USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 TYR OH : rot 180:sc= -0.365 USER MOD Set 1.2: A 72 SER OG : rot -106:sc= 0.266 USER MOD Set 1.3: A 88 LYS NZ :NH3+ -170:sc= 0.212 (180deg=-0.112) USER MOD Set 2.1: A 63 HIS : no HE2:sc= -1.87 K(o=-5.6,f=-4.9) USER MOD Set 2.2: A 79 TYR OH : rot 160:sc= -3.77! USER MOD Set 3.1: A 5 SER OG : rot 180:sc= -0.706 USER MOD Set 3.2: A 14 HIS : no HE2:sc= -8.38! C(o=-12!,f=-18!) USER MOD Set 3.3: A 15 ASN : amide:sc= -2.99 K(o=-12,f=-24!) USER MOD Set 3.4: A 21 TYR OH : rot 175:sc= 0.0766 USER MOD Single : A 1 VAL N :NH3+ -155:sc= -1.27 (180deg=-2.35!) USER MOD Single : A 2 LYS NZ :NH3+ -114:sc= -0.0215 (180deg=-0.215) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 8 SER OG : rot 180:sc= 0.161 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -10.4! C(o=-10!,f=-24!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 25 SER OG : rot 126:sc= 0.997 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.208 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.61 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0942 K(o=-0.094,f=-1.2) USER MOD Single : A 33 SER OG : rot 180:sc= 0.165 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 70:sc= -6.81! USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.256 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0781 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -6.15! USER MOD Single : A 57 GLN : amide:sc= -0.098 K(o=-0.098,f=-0.63) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.65 K(o=-1.6,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00567) USER MOD Single : A 78 SER OG : rot 12:sc= 0.16 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.7! C(o=-4.7!,f=-6.7!) USER MOD Single : A 84 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.1) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -65:sc= 0.232 USER MOD Single : A 98 SER OG : rot 50:sc= -0.556 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 100 SER OG : rot -1:sc= 0.526! USER MOD Single : A 101 SER OG : rot 110:sc= 0.165 USER MOD Single : A 102 THR OG1 : rot 180:sc=-0.00972 USER MOD Single : A 104 SER OG : rot 180:sc= -2.02! USER MOD Single : A 107 ASN : amide:sc= -3.61! C(o=-3.6!,f=-1.6!) USER MOD Single : A 108 THR OG1 : rot -101:sc= -0.985! USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -13.969 2.476 -17.483 1.00 0.00 N ATOM 2 CA VAL A 1 -13.643 2.104 -16.076 1.00 0.00 C ATOM 3 C VAL A 1 -14.604 1.020 -15.580 1.00 0.00 C ATOM 4 O VAL A 1 -15.792 1.067 -15.831 1.00 0.00 O ATOM 5 CB VAL A 1 -13.823 3.394 -15.275 1.00 0.00 C ATOM 6 CG1 VAL A 1 -13.151 4.552 -16.014 1.00 0.00 C ATOM 7 CG2 VAL A 1 -15.316 3.691 -15.118 1.00 0.00 C ATOM 0 H1 VAL A 1 -13.120 2.859 -17.946 1.00 0.00 H new ATOM 0 H2 VAL A 1 -14.295 1.633 -17.998 1.00 0.00 H new ATOM 0 H3 VAL A 1 -14.720 3.196 -17.487 1.00 0.00 H new ATOM 0 HA VAL A 1 -12.635 1.701 -15.976 1.00 0.00 H new ATOM 0 HB VAL A 1 -13.368 3.277 -14.291 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -13.279 5.471 -15.443 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -12.088 4.342 -16.129 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -13.606 4.669 -16.997 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -15.446 4.610 -14.547 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -15.769 3.808 -16.102 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -15.798 2.866 -14.592 1.00 0.00 H new ATOM 19 N LYS A 2 -14.099 0.042 -14.879 1.00 0.00 N ATOM 20 CA LYS A 2 -14.984 -1.045 -14.371 1.00 0.00 C ATOM 21 C LYS A 2 -15.441 -0.742 -12.942 1.00 0.00 C ATOM 22 O LYS A 2 -14.951 0.167 -12.301 1.00 0.00 O ATOM 23 CB LYS A 2 -14.117 -2.303 -14.400 1.00 0.00 C ATOM 24 CG LYS A 2 -13.736 -2.626 -15.845 1.00 0.00 C ATOM 25 CD LYS A 2 -13.357 -4.104 -15.953 1.00 0.00 C ATOM 26 CE LYS A 2 -13.539 -4.573 -17.398 1.00 0.00 C ATOM 27 NZ LYS A 2 -15.000 -4.827 -17.538 1.00 0.00 N ATOM 0 H LYS A 2 -13.113 -0.052 -14.636 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.887 -1.154 -14.972 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.219 -2.153 -13.801 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.658 -3.141 -13.959 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.570 -2.404 -16.511 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.901 -2.001 -16.161 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.323 -4.249 -15.640 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.979 -4.700 -15.285 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.200 -3.815 -18.105 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.960 -5.475 -17.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.163 -5.843 -17.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.490 -4.524 -16.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.369 -4.292 -18.350 1.00 0.00 H new ATOM 41 N CYS A 3 -16.379 -1.498 -12.439 1.00 0.00 N ATOM 42 CA CYS A 3 -16.871 -1.257 -11.051 1.00 0.00 C ATOM 43 C CYS A 3 -16.853 -2.555 -10.247 1.00 0.00 C ATOM 44 O CYS A 3 -17.077 -3.628 -10.769 1.00 0.00 O ATOM 45 CB CYS A 3 -18.304 -0.763 -11.218 1.00 0.00 C ATOM 46 SG CYS A 3 -18.675 0.471 -9.951 1.00 0.00 S ATOM 0 H CYS A 3 -16.826 -2.273 -12.929 1.00 0.00 H new ATOM 0 HA CYS A 3 -16.248 -0.540 -10.516 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -18.437 -0.331 -12.210 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -18.999 -1.599 -11.139 1.00 0.00 H new ATOM 51 N GLN A 4 -16.596 -2.458 -8.975 1.00 0.00 N ATOM 52 CA GLN A 4 -16.571 -3.676 -8.119 1.00 0.00 C ATOM 53 C GLN A 4 -17.456 -3.459 -6.895 1.00 0.00 C ATOM 54 O GLN A 4 -18.017 -2.398 -6.702 1.00 0.00 O ATOM 55 CB GLN A 4 -15.110 -3.856 -7.696 1.00 0.00 C ATOM 56 CG GLN A 4 -14.483 -2.491 -7.394 1.00 0.00 C ATOM 57 CD GLN A 4 -13.533 -2.615 -6.203 1.00 0.00 C ATOM 58 OE1 GLN A 4 -13.966 -2.664 -5.069 1.00 0.00 O ATOM 59 NE2 GLN A 4 -12.247 -2.669 -6.413 1.00 0.00 N ATOM 0 H GLN A 4 -16.401 -1.583 -8.488 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.944 -4.555 -8.644 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -15.053 -4.495 -6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -14.552 -4.355 -8.488 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -13.942 -2.127 -8.267 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.263 -1.762 -7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.884 -2.628 -7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.605 -2.752 -5.625 1.00 0.00 H new ATOM 68 N SER A 5 -17.586 -4.450 -6.067 1.00 0.00 N ATOM 69 CA SER A 5 -18.438 -4.288 -4.857 1.00 0.00 C ATOM 70 C SER A 5 -18.068 -2.989 -4.135 1.00 0.00 C ATOM 71 O SER A 5 -16.905 -2.669 -3.985 1.00 0.00 O ATOM 72 CB SER A 5 -18.132 -5.503 -3.983 1.00 0.00 C ATOM 73 OG SER A 5 -19.347 -6.016 -3.451 1.00 0.00 O ATOM 0 H SER A 5 -17.143 -5.363 -6.172 1.00 0.00 H new ATOM 0 HA SER A 5 -19.499 -4.229 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.626 -6.270 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.457 -5.223 -3.174 1.00 0.00 H new ATOM 0 HG SER A 5 -19.155 -6.797 -2.891 1.00 0.00 H new ATOM 79 N PRO A 6 -19.080 -2.278 -3.722 1.00 0.00 N ATOM 80 CA PRO A 6 -18.876 -0.984 -3.015 1.00 0.00 C ATOM 81 C PRO A 6 -18.277 -1.205 -1.625 1.00 0.00 C ATOM 82 O PRO A 6 -18.313 -2.296 -1.098 1.00 0.00 O ATOM 83 CB PRO A 6 -20.290 -0.424 -2.898 1.00 0.00 C ATOM 84 CG PRO A 6 -21.179 -1.621 -2.950 1.00 0.00 C ATOM 85 CD PRO A 6 -20.503 -2.603 -3.870 1.00 0.00 C ATOM 0 HA PRO A 6 -18.187 -0.321 -3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -20.422 0.126 -1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -20.510 0.268 -3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -21.316 -2.048 -1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -22.169 -1.356 -3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -20.712 -3.633 -3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.838 -2.485 -4.901 1.00 0.00 H new ATOM 93 N PRO A 7 -17.756 -0.146 -1.070 1.00 0.00 N ATOM 94 CA PRO A 7 -17.164 -0.218 0.284 1.00 0.00 C ATOM 95 C PRO A 7 -18.277 -0.341 1.325 1.00 0.00 C ATOM 96 O PRO A 7 -19.443 -0.192 1.018 1.00 0.00 O ATOM 97 CB PRO A 7 -16.432 1.112 0.428 1.00 0.00 C ATOM 98 CG PRO A 7 -17.133 2.041 -0.513 1.00 0.00 C ATOM 99 CD PRO A 7 -17.668 1.200 -1.644 1.00 0.00 C ATOM 0 HA PRO A 7 -16.504 -1.074 0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.478 1.479 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.377 1.012 0.172 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.943 2.565 -0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.447 2.800 -0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.642 1.556 -1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -17.004 1.223 -2.508 1.00 0.00 H new ATOM 107 N SER A 8 -17.934 -0.610 2.550 1.00 0.00 N ATOM 108 CA SER A 8 -18.987 -0.736 3.597 1.00 0.00 C ATOM 109 C SER A 8 -19.298 0.639 4.194 1.00 0.00 C ATOM 110 O SER A 8 -18.523 1.184 4.955 1.00 0.00 O ATOM 111 CB SER A 8 -18.394 -1.664 4.656 1.00 0.00 C ATOM 112 OG SER A 8 -16.991 -1.775 4.456 1.00 0.00 O ATOM 0 H SER A 8 -16.976 -0.748 2.873 1.00 0.00 H new ATOM 0 HA SER A 8 -19.922 -1.130 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.600 -1.275 5.653 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.860 -2.648 4.595 1.00 0.00 H new ATOM 0 HG SER A 8 -16.610 -2.369 5.136 1.00 0.00 H new ATOM 118 N ILE A 9 -20.419 1.208 3.841 1.00 0.00 N ATOM 119 CA ILE A 9 -20.775 2.559 4.381 1.00 0.00 C ATOM 120 C ILE A 9 -20.567 2.618 5.884 1.00 0.00 C ATOM 121 O ILE A 9 -20.154 1.664 6.512 1.00 0.00 O ATOM 122 CB ILE A 9 -22.253 2.813 4.068 1.00 0.00 C ATOM 123 CG1 ILE A 9 -23.028 1.500 3.905 1.00 0.00 C ATOM 124 CG2 ILE A 9 -22.347 3.633 2.796 1.00 0.00 C ATOM 125 CD1 ILE A 9 -24.403 1.640 4.565 1.00 0.00 C ATOM 0 H ILE A 9 -21.104 0.800 3.204 1.00 0.00 H new ATOM 0 HA ILE A 9 -20.137 3.313 3.921 1.00 0.00 H new ATOM 0 HB ILE A 9 -22.700 3.355 4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -23.142 1.260 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -22.475 0.679 4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -23.395 3.821 2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -21.830 4.582 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -21.884 3.085 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -24.958 0.709 4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -24.277 1.860 5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -24.954 2.451 4.089 1.00 0.00 H new ATOM 137 N SER A 10 -20.852 3.744 6.466 1.00 0.00 N ATOM 138 CA SER A 10 -20.665 3.870 7.929 1.00 0.00 C ATOM 139 C SER A 10 -22.007 3.798 8.661 1.00 0.00 C ATOM 140 O SER A 10 -22.473 4.770 9.220 1.00 0.00 O ATOM 141 CB SER A 10 -20.002 5.232 8.135 1.00 0.00 C ATOM 142 OG SER A 10 -18.614 5.046 8.384 1.00 0.00 O ATOM 0 H SER A 10 -21.204 4.577 5.994 1.00 0.00 H new ATOM 0 HA SER A 10 -20.057 3.059 8.330 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.145 5.856 7.253 1.00 0.00 H new ATOM 0 HB3 SER A 10 -20.467 5.753 8.972 1.00 0.00 H new ATOM 0 HG SER A 10 -18.185 5.918 8.515 1.00 0.00 H new ATOM 148 N ASN A 11 -22.622 2.645 8.666 1.00 0.00 N ATOM 149 CA ASN A 11 -23.935 2.479 9.365 1.00 0.00 C ATOM 150 C ASN A 11 -24.609 1.186 8.901 1.00 0.00 C ATOM 151 O ASN A 11 -25.426 0.615 9.595 1.00 0.00 O ATOM 152 CB ASN A 11 -24.785 3.692 8.969 1.00 0.00 C ATOM 153 CG ASN A 11 -24.559 4.026 7.492 1.00 0.00 C ATOM 154 OD1 ASN A 11 -23.993 3.241 6.758 1.00 0.00 O ATOM 155 ND2 ASN A 11 -24.984 5.166 7.021 1.00 0.00 N ATOM 0 H ASN A 11 -22.269 1.802 8.212 1.00 0.00 H new ATOM 0 HA ASN A 11 -23.811 2.419 10.446 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -25.840 3.481 9.146 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -24.523 4.549 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -24.841 5.397 6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -25.460 5.826 7.636 1.00 0.00 H new ATOM 162 N GLY A 12 -24.271 0.721 7.728 1.00 0.00 N ATOM 163 CA GLY A 12 -24.891 -0.533 7.218 1.00 0.00 C ATOM 164 C GLY A 12 -23.871 -1.308 6.382 1.00 0.00 C ATOM 165 O GLY A 12 -22.679 -1.095 6.481 1.00 0.00 O ATOM 0 H GLY A 12 -23.593 1.156 7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -25.234 -1.146 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -25.767 -0.298 6.614 1.00 0.00 H new ATOM 169 N ARG A 13 -24.336 -2.203 5.557 1.00 0.00 N ATOM 170 CA ARG A 13 -23.405 -3.003 4.701 1.00 0.00 C ATOM 171 C ARG A 13 -23.835 -2.889 3.244 1.00 0.00 C ATOM 172 O ARG A 13 -24.746 -2.160 2.908 1.00 0.00 O ATOM 173 CB ARG A 13 -23.511 -4.468 5.178 1.00 0.00 C ATOM 174 CG ARG A 13 -24.466 -4.599 6.374 1.00 0.00 C ATOM 175 CD ARG A 13 -24.717 -6.080 6.667 1.00 0.00 C ATOM 176 NE ARG A 13 -23.365 -6.660 6.897 1.00 0.00 N ATOM 177 CZ ARG A 13 -23.204 -7.955 6.910 1.00 0.00 C ATOM 178 NH1 ARG A 13 -23.333 -8.617 8.027 1.00 0.00 N ATOM 179 NH2 ARG A 13 -22.914 -8.589 5.806 1.00 0.00 N ATOM 0 H ARG A 13 -25.325 -2.419 5.435 1.00 0.00 H new ATOM 0 HA ARG A 13 -22.379 -2.645 4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.863 -5.095 4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -22.523 -4.834 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -24.038 -4.112 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -25.408 -4.095 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -25.355 -6.207 7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.219 -6.568 5.832 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.565 -6.045 7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -23.560 -8.122 8.890 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -23.207 -9.629 8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -22.813 -8.072 4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -22.788 -9.601 5.817 1.00 0.00 H new ATOM 193 N HIS A 14 -23.181 -3.596 2.374 1.00 0.00 N ATOM 194 CA HIS A 14 -23.552 -3.522 0.934 1.00 0.00 C ATOM 195 C HIS A 14 -23.555 -4.916 0.302 1.00 0.00 C ATOM 196 O HIS A 14 -22.980 -5.851 0.825 1.00 0.00 O ATOM 197 CB HIS A 14 -22.494 -2.625 0.301 1.00 0.00 C ATOM 198 CG HIS A 14 -21.209 -3.378 0.152 1.00 0.00 C ATOM 199 ND1 HIS A 14 -20.817 -3.909 -1.060 1.00 0.00 N ATOM 200 CD2 HIS A 14 -20.195 -3.653 1.033 1.00 0.00 C ATOM 201 CE1 HIS A 14 -19.609 -4.461 -0.891 1.00 0.00 C ATOM 202 NE2 HIS A 14 -19.180 -4.340 0.370 1.00 0.00 N ATOM 0 H HIS A 14 -22.406 -4.222 2.593 1.00 0.00 H new ATOM 0 HA HIS A 14 -24.556 -3.125 0.786 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -22.836 -2.276 -0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -22.338 -1.741 0.919 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -21.351 -3.885 -1.928 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -20.185 -3.380 2.078 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -19.049 -4.945 -1.677 1.00 0.00 H new ATOM 210 N ASN A 15 -24.216 -5.059 -0.816 1.00 0.00 N ATOM 211 CA ASN A 15 -24.286 -6.387 -1.493 1.00 0.00 C ATOM 212 C ASN A 15 -22.950 -7.125 -1.391 1.00 0.00 C ATOM 213 O ASN A 15 -21.893 -6.525 -1.397 1.00 0.00 O ATOM 214 CB ASN A 15 -24.606 -6.070 -2.954 1.00 0.00 C ATOM 215 CG ASN A 15 -23.414 -5.356 -3.594 1.00 0.00 C ATOM 216 OD1 ASN A 15 -22.743 -4.574 -2.951 1.00 0.00 O ATOM 217 ND2 ASN A 15 -23.119 -5.594 -4.843 1.00 0.00 N ATOM 0 H ASN A 15 -24.714 -4.307 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 15 -25.034 -7.034 -1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -24.827 -6.989 -3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -25.495 -5.442 -3.015 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -22.326 -5.123 -5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -23.682 -6.251 -5.384 1.00 0.00 H new ATOM 224 N GLY A 16 -22.995 -8.425 -1.304 1.00 0.00 N ATOM 225 CA GLY A 16 -21.738 -9.218 -1.210 1.00 0.00 C ATOM 226 C GLY A 16 -21.857 -10.454 -2.102 1.00 0.00 C ATOM 227 O GLY A 16 -21.126 -11.414 -1.955 1.00 0.00 O ATOM 0 H GLY A 16 -23.854 -8.975 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -20.887 -8.611 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -21.558 -9.516 -0.177 1.00 0.00 H new ATOM 231 N TYR A 17 -22.778 -10.438 -3.028 1.00 0.00 N ATOM 232 CA TYR A 17 -22.949 -11.611 -3.932 1.00 0.00 C ATOM 233 C TYR A 17 -22.490 -11.259 -5.350 1.00 0.00 C ATOM 234 O TYR A 17 -22.088 -12.116 -6.111 1.00 0.00 O ATOM 235 CB TYR A 17 -24.448 -11.909 -3.912 1.00 0.00 C ATOM 236 CG TYR A 17 -24.675 -13.335 -3.469 1.00 0.00 C ATOM 237 CD1 TYR A 17 -24.195 -13.769 -2.226 1.00 0.00 C ATOM 238 CD2 TYR A 17 -25.366 -14.224 -4.301 1.00 0.00 C ATOM 239 CE1 TYR A 17 -24.408 -15.091 -1.817 1.00 0.00 C ATOM 240 CE2 TYR A 17 -25.578 -15.546 -3.891 1.00 0.00 C ATOM 241 CZ TYR A 17 -25.099 -15.979 -2.649 1.00 0.00 C ATOM 242 OH TYR A 17 -25.310 -17.282 -2.246 1.00 0.00 O ATOM 0 H TYR A 17 -23.419 -9.663 -3.197 1.00 0.00 H new ATOM 0 HA TYR A 17 -22.358 -12.469 -3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -24.957 -11.222 -3.236 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -24.873 -11.753 -4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -23.661 -13.084 -1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -25.736 -13.890 -5.259 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -24.039 -15.426 -0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -26.111 -16.232 -4.533 1.00 0.00 H new ATOM 0 HH TYR A 17 -25.806 -17.763 -2.941 1.00 0.00 H new ATOM 252 N GLU A 18 -22.544 -10.005 -5.711 1.00 0.00 N ATOM 253 CA GLU A 18 -22.107 -9.606 -7.078 1.00 0.00 C ATOM 254 C GLU A 18 -20.584 -9.471 -7.117 1.00 0.00 C ATOM 255 O GLU A 18 -19.872 -10.172 -6.425 1.00 0.00 O ATOM 256 CB GLU A 18 -22.767 -8.251 -7.323 1.00 0.00 C ATOM 257 CG GLU A 18 -24.268 -8.349 -7.045 1.00 0.00 C ATOM 258 CD GLU A 18 -24.837 -9.591 -7.734 1.00 0.00 C ATOM 259 OE1 GLU A 18 -25.073 -9.525 -8.929 1.00 0.00 O ATOM 260 OE2 GLU A 18 -25.025 -10.587 -7.056 1.00 0.00 O ATOM 0 H GLU A 18 -22.871 -9.242 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 18 -22.387 -10.338 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -22.317 -7.495 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -22.598 -7.935 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -24.447 -8.402 -5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -24.775 -7.455 -7.408 1.00 0.00 H new ATOM 267 N ASP A 19 -20.077 -8.574 -7.915 1.00 0.00 N ATOM 268 CA ASP A 19 -18.598 -8.401 -7.984 1.00 0.00 C ATOM 269 C ASP A 19 -18.229 -7.324 -9.007 1.00 0.00 C ATOM 270 O ASP A 19 -17.279 -6.590 -8.830 1.00 0.00 O ATOM 271 CB ASP A 19 -18.050 -9.764 -8.415 1.00 0.00 C ATOM 272 CG ASP A 19 -18.943 -10.359 -9.507 1.00 0.00 C ATOM 273 OD1 ASP A 19 -19.479 -9.591 -10.289 1.00 0.00 O ATOM 274 OD2 ASP A 19 -19.076 -11.571 -9.540 1.00 0.00 O ATOM 0 H ASP A 19 -20.618 -7.956 -8.520 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.182 -8.081 -7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.030 -9.656 -8.785 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.009 -10.437 -7.559 1.00 0.00 H new ATOM 279 N PHE A 20 -18.972 -7.222 -10.073 1.00 0.00 N ATOM 280 CA PHE A 20 -18.659 -6.187 -11.100 1.00 0.00 C ATOM 281 C PHE A 20 -19.886 -5.307 -11.343 1.00 0.00 C ATOM 282 O PHE A 20 -20.990 -5.794 -11.491 1.00 0.00 O ATOM 283 CB PHE A 20 -18.299 -6.974 -12.360 1.00 0.00 C ATOM 284 CG PHE A 20 -16.826 -7.304 -12.340 1.00 0.00 C ATOM 285 CD1 PHE A 20 -16.315 -8.166 -11.362 1.00 0.00 C ATOM 286 CD2 PHE A 20 -15.970 -6.746 -13.297 1.00 0.00 C ATOM 287 CE1 PHE A 20 -14.949 -8.470 -11.341 1.00 0.00 C ATOM 288 CE2 PHE A 20 -14.604 -7.050 -13.277 1.00 0.00 C ATOM 289 CZ PHE A 20 -14.093 -7.912 -12.299 1.00 0.00 C ATOM 0 H PHE A 20 -19.781 -7.808 -10.278 1.00 0.00 H new ATOM 0 HA PHE A 20 -17.849 -5.526 -10.793 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -18.888 -7.890 -12.411 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -18.540 -6.390 -13.248 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -16.975 -8.596 -10.624 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -16.364 -6.081 -14.051 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -14.555 -9.135 -10.586 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.944 -6.620 -14.016 1.00 0.00 H new ATOM 0 HZ PHE A 20 -13.039 -8.147 -12.283 1.00 0.00 H new ATOM 299 N TYR A 21 -19.710 -4.015 -11.378 1.00 0.00 N ATOM 300 CA TYR A 21 -20.878 -3.118 -11.603 1.00 0.00 C ATOM 301 C TYR A 21 -20.611 -2.142 -12.751 1.00 0.00 C ATOM 302 O TYR A 21 -21.499 -1.449 -13.207 1.00 0.00 O ATOM 303 CB TYR A 21 -21.055 -2.371 -10.289 1.00 0.00 C ATOM 304 CG TYR A 21 -22.127 -3.065 -9.495 1.00 0.00 C ATOM 305 CD1 TYR A 21 -21.942 -4.388 -9.077 1.00 0.00 C ATOM 306 CD2 TYR A 21 -23.315 -2.400 -9.197 1.00 0.00 C ATOM 307 CE1 TYR A 21 -22.946 -5.037 -8.355 1.00 0.00 C ATOM 308 CE2 TYR A 21 -24.318 -3.048 -8.479 1.00 0.00 C ATOM 309 CZ TYR A 21 -24.137 -4.368 -8.056 1.00 0.00 C ATOM 310 OH TYR A 21 -25.131 -5.009 -7.346 1.00 0.00 O ATOM 0 H TYR A 21 -18.813 -3.544 -11.261 1.00 0.00 H new ATOM 0 HA TYR A 21 -21.771 -3.676 -11.883 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -20.119 -2.356 -9.731 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -21.332 -1.333 -10.476 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -21.024 -4.906 -9.312 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -23.458 -1.380 -9.523 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -22.802 -6.056 -8.027 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -25.237 -2.529 -8.249 1.00 0.00 H new ATOM 0 HH TYR A 21 -25.855 -4.377 -7.153 1.00 0.00 H new ATOM 320 N THR A 22 -19.395 -2.085 -13.217 1.00 0.00 N ATOM 321 CA THR A 22 -19.052 -1.157 -14.333 1.00 0.00 C ATOM 322 C THR A 22 -19.798 0.174 -14.203 1.00 0.00 C ATOM 323 O THR A 22 -19.381 1.059 -13.482 1.00 0.00 O ATOM 324 CB THR A 22 -19.466 -1.894 -15.607 1.00 0.00 C ATOM 325 OG1 THR A 22 -20.874 -2.080 -15.607 1.00 0.00 O ATOM 326 CG2 THR A 22 -18.768 -3.254 -15.663 1.00 0.00 C ATOM 0 H THR A 22 -18.617 -2.646 -12.870 1.00 0.00 H new ATOM 0 HA THR A 22 -17.992 -0.905 -14.333 1.00 0.00 H new ATOM 0 HB THR A 22 -19.177 -1.306 -16.478 1.00 0.00 H new ATOM 0 HG1 THR A 22 -21.142 -2.551 -16.424 1.00 0.00 H new ATOM 0 HG21 THR A 22 -19.064 -3.778 -16.572 1.00 0.00 H new ATOM 0 HG22 THR A 22 -17.688 -3.109 -15.664 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.054 -3.846 -14.793 1.00 0.00 H new ATOM 334 N ASP A 23 -20.885 0.336 -14.905 1.00 0.00 N ATOM 335 CA ASP A 23 -21.629 1.622 -14.826 1.00 0.00 C ATOM 336 C ASP A 23 -23.120 1.394 -15.077 1.00 0.00 C ATOM 337 O ASP A 23 -23.506 0.631 -15.941 1.00 0.00 O ATOM 338 CB ASP A 23 -21.016 2.479 -15.933 1.00 0.00 C ATOM 339 CG ASP A 23 -21.727 3.833 -15.991 1.00 0.00 C ATOM 340 OD1 ASP A 23 -22.917 3.869 -15.722 1.00 0.00 O ATOM 341 OD2 ASP A 23 -21.069 4.812 -16.304 1.00 0.00 O ATOM 0 H ASP A 23 -21.288 -0.364 -15.527 1.00 0.00 H new ATOM 0 HA ASP A 23 -21.552 2.093 -13.846 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.952 2.624 -15.747 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -21.105 1.969 -16.892 1.00 0.00 H new ATOM 346 N GLY A 24 -23.961 2.050 -14.326 1.00 0.00 N ATOM 347 CA GLY A 24 -25.427 1.873 -14.518 1.00 0.00 C ATOM 348 C GLY A 24 -25.922 0.748 -13.610 1.00 0.00 C ATOM 349 O GLY A 24 -26.944 0.140 -13.856 1.00 0.00 O ATOM 0 H GLY A 24 -23.696 2.701 -13.587 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -25.951 2.800 -14.286 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -25.643 1.637 -15.560 1.00 0.00 H new ATOM 353 N SER A 25 -25.200 0.464 -12.561 1.00 0.00 N ATOM 354 CA SER A 25 -25.624 -0.626 -11.635 1.00 0.00 C ATOM 355 C SER A 25 -25.888 -0.056 -10.238 1.00 0.00 C ATOM 356 O SER A 25 -25.507 1.058 -9.935 1.00 0.00 O ATOM 357 CB SER A 25 -24.454 -1.605 -11.639 1.00 0.00 C ATOM 358 OG SER A 25 -24.229 -2.054 -12.969 1.00 0.00 O ATOM 0 H SER A 25 -24.335 0.939 -12.304 1.00 0.00 H new ATOM 0 HA SER A 25 -26.551 -1.112 -11.939 1.00 0.00 H new ATOM 0 HB2 SER A 25 -23.558 -1.122 -11.248 1.00 0.00 H new ATOM 0 HB3 SER A 25 -24.670 -2.452 -10.987 1.00 0.00 H new ATOM 0 HG SER A 25 -23.291 -1.905 -13.210 1.00 0.00 H new ATOM 364 N VAL A 26 -26.568 -0.790 -9.393 1.00 0.00 N ATOM 365 CA VAL A 26 -26.878 -0.245 -8.037 1.00 0.00 C ATOM 366 C VAL A 26 -26.732 -1.299 -6.942 1.00 0.00 C ATOM 367 O VAL A 26 -26.933 -2.479 -7.152 1.00 0.00 O ATOM 368 CB VAL A 26 -28.327 0.227 -8.149 1.00 0.00 C ATOM 369 CG1 VAL A 26 -28.926 0.411 -6.758 1.00 0.00 C ATOM 370 CG2 VAL A 26 -28.365 1.556 -8.894 1.00 0.00 C ATOM 0 H VAL A 26 -26.917 -1.730 -9.580 1.00 0.00 H new ATOM 0 HA VAL A 26 -26.189 0.552 -7.755 1.00 0.00 H new ATOM 0 HB VAL A 26 -28.907 -0.520 -8.691 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -29.959 0.748 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -28.899 -0.538 -6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -28.349 1.155 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -29.397 1.897 -8.977 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -27.781 2.296 -8.348 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -27.945 1.426 -9.891 1.00 0.00 H new ATOM 380 N VAL A 27 -26.379 -0.861 -5.764 1.00 0.00 N ATOM 381 CA VAL A 27 -26.199 -1.812 -4.634 1.00 0.00 C ATOM 382 C VAL A 27 -27.092 -1.472 -3.458 1.00 0.00 C ATOM 383 O VAL A 27 -26.910 -0.471 -2.795 1.00 0.00 O ATOM 384 CB VAL A 27 -24.741 -1.658 -4.235 1.00 0.00 C ATOM 385 CG1 VAL A 27 -24.509 -2.229 -2.833 1.00 0.00 C ATOM 386 CG2 VAL A 27 -23.906 -2.423 -5.233 1.00 0.00 C ATOM 0 H VAL A 27 -26.207 0.118 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 27 -26.462 -2.828 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 27 -24.467 -0.603 -4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -23.460 -2.111 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -25.132 -1.695 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -24.770 -3.287 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.852 -2.331 -4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -24.193 -3.474 -5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -24.069 -2.017 -6.231 1.00 0.00 H new ATOM 396 N THR A 28 -28.023 -2.322 -3.158 1.00 0.00 N ATOM 397 CA THR A 28 -28.876 -2.056 -1.986 1.00 0.00 C ATOM 398 C THR A 28 -28.029 -2.269 -0.739 1.00 0.00 C ATOM 399 O THR A 28 -27.707 -3.384 -0.379 1.00 0.00 O ATOM 400 CB THR A 28 -30.023 -3.065 -2.062 1.00 0.00 C ATOM 401 OG1 THR A 28 -29.872 -3.876 -3.220 1.00 0.00 O ATOM 402 CG2 THR A 28 -31.349 -2.308 -2.135 1.00 0.00 C ATOM 0 H THR A 28 -28.227 -3.181 -3.669 1.00 0.00 H new ATOM 0 HA THR A 28 -29.275 -1.042 -1.959 1.00 0.00 H new ATOM 0 HB THR A 28 -30.011 -3.701 -1.177 1.00 0.00 H new ATOM 0 HG1 THR A 28 -30.607 -4.522 -3.265 1.00 0.00 H new ATOM 0 HG21 THR A 28 -32.172 -3.020 -2.189 1.00 0.00 H new ATOM 0 HG22 THR A 28 -31.464 -1.688 -1.246 1.00 0.00 H new ATOM 0 HG23 THR A 28 -31.358 -1.675 -3.022 1.00 0.00 H new ATOM 410 N TYR A 29 -27.637 -1.212 -0.092 1.00 0.00 N ATOM 411 CA TYR A 29 -26.781 -1.374 1.110 1.00 0.00 C ATOM 412 C TYR A 29 -27.584 -2.035 2.230 1.00 0.00 C ATOM 413 O TYR A 29 -28.717 -1.684 2.482 1.00 0.00 O ATOM 414 CB TYR A 29 -26.385 0.047 1.529 1.00 0.00 C ATOM 415 CG TYR A 29 -25.122 0.505 0.831 1.00 0.00 C ATOM 416 CD1 TYR A 29 -24.427 -0.337 -0.051 1.00 0.00 C ATOM 417 CD2 TYR A 29 -24.646 1.799 1.076 1.00 0.00 C ATOM 418 CE1 TYR A 29 -23.262 0.118 -0.677 1.00 0.00 C ATOM 419 CE2 TYR A 29 -23.483 2.251 0.450 1.00 0.00 C ATOM 420 CZ TYR A 29 -22.789 1.412 -0.425 1.00 0.00 C ATOM 421 OH TYR A 29 -21.639 1.859 -1.042 1.00 0.00 O ATOM 0 H TYR A 29 -27.870 -0.250 -0.340 1.00 0.00 H new ATOM 0 HA TYR A 29 -25.910 -1.997 0.907 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -27.198 0.735 1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -26.237 0.080 2.608 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -24.791 -1.335 -0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -25.181 2.450 1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -22.726 -0.529 -1.356 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.120 3.250 0.642 1.00 0.00 H new ATOM 0 HH TYR A 29 -21.452 2.778 -0.758 1.00 0.00 H new ATOM 431 N SER A 30 -27.009 -2.985 2.911 1.00 0.00 N ATOM 432 CA SER A 30 -27.749 -3.648 4.017 1.00 0.00 C ATOM 433 C SER A 30 -27.833 -2.696 5.211 1.00 0.00 C ATOM 434 O SER A 30 -27.445 -1.549 5.123 1.00 0.00 O ATOM 435 CB SER A 30 -26.926 -4.887 4.363 1.00 0.00 C ATOM 436 OG SER A 30 -27.199 -5.911 3.416 1.00 0.00 O ATOM 0 H SER A 30 -26.063 -3.330 2.750 1.00 0.00 H new ATOM 0 HA SER A 30 -28.770 -3.915 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 30 -25.863 -4.645 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 30 -27.170 -5.231 5.368 1.00 0.00 H new ATOM 0 HG SER A 30 -26.671 -6.707 3.634 1.00 0.00 H new ATOM 442 N CYS A 31 -28.338 -3.150 6.324 1.00 0.00 N ATOM 443 CA CYS A 31 -28.441 -2.245 7.503 1.00 0.00 C ATOM 444 C CYS A 31 -28.447 -3.047 8.804 1.00 0.00 C ATOM 445 O CYS A 31 -29.106 -4.062 8.919 1.00 0.00 O ATOM 446 CB CYS A 31 -29.771 -1.516 7.318 1.00 0.00 C ATOM 447 SG CYS A 31 -29.631 0.170 7.955 1.00 0.00 S ATOM 0 H CYS A 31 -28.681 -4.100 6.468 1.00 0.00 H new ATOM 0 HA CYS A 31 -27.597 -1.558 7.567 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -30.042 -1.496 6.263 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -30.565 -2.049 7.841 1.00 0.00 H new ATOM 452 N ASN A 32 -27.724 -2.592 9.790 1.00 0.00 N ATOM 453 CA ASN A 32 -27.694 -3.321 11.089 1.00 0.00 C ATOM 454 C ASN A 32 -29.115 -3.725 11.489 1.00 0.00 C ATOM 455 O ASN A 32 -30.085 -3.167 11.015 1.00 0.00 O ATOM 456 CB ASN A 32 -27.115 -2.321 12.091 1.00 0.00 C ATOM 457 CG ASN A 32 -25.945 -2.964 12.837 1.00 0.00 C ATOM 458 OD1 ASN A 32 -25.960 -4.148 13.110 1.00 0.00 O ATOM 459 ND2 ASN A 32 -24.923 -2.229 13.182 1.00 0.00 N ATOM 0 H ASN A 32 -27.153 -1.748 9.752 1.00 0.00 H new ATOM 0 HA ASN A 32 -27.102 -4.235 11.043 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -26.780 -1.423 11.572 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -27.885 -2.012 12.798 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -24.138 -2.649 13.680 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -24.909 -1.235 12.953 1.00 0.00 H new ATOM 466 N SER A 33 -29.247 -4.690 12.354 1.00 0.00 N ATOM 467 CA SER A 33 -30.608 -5.128 12.777 1.00 0.00 C ATOM 468 C SER A 33 -31.292 -4.029 13.597 1.00 0.00 C ATOM 469 O SER A 33 -31.068 -3.899 14.784 1.00 0.00 O ATOM 470 CB SER A 33 -30.373 -6.367 13.637 1.00 0.00 C ATOM 471 OG SER A 33 -29.052 -6.329 14.160 1.00 0.00 O ATOM 0 H SER A 33 -28.473 -5.195 12.787 1.00 0.00 H new ATOM 0 HA SER A 33 -31.256 -5.336 11.926 1.00 0.00 H new ATOM 0 HB2 SER A 33 -31.098 -6.403 14.450 1.00 0.00 H new ATOM 0 HB3 SER A 33 -30.516 -7.269 13.043 1.00 0.00 H new ATOM 0 HG SER A 33 -28.897 -7.122 14.715 1.00 0.00 H new ATOM 477 N GLY A 34 -32.128 -3.241 12.975 1.00 0.00 N ATOM 478 CA GLY A 34 -32.826 -2.158 13.725 1.00 0.00 C ATOM 479 C GLY A 34 -32.662 -0.825 12.990 1.00 0.00 C ATOM 480 O GLY A 34 -33.424 0.100 13.191 1.00 0.00 O ATOM 0 H GLY A 34 -32.357 -3.300 11.983 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -33.884 -2.399 13.828 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -32.418 -2.080 14.733 1.00 0.00 H new ATOM 484 N TYR A 35 -31.673 -0.715 12.145 1.00 0.00 N ATOM 485 CA TYR A 35 -31.464 0.566 11.407 1.00 0.00 C ATOM 486 C TYR A 35 -32.191 0.537 10.059 1.00 0.00 C ATOM 487 O TYR A 35 -32.195 -0.460 9.366 1.00 0.00 O ATOM 488 CB TYR A 35 -29.951 0.658 11.199 1.00 0.00 C ATOM 489 CG TYR A 35 -29.333 1.437 12.335 1.00 0.00 C ATOM 490 CD1 TYR A 35 -29.935 1.427 13.599 1.00 0.00 C ATOM 491 CD2 TYR A 35 -28.159 2.168 12.124 1.00 0.00 C ATOM 492 CE1 TYR A 35 -29.362 2.150 14.652 1.00 0.00 C ATOM 493 CE2 TYR A 35 -27.587 2.892 13.177 1.00 0.00 C ATOM 494 CZ TYR A 35 -28.188 2.882 14.441 1.00 0.00 C ATOM 495 OH TYR A 35 -27.624 3.596 15.478 1.00 0.00 O ATOM 0 H TYR A 35 -31.002 -1.454 11.933 1.00 0.00 H new ATOM 0 HA TYR A 35 -31.857 1.423 11.954 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -29.518 -0.341 11.152 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -29.733 1.145 10.249 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -30.841 0.862 13.762 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -27.694 2.174 11.149 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -29.826 2.143 15.627 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -26.682 3.458 13.014 1.00 0.00 H new ATOM 0 HH TYR A 35 -26.813 4.046 15.162 1.00 0.00 H new ATOM 505 N SER A 36 -32.806 1.628 9.683 1.00 0.00 N ATOM 506 CA SER A 36 -33.530 1.667 8.381 1.00 0.00 C ATOM 507 C SER A 36 -32.609 2.153 7.265 1.00 0.00 C ATOM 508 O SER A 36 -31.771 3.011 7.465 1.00 0.00 O ATOM 509 CB SER A 36 -34.678 2.653 8.585 1.00 0.00 C ATOM 510 OG SER A 36 -35.885 2.034 8.169 1.00 0.00 O ATOM 0 H SER A 36 -32.837 2.493 10.222 1.00 0.00 H new ATOM 0 HA SER A 36 -33.886 0.679 8.090 1.00 0.00 H new ATOM 0 HB2 SER A 36 -34.744 2.945 9.633 1.00 0.00 H new ATOM 0 HB3 SER A 36 -34.502 3.563 8.011 1.00 0.00 H new ATOM 0 HG SER A 36 -36.122 1.323 8.800 1.00 0.00 H new ATOM 516 N LEU A 37 -32.767 1.619 6.086 1.00 0.00 N ATOM 517 CA LEU A 37 -31.912 2.057 4.951 1.00 0.00 C ATOM 518 C LEU A 37 -32.592 3.205 4.203 1.00 0.00 C ATOM 519 O LEU A 37 -33.631 3.034 3.597 1.00 0.00 O ATOM 520 CB LEU A 37 -31.784 0.832 4.047 1.00 0.00 C ATOM 521 CG LEU A 37 -30.907 1.183 2.846 1.00 0.00 C ATOM 522 CD1 LEU A 37 -29.486 0.677 3.088 1.00 0.00 C ATOM 523 CD2 LEU A 37 -31.477 0.523 1.588 1.00 0.00 C ATOM 0 H LEU A 37 -33.452 0.898 5.861 1.00 0.00 H new ATOM 0 HA LEU A 37 -30.938 2.417 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -31.347 0.001 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -32.769 0.509 3.711 1.00 0.00 H new ATOM 0 HG LEU A 37 -30.889 2.265 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -28.860 0.927 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -29.080 1.147 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -29.503 -0.405 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -30.852 0.773 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -31.495 -0.559 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -32.491 0.884 1.415 1.00 0.00 H new ATOM 535 N ILE A 38 -32.019 4.375 4.245 1.00 0.00 N ATOM 536 CA ILE A 38 -32.642 5.534 3.537 1.00 0.00 C ATOM 537 C ILE A 38 -31.826 5.877 2.290 1.00 0.00 C ATOM 538 O ILE A 38 -30.631 5.676 2.245 1.00 0.00 O ATOM 539 CB ILE A 38 -32.623 6.714 4.527 1.00 0.00 C ATOM 540 CG1 ILE A 38 -32.433 6.221 5.968 1.00 0.00 C ATOM 541 CG2 ILE A 38 -33.944 7.469 4.440 1.00 0.00 C ATOM 542 CD1 ILE A 38 -33.514 5.191 6.299 1.00 0.00 C ATOM 0 H ILE A 38 -31.149 4.581 4.736 1.00 0.00 H new ATOM 0 HA ILE A 38 -33.660 5.307 3.219 1.00 0.00 H new ATOM 0 HB ILE A 38 -31.790 7.366 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -31.444 5.777 6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -32.490 7.060 6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -33.932 8.304 5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -34.081 7.846 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -34.764 6.797 4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -33.381 4.840 7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -34.497 5.650 6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -33.436 4.348 5.613 1.00 0.00 H new ATOM 554 N GLY A 39 -32.458 6.390 1.274 1.00 0.00 N ATOM 555 CA GLY A 39 -31.711 6.737 0.033 1.00 0.00 C ATOM 556 C GLY A 39 -32.424 6.122 -1.170 1.00 0.00 C ATOM 557 O GLY A 39 -33.616 5.890 -1.142 1.00 0.00 O ATOM 0 H GLY A 39 -33.459 6.584 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -31.651 7.820 -0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -30.688 6.365 0.094 1.00 0.00 H new ATOM 561 N ASN A 40 -31.709 5.847 -2.226 1.00 0.00 N ATOM 562 CA ASN A 40 -32.365 5.239 -3.418 1.00 0.00 C ATOM 563 C ASN A 40 -32.273 3.719 -3.338 1.00 0.00 C ATOM 564 O ASN A 40 -31.870 3.058 -4.274 1.00 0.00 O ATOM 565 CB ASN A 40 -31.597 5.772 -4.626 1.00 0.00 C ATOM 566 CG ASN A 40 -32.589 6.270 -5.680 1.00 0.00 C ATOM 567 OD1 ASN A 40 -33.113 7.360 -5.570 1.00 0.00 O ATOM 568 ND2 ASN A 40 -32.873 5.510 -6.703 1.00 0.00 N ATOM 0 H ASN A 40 -30.707 6.015 -2.315 1.00 0.00 H new ATOM 0 HA ASN A 40 -33.423 5.492 -3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -30.936 6.583 -4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -30.967 4.987 -5.045 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.535 5.832 -7.409 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -32.433 4.594 -6.796 1.00 0.00 H new ATOM 575 N SER A 41 -32.665 3.183 -2.216 1.00 0.00 N ATOM 576 CA SER A 41 -32.640 1.701 -1.999 1.00 0.00 C ATOM 577 C SER A 41 -31.576 1.019 -2.866 1.00 0.00 C ATOM 578 O SER A 41 -31.816 -0.018 -3.451 1.00 0.00 O ATOM 579 CB SER A 41 -34.035 1.225 -2.401 1.00 0.00 C ATOM 580 OG SER A 41 -34.375 1.785 -3.663 1.00 0.00 O ATOM 0 H SER A 41 -33.010 3.719 -1.420 1.00 0.00 H new ATOM 0 HA SER A 41 -32.390 1.454 -0.967 1.00 0.00 H new ATOM 0 HB2 SER A 41 -34.059 0.137 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 41 -34.765 1.524 -1.649 1.00 0.00 H new ATOM 0 HG SER A 41 -35.269 1.481 -3.926 1.00 0.00 H new ATOM 586 N GLY A 42 -30.403 1.586 -2.960 1.00 0.00 N ATOM 587 CA GLY A 42 -29.350 0.945 -3.797 1.00 0.00 C ATOM 588 C GLY A 42 -28.371 1.990 -4.326 1.00 0.00 C ATOM 589 O GLY A 42 -28.752 2.924 -5.004 1.00 0.00 O ATOM 0 H GLY A 42 -30.131 2.455 -2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -28.813 0.201 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -29.813 0.418 -4.631 1.00 0.00 H new ATOM 593 N VAL A 43 -27.102 1.827 -4.045 1.00 0.00 N ATOM 594 CA VAL A 43 -26.108 2.811 -4.572 1.00 0.00 C ATOM 595 C VAL A 43 -26.225 2.825 -6.086 1.00 0.00 C ATOM 596 O VAL A 43 -27.028 2.113 -6.649 1.00 0.00 O ATOM 597 CB VAL A 43 -24.708 2.317 -4.193 1.00 0.00 C ATOM 598 CG1 VAL A 43 -23.768 3.518 -4.095 1.00 0.00 C ATOM 599 CG2 VAL A 43 -24.726 1.598 -2.851 1.00 0.00 C ATOM 0 H VAL A 43 -26.716 1.068 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 43 -26.284 3.807 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 43 -24.368 1.620 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -22.768 3.177 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -23.730 4.030 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -24.134 4.206 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -23.720 1.258 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -25.076 2.281 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -25.395 0.739 -2.907 1.00 0.00 H new ATOM 609 N LEU A 44 -25.429 3.595 -6.761 1.00 0.00 N ATOM 610 CA LEU A 44 -25.522 3.594 -8.242 1.00 0.00 C ATOM 611 C LEU A 44 -24.157 3.852 -8.867 1.00 0.00 C ATOM 612 O LEU A 44 -23.723 4.979 -8.997 1.00 0.00 O ATOM 613 CB LEU A 44 -26.495 4.718 -8.589 1.00 0.00 C ATOM 614 CG LEU A 44 -26.534 4.903 -10.107 1.00 0.00 C ATOM 615 CD1 LEU A 44 -27.500 3.889 -10.723 1.00 0.00 C ATOM 616 CD2 LEU A 44 -27.007 6.319 -10.438 1.00 0.00 C ATOM 0 H LEU A 44 -24.727 4.217 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.863 2.632 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -27.491 4.481 -8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -26.185 5.645 -8.106 1.00 0.00 H new ATOM 0 HG LEU A 44 -25.535 4.748 -10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -27.527 4.022 -11.804 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -27.164 2.879 -10.490 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -28.499 4.043 -10.314 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -27.034 6.450 -11.520 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -28.005 6.474 -10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -26.319 