184 -10.016 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.306 -8.042 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.837 -8.461 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -7.438 -8.668 -2.112 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.925 -13.512 -1.923 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.536 -14.857 -1.502 1.00 0.00 C ATOM 2113 C TRP A 142 -2.576 -14.813 -0.314 1.00 0.00 C ATOM 2114 O TRP A 142 -1.361 -14.920 -0.473 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.912 -15.645 -2.661 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.773 -14.949 -3.343 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.844 -13.862 -4.168 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.390 -15.309 -3.271 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.587 -13.521 -4.605 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.322 -14.393 -4.067 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.316 -16.314 -2.607 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.704 -14.454 -4.216 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.689 -16.374 -2.756 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.371 -15.449 -3.554 1.00 0.00 C ATOM 0 H TRP A 142 -3.768 -13.314 -2.911 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.444 -15.371 -1.188 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.561 -16.605 -2.283 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.686 -15.856 -3.399 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.754 -13.347 -4.437 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.366 -12.745 -5.229 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.201 -17.032 -1.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.232 -13.741 -4.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.245 -17.148 -2.248 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.444 -15.522 -3.649 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.149 -14.661 0.877 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.384 -14.607 2.119 1.00 0.00 C ATOM 2137 C LEU A 143 -3.231 -15.140 3.273 1.00 0.00 C ATOM 2138 O LEU A 143 -2.761 -15.927 4.094 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.936 -13.171 2.430 1.00 0.00 C ATOM 2140 CG LEU A 143 -1.066 -12.491 1.365 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.938 -11.783 0.343 1.00 0.00 C ATOM 2142 CD2 LEU A 143 -0.106 -11.506 2.015 1.00 0.00 C ATOM 0 H LEU A 143 -4.157 -14.572 1.008 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.496 -15.227 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.825 -12.561 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.384 -13.179 3.370 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.483 -13.257 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.306 -11.305 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.591 -12.508 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.543 -11.027 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.504 -11.032 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.673 -10.744 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.540 -12.036 2.715 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.489 -14.702 3.319 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.421 -15.126 4.360 1.00 0.00 C ATOM 2156 C GLU A 144 -6.843 -15.205 3.803 1.00 0.00 C ATOM 2157 O GLU A 144 -7.037 -15.307 2.592 1.00 0.00 O ATOM 2158 CB GLU A 144 -5.367 -14.154 5.542 1.00 0.00 C ATOM 2159 CG GLU A 144 -5.348 -14.830 6.903 1.00 0.00 C ATOM 2160 CD GLU A 144 -4.286 -15.908 7.011 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -4.566 -17.059 6.616 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -3.176 -15.601 7.495 1.00 0.00 O ATOM 0 H GLU A 144 -4.886 -14.050 2.643 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.130 -16.118 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -4.478 -13.531 5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -6.229 -13.489 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -5.176 -14.079 7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -6.326 -15.269 7.099 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.835 -15.156 4.690 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.233 -15.222 4.278 1.00 0.00 C ATOM 2171 C ASP A 145 -9.704 -13.879 3.724 1.00 0.00 C ATOM 2172 O ASP A 145 -9.229 -12.823 4.141 1.00 0.00 O ATOM 2173 CB ASP A 145 -10.113 -15.637 5.458 1.00 0.00 C ATOM 2174 CG ASP A 145 -9.876 -14.780 6.687 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -8.927 -15.076 7.443 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -10.639 -13.813 6.892 1.00 0.00 O ATOM 0 H ASP A 145 -7.696 -15.071 5.697 