USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1126 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 75 ASN : amide:sc= 0.529 K(o=0.53,f=-0.087) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 ASN : amide:sc= 0.882 K(o=-0.49,f=-5.9!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= -1.37 K(o=-0.49,f=-5.9!) USER MOD Single : A 3 ASN : amide:sc= 0.812 K(o=0.81,f=0) USER MOD Single : A 4 ASN : amide:sc= 0.442 K(o=0.44,f=-0.072) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.187 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0511 USER MOD Single : A 16 SER OG : rot 180:sc= -0.069 USER MOD Single : A 18 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 24 GLN : amide:sc= 1.29 K(o=1.3,f=-3.8!) USER MOD Single : A 26 TYR OH : rot 100:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 130:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 51 SER OG : rot 85:sc= 1.27 USER MOD Single : A 56 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 57 GLN : amide:sc= 0.2 K(o=0.2,f=-0.48) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.942 K(o=0.94,f=-0.36) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 62:sc= -0.177 USER MOD Single : A 81 THR OG1 : rot 52:sc= 1.17 USER MOD Single : A 82 MET CE :methyl -178:sc= 0 (180deg=-0.00382) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HE2:sc= -0.0176 K(o=-0.018,f=-2!) USER MOD Single : A 91 CYS SG : rot 72:sc= 0.226 USER MOD Single : A 93 MET CE :methyl 164:sc=-0.00231 (180deg=-0.522) USER MOD Single : A 97 MET CE :methyl 174:sc= 0 (180deg=-0.0391) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 1.3 (180deg=1.07) USER MOD Single : A 102 MET CE :methyl 165:sc= -0.0263 (180deg=-0.315) USER MOD Single : A 106 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.2!) USER MOD Single : A 109 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.17) USER MOD Single : A 111 CYS SG : rot 87:sc= 0.264 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -159:sc= 2.28 (180deg=1.41) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot -160:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 134 SER OG : rot 79:sc= 1.14 USER MOD Single : A 137 GLN : amide:sc=-0.000864 K(o=-0.00086,f=-0.89) USER MOD Single : A 140 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -4.708 8.714 -12.278 1.00 0.00 N ATOM 19 CA PHE A 2 -4.748 7.330 -11.801 1.00 0.00 C ATOM 20 C PHE A 2 -5.601 7.226 -10.527 1.00 0.00 C ATOM 21 O PHE A 2 -5.099 6.970 -9.435 1.00 0.00 O ATOM 22 CB PHE A 2 -3.326 6.747 -11.671 1.00 0.00 C ATOM 23 CG PHE A 2 -2.291 7.567 -10.911 1.00 0.00 C ATOM 24 CD1 PHE A 2 -1.566 8.582 -11.569 1.00 0.00 C ATOM 25 CD2 PHE A 2 -2.003 7.281 -9.562 1.00 0.00 C ATOM 26 CE1 PHE A 2 -0.594 9.326 -10.875 1.00 0.00 C ATOM 27 CE2 PHE A 2 -1.021 8.013 -8.872 1.00 0.00 C ATOM 28 CZ PHE A 2 -0.323 9.044 -9.524 1.00 0.00 C ATOM 0 HA PHE A 2 -5.244 6.701 -12.541 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.405 5.774 -11.186 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -2.942 6.571 -12.676 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.758 8.789 -12.611 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -2.540 6.494 -9.054 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.056 10.114 -11.380 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -0.803 7.783 -7.840 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.419 9.618 -8.989 1.00 0.00 H new ATOM 38 N ASN A 3 -6.910 7.467 -10.660 1.00 0.00 N ATOM 39 CA ASN A 3 -7.840 7.523 -9.531 1.00 0.00 C ATOM 40 C ASN A 3 -7.968 6.182 -8.798 1.00 0.00 C ATOM 41 O ASN A 3 -8.275 6.173 -7.604 1.00 0.00 O ATOM 42 CB ASN A 3 -9.223 7.994 -10.008 1.00 0.00 C ATOM 43 CG ASN A 3 -10.200 8.158 -8.842 1.00 0.00 C ATOM 44 OD1 ASN A 3 -11.045 7.303 -8.596 1.00 0.00 O ATOM 45 ND2 ASN A 3 -10.120 9.260 -8.112 1.00 0.00 N ATOM 0 H ASN A 3 -7.356 7.630 -11.563 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.429 8.238 -8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.122 8.943 -10.534 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.626 7.275 -10.722 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.765 9.405 -7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.413 9.964 -8.326 1.00 0.00 H new ATOM 52 N ASN A 4 -7.711 5.066 -9.493 1.00 0.00 N ATOM 53 CA ASN A 4 -7.836 3.725 -8.931 1.00 0.00 C ATOM 54 C ASN A 4 -6.418 3.220 -8.674 1.00 0.00 C ATOM 55 O ASN A 4 -5.627 3.169 -9.620 1.00 0.00 O ATOM 56 CB ASN A 4 -8.531 2.778 -9.931 1.00 0.00 C ATOM 57 CG ASN A 4 -10.052 2.723 -9.841 1.00 0.00 C ATOM 58 OD1 ASN A 4 -10.714 3.701 -9.511 1.00 0.00 O ATOM 59 ND2 ASN A 4 -10.643 1.574 -10.136 1.00 0.00 N ATOM 0 H ASN A 4 -7.409 5.074 -10.467 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.431 3.752 -8.018 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.256 3.081 -10.941 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.140 1.772 -9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.659 1.496 -10.090 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.082 0.767 -10.409 1.00 0.00 H new ATOM 66 N ILE A 5 -6.112 2.806 -7.442 1.00 0.00 N ATOM 67 CA ILE A 5 -4.757 2.421 -7.032 1.00 0.00 C ATOM 68 C ILE A 5 -4.860 1.148 -6.179 1.00 0.00 C ATOM 69 O ILE A 5 -5.858 0.949 -5.481 1.00 0.00 O ATOM 70 CB ILE A 5 -4.075 3.580 -6.256 1.00 0.00 C ATOM 71 CG1 ILE A 5 -4.181 4.920 -7.024 1.00 0.00 C ATOM 72 CG2 ILE A 5 -2.602 3.274 -5.899 1.00 0.00 C ATOM 73 CD1 ILE A 5 -3.577 6.124 -6.299 1.00 0.00 C ATOM 0 H ILE A 5 -6.802 2.728 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.137 2.218 -7.905 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.621 3.677 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.687 4.809 -7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.232 5.125 -7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.176 4.119 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.557 2.382 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.033 3.105 -6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.698 7.017 -6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.086 6.267 -5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.516 5.947 -6.121 1.00 0.00 H new ATOM 85 N LEU A 6 -3.824 0.305 -6.198 1.00 0.00 N ATOM 86 CA LEU A 6 -3.811 -0.962 -5.466 1.00 0.00 C ATOM 87 C LEU A 6 -2.457 -1.105 -4.777 1.00 0.00 C ATOM 88 O LEU A 6 -1.430 -0.983 -5.447 1.00 0.00 O ATOM 89 CB LEU A 6 -4.079 -2.087 -6.481 1.00 0.00 C ATOM 90 CG LEU A 6 -4.503 -3.474 -5.967 1.00 0.00 C ATOM 91 CD1 LEU A 6 -3.336 -4.280 -5.405 1.00 0.00 C ATOM 92 CD2 LEU A 6 -5.628 -3.428 -4.930 1.00 0.00 C ATOM 0 H LEU A 6 -2.968 0.484 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.579 -1.007 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.855 -1.737 -7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.173 -2.219 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.884 -3.977 -6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.696 -5.248 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.588 -4.429 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.889 -3.739 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.873 -4.442 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.303 -2.847 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.510 -2.962 -5.370 1.00 0.00 H new ATOM 104 N VAL A 7 -2.441 -1.362 -3.468 1.00 0.00 N ATOM 105 CA VAL A 7 -1.208 -1.575 -2.705 1.00 0.00 C ATOM 106 C VAL A 7 -1.116 -3.043 -2.272 1.00 0.00 C ATOM 107 O VAL A 7 -2.127 -3.649 -1.912 1.00 0.00 O ATOM 108 CB VAL A 7 -1.106 -0.598 -1.510 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.633 0.787 -1.964 1.00 0.00 C ATOM 110 CG2 VAL A 7 -2.410 -0.417 -0.724 1.00 0.00 C ATOM 0 H VAL A 7 -3.288 -1.429 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.352 -1.359 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.379 -1.065 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.571 1.451 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.350 0.702 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.341 1.195 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.247 0.284 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.183 -0.028 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.728 -1.378 -0.321 1.00 0.00 H new ATOM 120 N VAL A 8 0.090 -3.618 -2.293 1.00 0.00 N ATOM 121 CA VAL A 8 0.280 -5.051 -2.065 1.00 0.00 C ATOM 122 C VAL A 8 1.321 -5.265 -0.963 1.00 0.00 C ATOM 123 O VAL A 8 2.354 -4.589 -0.935 1.00 0.00 O ATOM 124 CB VAL A 8 0.673 -5.754 -3.386 1.00 0.00 C ATOM 125 CG1 VAL A 8 0.703 -7.284 -3.247 1.00 0.00 C ATOM 126 CG2 VAL A 8 -0.292 -5.427 -4.537 1.00 0.00 C ATOM 0 H VAL A 8 0.955 -3.107 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.655 -5.499 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 8 1.669 -5.374 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.984 -7.731 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.431 -7.566 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.284 -7.642 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.030 -5.946 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.298 -5.751 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.293 -4.352 -4.717 1.00 0.00 H new ATOM 136 N CYS A 9 1.051 -6.249 -0.101 1.00 0.00 N ATOM 137 CA CYS A 9 1.962 -6.723 0.945 1.00 0.00 C ATOM 138 C CYS A 9 2.015 -8.261 0.855 1.00 0.00 C ATOM 139 O CYS A 9 1.354 -8.838 -0.006 1.00 0.00 O ATOM 140 CB CYS A 9 1.461 -6.203 2.302 1.00 0.00 C ATOM 141 SG CYS A 9 2.629 -6.581 3.642 1.00 0.00 S ATOM 0 H CYS A 9 0.165 -6.754 -0.112 1.00 0.00 H new ATOM 0 HA CYS A 9 2.978 -6.349 0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.310 -5.125 2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.492 -6.649 2.527 1.00 0.00 H new ATOM 0 HG CYS A 9 2.164 -6.121 4.765 1.00 0.00 H new ATOM 147 N VAL A 10 2.806 -8.966 1.671 1.00 0.00 N ATOM 148 CA VAL A 10 2.732 -10.431 1.695 1.00 0.00 C ATOM 149 C VAL A 10 1.374 -10.844 2.287 1.00 0.00 C ATOM 150 O VAL A 10 0.579 -11.476 1.592 1.00 0.00 O ATOM 151 CB VAL A 10 3.927 -11.040 2.465 1.00 0.00 C ATOM 152 CG1 VAL A 10 3.920 -12.574 2.376 1.00 0.00 C ATOM 153 CG2 VAL A 10 5.270 -10.538 1.916 1.00 0.00 C ATOM 0 H VAL A 10 3.489 -8.559 2.309 1.00 0.00 H new ATOM 0 HA VAL A 10 2.802 -10.825 0.681 1.00 0.00 H new ATOM 0 HB VAL A 10 3.816 -10.725 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.771 -12.974 