7.044 -10.002 1.00 0.00 H new ATOM 628 N CYS A 45 -23.482 2.815 -9.270 1.00 0.00 N ATOM 629 CA CYS A 45 -22.153 3.010 -9.905 1.00 0.00 C ATOM 630 C CYS A 45 -22.343 3.453 -11.354 1.00 0.00 C ATOM 631 O CYS A 45 -22.874 2.724 -12.173 1.00 0.00 O ATOM 632 CB CYS A 45 -21.463 1.651 -9.854 1.00 0.00 C ATOM 633 SG CYS A 45 -19.966 1.721 -10.868 1.00 0.00 S ATOM 0 H CYS A 45 -23.791 1.846 -9.188 1.00 0.00 H new ATOM 0 HA CYS A 45 -21.563 3.773 -9.397 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -21.211 1.394 -8.825 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.132 0.873 -10.222 1.00 0.00 H new ATOM 638 N SER A 46 -21.922 4.644 -11.673 1.00 0.00 N ATOM 639 CA SER A 46 -22.083 5.141 -13.070 1.00 0.00 C ATOM 640 C SER A 46 -20.728 5.570 -13.640 1.00 0.00 C ATOM 641 O SER A 46 -20.386 6.736 -13.643 1.00 0.00 O ATOM 642 CB SER A 46 -23.025 6.339 -12.960 1.00 0.00 C ATOM 643 OG SER A 46 -24.110 6.004 -12.104 1.00 0.00 O ATOM 0 H SER A 46 -21.474 5.295 -11.029 1.00 0.00 H new ATOM 0 HA SER A 46 -22.478 4.375 -13.737 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.489 7.203 -12.567 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.397 6.616 -13.946 1.00 0.00 H new ATOM 0 HG SER A 46 -24.716 6.770 -12.029 1.00 0.00 H new ATOM 649 N GLY A 47 -19.954 4.636 -14.119 1.00 0.00 N ATOM 650 CA GLY A 47 -18.621 4.989 -14.684 1.00 0.00 C ATOM 651 C GLY A 47 -17.562 4.847 -13.593 1.00 0.00 C ATOM 652 O GLY A 47 -16.851 5.780 -13.277 1.00 0.00 O ATOM 0 H GLY A 47 -20.187 3.643 -14.144 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.384 4.337 -15.525 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.633 6.010 -15.066 1.00 0.00 H new ATOM 656 N GLY A 48 -17.456 3.685 -13.007 1.00 0.00 N ATOM 657 CA GLY A 48 -16.448 3.486 -11.929 1.00 0.00 C ATOM 658 C GLY A 48 -16.607 4.590 -10.883 1.00 0.00 C ATOM 659 O GLY A 48 -15.687 4.905 -10.154 1.00 0.00 O ATOM 0 H GLY A 48 -18.023 2.867 -13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -16.581 2.508 -11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.442 3.507 -12.347 1.00 0.00 H new ATOM 663 N GLU A 49 -17.769 5.184 -10.805 1.00 0.00 N ATOM 664 CA GLU A 49 -17.985 6.272 -9.807 1.00 0.00 C ATOM 665 C GLU A 49 -19.203 5.971 -8.936 1.00 0.00 C ATOM 666 O GLU A 49 -20.283 6.476 -9.170 1.00 0.00 O ATOM 667 CB GLU A 49 -18.241 7.529 -10.634 1.00 0.00 C ATOM 668 CG GLU A 49 -17.595 8.733 -9.948 1.00 0.00 C ATOM 669 CD GLU A 49 -18.298 10.014 -10.400 1.00 0.00 C ATOM 670 OE1 GLU A 49 -19.266 10.393 -9.761 1.00 0.00 O ATOM 671 OE2 GLU A 49 -17.858 10.595 -11.379 1.00 0.00 O ATOM 0 H GLU A 49 -18.576 4.963 -11.388 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.130 6.379 -9.140 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -17.832 7.406 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -19.313 7.692 -10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.665 8.629 -8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.535 8.781 -10.195 1.00 0.00 H new ATOM 678 N TRP A 50 -19.041 5.166 -7.927 1.00 0.00 N ATOM 679 CA TRP A 50 -20.195 4.859 -7.041 1.00 0.00 C ATOM 680 C TRP A 50 -20.794 6.168 -6.526 1.00 0.00 C ATOM 681 O TRP A 50 -20.092 7.019 -6.018 1.00 0.00 O ATOM 682 CB TRP A 50 -19.601 4.054 -5.887 1.00 0.00 C ATOM 683 CG TRP A 50 -19.436 2.630 -6.299 1.00 0.00 C ATOM 684 CD1 TRP A 50 -18.253 2.017 -6.530 1.00 0.00 C ATOM 685 CD2 TRP A 50 -20.466 1.633 -6.527 1.00 0.00 C ATOM 686 NE1 TRP A 50 -18.494 0.701 -6.883 1.00 0.00 N ATOM 687 CE2 TRP A 50 -19.844 0.416 -6.895 1.00 0.00 C ATOM 688 CE3 TRP A 50 -21.869 1.668 -6.449 1.00 0.00 C ATOM 689 CZ2 TRP A 50 -20.590 -0.729 -7.174 1.00 0.00 C ATOM 690 CZ3 TRP A 50 -22.623 0.520 -6.727 1.00 0.00 C ATOM 691 CH2 TRP A 50 -21.984 -0.675 -7.089 1.00 0.00 C ATOM 0 H TRP A 50 -18.164 4.709 -7.678 1.00 0.00 H new ATOM 0 HA TRP A 50 -20.987 4.310 -7.550 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -18.637 4.473 -5.597 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -20.251 4.117 -5.014 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -17.280 2.479 -6.452 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -17.764 0.025 -7.107 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -22.369 2.585 -6.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -20.096 -1.648 -7.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -23.700 0.556 -6.662 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -22.571 -1.556 -7.303 1.00 0.00 H new ATOM 702 N SER A 51 -22.077 6.351 -6.661 1.00 0.00 N ATOM 703 CA SER A 51 -22.684 7.625 -6.181 1.00 0.00 C ATOM 704 C SER A 51 -24.118 7.411 -5.684 1.00 0.00 C ATOM 705 O SER A 51 -24.794 6.475 -6.067 1.00 0.00 O ATOM 706 CB SER A 51 -22.676 8.544 -7.402 1.00 0.00 C ATOM 707 OG SER A 51 -23.984 8.603 -7.957 1.00 0.00 O ATOM 0 H SER A 51 -22.726 5.683 -7.078 1.00 0.00 H new ATOM 0 HA SER A 51 -22.131 8.040 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 51 -22.344 9.543 -7.117 1.00 0.00 H new ATOM 0 HB3 SER A 51 -21.970 8.174 -8.145 1.00 0.00 H new ATOM 0 HG SER A 51 -23.981 9.193 -8.739 1.00 0.00 H new ATOM 713 N ASP A 52 -24.581 8.295 -4.840 1.00 0.00 N ATOM 714 CA ASP A 52 -25.970 8.193 -4.306 1.00 0.00 C ATOM 715 C ASP A 52 -26.134 6.963 -3.413 1.00 0.00 C ATOM 716 O ASP A 52 -26.875 6.054 -3.728 1.00 0.00 O ATOM 717 CB ASP A 52 -26.865 8.090 -5.542 1.00 0.00 C ATOM 718 CG ASP A 52 -28.193 8.802 -5.274 1.00 0.00 C ATOM 719 OD1 ASP A 52 -28.624 8.799 -4.132 1.00 0.00 O ATOM 720 OD2 ASP A 52 -28.755 9.337 -6.214 1.00 0.00 O ATOM 0 H ASP A 52 -24.048 9.093 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 52 -26.225 9.051 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -26.368 8.538 -6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -27.045 7.043 -5.787 1.00 0.00 H new ATOM 725 N PRO A 53 -25.440 6.997 -2.314 1.00 0.00 N ATOM 726 CA PRO A 53 -25.496 5.904 -1.328 1.00 0.00 C ATOM 727 C PRO A 53 -26.582 6.192 -0.289 1.00 0.00 C ATOM 728 O PRO A 53 -26.760 7.320 0.125 1.00 0.00 O ATOM 729 CB PRO A 53 -24.119 5.960 -0.682 1.00 0.00 C ATOM 730 CG PRO A 53 -23.643 7.379 -0.864 1.00 0.00 C ATOM 731 CD PRO A 53 -24.531 8.052 -1.892 1.00 0.00 C ATOM 0 HA PRO A 53 -25.730 4.933 -1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -24.171 5.696 0.374 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.436 5.254 -1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -23.683 7.917 0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -22.604 7.391 -1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -25.071 8.896 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -23.950 8.438 -2.730 1.00 0.00 H new ATOM 739 N PRO A 54 -27.269 5.158 0.103 1.00 0.00 N ATOM 740 CA PRO A 54 -28.343 5.301 1.110 1.00 0.00 C ATOM 741 C PRO A 54 -27.747 5.363 2.516 1.00 0.00 C ATOM 742 O PRO A 54 -26.546 5.322 2.697 1.00 0.00 O ATOM 743 CB PRO A 54 -29.176 4.040 0.921 1.00 0.00 C ATOM 744 CG PRO A 54 -28.240 3.029 0.331 1.00 0.00 C ATOM 745 CD PRO A 54 -27.116 3.774 -0.351 1.00 0.00 C ATOM 0 HA PRO A 54 -28.930 6.212 0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -29.583 3.692 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -30.023 4.224 0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -27.846 2.375 1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -28.765 2.395 -0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -26.143 3.369 -0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -27.191 3.701 -1.436 1.00 0.00 H new ATOM 753 N THR A 55 -28.578 5.475 3.509 1.00 0.00 N ATOM 754 CA THR A 55 -28.066 5.557 4.906 1.00 0.00 C ATOM 755 C THR A 55 -28.557 4.383 5.739 1.00 0.00 C ATOM 756 O THR A 55 -29.175 3.460 5.248 1.00 0.00 O ATOM 757 CB THR A 55 -28.658 6.850 5.466 1.00 0.00 C ATOM 758 OG1 THR A 55 -30.019 6.938 5.092 1.00 0.00 O ATOM 759 CG2 THR A 55 -27.903 8.048 4.901 1.00 0.00 C ATOM 0 H THR A 55 -29.593 5.514 3.416 1.00 0.00 H new ATOM 0 HA THR A 55 -26.976 5.537 4.930 1.00 0.00 H new ATOM 0 HB THR A 55 -28.571 6.848 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 55 -30.404 7.765 5.450 1.00 0.00 H new ATOM 0 HG21 THR A 55 -28.328 8.968 5.302 1.00 0.00 H new ATOM 0 HG22 THR A 55 -26.852 7.981 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 55 -27.989 8.053 3.814 1.00 0.00 H new ATOM 767 N CYS A 56 -28.297 4.440 7.009 1.00 0.00 N ATOM 768 CA CYS A 56 -28.749 3.367 7.926 1.00 0.00 C ATOM 769 C CYS A 56 -29.046 3.991 9.280 1.00 0.00 C ATOM 770 O CYS A 56 -28.248 3.950 10.194 1.00 0.00 O ATOM 771 CB CYS A 56 -27.583 2.384 8.008 1.00 0.00 C ATOM 772 SG CYS A 56 -27.983 0.904 7.049 1.00 0.00 S ATOM 0 H CYS A 56 -27.782 5.197 7.458 1.00 0.00 H new ATOM 0 HA CYS A 56 -29.653 2.859 7.589 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -26.674 2.847 7.623 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -27.389 2.117 9.047 1.00 0.00 H new ATOM 777 N GLN A 57 -30.189 4.597 9.394 1.00 0.00 N ATOM 778 CA GLN A 57 -30.558 5.265 10.668 1.00 0.00 C ATOM 779 C GLN A 57 -31.739 4.539 11.317 1.00 0.00 C ATOM 780 O GLN A 57 -31.935 3.361 11.116 1.00 0.00 O ATOM 781 CB GLN A 57 -30.954 6.707 10.292 1.00 0.00 C ATOM 782 CG GLN A 57 -30.829 6.953 8.781 1.00 0.00 C ATOM 783 CD GLN A 57 -30.902 8.455 8.500 1.00 0.00 C ATOM 784 OE1 GLN A 57 -30.098 8.986 7.758 1.00 0.00 O ATOM 785 NE2 GLN A 57 -31.838 9.168 9.064 1.00 0.00 N ATOM 0 H GLN A 57 -30.889 4.659 8.655 1.00 0.00 H new ATOM 0 HA GLN A 57 -29.735 5.253 11.383 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -31.980 6.897 10.608 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -30.319 7.411 10.829 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -29.886 6.549 8.413 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -31.627 6.434 8.250 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -32.513 8.723 9.686 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -31.895 10.170 8.882 1.00 0.00 H new ATOM 794 N ILE A 58 -32.531 5.235 12.083 1.00 0.00 N ATOM 795 CA ILE A 58 -33.709 4.587 12.728 1.00 0.00 C ATOM 796 C ILE A 58 -34.973 5.285 12.223 1.00 0.00 C ATOM 797 O ILE A 58 -35.064 6.497 12.238 1.00 0.00 O ATOM 798 CB ILE A 58 -33.545 4.782 14.247 1.00 0.00 C ATOM 799 CG1 ILE A 58 -32.110 5.203 14.599 1.00 0.00 C ATOM 800 CG2 ILE A 58 -33.856 3.464 14.953 1.00 0.00 C ATOM 801 CD1 ILE A 58 -31.978 6.721 14.477 1.00 0.00 C ATOM 0 H ILE A 58 -32.414 6.227 12.291 1.00 0.00 H new ATOM 0 HA ILE A 58 -33.782 3.525 12.495 1.00 0.00 H new ATOM 0 HB ILE A 58 -34.229 5.567 14.570 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -31.866 4.887 15.613 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -31.402 4.711 13.932 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -33.742 3.592 16.029 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -34.880 3.164 14.729 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -33.168 2.694 14.605 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -30.960 7.019 14.727 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -32.205 7.025 13.455 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -32.675 7.203 15.162 1.00 0.00 H new ATOM 813 N VAL A 59 -35.935 4.547 11.742 1.00 0.00 N ATOM 814 CA VAL A 59 -37.160 5.208 11.205 1.00 0.00 C ATOM 815 C VAL A 59 -38.411 4.778 11.934 1.00 0.00 C ATOM 816 O VAL A 59 -39.410 4.461 11.322 1.00 0.00 O ATOM 817 CB VAL A 59 -37.266 4.729 9.773 1.00 0.00 C ATOM 818 CG1 VAL A 59 -36.001 5.097 8.997 1.00 0.00 C ATOM 819 CG2 VAL A 59 -37.447 3.213 9.798 1.00 0.00 C ATOM 0 H VAL A 59 -35.929 3.528 11.697 1.00 0.00 H new ATOM 0 HA VAL A 59 -37.080 6.290 11.312 1.00 0.00 H new ATOM 0 HB VAL A 59 -38.114 5.203 9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -36.090 4.747 7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -35.873 6.179 9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -35.137 4.627 9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -37.526 2.839 8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -36.589 2.752 10.287 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -38.355 2.964 10.347 1.00 0.00 H new ATOM 829 N LYS A 60 -38.403 4.787 13.212 1.00 0.00 N ATOM 830 CA LYS A 60 -39.649 4.388 13.909 1.00 0.00 C ATOM 831 C LYS A 60 -40.744 5.371 13.495 1.00 0.00 C ATOM 832 O LYS A 60 -40.458 6.411 12.942 1.00 0.00 O ATOM 833 CB LYS A 60 -39.346 4.478 15.405 1.00 0.00 C ATOM 834 CG LYS A 60 -38.925 3.101 15.923 1.00 0.00 C ATOM 835 CD LYS A 60 -37.397 3.013 15.960 1.00 0.00 C ATOM 836 CE LYS A 60 -36.951 1.646 15.433 1.00 0.00 C ATOM 837 NZ LYS A 60 -36.719 0.817 16.649 1.00 0.00 N ATOM 0 H LYS A 60 -37.615 5.045 13.806 1.00 0.00 H new ATOM 0 HA LYS A 60 -39.984 3.380 13.663 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -38.553 5.204 15.583 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -40.226 4.828 15.945 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -39.333 2.936 16.920 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -39.329 2.320 15.279 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -36.962 3.808 15.354 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -37.038 3.156 16.979 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -37.714 1.202 14.793 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -36.044 1.731 14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -36.410 -0.135 16.