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.318 -15.968 3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -11.161 -15.568 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -9.918 -16.681 5.703 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.640 -13.931 2.781 1.00 0.00 N ATOM 2182 CA ASP A 146 -11.179 -12.721 2.166 1.00 0.00 C ATOM 2183 C ASP A 146 -12.311 -12.140 3.007 1.00 0.00 C ATOM 2184 O ASP A 146 -12.977 -12.861 3.750 1.00 0.00 O ATOM 2185 CB ASP A 146 -11.682 -13.024 0.754 1.00 0.00 C ATOM 2186 CG ASP A 146 -10.548 -13.212 -0.236 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -9.834 -12.226 -0.515 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -10.375 -14.346 -0.731 1.00 0.00 O ATOM 0 H ASP A 146 -11.042 -14.799 2.425 1.00 0.00 H new ATOM 0 HA ASP A 146 -10.378 -11.984 2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -12.295 -13.925 0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -12.323 -12.210 0.417 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.526 -10.833 2.886 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.579 -10.161 3.638 1.00 0.00 C ATOM 2195 C ALA A 147 -14.882 -10.127 2.846 1.00 0.00 C ATOM 2196 O ALA A 147 -14.885 -9.848 1.647 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.146 -8.751 4.008 1.00 0.00 C ATOM 0 H ALA A 147 -11.986 -10.220 2.275 1.00 0.00 H new ATOM 0 HA ALA A 147 -13.755 -10.726 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -13.942 -8.261 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.245 -8.796 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -12.940 -8.184 3.100 1.00 0.00 H new ATOM 2203 N MET A 148 -15.988 -10.413 3.526 1.00 0.00 N ATOM 2204 CA MET A 148 -17.299 -10.416 2.887 1.00 0.00 C ATOM 2205 C MET A 148 -17.672 -9.018 2.404 1.00 0.00 C ATOM 2206 O MET A 148 -16.877 -8.084 2.501 1.00 0.00 O ATOM 2207 CB MET A 148 -18.361 -10.932 3.859 1.00 0.00 C ATOM 2208 CG MET A 148 -18.057 -12.314 4.416 1.00 0.00 C ATOM 2209 SD MET A 148 -17.337 -12.253 6.068 1.00 0.00 S ATOM 2210 CE MET A 148 -18.385 -13.417 6.938 1.00 0.00 C ATOM 0 H MET A 148 -16.002 -10.646 4.519 1.00 0.00 H new ATOM 0 HA MET A 148 -17.253 -11.079 2.023 1.00 0.00 H new ATOM 0 HB2 MET A 148 -18.456 -10.229 4.686 1.00 0.00 H new ATOM 0 HB3 MET A 148 -19.325 -10.958 3.350 1.00 0.00 H new ATOM 0 HG2 MET A 148 -18.976 -12.900 4.446 1.00 0.00 H new ATOM 0 HG3 MET A 148 -17.371 -12.830 3.744 1.00 0.00 H new ATOM 0 HE1 MET A 148 -18.064 -13.489 7.977 1.00 0.00 H new ATOM 0 HE2 MET A 148 -19.419 -13.074 6.901 1.00 0.00 H new ATOM 0 HE3 MET A 148 -18.310 -14.397 6.466 1.00 0.00 H new ATOM 2220 N GLU A 149 -18.887 -8.883 1.881 1.00 0.00 N ATOM 2221 CA GLU A 149 -19.366 -7.600 1.382 1.00 0.00 C ATOM 2222 C GLU A 149 -20.508 -7.072 2.245 1.00 0.00 C ATOM 2223 O GLU A 149 -21.301 -7.844 2.783 1.00 0.00 O ATOM 2224 CB GLU A 149 -19.830 -7.735 -0.070 1.00 0.00 C ATOM 2225 CG GLU A 149 -20.229 -6.414 -0.707 1.00 0.00 C ATOM 2226 CD GLU A 149 -21.151 -6.596 -1.897 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -22.107 -7.393 -1.790 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -20.917 -5.941 -2.934 1.00 0.00 O ATOM 0 H GLU A 149 -19.557 -9.647 1.792 1.00 0.00 H new ATOM 0 HA GLU A 149 -18.541 -6.890 1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -19.030 -8.185 -0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -20.678 -8.419 -0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -20.722 -5.790 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -19.332 -5.882 -1.025 1.00 0.00 H new ATOM 2235 N GLN A 150 -20.585 -5.751 2.373 1.00 0.00 N ATOM 2236 CA GLN A 150 -21.629 -5.119 3.170 1.00 0.00 C ATOM 2237 C GLN A 150 -22.385 -4.078 2.350 1.00 0.00 C ATOM 2238 O GLN A 150 -21.857 -3.658 1.299 1.00 0.00 O ATOM 2239 CB GLN A 150 -21.024 -4.467 4.416 1.00 0.00 C ATOM 2240 CG GLN A 150 -21.219 -5.282 5.684 1.00 0.00 C ATOM 2241 CD GLN A 150 -21.574 -4.422 6.881 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -20.960 -4.530 7.942 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -22.571 -3.560 6.716 1.00 0.00 N ATOM 2244 OXT GLN A 150 -23.498 -3.693 2.765 1.00 0.00 O ATOM 0 H GLN A 150 -19.936 -5.098 1.934 1.00 0.00 H new ATOM 0 HA GLN A 150 -22.334 -5.891 3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -19.957 -4.313 4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -21.471 -3.483 4.554 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -22.008 -6.016 5.522 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -20.306 -5.838 5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -23.053 -3.503 5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -22.855 -2.955 7.486 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -13.836 -1.692 1.804 1.00 0.00 ZN