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.996 -12.959 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.988 -12.878 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.086 -10.988 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.361 -10.816 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.319 -9.453 2.009 1.00 0.00 H new ATOM 163 N GLY A 11 1.085 -10.447 3.535 1.00 0.00 N ATOM 164 CA GLY A 11 -0.075 -10.957 4.270 1.00 0.00 C ATOM 165 C GLY A 11 -1.298 -10.043 4.210 1.00 0.00 C ATOM 166 O GLY A 11 -2.371 -10.461 4.642 1.00 0.00 O ATOM 0 H GLY A 11 1.644 -9.771 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.345 -11.935 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.205 -11.105 5.313 1.00 0.00 H new ATOM 170 N ASN A 12 -1.148 -8.827 3.663 1.00 0.00 N ATOM 171 CA ASN A 12 -2.212 -7.817 3.502 1.00 0.00 C ATOM 172 C ASN A 12 -2.738 -7.230 4.815 1.00 0.00 C ATOM 173 O ASN A 12 -2.989 -6.038 4.832 1.00 0.00 O ATOM 174 CB ASN A 12 -3.356 -8.357 2.613 1.00 0.00 C ATOM 175 CG ASN A 12 -4.476 -7.404 2.167 1.00 0.00 C ATOM 176 OD1 ASN A 12 -5.282 -7.806 1.340 1.00 0.00 O ATOM 177 ND2 ASN A 12 -4.639 -6.194 2.672 1.00 0.00 N ATOM 0 H ASN A 12 -0.248 -8.505 3.306 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.742 -6.974 2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.903 -8.774 1.713 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.823 -9.184 3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.424 -5.617 2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.980 -5.837 3.363 1.00 0.00 H new ATOM 184 N ILE A 13 -2.874 -7.962 5.918 1.00 0.00 N ATOM 185 CA ILE A 13 -3.589 -7.490 7.117 1.00 0.00 C ATOM 186 C ILE A 13 -3.057 -6.219 7.824 1.00 0.00 C ATOM 187 O ILE A 13 -3.631 -5.846 8.845 1.00 0.00 O ATOM 188 CB ILE A 13 -3.780 -8.654 8.120 1.00 0.00 C ATOM 189 CG1 ILE A 13 -2.446 -9.124 8.741 1.00 0.00 C ATOM 190 CG2 ILE A 13 -4.542 -9.816 7.457 1.00 0.00 C ATOM 191 CD1 ILE A 13 -2.650 -10.060 9.938 1.00 0.00 C ATOM 0 H ILE A 13 -2.493 -8.903 6.013 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.546 -7.149 6.723 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.382 -8.278 8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.856 -9.636 7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.871 -8.254 9.059 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.668 -10.626 8.176 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.521 -9.468 7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.978 -10.178 6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.680 -10.359 10.335 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.215 -9.542 10.713 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.200 -10.945 9.618 1.00 0.00 H new ATOM 203 N CYS A 14 -1.995 -5.543 7.372 1.00 0.00 N ATOM 204 CA CYS A 14 -1.420 -4.429 8.129 1.00 0.00 C ATOM 205 C CYS A 14 -0.808 -3.321 7.268 1.00 0.00 C ATOM 206 O CYS A 14 -1.281 -2.183 7.292 1.00 0.00 O ATOM 207 CB CYS A 14 -0.385 -4.992 9.123 1.00 0.00 C ATOM 208 SG CYS A 14 0.741 -6.213 8.368 1.00 0.00 S ATOM 0 H CYS A 14 -1.520 -5.747 6.492 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.241 -3.942 8.655 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.202 -4.170 9.532 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.908 -5.457 9.959 1.00 0.00 H new ATOM 0 HG CYS A 14 1.582 -6.639 9.263 1.00 0.00 H new ATOM 214 N ARG A 15 0.238 -3.634 6.501 1.00 0.00 N ATOM 215 CA ARG A 15 1.045 -2.616 5.827 1.00 0.00 C ATOM 216 C ARG A 15 0.287 -1.940 4.686 1.00 0.00 C ATOM 217 O ARG A 15 0.167 -0.714 4.682 1.00 0.00 O ATOM 218 CB ARG A 15 2.364 -3.284 5.396 1.00 0.00 C ATOM 219 CG ARG A 15 3.459 -2.300 4.962 1.00 0.00 C ATOM 220 CD ARG A 15 4.846 -2.961 4.850 1.00 0.00 C ATOM 221 NE ARG A 15 4.862 -4.205 4.051 1.00 0.00 N ATOM 222 CZ ARG A 15 5.966 -4.849 3.639 1.00 0.00 C ATOM 223 NH1 ARG A 15 7.173 -4.408 3.938 1.00 0.00 N ATOM 224 NH2 ARG A 15 5.893 -5.947 2.902 1.00 0.00 N ATOM 0 H ARG A 15 0.547 -4.591 6.331 1.00 0.00 H new ATOM 0 HA ARG A 15 1.274 -1.794 6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.740 -3.886 6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.159 -3.968 4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.190 -1.866 3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.509 -1.480 5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.541 -2.248 4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.213 -3.182 5.852 1.00 0.00 H new ATOM 0 HE ARG A 15 3.961 -4.607 3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.283 -3.560 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.996 -4.915 3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.983 -6.322 2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.747 -6.417 2.602 1.00 0.00 H new ATOM 238 N SER A 16 -0.258 -2.705 3.740 1.00 0.00 N ATOM 239 CA SER A 16 -1.015 -2.139 2.631 1.00 0.00 C ATOM 240 C SER A 16 -2.264 -1.369 3.113 1.00 0.00 C ATOM 241 O SER A 16 -2.401 -0.218 2.710 1.00 0.00 O ATOM 242 CB SER A 16 -1.279 -3.208 1.560 1.00 0.00 C ATOM 243 OG SER A 16 -1.302 -4.533 2.078 1.00 0.00 O ATOM 0 H SER A 16 -0.187 -3.722 3.723 1.00 0.00 H new ATOM 0 HA SER A 16 -0.413 -1.374 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.233 -2.999 1.076 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.509 -3.140 0.791 1.00 0.00 H new ATOM 0 HG SER A 16 -1.476 -5.166 1.350 1.00 0.00 H new ATOM 249 N PRO A 17 -3.110 -1.874 4.034 1.00 0.00 N ATOM 250 CA PRO A 17 -4.224 -1.128 4.613 1.00 0.00 C ATOM 251 C PRO A 17 -3.822 0.218 5.211 1.00 0.00 C ATOM 252 O PRO A 17 -4.583 1.180 5.103 1.00 0.00 O ATOM 253 CB PRO A 17 -4.821 -2.027 5.696 1.00 0.00 C ATOM 254 CG PRO A 17 -4.530 -3.419 5.158 1.00 0.00 C ATOM 255 CD PRO A 17 -3.192 -3.254 4.445 1.00 0.00 C ATOM 0 HA PRO A 17 -4.936 -0.885 3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.353 -1.860 6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.890 -1.855 5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.469 -4.154 5.960 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.310 -3.756 4.475 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.366 -3.510 5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.128 -3.919 3.584 1.00 0.00 H new ATOM 263 N THR A 18 -2.642 0.302 5.832 1.00 0.00 N ATOM 264 CA THR A 18 -2.156 1.555 6.382 1.00 0.00 C ATOM 265 C THR A 18 -1.919 2.552 5.236 1.00 0.00 C ATOM 266 O THR A 18 -2.405 3.682 5.310 1.00 0.00 O ATOM 267 CB THR A 18 -0.906 1.291 7.240 1.00 0.00 C ATOM 268 OG1 THR A 18 -1.196 0.364 8.268 1.00 0.00 O ATOM 269 CG2 THR A 18 -0.390 2.567 7.908 1.00 0.00 C ATOM 0 H THR A 18 -2.010 -0.488 5.963 1.00 0.00 H new ATOM 0 HA THR A 18 -2.895 2.006 7.045 1.00 0.00 H new ATOM 0 HB THR A 18 -0.146 0.900 6.563 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.239 -0.540 7.891 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.493 2.334 8.504 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.129 3.298 7.143 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.165 2.979 8.554 1.00 0.00 H new ATOM 277 N ALA A 19 -1.245 2.138 4.153 1.00 0.00 N ATOM 278 CA ALA A 19 -1.051 2.992 2.983 1.00 0.00 C ATOM 279 C ALA A 19 -2.387 3.377 2.346 1.00 0.00 C ATOM 280 O ALA A 19 -2.596 4.544 2.025 1.00 0.00 O ATOM 281 CB ALA A 19 -0.191 2.282 1.937 1.00 0.00 C ATOM 0 H ALA A 19 -0.825 1.212 4.068 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.547 3.897 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.057 2.933 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.782 2.045 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.684 1.361 1.625 1.00 0.00 H new ATOM 287 N GLU A 20 -3.279 2.402 2.170 1.00 0.00 N ATOM 288 CA GLU A 20 -4.588 2.605 1.571 1.00 0.00 C ATOM 289 C GLU A 20 -5.340 3.693 2.330 1.00 0.00 C ATOM 290 O GLU A 20 -5.711 4.711 1.744 1.00 0.00 O ATOM 291 CB GLU A 20 -5.318 1.251 1.549 1.00 0.00 C ATOM 292 CG GLU A 20 -6.791 1.286 1.114 1.00 0.00 C ATOM 293 CD GLU A 20 -7.783 1.211 2.291 1.00 0.00 C ATOM 294 OE1 GLU A 20 -7.982 0.111 2.860 1.00 0.00 O ATOM 295 OE2 GLU A 20 -8.408 2.241 2.629 1.00 0.00 O ATOM 0 H GLU A 20 -3.105 1.436 2.446 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.511 2.957 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.778 0.581 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.265 0.816 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.974 2.203 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.981 0.454 0.436 1.00 0.00 H new ATOM 302 N ARG A 21 -5.492 3.533 3.645 1.00 0.00 N ATOM 303 CA ARG A 21 -6.221 4.499 4.449 1.00 0.00 C ATOM 304 C ARG A 21 -5.518 5.851 4.486 1.00 0.00 C ATOM 305 O ARG A 21 -6.210 6.866 4.470 1.00 0.00 O ATOM 306 CB ARG A 21 -6.431 3.939 5.858 1.00 0.00 C ATOM 307 CG ARG A 21 -7.557 2.895 5.938 1.00 0.00 C ATOM 308 CD ARG A 21 -8.945 3.496 5.665 1.00 0.00 C ATOM 309 NE ARG A 21 -10.001 2.643 6.234 1.00 0.00 N ATOM 310 CZ ARG A 21 -10.699 1.696 5.597 1.00 0.00 C ATOM 311 NH1 ARG A 21 -10.428 1.370 4.337 1.00 0.00 N ATOM 312 NH2 ARG A 21 -11.677 1.071 6.245 1.00 0.00 N ATOM 0 H ARG A 21 -5.118 2.743 4.170 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.194 4.668 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.501 3.487 6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.658 4.760 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.362 2.100 5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.552 2.437 6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.006 4.495 6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.096 3.603 4.591 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.224 2.789 7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.676 1.845 3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.972 0.645 3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.885 1.316 7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.219 0.346 5.774 1.00 0.00 H new ATOM 326 N LEU A 22 -4.181 5.899 4.499 1.00 0.00 N ATOM 327 CA LEU A 22 -3.450 7.163 4.425 1.00 0.00 C ATOM 328 C LEU A 22 -3.802 7.895 3.130 1.00 0.00 C ATOM 329 O LEU A 22 -4.131 9.078 3.176 1.00 0.00 O ATOM 330 CB LEU A 22 -1.932 6.927 4.515 1.00 0.00 C ATOM 331 CG LEU A 22 -1.403 6.752 5.951 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.025 6.085 5.909 1.00 0.00 C ATOM 333 CD2 LEU A 22 -1.286 8.108 6.663 1.00 0.00 C ATOM 0 H LEU A 22 -3.585 5.074 4.560 