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -35.983 1.260 17.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -37.601 0.747 17.195 1.00 0.00 H new ATOM 851 N CYS A 61 -41.989 5.059 13.718 1.00 0.00 N ATOM 852 CA CYS A 61 -43.057 6.005 13.284 1.00 0.00 C ATOM 853 C CYS A 61 -44.075 6.255 14.392 1.00 0.00 C ATOM 854 O CYS A 61 -44.186 5.492 15.331 1.00 0.00 O ATOM 855 CB CYS A 61 -43.722 5.321 12.092 1.00 0.00 C ATOM 856 SG CYS A 61 -42.450 4.830 10.906 1.00 0.00 S ATOM 0 H CYS A 61 -42.312 4.205 14.174 1.00 0.00 H new ATOM 0 HA CYS A 61 -42.645 6.982 13.032 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -44.283 4.448 12.425 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -44.435 5.997 11.620 1.00 0.00 H new ATOM 861 N PRO A 62 -44.791 7.331 14.225 1.00 0.00 N ATOM 862 CA PRO A 62 -45.833 7.722 15.199 1.00 0.00 C ATOM 863 C PRO A 62 -47.071 6.842 15.031 1.00 0.00 C ATOM 864 O PRO A 62 -47.250 5.856 15.719 1.00 0.00 O ATOM 865 CB PRO A 62 -46.142 9.172 14.827 1.00 0.00 C ATOM 866 CG PRO A 62 -45.756 9.307 13.387 1.00 0.00 C ATOM 867 CD PRO A 62 -44.690 8.279 13.108 1.00 0.00 C ATOM 0 HA PRO A 62 -45.518 7.611 16.236 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -47.198 9.398 14.973 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -45.579 9.866 15.451 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -46.620 9.149 12.742 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -45.384 10.311 13.182 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -44.857 7.784 12.151 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -43.701 8.735 13.063 1.00 0.00 H new ATOM 875 N HIS A 63 -47.927 7.201 14.121 1.00 0.00 N ATOM 876 CA HIS A 63 -49.164 6.411 13.890 1.00 0.00 C ATOM 877 C HIS A 63 -49.971 7.060 12.769 1.00 0.00 C ATOM 878 O HIS A 63 -50.238 8.244 12.807 1.00 0.00 O ATOM 879 CB HIS A 63 -49.933 6.500 15.200 1.00 0.00 C ATOM 880 CG HIS A 63 -50.124 5.128 15.783 1.00 0.00 C ATOM 881 ND1 HIS A 63 -50.396 4.930 17.128 1.00 0.00 N ATOM 882 CD2 HIS A 63 -50.102 3.878 15.217 1.00 0.00 C ATOM 883 CE1 HIS A 63 -50.527 3.606 17.324 1.00 0.00 C ATOM 884 NE2 HIS A 63 -50.357 2.918 16.192 1.00 0.00 N ATOM 0 H HIS A 63 -47.821 8.018 13.520 1.00 0.00 H new ATOM 0 HA HIS A 63 -48.959 5.379 13.604 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -49.392 7.131 15.905 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -50.902 6.969 15.030 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -50.481 5.656 17.839 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -49.915 3.671 14.174 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -50.743 3.154 18.281 1.00 0.00 H new ATOM 892 N PRO A 64 -50.333 6.269 11.805 1.00 0.00 N ATOM 893 CA PRO A 64 -51.112 6.794 10.669 1.00 0.00 C ATOM 894 C PRO A 64 -52.572 6.962 11.079 1.00 0.00 C ATOM 895 O PRO A 64 -53.448 6.272 10.597 1.00 0.00 O ATOM 896 CB PRO A 64 -50.970 5.715 9.612 1.00 0.00 C ATOM 897 CG PRO A 64 -50.702 4.452 10.370 1.00 0.00 C ATOM 898 CD PRO A 64 -50.055 4.836 11.677 1.00 0.00 C ATOM 0 HA PRO A 64 -50.771 7.769 10.320 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -51.877 5.629 9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -50.155 5.942 8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -51.629 3.907 10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -50.049 3.793 9.798 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -50.475 4.272 12.510 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -48.983 4.637 11.665 1.00 0.00 H new ATOM 906 N THR A 65 -52.839 7.871 11.970 1.00 0.00 N ATOM 907 CA THR A 65 -54.243 8.079 12.417 1.00 0.00 C ATOM 908 C THR A 65 -54.951 9.065 11.490 1.00 0.00 C ATOM 909 O THR A 65 -54.355 9.629 10.594 1.00 0.00 O ATOM 910 CB THR A 65 -54.137 8.654 13.830 1.00 0.00 C ATOM 911 OG1 THR A 65 -52.805 9.090 14.067 1.00 0.00 O ATOM 912 CG2 THR A 65 -54.514 7.576 14.845 1.00 0.00 C ATOM 0 H THR A 65 -52.147 8.479 12.409 1.00 0.00 H new ATOM 0 HA THR A 65 -54.819 7.154 12.399 1.00 0.00 H new ATOM 0 HB THR A 65 -54.816 9.501 13.932 1.00 0.00 H new ATOM 0 HG1 THR A 65 -52.738 9.460 14.972 1.00 0.00 H new ATOM 0 HG21 THR A 65 -54.439 7.983 15.853 1.00 0.00 H new ATOM 0 HG22 THR A 65 -55.536 7.246 14.662 1.00 0.00 H new ATOM 0 HG23 THR A 65 -53.836 6.729 14.745 1.00 0.00 H new ATOM 920 N ILE A 66 -56.220 9.278 11.697 1.00 0.00 N ATOM 921 CA ILE A 66 -56.962 10.229 10.823 1.00 0.00 C ATOM 922 C ILE A 66 -58.356 10.500 11.399 1.00 0.00 C ATOM 923 O ILE A 66 -58.828 9.801 12.273 1.00 0.00 O ATOM 924 CB ILE A 66 -57.035 9.554 9.436 1.00 0.00 C ATOM 925 CG1 ILE A 66 -58.325 9.951 8.710 1.00 0.00 C ATOM 926 CG2 ILE A 66 -56.984 8.030 9.567 1.00 0.00 C ATOM 927 CD1 ILE A 66 -58.276 9.416 7.280 1.00 0.00 C ATOM 0 H ILE A 66 -56.774 8.837 12.431 1.00 0.00 H new ATOM 0 HA ILE A 66 -56.467 11.198 10.754 1.00 0.00 H new ATOM 0 HB ILE A 66 -56.174 9.893 8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -59.191 9.547 9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -58.434 11.035 8.703 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -57.037 7.578 8.577 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -56.052 7.737 10.050 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -57.827 7.688 10.168 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -59.190 9.694 6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -57.417 9.842 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -58.186 8.330 7.301 1.00 0.00 H new ATOM 939 N SER A 67 -59.010 11.521 10.916 1.00 0.00 N ATOM 940 CA SER A 67 -60.368 11.856 11.433 1.00 0.00 C ATOM 941 C SER A 67 -61.409 10.867 10.902 1.00 0.00 C ATOM 942 O SER A 67 -61.795 10.912 9.751 1.00 0.00 O ATOM 943 CB SER A 67 -60.652 13.264 10.912 1.00 0.00 C ATOM 944 OG SER A 67 -59.577 14.124 11.270 1.00 0.00 O ATOM 0 H SER A 67 -58.662 12.139 10.184 1.00 0.00 H new ATOM 0 HA SER A 67 -60.415 11.803 12.521 1.00 0.00 H new ATOM 0 HB2 SER A 67 -60.773 13.246 9.829 1.00 0.00 H new ATOM 0 HB3 SER A 67 -61.586 13.637 11.331 1.00 0.00 H new ATOM 0 HG SER A 67 -59.756 15.028 10.936 1.00 0.00 H new ATOM 950 N ASN A 68 -61.873 9.979 11.740 1.00 0.00 N ATOM 951 CA ASN A 68 -62.897 8.988 11.297 1.00 0.00 C ATOM 952 C ASN A 68 -62.567 8.456 9.900 1.00 0.00 C ATOM 953 O ASN A 68 -63.437 8.285 9.070 1.00 0.00 O ATOM 954 CB ASN A 68 -64.213 9.767 11.271 1.00 0.00 C ATOM 955 CG ASN A 68 -64.857 9.732 12.658 1.00 0.00 C ATOM 956 OD1 ASN A 68 -64.526 10.528 13.515 1.00 0.00 O ATOM 957 ND2 ASN A 68 -65.770 8.837 12.917 1.00 0.00 N ATOM 0 H ASN A 68 -61.586 9.897 12.715 1.00 0.00 H new ATOM 0 HA ASN A 68 -62.940 8.123 11.959 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -64.031 10.798 10.969 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -64.889 9.334 10.534 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -66.206 8.805 13.839 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -66.048 8.169 12.198 1.00 0.00 H new ATOM 964 N GLY A 69 -61.318 8.188 9.633 1.00 0.00 N ATOM 965 CA GLY A 69 -60.942 7.664 8.288 1.00 0.00 C ATOM 966 C GLY A 69 -59.701 6.778 8.412 1.00 0.00 C ATOM 967 O GLY A 69 -58.875 6.726 7.525 1.00 0.00 O ATOM 0 H GLY A 69 -60.543 8.309 10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -61.768 7.093 7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -60.744 8.491 7.606 1.00 0.00 H new ATOM 971 N TYR A 70 -59.566 6.100 9.519 1.00 0.00 N ATOM 972 CA TYR A 70 -58.382 5.215 9.743 1.00 0.00 C ATOM 973 C TYR A 70 -58.044 4.374 8.529 1.00 0.00 C ATOM 974 O TYR A 70 -58.617 4.491 7.470 1.00 0.00 O ATOM 975 CB TYR A 70 -58.766 4.281 10.889 1.00 0.00 C ATOM 976 CG TYR A 70 -59.791 3.270 10.410 1.00 0.00 C ATOM 977 CD1 TYR A 70 -61.068 3.691 10.015 1.00 0.00 C ATOM 978 CD2 TYR A 70 -59.459 1.908 10.360 1.00 0.00 C ATOM 979 CE1 TYR A 70 -62.009 2.754 9.572 1.00 0.00 C ATOM 980 CE2 TYR A 70 -60.403 0.973 9.917 1.00 0.00 C ATOM 981 CZ TYR A 70 -61.677 1.396 9.523 1.00 0.00 C ATOM 982 OH TYR A 70 -62.606 0.473 9.085 1.00 0.00 O ATOM 0 H TYR A 70 -60.234 6.121 10.290 1.00 0.00 H new ATOM 0 HA TYR A 70 -57.507 5.828 9.957 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -57.881 3.766 11.262 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -59.172 4.858 11.720 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -61.326 4.739 10.052 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -58.476 1.580 10.663 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -62.993 3.080 9.268 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -60.147 -0.076 9.880 1.00 0.00 H new ATOM 0 HH TYR A 70 -62.213 -0.424 9.112 1.00 0.00 H new ATOM 992 N LEU A 71 -57.111 3.501 8.713 1.00 0.00 N ATOM 993 CA LEU A 71 -56.693 2.602 7.603 1.00 0.00 C ATOM 994 C LEU A 71 -57.113 1.159 7.898 1.00 0.00 C ATOM 995 O LEU A 71 -57.422 0.806 9.018 1.00 0.00 O ATOM 996 CB LEU A 71 -55.160 2.757 7.480 1.00 0.00 C ATOM 997 CG LEU A 71 -54.433 2.630 8.834 1.00 0.00 C ATOM 998 CD1 LEU A 71 -54.450 3.974 9.556 1.00 0.00 C ATOM 999 CD2 LEU A 71 -55.080 1.560 9.722 1.00 0.00 C ATOM 0 H LEU A 71 -56.610 3.364 9.591 1.00 0.00 H new ATOM 0 HA LEU A 71 -57.173 2.863 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -54.777 2.000 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -54.932 3.728 7.041 1.00 0.00 H new ATOM 0 HG LEU A 71 -53.405 2.328 8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -53.935 3.880 10.512 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -53.945 4.722 8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -55.481 4.282 9.728 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -54.542 1.498 10.668 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -56.120 1.826 9.913 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -55.039 0.595 9.217 1.00 0.00 H new ATOM 1011 N SER A 72 -57.145 0.324 6.900 1.00 0.00 N ATOM 1012 CA SER A 72 -57.560 -1.087 7.133 1.00 0.00 C ATOM 1013 C SER A 72 -56.787 -2.024 6.200 1.00 0.00 C ATOM 1014 O SER A 72 -57.198 -3.139 5.943 1.00 0.00 O ATOM 1015 CB SER A 72 -59.053 -1.120 6.806 1.00 0.00 C ATOM 1016 OG SER A 72 -59.782 -1.458 7.979 1.00 0.00 O ATOM 0 H SER A 72 -56.903 0.555 5.936 1.00 0.00 H new ATOM 0 HA SER A 72 -57.359 -1.414 8.153 1.00 0.00 H new ATOM 0 HB2 SER A 72 -59.376 -0.150 6.430 1.00 0.00 H new ATOM 0 HB3 SER A 72 -59.249 -1.848 6.019 1.00 0.00 H new ATOM 0 HG SER A 72 -60.104 -2.381 7.909 1.00 0.00 H new ATOM 1022 N SER A 73 -55.674 -1.576 5.683 1.00 0.00 N ATOM 1023 CA SER A 73 -54.879 -2.437 4.758 1.00 0.00 C ATOM 1024 C SER A 73 -53.663 -3.024 5.477 1.00 0.00 C ATOM 1025 O SER A 73 -53.574 -4.215 5.700 1.00 0.00 O ATOM 1026 CB SER A 73 -54.433 -1.501 3.635 1.00 0.00 C ATOM 1027 OG SER A 73 -53.546 -2.196 2.768 1.00 0.00 O ATOM 0 H SER A 73 -55.281 -0.652 5.861 1.00 0.00 H new ATOM 0 HA SER A 73 -55.460 -3.281 4.386 1.00 0.00 H new ATOM 0 HB2 SER A 73 -55.299 -1.144 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 73 -53.939 -0.624 4.052 1.00 0.00 H new ATOM 0 HG SER A 73 -53.260 -1.599 2.046 1.00 0.00 H new ATOM 1033 N GLY A 74 -52.722 -2.196 5.834 1.00 0.00 N ATOM 1034 CA GLY A 74 -51.506 -2.701 6.531 1.00 0.00 C ATOM 1035 C GLY A 74 -51.135 -1.756 7.672 1.00 0.00 C ATOM 1036 O GLY A 74 -50.286 -0.898 7.532 1.00 0.00 O ATOM 0 H GLY A 74 -52.742 -1.189 5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -51.688 -3.703 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -50.678 -2.779 5.827 1.00 0.00 H new ATOM 1040 N PHE A 75 -51.764 -1.909 8.802 1.00 0.00 N ATOM 1041 CA PHE A 75 -51.448 -1.024 9.958 1.00 0.00 C ATOM 1042 C PHE A 75 -50.731 -1.818 11.052 1.00 0.00 C ATOM 1043 O PHE A 75 -50.738 -3.033 11.060 1.00 0.00 O ATOM 1044 CB PHE A 75 -52.805 -0.520 10.452 1.00 0.00 C ATOM 1045 CG PHE A 75 -52.668 0.043 11.849 1.00 0.00 C ATOM 1046 CD1 PHE A 75 -52.571 -0.820 12.947 1.00 0.00 C ATOM 1047 CD2 PHE A 75 -52.638 1.429 12.045 1.00 0.00 C ATOM 1048 CE1 PHE A 75 -52.445 -0.298 14.240 1.00 0.00 C ATOM 1049 CE2 PHE A 75 -52.512 1.951 13.338 1.00 0.00 C ATOM 1050 CZ PHE A 75 -52.415 1.088 14.435 1.00 0.00 C ATOM 0 H PHE A 75 -52.485 -2.610 8.976 1.00 0.00 H new ATOM 0 HA PHE A 75 -50.787 -0.202 9.683 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -53.185 0.247 9.777 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -53.529 -1.335 10.448 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -52.593 -1.889 12.797 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -52.712 2.096 11.199 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -52.371 -0.964 15.087 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -52.490 3.020 13.489 1.00 0.00 H new ATOM 0 HZ PHE A 75 -52.317 1.491 15.432 1.00 0.00 H new ATOM 1060 N LYS A 76 -50.107 -1.138 11.974 1.00 0.00 N ATOM 1061 CA LYS A 76 -49.383 -1.847 13.067 1.00 0.00 C ATOM 1062 C LYS A 76 -49.080 -0.876 14.210 1.00 0.00 C ATOM 1063 O LYS A 76 -48.956 0.315 14.005 1.00 0.00 O ATOM 1064 CB LYS A 76 -48.086 -2.333 12.422 1.00 0.00 C ATOM 1065 CG LYS A 76 -47.353 -3.270 13.383 1.00 0.00 C ATOM 1066 CD LYS A 76 -46.669 -4.383 12.588 1.00 0.00 C ATOM 1067 CE LYS A 76 -46.415 -5.583 13.503 1.00 0.00 C ATOM 1068 NZ LYS A 76 -45.196 -5.223 14.280 1.00 0.00 N ATOM 0 H LYS A 76 -50.067 -0.120 12.018 1.00 0.00 H new ATOM 0 HA LYS A 76 -49.964 -2.667 13.490 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -48.305 -2.852 11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -47.451 -1.483 12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -46.614 -2.713 13.958 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -48.056 -3.698 14.097 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -47.295 -4.680 11.746 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -45.727 -4.022 12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -47.264 -5.764 14.162 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -46.260 -6.494 12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -44.928 -6.018 14.