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.744 7.782 5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.679 6.039 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.417 7.768 4.050 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.106 6.128 6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.350 5.961 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.108 5.109 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.665 6.710 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.910 7.956 7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.598 8.750 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.267 8.582 6.707 1.00 0.00 H new ATOM 345 N LEU A 23 -3.789 7.208 1.983 1.00 0.00 N ATOM 346 CA LEU A 23 -4.150 7.831 0.713 1.00 0.00 C ATOM 347 C LEU A 23 -5.608 8.299 0.728 1.00 0.00 C ATOM 348 O LEU A 23 -5.881 9.403 0.258 1.00 0.00 O ATOM 349 CB LEU A 23 -3.918 6.887 -0.482 1.00 0.00 C ATOM 350 CG LEU A 23 -2.570 6.989 -1.225 1.00 0.00 C ATOM 351 CD1 LEU A 23 -2.199 8.428 -1.613 1.00 0.00 C ATOM 352 CD2 LEU A 23 -1.427 6.345 -0.439 1.00 0.00 C ATOM 0 H LEU A 23 -3.533 6.223 1.912 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.497 8.695 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.028 5.863 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.714 7.061 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.713 6.429 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.240 8.429 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.967 8.838 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.126 9.040 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.499 6.442 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.321 6.844 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.646 5.289 -0.278 1.00 0.00 H new ATOM 364 N GLN A 24 -6.533 7.508 1.285 1.00 0.00 N ATOM 365 CA GLN A 24 -7.929 7.925 1.407 1.00 0.00 C ATOM 366 C GLN A 24 -8.054 9.176 2.290 1.00 0.00 C ATOM 367 O GLN A 24 -8.871 10.047 1.995 1.00 0.00 O ATOM 368 CB GLN A 24 -8.809 6.789 1.962 1.00 0.00 C ATOM 369 CG GLN A 24 -8.936 5.551 1.056 1.00 0.00 C ATOM 370 CD GLN A 24 -9.416 5.880 -0.355 1.00 0.00 C ATOM 371 OE1 GLN A 24 -8.676 5.759 -1.324 1.00 0.00 O ATOM 372 NE2 GLN A 24 -10.655 6.310 -0.508 1.00 0.00 N ATOM 0 H GLN A 24 -6.338 6.578 1.657 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.284 8.170 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.403 6.475 2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.807 7.184 2.151 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.968 5.053 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.630 4.845 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.265 6.408 0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.002 6.544 -1.438 1.00 0.00 H new ATOM 381 N ARG A 25 -7.247 9.298 3.352 1.00 0.00 N ATOM 382 CA ARG A 25 -7.237 10.473 4.219 1.00 0.00 C ATOM 383 C ARG A 25 -6.822 11.709 3.422 1.00 0.00 C ATOM 384 O ARG A 25 -7.496 12.736 3.499 1.00 0.00 O ATOM 385 CB ARG A 25 -6.301 10.222 5.417 1.00 0.00 C ATOM 386 CG ARG A 25 -6.539 11.189 6.584 1.00 0.00 C ATOM 387 CD ARG A 25 -5.499 10.940 7.686 1.00 0.00 C ATOM 388 NE ARG A 25 -5.916 11.519 8.976 1.00 0.00 N ATOM 389 CZ ARG A 25 -5.522 11.093 10.186 1.00 0.00 C ATOM 390 NH1 ARG A 25 -4.598 10.147 10.319 1.00 0.00 N ATOM 391 NH2 ARG A 25 -6.054 11.608 11.287 1.00 0.00 N ATOM 0 H ARG A 25 -6.581 8.578 3.631 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.239 10.655 4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.437 9.199 5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.266 10.310 5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.472 12.219 6.234 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.544 11.052 6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.343 9.867 7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.543 11.370 7.387 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.559 12.311 8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.173 9.729 9.491 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.314 9.839 11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.768 12.333 11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.749 11.279 12.203 1.00 0.00 H new ATOM 405 N TYR A 26 -5.732 11.609 2.652 1.00 0.00 N ATOM 406 CA TYR A 26 -5.238 12.735 1.860 1.00 0.00 C ATOM 407 C TYR A 26 -6.196 13.102 0.725 1.00 0.00 C ATOM 408 O TYR A 26 -6.352 14.290 0.434 1.00 0.00 O ATOM 409 CB TYR A 26 -3.833 12.447 1.309 1.00 0.00 C ATOM 410 CG TYR A 26 -2.760 12.320 2.377 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.558 13.367 3.300 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.978 11.152 2.467 1.00 0.00 C ATOM 413 CE1 TYR A 26 -1.626 13.229 4.341 1.00 0.00 C ATOM 414 CE2 TYR A 26 -1.043 11.007 3.507 1.00 0.00 C ATOM 415 CZ TYR A 26 -0.876 12.037 4.457 1.00 0.00 C ATOM 416 OH TYR A 26 -0.006 11.861 5.485 1.00 0.00 O ATOM 0 H TYR A 26 -5.177 10.758 2.562 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.179 13.594 2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.864 11.524 0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.553 13.246 0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.124 14.282 3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.097 10.366 1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.483 14.031 5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.452 10.106 3.579 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.424 11.305 6.175 1.00 0.00 H new ATOM 426 N HIS A 27 -6.855 12.119 0.106 1.00 0.00 N ATOM 427 CA HIS A 27 -7.725 12.314 -1.047 1.00 0.00 C ATOM 428 C HIS A 27 -8.973 11.428 -0.905 1.00 0.00 C ATOM 429 O HIS A 27 -8.980 10.301 -1.402 1.00 0.00 O ATOM 430 CB HIS A 27 -6.954 12.011 -2.345 1.00 0.00 C ATOM 431 CG HIS A 27 -5.850 12.982 -2.683 1.00 0.00 C ATOM 432 ND1 HIS A 27 -6.006 14.315 -3.003 1.00 0.00 N ATOM 433 CD2 HIS A 27 -4.515 12.692 -2.814 1.00 0.00 C ATOM 434 CE1 HIS A 27 -4.797 14.814 -3.310 1.00 0.00 C ATOM 435 NE2 HIS A 27 -3.855 13.859 -3.212 1.00 0.00 N ATOM 0 H HIS A 27 -6.794 11.145 0.403 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.052 13.353 -1.093 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.525 11.012 -2.268 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.663 11.991 -3.173 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -6.886 14.831 -3.006 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.055 11.731 -2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.608 15.838 -3.595 1.00 0.00 H new ATOM 443 N PRO A 28 -10.049 11.908 -0.256 1.00 0.00 N ATOM 444 CA PRO A 28 -11.323 11.192 -0.173 1.00 0.00 C ATOM 445 C PRO A 28 -11.925 10.814 -1.539 1.00 0.00 C ATOM 446 O PRO A 28 -12.699 9.861 -1.625 1.00 0.00 O ATOM 447 CB PRO A 28 -12.265 12.120 0.600 1.00 0.00 C ATOM 448 CG PRO A 28 -11.319 12.973 1.443 1.00 0.00 C ATOM 449 CD PRO A 28 -10.101 13.129 0.534 1.00 0.00 C ATOM 0 HA PRO A 28 -11.170 10.233 0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.865 12.733 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.960 11.557 1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.761 13.937 1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.062 12.484 2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.198 14.007 -0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.189 13.259 1.117 1.00 0.00 H new ATOM 457 N GLU A 29 -11.577 11.552 -2.602 1.00 0.00 N ATOM 458 CA GLU A 29 -12.066 11.290 -3.960 1.00 0.00 C ATOM 459 C GLU A 29 -11.343 10.101 -4.617 1.00 0.00 C ATOM 460 O GLU A 29 -11.708 9.681 -5.720 1.00 0.00 O ATOM 461 CB GLU A 29 -11.855 12.546 -4.827 1.00 0.00 C ATOM 462 CG GLU A 29 -12.540 13.814 -4.296 1.00 0.00 C ATOM 463 CD GLU A 29 -14.070 13.671 -4.200 1.00 0.00 C ATOM 464 OE1 GLU A 29 -14.756 13.696 -5.248 1.00 0.00 O ATOM 465 OE2 GLU A 29 -14.611 13.559 -3.077 1.00 0.00 O ATOM 0 H GLU A 29 -10.945 12.351 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.125 11.041 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.785 12.736 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.225 12.343 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.140 14.052 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.298 14.652 -4.949 1.00 0.00 H new ATOM 472 N LEU A 30 -10.280 9.590 -3.993 1.00 0.00 N ATOM 473 CA LEU A 30 -9.414 8.558 -4.549 1.00 0.00 C ATOM 474 C LEU A 30 -9.980 7.172 -4.233 1.00 0.00 C ATOM 475 O LEU A 30 -10.798 7.017 -3.320 1.00 0.00 O ATOM 476 CB LEU A 30 -8.011 8.765 -3.954 1.00 0.00 C ATOM 477 CG LEU A 30 -6.821 8.207 -4.748 1.00 0.00 C ATOM 478 CD1 LEU A 30 -6.685 8.884 -6.116 1.00 0.00 C ATOM 479 CD2 LEU A 30 -5.551 8.503 -3.943 1.00 0.00 C ATOM 0 H LEU A 30 -9.993 9.893 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.356 8.628 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.856 9.836 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.995 8.315 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.973 7.140 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.832 8.462 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.593 8.717 -6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.534 9.955 -5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.683 8.119 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.448 9.580 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.618 8.021 -2.968 1.00 0.00 H new ATOM 491 N LYS A 31 -9.531 6.160 -4.980 1.00 0.00 N ATOM 492 CA LYS A 31 -9.993 4.787 -4.821 1.00 0.00 C ATOM 493 C LYS A 31 -8.761 3.905 -4.671 1.00 0.00 C ATOM 494 O LYS A 31 -8.310 3.281 -5.632 1.00 0.00 O ATOM 495 CB LYS A 31 -10.877 4.421 -6.027 1.00 0.00 C ATOM 496 CG LYS A 31 -11.506 3.015 -5.977 1.00 0.00 C ATOM 497 CD LYS A 31 -12.380 2.724 -4.744 1.00 0.00 C ATOM 498 CE LYS A 31 -13.544 3.720 -4.609 1.00 0.00 C ATOM 499 NZ LYS A 31 -14.441 3.387 -3.474 1.00 0.00 N ATOM 0 H LYS A 31 -8.833 6.275 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.610 4.647 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.677 5.157 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.278 4.501 -6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.113 2.875 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.706 2.276 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.777 1.711 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.763 2.764 -3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.145 4.725 -4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.120 3.730 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.210 4.085 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.844 2.439 -3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.899 3.403 -2.587 1.00 0.00 H new ATOM 513 N VAL A 32 -8.193 3.892 -3.471 1.00 0.00 N ATOM 514 CA VAL A 32 -7.092 2.999 -3.145 1.00 0.00 C ATOM 515 C VAL A 32 -7.682 1.769 -2.457 1.00 0.00 C ATOM 516 O VAL A 32 -8.648 1.871 -1.696 1.00 0.00 O ATOM 517 CB VAL A 32 -6.015 3.725 -2.315 1.00 0.00 C ATOM 518 CG1 VAL A 32 -4.732 2.879 -2.220 1.00 0.00 C ATOM 519 CG2 VAL A 32 -5.674 5.080 -2.959 1.00 0.00 C ATOM 0 H VAL A 32 -8.482 4.497 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.570 2.670 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.414 3.881 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.987 3.413 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.959 1.926 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.340 2.699 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.912 5.584 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.298 4.918 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.570 5.699 -3.001 1.00 0.00 H new ATOM 529 N GLU A 33 -7.101 0.607 -2.739 1.00 0.00 N ATOM 530 CA GLU A 33 -7.501 -0.665 -2.158 1.00 0.00 C ATOM 531 C GLU A 33 -6.224 -1.477 -1.883 1.00 0.00 C ATOM 532 O GLU A 33 -5.150 -1.113 -2.371 1.00 0.00 O ATOM 533 CB GLU A 33 -8.479 -1.339 -3.140 1.00 0.00 C ATOM 534 CG GLU A 33 -9.065 -2.681 -2.684 1.00 0.00 C ATOM 535 CD GLU A 33 -9.764 -2.601 -1.321 1.00 0.00 C ATOM 536 OE1 GLU A 33 -9.062 -2.549 -0.290 1.00 0.00 O ATOM 537 OE2 GLU A 33 -11.013 -2.693 -1.276 1.00 0.00 O ATOM 0 H GLU A 33 -6.322 0.524 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.023 -0.564 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.302 -0.651 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.964 -1.493 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.777 -3.032 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.266 -3.421 -2.633 1.00 0.00 H new ATOM 544 N SER A 34 -6.325 -2.566 -1.116 1.00 0.00 N ATOM 545 CA SER A 34 -5.189 -3.429 -0.805 1.00 0.00 C ATOM 546 C SER A 34 -5.420 -4.874 -1.248 1.00 0.00 C ATOM 547 O SER A 34 -6.561 -5.322 -1.393 1.00 0.00 O ATOM 548 CB SER A 34 -4.902 -3.431 0.697 1.00 0.00 C ATOM 549 OG SER A 34 -4.774 -2.124 1.223 1.00 0.00 O ATOM 0 H SER A 34 -7.201 -2.872 -0.693 1.00 0.00 H new ATOM 0 HA SER A 34 -4.340 -3.022 -1.354 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.706 -3.952 1.217 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.985 -3.988 0.888 1.00 0.00 H new ATOM 0 HG SER A 34 -5.342 -2.034 2.016 1.00 0.00 H new ATOM 555 N ALA A 35 -4.310 -5.598 -1.408 1.00 0.00 N ATOM 556 CA ALA A 35 -4.293 -7.038 -1.610 1.00 0.00 C ATOM 557 C ALA A 35 -2.987 -7.578 -1.005 1.00 0.00 C ATOM 558 O ALA A 35 -2.181 -6.812 -0.456 1.00 0.00 O ATOM 559 CB ALA A 35 -4.385 -7.354 -3.109 1.00 0.00 C ATOM 0 H ALA A 35 -3.378 -5.183 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.145 -7.512 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.372 -8.434 -3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.312 -6.945 -3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.537 -6.908 -3.628 1.00 0.00 H new ATOM 565 N GLY A 36 -2.723 -8.880 -1.139 1.00 0.00 N ATOM 566 CA GLY A 36 -1.419 -9.424 -0.789 1.00 0.00 C ATOM 567 C GLY A 36 -1.035 -10.686 -1.543 1.00 0.00 C ATOM 568 O GLY A 36 -1.898 -11.398 -2.056 1.00 0.00 O ATOM 0 H GLY A 36 -3.392 -9.568 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.661 -8.662 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.404 -9.637 0.280 1.00 0.00 H new ATOM 572 N LEU A 37 0.273 -10.945 -1.606 1.00 0.00 N ATOM 573 CA LEU A 37 0.847 -12.065 -2.357 1.00 0.00 C ATOM 574 C LEU A 37 0.382 -13.409 -1.786 1.00 0.00 C ATOM 575 O LEU A 37 0.125 -14.348 -2.540 1.00 0.00 O ATOM 576 CB LEU A 37 2.390 -12.006 -2.330 1.00 0.00 C ATOM 577 CG LEU A 37 3.038 -10.716 -2.875 1.00 0.00 C ATOM 578 CD1 LEU A 37 4.564 -10.822 -2.775 1.00 0.00 C ATOM 579 CD2 LEU A 37 2.653 -10.422 -4.329 1.00 0.00 C ATOM 0 H LEU A 37 0.973 -10.375 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 37 0.500 -11.980 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.719 -12.145 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.774 -12.850 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 37 2.664 -9.894 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.018 -9.909 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.852 -10.958 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.909 -11.674 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.139 -9.503 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.974 -11.248 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.572 -10.306 -4.403 1.00 0.00 H new ATOM 591 N GLY A 38 0.237 -13.478 -0.461 1.00 0.00 N ATOM 592 CA GLY A 38 -0.213 -14.658 0.265 1.00 0.00 C ATOM 593 C GLY A 38 -1.132 -14.167 1.380 1.00 0.00 C ATOM 594 O GLY A 38 -0.878 -14.404 2.562 1.00 0.00 O ATOM 0 H GLY A 38 0.437 -12.687 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.742 -15.342 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.635 -15.205 0.676 1.00 0.00 H new ATOM 598 N ALA A 39 -2.134 -13.377 0.976 1.00 0.00 N ATOM 599 CA ALA A 39 -2.997 -12.653 1.894 1.00 0.00 C ATOM 600 C ALA A 39 -3.874 -13.589 2.725 1.00 0.00 C ATOM 601 O ALA A 39 -4.018 -14.780 2.437 1.00 0.00 O ATOM 602 CB ALA A 39 -3.897 -11.707 1.106 1.00 0.00 C ATOM 0 H ALA A 39 -2.364 -13.226 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.353 -12.099 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.545 -11.164 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.282 -10.999 0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.508 -12.282 0.410 1.00 0.00 H new ATOM 608 N LEU A 40 -4.539 -12.988 3.711 1.00 0.00 N ATOM 609 CA LEU A 40 -5.383 -13.690 4.666 1.00 0.00 C ATOM 610 C LEU A 40 -6.811 -13.213 4.426 1.00 0.00 C ATOM 611 O LEU A 40 -7.317 -12.347 5.139 1.00 0.00 O ATOM 612 CB LEU A 40 -4.876 -13.415 6.092 1.00 0.00 C ATOM 613 CG LEU A 40 -3.449 -13.933 6.377 1.00 0.00 C ATOM 614 CD1 LEU A 40 -2.999 -13.478 7.767 1.00 0.00 C ATOM 615 CD2 LEU A 40 -3.350 -15.462 6.291 1.00 0.00 C ATOM 0 H LEU A 40 -4.503 -11.981 3.868 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.353 -14.772 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.901 -12.340 6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.564 -13.873 6.803 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.799 -13.515 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.992 -13.846 7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.002 -12.389 7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.682 -13.874 8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.326 -15.773 6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.022 -15.912 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.631 -15.789 5.290 1.00 0.00 H new ATOM 627 N VAL A 41 -7.412 -13.730 3.351 1.00 0.00 N ATOM 628 CA VAL A 41 -8.733 -13.326 2.874 1.00 0.00 C ATOM 629 C VAL A 41 -9.735 -13.189 4.034 1.00 0.00 C ATOM 630 O VAL A 41 -10.012 -14.160 4.741 1.00 0.00 O ATOM 631 CB VAL A 41 -9.231 -14.306 1.783 1.00 0.00 C ATOM 632 CG1 VAL A 41 -10.444 -13.721 1.044 1.00 0.00 C ATOM 633 CG2 VAL A 41 -8.146 -14.648 0.743 1.00 0.00 C ATOM 0 H VAL A 41 -6.983 -14.456 2.777 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.650 -12.338 2.421 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.504 -15.223 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.779 -14.424 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.252 -13.543 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.163 -12.780 0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.554 -15.338 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.819 -13.735 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.296 -15.113 1.243 1.00 0.00 H new ATOM 643 N GLY A 42 -10.278 -11.981 4.215 1.00 0.00 N ATOM 644 CA GLY A 42 -11.363 -11.730 5.158 1.00 0.00 C ATOM 645 C GLY A 42 -10.976 -11.767 6.642 1.00 0.00 C ATOM 646 O GLY A 42 -11.877 -11.720 7.483 1.00 0.00 O ATOM 0 H GLY A 42 -9.974 -11.150 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.793 -10.753 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.146 -12.468 4.987 1.00 0.00 H new ATOM 650 N LYS A 43 -9.687 -11.843 7.007 1.00 0.00 N ATOM 651 CA LYS A 43 -9.281 -11.937 8.424 1.00 0.00 C ATOM 652 C LYS A 43 -9.411 -10.616 9.181 1.00 0.00 C ATOM 653 O LYS A 43 -9.235 -10.613 10.402 1.00 0.00 O ATOM 654 CB LYS A 43 -7.852 -12.509 8.559 1.00 0.00 C ATOM 655 CG LYS A 43 -7.847 -14.035 8.749 1.00 0.00 C ATOM 656 CD LYS A 43 -8.556 -14.772 7.606 1.00 0.00 C ATOM 657 CE LYS A 43 -8.646 -16.293 7.813 1.00 0.00 C ATOM 658 NZ LYS A 43 -7.328 -16.980 7.803 1.00 0.00 N ATOM 0 H LYS A 43 -8.909 -11.841 6.347 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.982 -12.629 8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.276 -12.254 7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.354 -12.038 9.407 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.817 -14.386 8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.333 -14.282 9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.563 -14.369 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.028 -14.572 6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.141 -16.492 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.274 -16.720 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.467 -18.000 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.861 -16.821 6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.733 -16.600 8.566 1.00 0.00 H new ATOM 672 N GLY A 44 -9.723 -9.508 8.509 1.00 0.00 N ATOM 673 CA GLY A 44 -9.653 -8.193 9.122 1.00 0.00 C ATOM 674 C GLY A 44 -8.204 -7.717 9.197 1.00 0.00 C ATOM 675 O GLY A 44 -7.262 -8.454 8.889 1.00 0.00 O ATOM 0 H GLY A 44 -10.027 -9.501 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.246 -7.484 8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.083 -8.228 10.123 1.00 0.00 H new ATOM 679 N ALA A 45 -8.039 -6.457 9.587 1.00 0.00 N ATOM 680 CA ALA A 45 -6.721 -5.881 9.833 1.00 0.00 C ATOM 681 C ALA A 45 -6.164 -6.384 11.173 1.00 0.00 C ATOM 682 O ALA A 45 -6.917 -6.785 12.066 1.00 0.00 O ATOM 683 CB ALA A 45 -6.790 -4.350 9.799 1.00 0.00 C ATOM 0 H ALA A 45 -8.811 -5.809 9.741 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.042 -6.202 9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.798 -3.937 9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.142 -4.023 8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.479 -4.000 10.568 1.00 0.00 H new ATOM 689 N ASP A 46 -4.840 -6.341 11.314 1.00 0.00 N ATOM 690 CA ASP A 46 -4.151 -6.755 12.532 1.00 0.00 C ATOM 691 C ASP A 46 -4.428 -5.744 13.656 1.00 0.00 C ATOM 692 O ASP A 46 -4.288 -4.540 13.414 1.00 0.00 O ATOM 693 CB ASP A 46 -2.641 -6.845 12.281 1.00 0.00 C ATOM 694 CG ASP A 46 -1.936 -7.429 13.513 1.00 0.00 C ATOM 695 OD1 ASP A 46 -1.603 -6.650 14.431 1.00 0.00 O ATOM 696 OD2 ASP A 46 -1.737 -8.663 13.568 1.00 0.00 O ATOM 0 H ASP A 46 -4.212 -6.015 10.579 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.521 -7.737 12.829 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.446 -7.471 11.410 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.242 -5.855 12.059 1.00 0.00 H new ATOM 701 N PRO A 47 -4.788 -6.172 14.881 1.00 0.00 N ATOM 702 CA PRO A 47 -5.028 -5.273 16.008 1.00 0.00 C ATOM 703 C PRO A 47 -3.909 -4.262 16.278 1.00 0.00 C ATOM 704 O PRO A 47 -4.192 -3.156 16.739 1.00 0.00 O ATOM 705 CB PRO A 47 -5.242 -6.181 17.222 1.00 0.00 C ATOM 706 CG PRO A 47 -5.804 -7.460 16.608 1.00 0.00 C ATOM 707 CD PRO A 47 -5.077 -7.546 15.268 1.00 0.00 C ATOM 0 HA PRO A 47 -5.891 -4.646 15.782 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.310 -6.367 17.755 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.936 -5.739 17.937 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.603 -8.330 17.233 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.885 -7.404 16.478 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.159 -8.127 15.358 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.696 -8.041 14.519 1.00 0.00 H new ATOM 715 N THR A 48 -2.651 -4.600 15.995 1.00 0.00 N ATOM 716 CA THR A 48 -1.525 -3.713 16.258 1.00 0.00 C ATOM 717 C THR A 48 -1.531 -2.586 15.223 1.00 0.00 C ATOM 718 O THR A 48 -1.339 -1.425 15.580 1.00 0.00 O ATOM 719 CB THR A 48 -0.196 -4.498 16.205 1.00 0.00 C ATOM 720 OG1 THR A 48 -0.363 -5.849 16.591 1.00 0.00 O ATOM 721 CG2 THR A 48 0.873 -3.850 17.089 1.00 0.00 C ATOM 0 H THR A 48 -2.388 -5.493 15.579 1.00 0.00 H new ATOM 0 HA THR A 48 -1.619 -3.287 17.257 1.00 0.00 H new ATOM 0 HB THR A 48 0.133 -4.471 15.166 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.528 -6.398 15.796 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.795 -4.428 17.028 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.060 -2.832 16.747 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.526 -3.828 18.122 1.00 0.00 H new ATOM 729 N ALA A 49 -1.826 -2.914 13.958 1.00 0.00 N ATOM 730 CA ALA A 49 -1.943 -1.923 12.902 1.00 0.00 C ATOM 731 C ALA A 49 -3.109 -0.980 13.198 1.00 0.00 C ATOM 732 O ALA A 49 -2.949 0.234 13.097 1.00 0.00 O ATOM 733 CB ALA A 49 -2.134 -2.642 11.563 1.00 0.00 C ATOM 0 H ALA A 49 -1.988 -3.872 13.648 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.035 -1.322 12.850 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.223 -1.906 10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.276 -3.285 11.370 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.040 -3.247 11.601 1.00 0.00 H new ATOM 739 N ILE A 50 -4.258 -1.526 13.618 1.00 0.00 N ATOM 740 CA ILE A 50 -5.417 -0.728 14.014 1.00 0.00 C ATOM 741 C ILE A 50 -5.014 0.192 15.177 1.00 0.00 C ATOM 742 O ILE A 50 -5.304 1.384 15.129 1.00 0.00 O ATOM 743 CB ILE A 50 -6.612 -1.644 14.382 1.00 0.00 C ATOM 744 CG1 ILE A 50 -7.070 -2.507 13.180 1.00 0.00 C ATOM 745 CG2 ILE A 50 -7.811 -0.820 14.898 1.00 0.00 C ATOM 746 CD1 ILE A 50 -8.025 -3.647 13.565 1.00 0.00 C ATOM 0 H ILE A 50 -4.406 -2.533 13.691 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.745 -0.107 13.180 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.261 -2.306 15.174 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.562 -1.865 12.449 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.192 -2.930 12.692 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.633 -1.491 15.148 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.514 -0.263 15.787 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.134 -0.123 14.124 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.302 -4.207 12.672 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.530 -4.313 14.272 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.921 -3.231 14.025 1.00 0.00 H new ATOM 758 N SER A 51 -4.333 -0.327 16.202 1.00 0.00 N ATOM 759 CA SER A 51 -3.987 0.453 17.388 1.00 0.00 C ATOM 760 C SER A 51 -3.004 1.579 17.052 1.00 0.00 C ATOM 761 O SER A 51 -3.165 2.700 17.536 1.00 0.00 O ATOM 762 CB SER A 51 -3.417 -0.471 18.472 1.00 0.00 C ATOM 763 OG SER A 51 -4.345 -1.486 18.816 1.00 0.00 O ATOM 0 H SER A 51 -4.009 -1.294 16.231 1.00 0.00 H new ATOM 0 HA SER A 51 -4.895 0.922 17.767 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.491 -0.925 18.118 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.167 0.113 19.358 1.00 0.00 H new ATOM 0 HG SER A 51 -4.255 -2.237 18.192 1.00 0.00 H new ATOM 769 N VAL A 52 -1.998 1.318 16.214 1.00 0.00 N ATOM 770 CA VAL A 52 -1.067 2.350 15.774 1.00 0.00 C ATOM 771 C VAL A 52 -1.805 3.375 14.907 1.00 0.00 C ATOM 772 O VAL A 52 -1.578 4.572 15.072 1.00 0.00 O ATOM 773 CB VAL A 52 0.145 1.693 15.082 1.00 0.00 C ATOM 774 CG1 VAL A 52 1.039 2.689 14.333 1.00 0.00 C ATOM 775 CG2 VAL A 52 1.006 0.989 16.144 1.00 0.00 C ATOM 0 H VAL A 52 -1.810 0.393 15.827 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.668 2.904 16.624 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.258 0.996 14.347 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.870 2.156 13.872 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.457 3.191 13.561 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.426 3.429 15.034 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.866 0.521 15.664 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.352 1.720 16.875 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.412 0.226 16.647 1.00 0.00 H new ATOM 785 N ALA A 53 -2.732 2.956 14.038 1.00 0.00 N ATOM 786 CA ALA A 53 -3.513 3.898 13.248 1.00 0.00 C ATOM 787 C ALA A 53 -4.395 4.763 14.157 1.00 0.00 C ATOM 788 O ALA A 53 -4.497 5.968 13.934 1.00 0.00 O ATOM 789 CB ALA A 53 -4.342 3.144 12.210 1.00 0.00 C ATOM 0 H ALA A 53 -2.955 1.975 13.869 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.836 4.569 12.718 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.924 3.855 11.623 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.678 2.585 11.550 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.017 2.453 12.715 1.00 0.00 H new ATOM 795 N ALA A 54 -4.976 4.181 15.212 1.00 0.00 N ATOM 796 CA ALA A 54 -5.800 4.908 16.168 1.00 0.00 C ATOM 797 C ALA A 54 -4.983 5.939 16.952 1.00 0.00 C ATOM 798 O ALA A 54 -5.523 6.986 17.309 1.00 0.00 O ATOM 799 CB ALA A 54 -6.484 3.924 17.122 1.00 0.00 C ATOM 0 H ALA A 54 -4.884 3.187 15.422 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.561 5.454 15.610 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.098 4.475 17.834 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.114 3.242 16.551 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.727 3.354 17.661 1.00 0.00 H new ATOM 805 N GLU A 55 -3.683 5.701 17.169 1.00 0.00 N ATOM 806 CA GLU A 55 -2.781 6.692 17.763 1.00 0.00 C ATOM 807 C GLU A 55 -2.687 7.965 16.898 1.00 0.00 C ATOM 808 O GLU A 55 -2.422 9.049 17.420 1.00 0.00 O ATOM 809 CB GLU A 55 -1.397 6.058 17.988 1.00 0.00 C ATOM 810 CG GLU A 55 -0.541 6.840 18.995 1.00 0.00 C ATOM 811 CD GLU A 55 0.838 6.192 19.206 1.00 0.00 C ATOM 812 OE1 GLU A 55 0.894 4.990 19.555 1.00 0.00 O ATOM 813 OE2 GLU A 55 1.871 6.884 19.054 1.00 0.00 O ATOM 0 H GLU A 55 -3.229 4.817 16.938 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.186 7.000 18.727 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.524 5.035 18.343 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.869 6.001 17.036 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.410 7.863 18.642 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.065 6.896 19.949 1.00 0.00 H new ATOM 820 N HIS A 56 -2.994 7.854 15.600 1.00 0.00 N ATOM 821 CA HIS A 56 -3.061 8.951 14.637 1.00 0.00 C ATOM 822 C HIS A 56 -4.506 9.178 14.155 1.00 0.00 C ATOM 823 O HIS A 56 -4.726 9.858 13.150 1.00 0.00 O ATOM 824 CB HIS A 56 -2.095 8.653 13.479 1.00 0.00 C ATOM 825 CG HIS A 56 -0.668 8.448 13.932 1.00 0.00 C ATOM 826 ND1 HIS A 56 0.194 9.419 14.396 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.001 7.256 13.993 1.00 0.00 C ATOM 828 CE1 HIS A 56 1.351 8.822 14.728 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.286 7.497 14.500 1.00 0.00 N ATOM 0 H HIS A 56 -3.212 6.952 15.176 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.753 9.882 15.113 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -2.434 7.761 12.952 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.128 9.476 12.766 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.393 6.294 13.701 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.215 9.335 15.124 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.021 6.809 14.663 1.00 0.00 H new ATOM 837 N GLN A 57 -5.485 8.621 14.880 1.00 0.00 N ATOM 838 CA GLN A 57 -6.916 8.737 14.597 1.00 0.00 C ATOM 839 C GLN A 57 -7.274 8.433 13.140 1.00 0.00 C ATOM 840 O GLN A 57 -8.051 9.151 12.505 1.00 0.00 O ATOM 841 CB GLN A 57 -7.490 10.067 15.136 1.00 0.00 C ATOM 842 CG GLN A 57 -7.340 10.261 16.657 1.00 0.00 C ATOM 843 CD GLN A 57 -5.925 10.657 17.089 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.450 11.754 16.803 1.00 0.00 O ATOM 845 NE2 GLN A 57 -5.213 9.776 17.770 1.00 0.00 N ATOM 0 H GLN A 57 -5.292 8.058 15.708 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.421 7.947 15.152 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.995 10.894 14.627 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.548 10.122 14.879 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.040 11.029 16.987 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.619 9.336 17.162 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.614 8.868 18.004 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.263 10.004 