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -44.416 -5.014 13.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -45.392 -4.385 14.864 1.00 0.00 H new ATOM 1082 N ARG A 77 -48.954 -1.371 15.410 1.00 0.00 N ATOM 1083 CA ARG A 77 -48.652 -0.465 16.554 1.00 0.00 C ATOM 1084 C ARG A 77 -47.438 0.402 16.222 1.00 0.00 C ATOM 1085 O ARG A 77 -47.297 1.507 16.707 1.00 0.00 O ATOM 1086 CB ARG A 77 -48.344 -1.392 17.730 1.00 0.00 C ATOM 1087 CG ARG A 77 -49.424 -1.230 18.799 1.00 0.00 C ATOM 1088 CD ARG A 77 -49.073 -2.087 20.017 1.00 0.00 C ATOM 1089 NE ARG A 77 -49.087 -3.489 19.517 1.00 0.00 N ATOM 1090 CZ ARG A 77 -48.837 -4.475 20.334 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -49.765 -4.899 21.149 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -47.660 -5.037 20.337 1.00 0.00 N ATOM 0 H ARG A 77 -49.046 -2.359 15.648 1.00 0.00 H new ATOM 0 HA ARG A 77 -49.478 0.209 16.779 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -48.304 -2.427 17.391 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -47.365 -1.156 18.147 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -49.507 -0.183 19.090 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -50.393 -1.528 18.399 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -48.095 -1.821 20.419 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -49.796 -1.947 20.820 1.00 0.00 H new ATOM 0 HE ARG A 77 -49.292 -3.679 18.536 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -50.685 -4.459 21.147 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -49.569 -5.670 21.788 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -46.935 -4.706 19.701 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -47.465 -5.808 20.976 1.00 0.00 H new ATOM 1106 N SER A 78 -46.561 -0.094 15.395 1.00 0.00 N ATOM 1107 CA SER A 78 -45.353 0.697 15.025 1.00 0.00 C ATOM 1108 C SER A 78 -44.974 0.442 13.564 1.00 0.00 C ATOM 1109 O SER A 78 -45.335 -0.562 12.983 1.00 0.00 O ATOM 1110 CB SER A 78 -44.252 0.196 15.957 1.00 0.00 C ATOM 1111 OG SER A 78 -44.377 0.839 17.219 1.00 0.00 O ATOM 0 H SER A 78 -46.628 -1.014 14.959 1.00 0.00 H new ATOM 0 HA SER A 78 -45.518 1.770 15.125 1.00 0.00 H new ATOM 0 HB2 SER A 78 -44.325 -0.885 16.078 1.00 0.00 H new ATOM 0 HB3 SER A 78 -43.272 0.403 15.526 1.00 0.00 H new ATOM 0 HG SER A 78 -45.240 1.300 17.267 1.00 0.00 H new ATOM 1117 N TYR A 79 -44.247 1.346 12.970 1.00 0.00 N ATOM 1118 CA TYR A 79 -43.838 1.165 11.547 1.00 0.00 C ATOM 1119 C TYR A 79 -42.330 1.424 11.408 1.00 0.00 C ATOM 1120 O TYR A 79 -41.572 1.183 12.327 1.00 0.00 O ATOM 1121 CB TYR A 79 -44.658 2.200 10.773 1.00 0.00 C ATOM 1122 CG TYR A 79 -46.094 2.174 11.246 1.00 0.00 C ATOM 1123 CD1 TYR A 79 -46.470 2.877 12.401 1.00 0.00 C ATOM 1124 CD2 TYR A 79 -47.054 1.450 10.528 1.00 0.00 C ATOM 1125 CE1 TYR A 79 -47.801 2.852 12.834 1.00 0.00 C ATOM 1126 CE2 TYR A 79 -48.384 1.427 10.962 1.00 0.00 C ATOM 1127 CZ TYR A 79 -48.757 2.128 12.114 1.00 0.00 C ATOM 1128 OH TYR A 79 -50.069 2.105 12.539 1.00 0.00 O ATOM 0 H TYR A 79 -43.917 2.205 13.409 1.00 0.00 H new ATOM 0 HA TYR A 79 -44.017 0.157 11.174 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -44.236 3.194 10.918 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -44.614 1.988 9.705 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -45.732 3.437 12.956 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -46.767 0.909 9.638 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -48.090 3.392 13.724 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -49.123 0.868 10.407 1.00 0.00 H new ATOM 0 HH TYR A 79 -50.650 1.845 11.794 1.00 0.00 H new ATOM 1138 N SER A 80 -41.879 1.906 10.278 1.00 0.00 N ATOM 1139 CA SER A 80 -40.412 2.161 10.123 1.00 0.00 C ATOM 1140 C SER A 80 -40.146 3.204 9.016 1.00 0.00 C ATOM 1141 O SER A 80 -40.414 4.374 9.188 1.00 0.00 O ATOM 1142 CB SER A 80 -39.816 0.805 9.752 1.00 0.00 C ATOM 1143 OG SER A 80 -40.319 0.403 8.484 1.00 0.00 O ATOM 0 H SER A 80 -42.453 2.132 9.465 1.00 0.00 H new ATOM 0 HA SER A 80 -39.969 2.567 11.032 1.00 0.00 H new ATOM 0 HB2 SER A 80 -38.728 0.869 9.721 1.00 0.00 H new ATOM 0 HB3 SER A 80 -40.071 0.063 10.509 1.00 0.00 H new ATOM 0 HG SER A 80 -39.937 -0.466 8.241 1.00 0.00 H new ATOM 1149 N TYR A 81 -39.610 2.806 7.883 1.00 0.00 N ATOM 1150 CA TYR A 81 -39.340 3.813 6.811 1.00 0.00 C ATOM 1151 C TYR A 81 -40.325 3.637 5.650 1.00 0.00 C ATOM 1152 O TYR A 81 -40.055 4.030 4.531 1.00 0.00 O ATOM 1153 CB TYR A 81 -37.882 3.578 6.363 1.00 0.00 C ATOM 1154 CG TYR A 81 -37.819 2.764 5.090 1.00 0.00 C ATOM 1155 CD1 TYR A 81 -38.543 1.572 4.982 1.00 0.00 C ATOM 1156 CD2 TYR A 81 -37.030 3.205 4.021 1.00 0.00 C ATOM 1157 CE1 TYR A 81 -38.478 0.820 3.804 1.00 0.00 C ATOM 1158 CE2 TYR A 81 -36.965 2.453 2.843 1.00 0.00 C ATOM 1159 CZ TYR A 81 -37.689 1.261 2.734 1.00 0.00 C ATOM 1160 OH TYR A 81 -37.624 0.519 1.574 1.00 0.00 O ATOM 0 H TYR A 81 -39.353 1.845 7.659 1.00 0.00 H new ATOM 0 HA TYR A 81 -39.472 4.834 7.170 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -37.389 4.537 6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -37.336 3.063 7.153 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -39.152 1.233 5.807 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -36.472 4.126 4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -39.036 -0.101 3.720 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -36.356 2.793 2.018 1.00 0.00 H new ATOM 0 HH TYR A 81 -37.034 0.966 0.932 1.00 0.00 H new ATOM 1170 N ASN A 82 -41.461 3.053 5.903 1.00 0.00 N ATOM 1171 CA ASN A 82 -42.449 2.861 4.807 1.00 0.00 C ATOM 1172 C ASN A 82 -43.780 2.357 5.370 1.00 0.00 C ATOM 1173 O ASN A 82 -44.594 3.133 5.827 1.00 0.00 O ATOM 1174 CB ASN A 82 -41.814 1.827 3.876 1.00 0.00 C ATOM 1175 CG ASN A 82 -42.743 1.571 2.688 1.00 0.00 C ATOM 1176 OD1 ASN A 82 -43.145 2.493 2.007 1.00 0.00 O ATOM 1177 ND2 ASN A 82 -43.102 0.348 2.406 1.00 0.00 N ATOM 0 H ASN A 82 -41.748 2.702 6.817 1.00 0.00 H new ATOM 0 HA ASN A 82 -42.671 3.790 4.282 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -40.846 2.185 3.524 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -41.633 0.898 4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -43.719 0.167 1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -42.765 -0.427 2.977 1.00 0.00 H new ATOM 1184 N ASP A 83 -44.014 1.071 5.336 1.00 0.00 N ATOM 1185 CA ASP A 83 -45.302 0.540 5.863 1.00 0.00 C ATOM 1186 C ASP A 83 -46.447 1.445 5.419 1.00 0.00 C ATOM 1187 O ASP A 83 -47.003 2.189 6.200 1.00 0.00 O ATOM 1188 CB ASP A 83 -45.155 0.560 7.384 1.00 0.00 C ATOM 1189 CG ASP A 83 -44.523 -0.752 7.854 1.00 0.00 C ATOM 1190 OD1 ASP A 83 -45.036 -1.798 7.490 1.00 0.00 O ATOM 1191 OD2 ASP A 83 -43.537 -0.689 8.569 1.00 0.00 O ATOM 0 H ASP A 83 -43.371 0.370 4.968 1.00 0.00 H new ATOM 0 HA ASP A 83 -45.521 -0.463 5.498 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -44.536 1.404 7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -46.130 0.694 7.852 1.00 0.00 H new ATOM 1196 N ASN A 84 -46.793 1.399 4.164 1.00 0.00 N ATOM 1197 CA ASN A 84 -47.892 2.278 3.672 1.00 0.00 C ATOM 1198 C ASN A 84 -49.235 1.831 4.259 1.00 0.00 C ATOM 1199 O ASN A 84 -49.532 0.655 4.329 1.00 0.00 O ATOM 1200 CB ASN A 84 -47.906 2.129 2.143 1.00 0.00 C ATOM 1201 CG ASN A 84 -47.657 0.671 1.738 1.00 0.00 C ATOM 1202 OD1 ASN A 84 -46.803 0.397 0.918 1.00 0.00 O ATOM 1203 ND2 ASN A 84 -48.367 -0.282 2.278 1.00 0.00 N ATOM 0 H ASN A 84 -46.367 0.796 3.461 1.00 0.00 H new ATOM 0 HA ASN A 84 -47.735 3.314 3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -48.866 2.462 1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -47.141 2.769 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -48.204 -1.253 2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -49.085 -0.056 2.967 1.00 0.00 H new ATOM 1210 N VAL A 85 -50.052 2.761 4.680 1.00 0.00 N ATOM 1211 CA VAL A 85 -51.375 2.384 5.256 1.00 0.00 C ATOM 1212 C VAL A 85 -52.512 2.958 4.410 1.00 0.00 C ATOM 1213 O VAL A 85 -52.642 4.157 4.259 1.00 0.00 O ATOM 1214 CB VAL A 85 -51.408 3.000 6.649 1.00 0.00 C ATOM 1215 CG1 VAL A 85 -50.418 2.270 7.558 1.00 0.00 C ATOM 1216 CG2 VAL A 85 -51.033 4.481 6.564 1.00 0.00 C ATOM 0 H VAL A 85 -49.860 3.762 4.650 1.00 0.00 H new ATOM 0 HA VAL A 85 -51.503 1.302 5.282 1.00 0.00 H new ATOM 0 HB VAL A 85 -52.412 2.905 7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -50.444 2.713 8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -50.691 1.217 7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -49.412 2.360 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -51.057 4.920 7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -50.030 4.579 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -51.744 5.000 5.922 1.00 0.00 H new ATOM 1226 N ASP A 86 -53.354 2.117 3.881 1.00 0.00 N ATOM 1227 CA ASP A 86 -54.499 2.625 3.074 1.00 0.00 C ATOM 1228 C ASP A 86 -55.574 3.132 4.033 1.00 0.00 C ATOM 1229 O ASP A 86 -55.958 2.446 4.959 1.00 0.00 O ATOM 1230 CB ASP A 86 -55.001 1.420 2.276 1.00 0.00 C ATOM 1231 CG ASP A 86 -55.508 1.888 0.911 1.00 0.00 C ATOM 1232 OD1 ASP A 86 -54.683 2.225 0.078 1.00 0.00 O ATOM 1233 OD2 ASP A 86 -56.713 1.901 0.721 1.00 0.00 O ATOM 0 H ASP A 86 -53.300 1.102 3.971 1.00 0.00 H new ATOM 0 HA ASP A 86 -54.228 3.444 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -54.198 0.695 2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -55.801 0.917 2.820 1.00 0.00 H new ATOM 1238 N PHE A 87 -56.038 4.333 3.851 1.00 0.00 N ATOM 1239 CA PHE A 87 -57.053 4.869 4.796 1.00 0.00 C ATOM 1240 C PHE A 87 -58.478 4.536 4.358 1.00 0.00 C ATOM 1241 O PHE A 87 -58.902 4.828 3.257 1.00 0.00 O ATOM 1242 CB PHE A 87 -56.800 6.370 4.836 1.00 0.00 C ATOM 1243 CG PHE A 87 -55.653 6.601 5.783 1.00 0.00 C ATOM 1244 CD1 PHE A 87 -55.839 6.386 7.152 1.00 0.00 C ATOM 1245 CD2 PHE A 87 -54.399 6.985 5.297 1.00 0.00 C ATOM 1246 CE1 PHE A 87 -54.773 6.561 8.037 1.00 0.00 C ATOM 1247 CE2 PHE A 87 -53.331 7.152 6.182 1.00 0.00 C ATOM 1248 CZ PHE A 87 -53.519 6.940 7.552 1.00 0.00 C ATOM 0 H PHE A 87 -55.762 4.962 3.097 1.00 0.00 H new ATOM 0 HA PHE A 87 -56.960 4.420 5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -56.560 6.747 3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -57.690 6.902 5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -56.807 6.085 7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -54.257 7.152 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -54.918 6.403 9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -52.361 7.445 5.809 1.00 0.00 H new ATOM 0 HZ PHE A 87 -52.693 7.070 8.236 1.00 0.00 H new ATOM 1258 N LYS A 88 -59.210 3.918 5.242 1.00 0.00 N ATOM 1259 CA LYS A 88 -60.615 3.531 4.955 1.00 0.00 C ATOM 1260 C LYS A 88 -61.573 4.541 5.587 1.00 0.00 C ATOM 1261 O LYS A 88 -61.943 4.414 6.737 1.00 0.00 O ATOM 1262 CB LYS A 88 -60.768 2.176 5.640 1.00 0.00 C ATOM 1263 CG LYS A 88 -61.660 1.267 4.793 1.00 0.00 C ATOM 1264 CD LYS A 88 -62.608 0.491 5.708 1.00 0.00 C ATOM 1265 CE LYS A 88 -62.689 -0.965 5.244 1.00 0.00 C ATOM 1266 NZ LYS A 88 -62.480 -1.772 6.478 1.00 0.00 N ATOM 0 H LYS A 88 -58.883 3.660 6.173 1.00 0.00 H new ATOM 0 HA LYS A 88 -60.836 3.497 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -59.790 1.715 5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -61.202 2.306 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -62.231 1.861 4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -61.048 0.575 4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -62.254 0.536 6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -63.599 0.945 5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -63.656 -1.182 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -61.928 -1.184 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -62.352 -2.772 6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -61.633 -1.431 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -63.309 -1.677 7.099 1.00 0.00 H new ATOM 1280 N CYS A 89 -61.981 5.540 4.857 1.00 0.00 N ATOM 1281 CA CYS A 89 -62.914 6.540 5.444 1.00 0.00 C ATOM 1282 C CYS A 89 -64.016 5.827 6.228 1.00 0.00 C ATOM 1283 O CYS A 89 -64.592 4.863 5.764 1.00 0.00 O ATOM 1284 CB CYS A 89 -63.501 7.290 4.251 1.00 0.00 C ATOM 1285 SG CYS A 89 -63.457 9.066 4.587 1.00 0.00 S ATOM 0 H CYS A 89 -61.712 5.707 3.887 1.00 0.00 H new ATOM 0 HA CYS A 89 -62.414 7.216 6.137 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -62.933 7.064 3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -64.526 6.967 4.071 1.00 0.00 H new ATOM 1290 N LYS A 90 -64.305 6.289 7.416 1.00 0.00 N ATOM 1291 CA LYS A 90 -65.367 5.633 8.237 1.00 0.00 C ATOM 1292 C LYS A 90 -66.546 5.218 7.350 1.00 0.00 C ATOM 1293 O LYS A 90 -66.753 4.052 7.077 1.00 0.00 O ATOM 1294 CB LYS A 90 -65.805 6.696 9.245 1.00 0.00 C ATOM 1295 CG LYS A 90 -65.222 6.368 10.621 1.00 0.00 C ATOM 1296 CD LYS A 90 -66.337 5.864 11.541 1.00 0.00 C ATOM 1297 CE LYS A 90 -65.731 5.363 12.855 1.00 0.00 C ATOM 1298 NZ LYS A 90 -65.826 3.878 12.782 1.00 0.00 N ATOM 0 H LYS A 90 -63.852 7.092 7.854 1.00 0.00 H new ATOM 0 HA LYS A 90 -65.006 4.729 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -65.467 7.680 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -66.893 6.734 9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -64.444 5.611 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -64.754 7.254 11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -67.049 6.665 11.739 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -66.889 5.060 11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -64.696 5.687 12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -66.277 5.752 13.