18.062 1.00 0.00 H new ATOM 854 N LEU A 58 -6.697 7.347 12.624 1.00 0.00 N ATOM 855 CA LEU A 58 -7.095 6.763 11.352 1.00 0.00 C ATOM 856 C LEU A 58 -7.643 5.379 11.709 1.00 0.00 C ATOM 857 O LEU A 58 -7.214 4.788 12.704 1.00 0.00 O ATOM 858 CB LEU A 58 -5.910 6.685 10.371 1.00 0.00 C ATOM 859 CG LEU A 58 -6.256 7.189 8.957 1.00 0.00 C ATOM 860 CD1 LEU A 58 -5.061 6.943 8.028 1.00 0.00 C ATOM 861 CD2 LEU A 58 -7.512 6.541 8.356 1.00 0.00 C ATOM 0 H LEU A 58 -5.935 6.848 13.084 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.843 7.367 10.838 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.081 7.272 10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.567 5.652 10.307 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.474 8.253 9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.300 7.298 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.191 7.480 8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.841 5.876 7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.690 6.947 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.368 5.463 8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.371 6.753 8.993 1.00 0.00 H new ATOM 873 N SER A 59 -8.562 4.845 10.908 1.00 0.00 N ATOM 874 CA SER A 59 -9.308 3.649 11.268 1.00 0.00 C ATOM 875 C SER A 59 -9.133 2.582 10.180 1.00 0.00 C ATOM 876 O SER A 59 -9.743 2.675 9.111 1.00 0.00 O ATOM 877 CB SER A 59 -10.786 4.024 11.480 1.00 0.00 C ATOM 878 OG SER A 59 -10.921 5.101 12.398 1.00 0.00 O ATOM 0 H SER A 59 -8.807 5.230 9.996 1.00 0.00 H new ATOM 0 HA SER A 59 -8.929 3.228 12.199 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.234 4.299 10.525 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.333 3.157 11.850 1.00 0.00 H new ATOM 0 HG SER A 59 -11.870 5.318 12.511 1.00 0.00 H new ATOM 884 N LEU A 60 -8.303 1.565 10.448 1.00 0.00 N ATOM 885 CA LEU A 60 -8.170 0.384 9.574 1.00 0.00 C ATOM 886 C LEU A 60 -9.146 -0.727 10.009 1.00 0.00 C ATOM 887 O LEU A 60 -9.079 -1.843 9.495 1.00 0.00 O ATOM 888 CB LEU A 60 -6.741 -0.213 9.624 1.00 0.00 C ATOM 889 CG LEU A 60 -5.534 0.730 9.769 1.00 0.00 C ATOM 890 CD1 LEU A 60 -4.249 -0.100 9.758 1.00 0.00 C ATOM 891 CD2 LEU A 60 -5.451 1.813 8.693 1.00 0.00 C ATOM 0 H LEU A 60 -7.705 1.534 11.274 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.392 0.725 8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.709 -0.916 10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.596 -0.792 8.712 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.663 1.255 10.715 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.388 0.561 9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.265 -0.806 10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.177 -0.647 8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.572 2.434 8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.375 1.345 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.347 2.433 8.731 1.00 0.00 H new ATOM 903 N GLU A 61 -10.020 -0.426 10.979 1.00 0.00 N ATOM 904 CA GLU A 61 -10.844 -1.407 11.682 1.00 0.00 C ATOM 905 C GLU A 61 -11.615 -2.368 10.770 1.00 0.00 C ATOM 906 O GLU A 61 -11.694 -3.557 11.087 1.00 0.00 O ATOM 907 CB GLU A 61 -11.777 -0.652 12.645 1.00 0.00 C ATOM 908 CG GLU A 61 -12.518 -1.580 13.618 1.00 0.00 C ATOM 909 CD GLU A 61 -13.364 -0.783 14.626 1.00 0.00 C ATOM 910 OE1 GLU A 61 -14.530 -0.445 14.317 1.00 0.00 O ATOM 911 OE2 GLU A 61 -12.883 -0.502 15.747 1.00 0.00 O ATOM 0 H GLU A 61 -10.174 0.530 11.301 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.174 -2.065 12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.193 0.071 13.215 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.506 -0.086 12.066 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.162 -2.257 13.057 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.797 -2.197 14.154 1.00 0.00 H new ATOM 918 N GLY A 62 -12.157 -1.894 9.641 1.00 0.00 N ATOM 919 CA GLY A 62 -13.030 -2.696 8.788 1.00 0.00 C ATOM 920 C GLY A 62 -12.429 -2.960 7.409 1.00 0.00 C ATOM 921 O GLY A 62 -13.186 -3.175 6.460 1.00 0.00 O ATOM 0 H GLY A 62 -12.001 -0.946 9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.235 -3.648 9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -13.986 -2.185 8.671 1.00 0.00 H new ATOM 925 N HIS A 63 -11.098 -2.905 7.262 1.00 0.00 N ATOM 926 CA HIS A 63 -10.446 -3.356 6.040 1.00 0.00 C ATOM 927 C HIS A 63 -10.691 -4.867 5.889 1.00 0.00 C ATOM 928 O HIS A 63 -10.752 -5.591 6.887 1.00 0.00 O ATOM 929 CB HIS A 63 -8.944 -3.023 6.063 1.00 0.00 C ATOM 930 CG HIS A 63 -8.269 -3.392 4.764 1.00 0.00 C ATOM 931 ND1 HIS A 63 -8.198 -2.615 3.628 1.00 0.00 N ATOM 932 CD2 HIS A 63 -7.774 -4.629 4.434 1.00 0.00 C ATOM 933 CE1 HIS A 63 -7.719 -3.381 2.638 1.00 0.00 C ATOM 934 NE2 HIS A 63 -7.431 -4.621 3.077 1.00 0.00 N ATOM 0 H HIS A 63 -10.460 -2.553 7.975 1.00 0.00 H new ATOM 0 HA HIS A 63 -10.867 -2.836 5.179 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -8.811 -1.958 6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.466 -3.555 6.885 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -8.463 -1.633 3.554 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.667 -5.467 5.107 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.582 -3.047 1.620 1.00 0.00 H new ATOM 942 N CYS A 64 -10.770 -5.344 4.644 1.00 0.00 N ATOM 943 CA CYS A 64 -11.039 -6.741 4.330 1.00 0.00 C ATOM 944 C CYS A 64 -9.952 -7.224 3.368 1.00 0.00 C ATOM 945 O CYS A 64 -9.986 -6.904 2.175 1.00 0.00 O ATOM 946 CB CYS A 64 -12.442 -6.869 3.725 1.00 0.00 C ATOM 947 SG CYS A 64 -13.715 -6.525 4.977 1.00 0.00 S ATOM 0 H CYS A 64 -10.647 -4.759 3.818 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.017 -7.362 5.226 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.548 -6.176 2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.581 -7.873 3.324 1.00 0.00 H new ATOM 0 HG CYS A 64 -14.893 -6.638 4.440 1.00 0.00 H new ATOM 953 N ALA A 65 -8.971 -7.952 3.908 1.00 0.00 N ATOM 954 CA ALA A 65 -7.839 -8.457 3.139 1.00 0.00 C ATOM 955 C ALA A 65 -8.283 -9.472 2.078 1.00 0.00 C ATOM 956 O ALA A 65 -9.336 -10.099 2.224 1.00 0.00 O ATOM 957 CB ALA A 65 -6.833 -9.089 4.111 1.00 0.00 C ATOM 0 H ALA A 65 -8.943 -8.207 4.895 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.372 -7.629 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.979 -9.472 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.493 -8.337 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.312 -9.907 4.649 1.00 0.00 H new ATOM 963 N ARG A 66 -7.471 -9.654 1.031 1.00 0.00 N ATOM 964 CA ARG A 66 -7.751 -10.568 -0.083 1.00 0.00 C ATOM 965 C ARG A 66 -6.459 -10.823 -0.861 1.00 0.00 C ATOM 966 O ARG A 66 -5.570 -9.970 -0.870 1.00 0.00 O ATOM 967 CB ARG A 66 -8.842 -9.978 -1.000 1.00 0.00 C ATOM 968 CG ARG A 66 -8.396 -8.723 -1.774 1.00 0.00 C ATOM 969 CD ARG A 66 -9.594 -7.855 -2.168 1.00 0.00 C ATOM 970 NE ARG A 66 -10.110 -7.119 -0.998 1.00 0.00 N ATOM 971 CZ ARG A 66 -10.653 -5.901 -1.036 1.00 0.00 C ATOM 972 NH1 ARG A 66 -11.041 -5.343 -2.178 1.00 0.00 N ATOM 973 NH2 ARG A 66 -10.795 -5.214 0.087 1.00 0.00 N ATOM 0 H ARG A 66 -6.584 -9.161 0.932 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.122 -11.516 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.155 -10.741 -1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.715 -9.729 -0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.709 -8.140 -1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.850 -9.021 -2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.299 -7.151 -2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.382 -8.481 -2.587 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.047 -7.577 -0.089 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.927 -5.848 -3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.453 -4.410 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.490 -5.617 0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.209 -4.282 0.066 1.00 0.00 H new ATOM 987 N GLN A 67 -6.324 -11.986 -1.501 1.00 0.00 N ATOM 988 CA GLN A 67 -5.120 -12.293 -2.264 1.00 0.00 C ATOM 989 C GLN A 67 -5.123 -11.478 -3.554 1.00 0.00 C ATOM 990 O GLN A 67 -6.182 -11.209 -4.125 1.00 0.00 O ATOM 991 CB GLN A 67 -4.995 -13.807 -2.513 1.00 0.00 C ATOM 992 CG GLN A 67 -3.544 -14.192 -2.858 1.00 0.00 C ATOM 993 CD GLN A 67 -3.319 -15.687 -3.098 1.00 0.00 C ATOM 994 OE1 GLN A 67 -4.246 -16.483 -3.228 1.00 0.00 O ATOM 995 NE2 GLN A 67 -2.064 -16.098 -3.164 1.00 0.00 N ATOM 0 H GLN A 67 -7.029 -12.723 -1.505 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.237 -12.010 -1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.319 -14.353 -1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.657 -14.101 -3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.240 -13.645 -3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.893 -13.866 -2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.302 -15.429 -3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.858 -17.084 -3.324 1.00 0.00 H new ATOM 1004 N ILE A 68 -3.929 -11.088 -4.002 1.00 0.00 N ATOM 1005 CA ILE A 68 -3.756 -10.500 -5.314 1.00 0.00 C ATOM 1006 C ILE A 68 -4.208 -11.534 -6.353 1.00 0.00 C ATOM 1007 O ILE A 68 -3.901 -12.725 -6.242 1.00 0.00 O ATOM 1008 CB ILE A 68 -2.298 -10.012 -5.497 1.00 0.00 C ATOM 1009 CG1 ILE A 68 -2.124 -9.151 -6.767 1.00 0.00 C ATOM 1010 CG2 ILE A 68 -1.275 -11.158 -5.532 1.00 0.00 C ATOM 1011 CD1 ILE A 68 -2.880 -7.819 -6.716 1.00 0.00 C ATOM 0 H ILE A 68 -3.066 -11.173 -3.464 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.370 -9.609 -5.443 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.100 -9.402 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.063 -8.951 -6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.467 -9.720 -7.631 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.274 -10.748 -5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.320 -11.715 -4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.505 -11.826 -6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.711 -7.269 -7.642 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.947 -8.010 -6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.521 -7.229 -5.873 1.00 0.00 H new ATOM 1023 N SER A 69 -4.926 -11.051 -7.359 1.00 0.00 N ATOM 1024 CA SER A 69 -5.409 -11.850 -8.472 1.00 0.00 C ATOM 1025 C SER A 69 -5.304 -10.950 -9.704 1.00 0.00 C ATOM 1026 O SER A 69 -5.440 -9.730 -9.584 1.00 0.00 O ATOM 1027 CB SER A 69 -6.856 -12.286 -8.176 1.00 0.00 C ATOM 1028 OG SER A 69 -6.900 -13.239 -7.125 1.00 0.00 O ATOM 0 H SER A 69 -5.194 -10.069 -7.423 1.00 0.00 H new ATOM 0 HA SER A 69 -4.835 -12.762 -8.635 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.453 -11.415 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.302 -12.711 -9.075 1.00 0.00 H new ATOM 0 HG SER A 69 -7.830 -13.497 -6.956 1.00 0.00 H new ATOM 1034 N ARG A 70 -5.052 -11.506 -10.892 1.00 0.00 N ATOM 1035 CA ARG A 70 -4.742 -10.689 -12.073 1.00 0.00 C ATOM 1036 C ARG A 70 -5.911 -9.789 -12.485 1.00 0.00 C ATOM 1037 O ARG A 70 -5.682 -8.706 -13.022 1.00 0.00 O ATOM 1038 CB ARG A 70 -4.232 -11.600 -13.203 1.00 0.00 C ATOM 1039 CG ARG A 70 -3.575 -10.834 -14.366 1.00 0.00 C ATOM 1040 CD ARG A 70 -2.691 -11.801 -15.162 1.00 0.00 C ATOM 1041 NE ARG A 70 -2.123 -11.191 -16.376 1.00 0.00 N ATOM 1042 CZ ARG A 70 -1.149 -11.720 -17.123 1.00 0.00 C ATOM 1043 NH1 ARG A 70 -0.393 -12.716 -16.668 1.00 0.00 N ATOM 1044 NH2 ARG A 70 -0.944 -11.219 -18.333 1.00 0.00 N ATOM 0 H ARG A 70 -5.056 -12.511 -11.063 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.942 -9.991 -11.825 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.511 -12.306 -12.791 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.066 -12.185 -13.590 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.339 -10.403 -15.013 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.978 -10.006 -13.983 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.880 -12.152 -14.524 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.278 -12.676 -15.442 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.504 -10.292 -16.671 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.552 -13.090 -15.733 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.345 -13.105 -17.255 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.522 -10.450 -18.671 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.208 -11.602 -18.926 1.00 0.00 H new ATOM 1058 N ARG A 71 -7.156 -10.168 -12.169 1.00 0.00 N ATOM 1059 CA ARG A 71 -8.309 -9.280 -12.333 1.00 0.00 C ATOM 1060 C ARG A 71 -8.135 -8.004 -11.508 1.00 0.00 C ATOM 1061 O ARG A 71 -8.394 -6.920 -12.024 1.00 0.00 O ATOM 1062 CB ARG A 71 -9.603 -10.032 -11.969 1.00 0.00 C ATOM 1063 CG ARG A 71 -10.865 -9.210 -12.278 1.00 0.00 C ATOM 1064 CD ARG A 71 -12.130 -10.018 -11.976 1.00 0.00 C ATOM 1065 NE ARG A 71 -13.351 -9.243 -12.265 1.00 0.00 N ATOM 1066 CZ ARG A 71 -14.609 -9.677 -12.101 1.00 0.00 C ATOM 1067 NH1 ARG A 71 -14.850 -10.904 -11.644 1.00 0.00 N ATOM 1068 NH2 ARG A 71 -15.626 -8.875 -12.399 1.00 0.00 N ATOM 0 H ARG A 71 -7.389 -11.089 -11.797 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.381 -8.974 -13.377 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.641 -10.972 -12.520 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.587 -10.284 -10.909 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.863 -8.295 -11.685 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -10.861 -8.910 -13.326 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.129 -10.932 -12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.129 -10.319 -10.928 1.00 0.00 H new ATOM 0 HE ARG A 71 -13.228 -8.295 -12.620 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -14.074 -11.524 -11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.811 -11.224 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -15.448 -7.934 -12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -16.585 -9.200 -12.276 1.00 0.00 H new ATOM 1082 N LEU A 72 -7.659 -8.098 -10.259 1.00 0.00 N ATOM 1083 CA LEU A 72 -7.373 -6.915 -9.448 1.00 0.00 C ATOM 1084 C LEU A 72 -6.254 -6.115 -10.107 1.00 0.00 C ATOM 1085 O LEU A 72 -6.395 -4.904 -10.223 1.00 0.00 O ATOM 1086 CB LEU A 72 -7.000 -7.263 -7.992 1.00 0.00 C ATOM 1087 CG LEU A 72 -8.165 -7.832 -7.159 1.00 0.00 C ATOM 1088 CD1 LEU A 72 -7.627 -8.455 -5.866 1.00 0.00 C ATOM 1089 CD2 LEU A 72 -9.204 -6.766 -6.791 1.00 0.00 C ATOM 0 H LEU A 72 -7.465 -8.983 -9.791 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.284 -6.319 -9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.187 -7.988 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.622 -6.366 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.655 -8.583 -7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.456 -8.855 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.934 -9.260 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.108 -7.694 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.002 -7.222 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.727 -5.980 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.623 -6.337 -7.701 1.00 0.00 H new ATOM 1101 N CYS A 73 -5.196 -6.755 -10.616 1.00 0.00 N ATOM 1102 CA CYS A 73 -4.129 -6.036 -11.316 1.00 0.00 C ATOM 1103 C CYS A 73 -4.661 -5.202 -12.497 1.00 0.00 C ATOM 1104 O CYS A 73 -4.101 -4.148 -12.793 1.00 0.00 O ATOM 1105 CB CYS A 73 -3.044 -7.005 -11.809 1.00 0.00 C ATOM 1106 SG CYS A 73 -2.420 -8.046 -10.458 1.00 0.00 S ATOM 0 H CYS A 73 -5.057 -7.764 -10.556 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.693 -5.347 -10.592 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.450 -7.637 -12.599 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.220 -6.440 -12.245 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.392 -8.764 -9.979 1.00 0.00 H new ATOM 1112 N ARG A 74 -5.734 -5.646 -13.164 1.00 0.00 N ATOM 1113 CA ARG A 74 -6.374 -4.883 -14.243 1.00 0.00 C ATOM 1114 C ARG A 74 -7.343 -3.821 -13.711 1.00 0.00 C ATOM 1115 O ARG A 74 -7.565 -2.816 -14.387 1.00 0.00 O ATOM 1116 CB ARG A 74 -7.121 -5.849 -15.178 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.151 -6.733 -15.975 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.902 -7.770 -16.814 1.00 0.00 C ATOM 1119 NE ARG A 74 -5.957 -8.561 -17.615 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.173 -9.764 -18.155 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.365 -10.351 -18.071 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -5.171 -10.369 -18.779 1.00 0.00 N ATOM 0 H ARG A 74 -6.182 -6.542 -12.971 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.589 -4.359 -14.789 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.789 -6.479 -14.591 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.744 -5.279 -15.867 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.540 -6.109 -16.627 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.472 -7.240 -15.290 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.476 -8.428 -16.162 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.615 -7.270 -17.470 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.038 -8.148 -17.776 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.132 -9.882 -17.588 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.512 -11.270 -18.489 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.259 -9.915 -18.839 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.312 -11.288 -19.199 1.00 0.00 H new ATOM 1136 N ASN A 75 -7.942 -4.034 -12.536 1.00 0.00 N ATOM 1137 CA ASN A 75 -9.007 -3.191 -11.987 1.00 0.00 C ATOM 1138 C ASN A 75 -8.514 -1.823 -11.491 1.00 0.00 C ATOM 1139 O ASN A 75 -9.333 -0.933 -11.238 1.00 0.00 O ATOM 1140 CB ASN A 75 -9.725 -3.938 -10.853 1.00 0.00 C ATOM 1141 CG ASN A 75 -11.007 -3.225 -10.423 1.00 0.00 C ATOM 1142 OD1 ASN A 75 -11.880 -2.945 -11.240 1.00 0.00 O ATOM 1143 ND2 ASN A 75 -11.174 -2.950 -9.139 1.00 0.00 N ATOM 0 H ASN A 75 -7.695 -4.814 -11.927 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.698 -2.987 -12.805 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.964 -4.950 -11.180 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.056 -4.029 -9.997 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.033 -2.502 -8.821 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.443 -3.186 -8.468 1.00 0.00 H new ATOM 1150 N TYR A 76 -7.197 -1.631 -11.358 1.00 0.00 N ATOM 1151 CA TYR A 76 -6.619 -0.364 -10.916 1.00 0.00 C ATOM 1152 C TYR A 76 -5.539 0.078 -11.903 1.00 0.00 C ATOM 1153 O TYR A 76 -4.969 -0.748 -12.619 1.00 0.00 O ATOM 1154 CB TYR A 76 -6.115 -0.468 -9.462 1.00 0.00 C ATOM 1155 CG TYR A 76 -7.115 -1.066 -8.481 1.00 0.00 C ATOM 1156 CD1 TYR A 76 -7.143 -2.460 -8.315 1.00 0.00 C ATOM 1157 CD2 TYR A 76 -8.017 -0.272 -7.744 1.00 0.00 C ATOM 1158 CE1 TYR A 76 -8.093 -3.076 -7.487 1.00 0.00 C ATOM 1159 CE2 TYR A 76 -8.979 -0.875 -6.913 1.00 0.00 C ATOM 1160 CZ TYR A 76 -9.031 -2.281 -6.793 1.00 0.00 C ATOM 1161 OH TYR A 76 -10.006 -2.858 -6.041 1.00 0.00 O ATOM 0 H TYR A 76 -6.504 -2.353 -11.555 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.385 0.411 -10.909 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.208 -1.073 -9.449 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.839 0.528 -9.116 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.419 -3.070 -8.835 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.969 0.804 -7.818 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.107 -4.151 -7.381 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.679 -0.261 -6.366 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.561 -2.160 -5.634 1.00 0.00 H new ATOM 1171 N ASP A 77 -5.269 1.386 -11.951 1.00 0.00 N ATOM 1172 CA ASP A 77 -4.432 1.988 -12.995 1.00 0.00 C ATOM 1173 C ASP A 77 -3.031 2.345 -12.491 1.00 0.00 C ATOM 1174 O ASP A 77 -2.192 2.819 -13.256 1.00 0.00 O ATOM 1175 CB ASP A 77 -5.146 3.218 -13.576 1.00 0.00 C ATOM 1176 CG ASP A 77 -4.431 3.785 -14.818 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -4.094 3.006 -15.740 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -4.265 5.022 -14.903 1.00 0.00 O ATOM 0 H ASP A 77 -5.623 2.057 -11.269 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.289 1.247 -13.782 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.168 2.949 -13.841 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.208 3.993 -12.812 1.00 0.00 H new ATOM 1183 N LEU A 78 -2.741 2.095 -11.214 1.00 0.00 N ATOM 1184 CA LEU A 78 -1.412 2.242 -10.639 1.00 0.00 C ATOM 1185 C LEU A 78 -1.328 1.201 -9.529 1.00 0.00 C ATOM 1186 O LEU A 78 -2.243 1.104 -8.709 1.00 0.00 O ATOM 1187 CB LEU A 78 -1.244 3.694 -10.146 1.00 0.00 C ATOM 1188 CG LEU A 78 0.190 4.244 -10.026 1.00 0.00 C ATOM 1189 CD1 LEU A 78 0.974 3.620 -8.874 1.00 0.00 C ATOM 1190 CD2 LEU A 78 0.986 