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -65.430 3.462 13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -66.823 3.598 12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -65.291 3.536 11.958 1.00 0.00 H new ATOM 1312 N TYR A 91 -67.315 6.166 6.896 1.00 0.00 N ATOM 1313 CA TYR A 91 -68.479 5.837 6.020 1.00 0.00 C ATOM 1314 C TYR A 91 -69.156 7.125 5.542 1.00 0.00 C ATOM 1315 O TYR A 91 -69.222 8.104 6.258 1.00 0.00 O ATOM 1316 CB TYR A 91 -69.428 5.024 6.901 1.00 0.00 C ATOM 1317 CG TYR A 91 -70.258 4.110 6.030 1.00 0.00 C ATOM 1318 CD1 TYR A 91 -69.631 3.130 5.250 1.00 0.00 C ATOM 1319 CD2 TYR A 91 -71.651 4.243 6.000 1.00 0.00 C ATOM 1320 CE1 TYR A 91 -70.398 2.284 4.440 1.00 0.00 C ATOM 1321 CE2 TYR A 91 -72.417 3.397 5.190 1.00 0.00 C ATOM 1322 CZ TYR A 91 -71.790 2.417 4.410 1.00 0.00 C ATOM 1323 OH TYR A 91 -72.546 1.583 3.612 1.00 0.00 O ATOM 0 H TYR A 91 -67.189 7.159 7.093 1.00 0.00 H new ATOM 0 HA TYR A 91 -68.182 5.283 5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -68.860 4.439 7.624 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -70.076 5.691 7.469 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -68.556 3.027 5.273 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -72.135 4.998 6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -69.915 1.529 3.838 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -73.492 3.500 5.166 1.00 0.00 H new ATOM 0 HH TYR A 91 -73.495 1.809 3.709 1.00 0.00 H new ATOM 1333 N GLY A 92 -69.655 7.136 4.335 1.00 0.00 N ATOM 1334 CA GLY A 92 -70.316 8.369 3.819 1.00 0.00 C ATOM 1335 C GLY A 92 -69.365 9.551 3.997 1.00 0.00 C ATOM 1336 O GLY A 92 -69.778 10.672 4.220 1.00 0.00 O ATOM 0 H GLY A 92 -69.634 6.349 3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -70.573 8.247 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -71.247 8.550 4.356 1.00 0.00 H new ATOM 1340 N TYR A 93 -68.089 9.300 3.909 1.00 0.00 N ATOM 1341 CA TYR A 93 -67.092 10.393 4.082 1.00 0.00 C ATOM 1342 C TYR A 93 -65.932 10.206 3.103 1.00 0.00 C ATOM 1343 O TYR A 93 -65.551 9.099 2.778 1.00 0.00 O ATOM 1344 CB TYR A 93 -66.606 10.242 5.520 1.00 0.00 C ATOM 1345 CG TYR A 93 -67.687 10.669 6.486 1.00 0.00 C ATOM 1346 CD1 TYR A 93 -68.499 11.774 6.199 1.00 0.00 C ATOM 1347 CD2 TYR A 93 -67.871 9.956 7.676 1.00 0.00 C ATOM 1348 CE1 TYR A 93 -69.496 12.162 7.104 1.00 0.00 C ATOM 1349 CE2 TYR A 93 -68.866 10.345 8.580 1.00 0.00 C ATOM 1350 CZ TYR A 93 -69.678 11.448 8.294 1.00 0.00 C ATOM 1351 OH TYR A 93 -70.658 11.831 9.187 1.00 0.00 O ATOM 0 H TYR A 93 -67.691 8.379 3.724 1.00 0.00 H new ATOM 0 HA TYR A 93 -67.513 11.380 3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -66.328 9.205 5.710 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -65.712 10.846 5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -68.357 12.326 5.282 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -67.244 9.105 7.897 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -70.124 13.012 6.883 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -69.007 9.794 9.498 1.00 0.00 H new ATOM 0 HH TYR A 93 -70.650 11.228 9.960 1.00 0.00 H new ATOM 1361 N LYS A 94 -65.363 11.282 2.639 1.00 0.00 N ATOM 1362 CA LYS A 94 -64.221 11.172 1.690 1.00 0.00 C ATOM 1363 C LYS A 94 -62.920 11.474 2.430 1.00 0.00 C ATOM 1364 O LYS A 94 -62.916 12.145 3.437 1.00 0.00 O ATOM 1365 CB LYS A 94 -64.491 12.227 0.617 1.00 0.00 C ATOM 1366 CG LYS A 94 -65.859 11.973 -0.020 1.00 0.00 C ATOM 1367 CD LYS A 94 -66.104 12.997 -1.129 1.00 0.00 C ATOM 1368 CE LYS A 94 -67.372 13.797 -0.820 1.00 0.00 C ATOM 1369 NZ LYS A 94 -67.473 14.807 -1.914 1.00 0.00 N ATOM 0 H LYS A 94 -65.640 12.235 2.876 1.00 0.00 H new ATOM 0 HA LYS A 94 -64.126 10.177 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -64.463 13.224 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -63.712 12.193 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -65.900 10.963 -0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -66.642 12.044 0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -65.250 13.669 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -66.206 12.491 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -68.250 13.151 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -67.306 14.278 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -68.320 15.393 -1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -66.628 15.413 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -67.542 14.320 -2.831 1.00 0.00 H new ATOM 1383 N LEU A 95 -61.816 10.984 1.955 1.00 0.00 N ATOM 1384 CA LEU A 95 -60.537 11.257 2.664 1.00 0.00 C ATOM 1385 C LEU A 95 -59.869 12.508 2.099 1.00 0.00 C ATOM 1386 O LEU A 95 -59.234 12.475 1.064 1.00 0.00 O ATOM 1387 CB LEU A 95 -59.675 10.023 2.415 1.00 0.00 C ATOM 1388 CG LEU A 95 -60.184 8.867 3.275 1.00 0.00 C ATOM 1389 CD1 LEU A 95 -60.527 7.675 2.380 1.00 0.00 C ATOM 1390 CD2 LEU A 95 -59.100 8.458 4.271 1.00 0.00 C ATOM 0 H LEU A 95 -61.740 10.411 1.115 1.00 0.00 H new ATOM 0 HA LEU A 95 -60.687 11.439 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -59.709 9.749 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -58.634 10.239 2.655 1.00 0.00 H new ATOM 0 HG LEU A 95 -61.076 9.184 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -60.890 6.851 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -61.300 7.965 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -59.636 7.358 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -59.462 7.633 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -58.208 8.143 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -58.855 9.306 4.911 1.00 0.00 H new ATOM 1402 N SER A 96 -60.002 13.611 2.780 1.00 0.00 N ATOM 1403 CA SER A 96 -59.368 14.864 2.294 1.00 0.00 C ATOM 1404 C SER A 96 -57.875 14.847 2.631 1.00 0.00 C ATOM 1405 O SER A 96 -57.482 15.103 3.752 1.00 0.00 O ATOM 1406 CB SER A 96 -60.080 15.985 3.049 1.00 0.00 C ATOM 1407 OG SER A 96 -59.119 16.923 3.515 1.00 0.00 O ATOM 0 H SER A 96 -60.523 13.698 3.653 1.00 0.00 H new ATOM 0 HA SER A 96 -59.454 14.989 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 96 -60.800 16.479 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 96 -60.641 15.574 3.889 1.00 0.00 H new ATOM 0 HG SER A 96 -58.533 16.492 4.172 1.00 0.00 H new ATOM 1413 N GLY A 97 -57.041 14.537 1.676 1.00 0.00 N ATOM 1414 CA GLY A 97 -55.579 14.499 1.957 1.00 0.00 C ATOM 1415 C GLY A 97 -54.923 13.372 1.158 1.00 0.00 C ATOM 1416 O GLY A 97 -54.331 13.595 0.121 1.00 0.00 O ATOM 0 H GLY A 97 -57.308 14.310 0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -55.125 15.454 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -55.409 14.347 3.023 1.00 0.00 H new ATOM 1420 N SER A 98 -55.011 12.163 1.640 1.00 0.00 N ATOM 1421 CA SER A 98 -54.377 11.024 0.912 1.00 0.00 C ATOM 1422 C SER A 98 -54.866 9.681 1.471 1.00 0.00 C ATOM 1423 O SER A 98 -54.604 9.337 2.607 1.00 0.00 O ATOM 1424 CB SER A 98 -52.884 11.196 1.169 1.00 0.00 C ATOM 1425 OG SER A 98 -52.268 11.748 0.013 1.00 0.00 O ATOM 0 H SER A 98 -55.493 11.913 2.504 1.00 0.00 H new ATOM 0 HA SER A 98 -54.623 11.023 -0.150 1.00 0.00 H new ATOM 0 HB2 SER A 98 -52.724 11.849 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 98 -52.432 10.234 1.412 1.00 0.00 H new ATOM 0 HG SER A 98 -52.771 12.536 -0.281 1.00 0.00 H new ATOM 1431 N SER A 99 -55.572 8.918 0.678 1.00 0.00 N ATOM 1432 CA SER A 99 -56.079 7.597 1.160 1.00 0.00 C ATOM 1433 C SER A 99 -54.917 6.675 1.536 1.00 0.00 C ATOM 1434 O SER A 99 -54.906 6.074 2.590 1.00 0.00 O ATOM 1435 CB SER A 99 -56.863 7.022 -0.019 1.00 0.00 C ATOM 1436 OG SER A 99 -56.479 5.669 -0.227 1.00 0.00 O ATOM 0 H SER A 99 -55.820 9.152 -0.283 1.00 0.00 H new ATOM 0 HA SER A 99 -56.696 7.697 2.053 1.00 0.00 H new ATOM 0 HB2 SER A 99 -57.933 7.081 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 99 -56.671 7.608 -0.918 1.00 0.00 H new ATOM 0 HG SER A 99 -56.982 5.298 -0.982 1.00 0.00 H new ATOM 1442 N SER A 100 -53.942 6.557 0.683 1.00 0.00 N ATOM 1443 CA SER A 100 -52.782 5.672 0.997 1.00 0.00 C ATOM 1444 C SER A 100 -51.597 6.516 1.469 1.00 0.00 C ATOM 1445 O SER A 100 -51.233 7.495 0.849 1.00 0.00 O ATOM 1446 CB SER A 100 -52.453 4.962 -0.316 1.00 0.00 C ATOM 1447 OG SER A 100 -51.756 5.857 -1.174 1.00 0.00 O ATOM 0 H SER A 100 -53.895 7.033 -0.218 1.00 0.00 H new ATOM 0 HA SER A 100 -53.004 4.961 1.792 1.00 0.00 H new ATOM 0 HB2 SER A 100 -51.845 4.078 -0.122 1.00 0.00 H new ATOM 0 HB3 SER A 100 -53.369 4.619 -0.797 1.00 0.00 H new ATOM 0 HG SER A 100 -51.664 6.728 -0.733 1.00 0.00 H new ATOM 1453 N SER A 101 -50.997 6.152 2.569 1.00 0.00 N ATOM 1454 CA SER A 101 -49.844 6.946 3.083 1.00 0.00 C ATOM 1455 C SER A 101 -48.764 6.027 3.649 1.00 0.00 C ATOM 1456 O SER A 101 -49.020 4.898 4.010 1.00 0.00 O ATOM 1457 CB SER A 101 -50.433 7.815 4.192 1.00 0.00 C ATOM 1458 OG SER A 101 -51.606 8.459 3.713 1.00 0.00 O ATOM 0 H SER A 101 -51.254 5.342 3.133 1.00 0.00 H new ATOM 0 HA SER A 101 -49.372 7.536 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 101 -50.670 7.203 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 101 -49.703 8.557 4.514 1.00 0.00 H new ATOM 0 HG SER A 101 -52.393 8.074 4.152 1.00 0.00 H new ATOM 1464 N THR A 102 -47.558 6.513 3.736 1.00 0.00 N ATOM 1465 CA THR A 102 -46.454 5.681 4.285 1.00 0.00 C ATOM 1466 C THR A 102 -45.628 6.509 5.275 1.00 0.00 C ATOM 1467 O THR A 102 -45.386 7.681 5.066 1.00 0.00 O ATOM 1468 CB THR A 102 -45.618 5.281 3.071 1.00 0.00 C ATOM 1469 OG1 THR A 102 -46.388 5.454 1.889 1.00 0.00 O ATOM 1470 CG2 THR A 102 -45.205 3.816 3.203 1.00 0.00 C ATOM 0 H THR A 102 -47.289 7.454 3.449 1.00 0.00 H new ATOM 0 HA THR A 102 -46.814 4.806 4.826 1.00 0.00 H new ATOM 0 HB THR A 102 -44.727 5.907 3.017 1.00 0.00 H new ATOM 0 HG1 THR A 102 -45.852 5.199 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 102 -44.608 3.527 2.338 1.00 0.00 H new ATOM 0 HG22 THR A 102 -44.616 3.684 4.111 1.00 0.00 H new ATOM 0 HG23 THR A 102 -46.096 3.190 3.255 1.00 0.00 H new ATOM 1478 N CYS A 103 -45.212 5.915 6.360 1.00 0.00 N ATOM 1479 CA CYS A 103 -44.423 6.676 7.372 1.00 0.00 C ATOM 1480 C CYS A 103 -43.151 7.238 6.762 1.00 0.00 C ATOM 1481 O CYS A 103 -42.915 8.430 6.782 1.00 0.00 O ATOM 1482 CB CYS A 103 -44.107 5.659 8.485 1.00 0.00 C ATOM 1483 SG CYS A 103 -42.617 6.160 9.397 1.00 0.00 S ATOM 0 H CYS A 103 -45.384 4.936 6.590 1.00 0.00 H new ATOM 0 HA CYS A 103 -44.974 7.534 7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -44.952 5.585 9.169 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -43.960 4.670 8.051 1.00 0.00 H new ATOM 1488 N SER A 104 -42.331 6.378 6.256 1.00 0.00 N ATOM 1489 CA SER A 104 -41.036 6.798 5.652 1.00 0.00 C ATOM 1490 C SER A 104 -39.992 6.972 6.751 1.00 0.00 C ATOM 1491 O SER A 104 -40.332 7.071 7.914 1.00 0.00 O ATOM 1492 CB SER A 104 -41.293 8.120 4.918 1.00 0.00 C ATOM 1493 OG SER A 104 -40.641 8.096 3.655 1.00 0.00 O ATOM 0 H SER A 104 -42.502 5.373 6.232 1.00 0.00 H new ATOM 0 HA SER A 104 -40.656 6.051 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 104 -42.364 8.271 4.783 1.00 0.00 H new ATOM 0 HB3 SER A 104 -40.925 8.956 5.513 1.00 0.00 H new ATOM 0 HG SER A 104 -40.807 8.940 3.185 1.00 0.00 H new ATOM 1499 N PRO A 105 -38.748 6.976 6.356 1.00 0.00 N ATOM 1500 CA PRO A 105 -37.653 7.107 7.339 1.00 0.00 C ATOM 1501 C PRO A 105 -37.659 8.482 7.989 1.00 0.00 C ATOM 1502 O PRO A 105 -37.549 9.502 7.337 1.00 0.00 O ATOM 1503 CB PRO A 105 -36.392 6.860 6.524 1.00 0.00 C ATOM 1504 CG PRO A 105 -36.772 7.184 5.117 1.00 0.00 C ATOM 1505 CD PRO A 105 -38.244 6.875 4.982 1.00 0.00 C ATOM 0 HA PRO A 105 -37.743 6.406 8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -35.571 7.490 6.866 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -36.059 5.826 6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -36.575 8.233 4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -36.187 6.593 4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -38.743 7.583 4.320 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -38.408 5.880 4.567 1.00 0.00 H new ATOM 1513 N GLY A 106 -37.802 8.504 9.282 1.00 0.00 N ATOM 1514 CA GLY A 106 -37.835 9.791 10.014 1.00 0.00 C ATOM 1515 C GLY A 106 -39.041 9.796 10.959 1.00 0.00 C ATOM 1516 O GLY A 106 -39.185 10.669 11.789 1.00 0.00 O ATOM 0 H GLY A 106 -37.898 7.674 9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -36.913 9.926 10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -37.903 10.622 9.312 1.00 0.00 H new ATOM 1520 N ASN A 107 -39.903 8.813 10.838 1.00 0.00 N ATOM 1521 CA ASN A 107 -41.107 8.727 11.726 1.00 0.00 C ATOM 1522 C ASN A 107 -42.195 9.706 11.276 1.00 0.00 C ATOM 1523 O ASN A 107 -42.094 10.893 11.482 1.00 0.00 O ATOM 1524 CB ASN A 107 -40.594 9.034 13.153 1.00 0.00 C ATOM 1525 CG ASN A 107 -41.153 10.354 13.704 1.00 0.00 C ATOM 1526 OD1 ASN A 107 -40.608 11.411 13.458 1.00 0.00 O ATOM 1527 ND2 ASN A 107 -42.225 10.332 14.446 1.00 0.00 N ATOM 0 H ASN A 107 -39.822 8.060 10.155 1.00 0.00 H new ATOM 0 HA ASN A 107 -41.574 7.743 11.687 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -40.873 8.218 13.820 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -39.505 9.080 13.143 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -42.605 11.202 14.819 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -42.684 9.445 14.653 1.00 0.00 H new ATOM 1534 N THR A 108 -43.240 9.205 10.662 1.00 0.00 N ATOM 1535 CA THR A 108 -44.349 10.099 10.207 1.00 0.00 C ATOM 1536 C THR A 108 -45.350 9.324 9.342 1.00 0.00 C ATOM 1537 O THR A 108 -45.576 8.150 9.550 1.00 0.00 O ATOM 1538 CB THR A 108 -43.669 11.218 9.415 1.00 0.00 C ATOM 1539 OG1 THR A 108 -42.362 10.818 9.026 1.00 0.00 O ATOM 1540 CG2 THR A 108 -43.595 12.447 10.308 1.00 0.00 C ATOM 0 H THR A 108 -43.372 8.215 10.457 1.00 0.00 H new ATOM 0 HA THR A 108 -44.922 10.499 11.043 1.00 0.00 H new ATOM 0 HB THR A 108 -44.238 11.440 8.512 1.00 0.00 H new ATOM 0 HG1 THR A 108 -41.704 11.219 9.631 1.00 0.00 H new ATOM 0 HG21 THR A 108 -43.113 13.261 9.767 1.00 0.00 H new ATOM 0 HG22 THR A 108 -44.602 12.748 10.596 1.00 0.00 H new ATOM 0 HG23 THR A 108 -43.016 12.213 11.202 1.00 0.00 H new ATOM 1548 N TRP A 109 -45.967 9.978 8.391 1.00 0.00 N ATOM 1549 CA TRP A 109 -46.959 9.290 7.521 1.00 0.00 C ATOM 1550 C TRP A 109 -47.212 10.128 6.270 1.00 0.00 C ATOM 1551 O TRP A 109 -48.289 10.648 6.064 1.00 0.00 O ATOM 1552 CB TRP A 109 -48.212 9.176 8.376 1.00 0.00 C ATOM 1553 CG TRP A 109 -48.112 7.928 9.183 1.00 0.00 C ATOM 1554 CD1 TRP A 109 -48.133 7.865 10.534 1.00 0.00 C ATOM 1555 CD2 TRP A 109 -47.961 6.560 8.710 1.00 0.00 C ATOM 1556 NE1 TRP A 109 -48.001 6.543 10.920 1.00 0.00 N ATOM 1557 CE2 TRP A 109 -47.900 5.700 9.830 1.00 0.00 C ATOM 1558 CE3 TRP A 109 -47.878 5.987 7.428 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 -47.759 4.320 9.684 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 -47.739 4.599 7.277 1.00 0.00 C ATOM 1561 CH2 TRP A 109 -47.680 3.766 8.402 1.00 0.00 C ATOM 0 H TRP A 109 -45.823 10.966 8.181 1.00 0.00 H new ATOM 0 HA TRP A 109 -46.622 8.312 7.179 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -48.307 10.044 9.028 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -49.101 9.151 7.746 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -48.236 8.708 11.201 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -47.981 6.229 11.890 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -47.922 6.620 6.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -47.711 3.683 10.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -47.677 4.170 6.288 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -47.574 2.698 8.280 1.00 0.00 H new ATOM 1572 N LYS A 110 -46.216 10.267 5.436 1.00 0.00 N ATOM 1573 CA LYS A 110 -46.381 11.077 4.196 1.00 0.00 C ATOM 1574 C LYS A 110 -47.016 10.226 3.086 1.00 0.00 C ATOM 1575 O LYS A 110 -46.679 9.068 2.935 1.00 0.00 O ATOM 1576 CB LYS A 110 -44.961 11.485 3.805 1.00 0.00 C ATOM 1577 CG LYS A 110 -44.336 12.301 4.937 1.00 0.00 C ATOM 1578 CD LYS A 110 -43.690 13.562 4.361 1.00 0.00 C ATOM 1579 CE LYS A 110 -44.494 14.791 4.790 1.00 0.00 C ATOM 1580 NZ LYS A 110 -44.495 15.683 3.597 1.00 0.00 N ATOM 0 H LYS A 110 -45.292 9.853 5.562 1.00 0.00 H new ATOM 0 HA LYS A 110 -47.031 11.939 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -44.358 10.599 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -44.979 12.072 2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -45.098 12.571 5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -43.589 11.704 5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -42.661 13.648 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -43.653 13.500 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -45.509 14.518 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -44.038 15.281 5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -45.028 16.550 3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -43.516 15.931 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -44.941 15.192 2.797 1.00 0.00 H new ATOM 1594 N PRO A 111 -47.910 10.822 2.332 1.00 0.00 N ATOM 1595 CA PRO A 111 -48.298 12.242 2.546 1.00 0.00 C ATOM 1596 C PRO A 111 -49.150 12.385 3.809 1.00 0.00 C ATOM 1597 O PRO A 111 -49.641 11.415 4.351 1.00 0.00 O ATOM 1598 CB PRO A 111 -49.110 12.586 1.304 1.00 0.00 C ATOM 1599 CG PRO A 111 -49.634 11.275 0.812 1.00 0.00 C ATOM 1600 CD PRO A 111 -48.634 10.221 1.208 1.00 0.00 C ATOM 0 HA PRO A 111 -47.440 12.900 2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -49.923 13.273 1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -48.491 13.072 0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -50.610 11.063 1.248 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -49.765 11.294 -0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -49.127 9.294 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -47.962 9.979 0.384 1.00 0.00 H new ATOM 1608 N GLU A 112 -49.316 13.590 4.280 1.00 0.00 N ATOM 1609 CA GLU A 112 -50.124 13.819 5.516 1.00 0.00 C ATOM 1610 C GLU A 112 -51.332 12.878 5.561 1.00 0.00 C ATOM 1611 O GLU A 112 -51.969 12.619 4.560 1.00 0.00 O ATOM 1612 CB GLU A 112 -50.584 15.273 5.420 1.00 0.00 C ATOM 1613 CG GLU A 112 -51.187 15.529 4.036 1.00 0.00 C ATOM 1614 CD GLU A 112 -50.335 16.556 3.289 1.00 0.00 C ATOM 1615 OE1 GLU A 112 -49.226 16.809 3.728 1.00 0.00 O ATOM 1616 OE2 GLU A 112 -50.807 17.072 2.289 1.00 0.00 O ATOM 0 H GLU A 112 -48.925 14.433 3.860 1.00 0.00 H new ATOM 0 HA GLU A 112 -49.547 13.626 6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -51.322 15.484 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -49.742 15.944 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -51.233 14.599 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -52.210 15.893 4.135 1.00 0.00 H new ATOM 1623 N LEU A 113 -51.651 12.368 6.721 1.00 0.00 N ATOM 1624 CA LEU A 113 -52.820 11.448 6.838 1.00 0.00 C ATOM 1625 C LEU A 113 -54.045 12.086 6.184 1.00 0.00 C ATOM 1626 O LEU A 113 -54.214 13.289 6.214 1.00 0.00 O ATOM 1627 CB LEU A 113 -53.050 11.265 8.344 1.00 0.00 C ATOM 1628 CG LEU A 113 -51.919 10.433 8.983 1.00 0.00 C ATOM 1629 CD1 LEU A 113 -51.359 9.409 7.986 1.00 0.00 C ATOM 1630 CD2 LEU A 113 -50.791 11.363 9.438 1.00 0.00 C ATOM 0 H LEU A 113 -51.153 12.549 7.592 1.00 0.00 H new ATOM 0 HA LEU A 113 -52.645 10.493 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -53.105 12.240 8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -54.007 10.771 8.511 1.00 0.00 H new ATOM 0 HG LEU A 113 -52.330 9.898 9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -50.563 8.836 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -52.155 8.734 7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -50.961 9.929 7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -49.993 10.773 9.889 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -50.399 11.907 8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -51.177 12.072 10.171 1.00 0.00 H new ATOM 1642 N PRO A 114 -54.858 11.248 5.611 1.00 0.00 N ATOM 1643 CA PRO A 114 -56.088 11.720 4.933 1.00 0.00 C ATOM 1644 C PRO A 114 -57.127 12.209 5.945 1.00 0.00 C ATOM 1645 O PRO A 114 -56.998 11.999 7.135 1.00 0.00 O ATOM 1646 CB PRO A 114 -56.582 10.481 4.191 1.00 0.00 C ATOM 1647 CG PRO A 114 -55.991 9.316 4.917 1.00 0.00 C ATOM 1648 CD PRO A 114 -54.708 9.790 5.545 1.00 0.00 C ATOM 0 HA PRO A 114 -55.908 12.568 4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -57.671 10.432 4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -56.264 10.496 3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -56.679 8.947 5.678 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -55.802 8.490 4.231 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -54.566 9.359 6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -53.843 9.505 4.947 1.00 0.00 H new ATOM 1656 N LYS A 115 -58.158 12.861 5.478 1.00 0.00 N ATOM 1657 CA LYS A 115 -59.208 13.361 6.411 1.00 0.00 C ATOM 1658 C LYS A 115 -60.593 12.907 5.946 1.00 0.00 C ATOM 1659 O LYS A 115 -61.092 13.345 4.931 1.00 0.00 O ATOM 1660 CB LYS A 115 -59.096 14.886 6.360 1.00 0.00 C ATOM 1661 CG LYS A 115 -60.171 15.504 7.257 1.00 0.00 C ATOM 1662 CD LYS A 115 -59.536 16.545 8.182 1.00 0.00 C ATOM 1663 CE LYS A 115 -59.868 17.951 7.677 1.00 0.00 C ATOM 1664 NZ LYS A 115 -59.217 18.871 8.651 1.00 0.00 N ATOM 0 H LYS A 115 -58.318 13.069 4.492 1.00 0.00 H new ATOM 0 HA LYS A 115 -59.074 12.978 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -58.106 15.200 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -59.216 15.237 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -60.944 15.970 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -60.656 14.727 7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -59.906 16.416 9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -58.455 16.405 8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -59.486 18.109 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -60.945 18.113 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -59.399 19.856 8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -59.605 18.702 9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -58.192 18.698 8.660 1.00 0.00 H new ATOM 1678 N CYS A 116 -61.222 12.037 6.688 1.00 0.00 N ATOM 1679 CA CYS A 116 -62.578 11.564 6.293 1.00 0.00 C ATOM 1680 C CYS A 116 -63.572 12.715 6.422 1.00 0.00 C ATOM 1681 O CYS A 116 -64.033 13.044 7.497 1.00 0.00 O ATOM 1682 CB CYS A 116 -62.898 10.436 7.276 1.00 0.00 C ATOM 1683 SG CYS A 116 -64.019 9.222 6.525 1.00 0.00 S ATOM 0 H CYS A 116 -60.855 11.634 7.550 1.00 0.00 H new ATOM 0 HA CYS A 116 -62.630 11.216 5.261 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -61.976 9.944 7.584 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -63.354 10.850 8.175 1.00 0.00 H new ATOM 1688 N VAL A 117 -63.889 13.331 5.322 1.00 0.00 N ATOM 1689 CA VAL A 117 -64.841 14.475 5.337 1.00 0.00 C ATOM 1690 C VAL A 117 -66.112 14.112 4.601 1.00 0.00 C ATOM 1691 O VAL A 117 -66.268 13.013 4.109 1.00 0.00 O ATOM 1692 CB VAL A 117 -64.136 15.618 4.606 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -63.297 16.385 5.604 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -63.226 15.079 3.496 1.00 0.00 C ATOM 0 H VAL A 117 -63.525 13.089 4.400 1.00 0.00 H new ATOM 0 HA VAL A 117 -65.114 14.748 6.356 1.00 0.00 H new ATOM 0 HB VAL A 117 -64.887 16.265 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -62.787 17.204 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -63.940 16.787 6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -62.558 15.717 6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -62.736 15.911 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -62.471 14.423 3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -63.823 14.519 2.776 1.00 0.00 H new ATOM 1704 N ARG A 118 -67.021 15.030 4.512 1.00 0.00 N ATOM 1705 CA ARG A 118 -68.274 14.725 3.794 1.00 0.00 C ATOM 1706 C ARG A 118 -68.526 15.758 2.692 1.00 0.00 C ATOM 1707 O ARG A 118 -69.587 15.708 2.092 1.00 0.00 O ATOM 1708 CB ARG A 118 -69.375 14.778 4.852 1.00 0.00 C ATOM 1709 CG ARG A 118 -69.269 16.087 5.635 1.00 0.00 C ATOM 1710 CD ARG A 118 -70.391 16.156 6.673 1.00 0.00 C ATOM 1711 NE ARG A 118 -70.843 17.575 6.650 1.00 0.00 N ATOM 1712 CZ ARG A 118 -71.748 17.986 7.496 1.00 0.00 C ATOM 1713 NH1 ARG A 118 -71.679 17.633 8.751 1.00 0.00 N ATOM 1714 NH2 ARG A 118 -72.723 18.752 7.087 1.00 0.00 N ATOM 1715 OXT ARG A 118 -67.653 16.580 2.465 1.00 0.00 O ATOM 0 H ARG A 118 -66.951 15.970 4.902 1.00 0.00 H new ATOM 0 HA ARG A 118 -68.235 13.751 3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -70.354 14.704 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -69.284 13.929 5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -68.299 16.150 6.128 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -69.336 16.936 4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -71.206 15.477 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -70.033 15.871 7.662 1.00 0.00 H new ATOM 0 HE ARG A 118 -70.445 18.226 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -70.917 17.035 9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -72.387 17.955 9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -72.777 19.029 6.107 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -73.431 19.073 7.748 1.00 0.00 H new TER 1729 ARG A 118