4.119 -11.331 1.00 0.00 C ATOM 0 H LEU A 78 -3.439 1.779 -10.541 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.600 2.072 -11.346 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.798 4.345 -10.822 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.718 3.774 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 78 0.063 5.304 -9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.976 4.048 -8.842 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.462 3.823 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.045 2.543 -9.023 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.988 4.523 -11.186 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.055 3.069 -11.616 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.481 4.676 -12.120 1.00 0.00 H new ATOM 1202 N ILE A 79 -0.272 0.391 -9.524 1.00 0.00 N ATOM 1203 CA ILE A 79 -0.129 -0.722 -8.594 1.00 0.00 C ATOM 1204 C ILE A 79 1.171 -0.445 -7.847 1.00 0.00 C ATOM 1205 O ILE A 79 2.157 -0.019 -8.455 1.00 0.00 O ATOM 1206 CB ILE A 79 -0.093 -2.076 -9.345 1.00 0.00 C ATOM 1207 CG1 ILE A 79 -1.207 -2.266 -10.403 1.00 0.00 C ATOM 1208 CG2 ILE A 79 -0.105 -3.253 -8.351 1.00 0.00 C ATOM 1209 CD1 ILE A 79 -2.642 -2.312 -9.872 1.00 0.00 C ATOM 0 H ILE A 79 0.512 0.490 -10.169 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.972 -0.799 -7.908 1.00 0.00 H new ATOM 0 HB ILE A 79 0.844 -2.060 -9.902 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.135 -1.454 -11.126 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.012 -3.192 -10.944 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.079 -4.194 -8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.767 -3.189 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.012 -3.210 -7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.333 -2.448 -10.704 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.745 -3.143 -9.174 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.870 -1.377 -9.360 1.00 0.00 H new ATOM 1221 N LEU A 80 1.187 -0.676 -6.538 1.00 0.00 N ATOM 1222 CA LEU A 80 2.321 -0.364 -5.685 1.00 0.00 C ATOM 1223 C LEU A 80 2.545 -1.510 -4.716 1.00 0.00 C ATOM 1224 O LEU A 80 1.616 -2.228 -4.348 1.00 0.00 O ATOM 1225 CB LEU A 80 2.079 0.950 -4.917 1.00 0.00 C ATOM 1226 CG LEU A 80 2.060 2.213 -5.796 1.00 0.00 C ATOM 1227 CD1 LEU A 80 1.611 3.449 -5.011 1.00 0.00 C ATOM 1228 CD2 LEU A 80 3.424 2.486 -6.430 1.00 0.00 C ATOM 0 H LEU A 80 0.401 -1.090 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 80 3.209 -0.232 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.128 0.877 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.856 1.062 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 80 1.337 2.018 -6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.612 4.318 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.605 3.288 -4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.296 3.622 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.367 3.386 -7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.168 2.627 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.711 1.640 -7.054 1.00 0.00 H new ATOM 1240 N THR A 81 3.782 -1.650 -4.261 1.00 0.00 N ATOM 1241 CA THR A 81 4.122 -2.583 -3.202 1.00 0.00 C ATOM 1242 C THR A 81 5.300 -2.016 -2.415 1.00 0.00 C ATOM 1243 O THR A 81 5.874 -0.995 -2.795 1.00 0.00 O ATOM 1244 CB THR A 81 4.281 -3.994 -3.778 1.00 0.00 C ATOM 1245 OG1 THR A 81 4.453 -4.926 -2.731 1.00 0.00 O ATOM 1246 CG2 THR A 81 5.425 -4.110 -4.778 1.00 0.00 C ATOM 0 H THR A 81 4.577 -1.119 -4.617 1.00 0.00 H new ATOM 0 HA THR A 81 3.324 -2.699 -2.469 1.00 0.00 H new ATOM 0 HB THR A 81 3.365 -4.214 -4.327 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.734 -4.816 -2.074 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.483 -5.134 -5.147 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.248 -3.432 -5.613 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.363 -3.847 -4.290 1.00 0.00 H new ATOM 1254 N MET A 82 5.661 -2.649 -1.304 1.00 0.00 N ATOM 1255 CA MET A 82 6.578 -2.073 -0.329 1.00 0.00 C ATOM 1256 C MET A 82 8.033 -2.509 -0.485 1.00 0.00 C ATOM 1257 O MET A 82 8.911 -1.891 0.124 1.00 0.00 O ATOM 1258 CB MET A 82 6.036 -2.481 1.051 1.00 0.00 C ATOM 1259 CG MET A 82 4.558 -2.102 1.249 1.00 0.00 C ATOM 1260 SD MET A 82 4.180 -0.344 1.038 1.00 0.00 S ATOM 1261 CE MET A 82 2.369 -0.391 1.093 1.00 0.00 C ATOM 0 H MET A 82 5.324 -3.579 -1.054 1.00 0.00 H new ATOM 0 HA MET A 82 6.611 -0.993 -0.473 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.150 -3.558 1.177 1.00 0.00 H new ATOM 0 HB3 MET A 82 6.635 -2.004 1.827 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.955 -2.674 0.544 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.252 -2.406 2.250 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.974 0.614 0.941 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.998 -1.049 0.307 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.044 -0.765 2.064 1.00 0.00 H new ATOM 1271 N GLU A 83 8.302 -3.561 -1.266 1.00 0.00 N ATOM 1272 CA GLU A 83 9.634 -4.151 -1.381 1.00 0.00 C ATOM 1273 C GLU A 83 9.870 -4.529 -2.845 1.00 0.00 C ATOM 1274 O GLU A 83 8.944 -4.945 -3.544 1.00 0.00 O ATOM 1275 CB GLU A 83 9.746 -5.374 -0.450 1.00 0.00 C ATOM 1276 CG GLU A 83 9.695 -4.994 1.040 1.00 0.00 C ATOM 1277 CD GLU A 83 9.691 -6.213 1.975 1.00 0.00 C ATOM 1278 OE1 GLU A 83 10.678 -6.984 1.997 1.00 0.00 O ATOM 1279 OE2 GLU A 83 8.709 -6.361 2.738 1.00 0.00 O ATOM 0 H GLU A 83 7.597 -4.027 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 83 10.400 -3.439 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.936 -6.069 -0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.680 -5.897 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.553 -4.365 1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.801 -4.398 1.226 1.00 0.00 H new ATOM 1286 N LYS A 84 11.110 -4.408 -3.321 1.00 0.00 N ATOM 1287 CA LYS A 84 11.446 -4.596 -4.737 1.00 0.00 C ATOM 1288 C LYS A 84 11.225 -6.041 -5.174 1.00 0.00 C ATOM 1289 O LYS A 84 10.752 -6.281 -6.283 1.00 0.00 O ATOM 1290 CB LYS A 84 12.891 -4.146 -5.012 1.00 0.00 C ATOM 1291 CG LYS A 84 13.057 -2.625 -4.836 1.00 0.00 C ATOM 1292 CD LYS A 84 14.504 -2.144 -5.018 1.00 0.00 C ATOM 1293 CE LYS A 84 14.993 -2.310 -6.466 1.00 0.00 C ATOM 1294 NZ LYS A 84 16.383 -1.823 -6.648 1.00 0.00 N ATOM 0 H LYS A 84 11.913 -4.176 -2.736 1.00 0.00 H new ATOM 0 HA LYS A 84 10.776 -3.972 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.569 -4.667 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.173 -4.428 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.418 -2.112 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.710 -2.342 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.575 -1.095 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.158 -2.703 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.939 -3.362 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.328 -1.765 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.670 -1.955 -7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.432 -0.813 -6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.023 -2.360 -6.028 1.00 0.00 H new ATOM 1308 N ARG A 85 11.486 -7.006 -4.287 1.00 0.00 N ATOM 1309 CA ARG A 85 11.112 -8.403 -4.511 1.00 0.00 C ATOM 1310 C ARG A 85 9.624 -8.541 -4.825 1.00 0.00 C ATOM 1311 O ARG A 85 9.278 -9.291 -5.731 1.00 0.00 O ATOM 1312 CB ARG A 85 11.551 -9.279 -3.319 1.00 0.00 C ATOM 1313 CG ARG A 85 11.178 -8.756 -1.911 1.00 0.00 C ATOM 1314 CD ARG A 85 12.385 -8.445 -1.006 1.00 0.00 C ATOM 1315 NE ARG A 85 13.225 -7.317 -1.471 1.00 0.00 N ATOM 1316 CZ ARG A 85 14.454 -7.403 -2.003 1.00 0.00 C ATOM 1317 NH1 ARG A 85 14.982 -8.576 -2.344 1.00 0.00 N ATOM 1318 NH2 ARG A 85 15.153 -6.293 -2.193 1.00 0.00 N ATOM 0 H ARG A 85 11.960 -6.841 -3.399 1.00 0.00 H new ATOM 0 HA ARG A 85 11.643 -8.766 -5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.114 -10.270 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.633 -9.400 -3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.579 -7.852 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.550 -9.497 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.023 -8.223 -0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.006 -9.337 -0.930 1.00 0.00 H new ATOM 0 HE ARG A 85 12.830 -6.381 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.450 -9.435 -2.203 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.918 -8.616 -2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.755 -5.390 -1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.089 -6.342 -2.596 1.00 0.00 H new ATOM 1332 N HIS A 86 8.742 -7.808 -4.143 1.00 0.00 N ATOM 1333 CA HIS A 86 7.311 -7.899 -4.400 1.00 0.00 C ATOM 1334 C HIS A 86 6.982 -7.291 -5.766 1.00 0.00 C ATOM 1335 O HIS A 86 6.139 -7.844 -6.469 1.00 0.00 O ATOM 1336 CB HIS A 86 6.500 -7.196 -3.303 1.00 0.00 C ATOM 1337 CG HIS A 86 6.719 -7.638 -1.875 1.00 0.00 C ATOM 1338 ND1 HIS A 86 7.399 -8.748 -1.417 1.00 0.00 N ATOM 1339 CD2 HIS A 86 6.257 -6.971 -0.771 1.00 0.00 C ATOM 1340 CE1 HIS A 86 7.357 -8.730 -0.074 1.00 0.00 C ATOM 1341 NE2 HIS A 86 6.665 -7.665 0.371 1.00 0.00 N ATOM 0 H HIS A 86 8.997 -7.146 -3.410 1.00 0.00 H new ATOM 0 HA HIS A 86 7.036 -8.954 -4.399 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.713 -6.129 -3.360 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.442 -7.322 -3.535 1.00 0.00 H new ATOM 0 HD1 HIS A 86 7.853 -9.456 -1.995 1.00 0.00 H new ATOM 0 HD2 HIS A 86 5.675 -6.061 -0.782 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.817 -9.471 0.563 1.00 0.00 H new ATOM 1349 N ILE A 87 7.656 -6.200 -6.170 1.00 0.00 N ATOM 1350 CA ILE A 87 7.481 -5.625 -7.508 1.00 0.00 C ATOM 1351 C ILE A 87 7.787 -6.723 -8.527 1.00 0.00 C ATOM 1352 O ILE A 87 7.011 -6.923 -9.458 1.00 0.00 O ATOM 1353 CB ILE A 87 8.376 -4.382 -7.760 1.00 0.00 C ATOM 1354 CG1 ILE A 87 8.243 -3.297 -6.670 1.00 0.00 C ATOM 1355 CG2 ILE A 87 8.054 -3.746 -9.126 1.00 0.00 C ATOM 1356 CD1 ILE A 87 9.255 -2.158 -6.826 1.00 0.00 C ATOM 0 H ILE A 87 8.327 -5.701 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 87 6.455 -5.271 -7.603 1.00 0.00 H new ATOM 0 HB ILE A 87 9.401 -4.752 -7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.234 -2.885 -6.698 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.372 -3.757 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.693 -2.877 -9.282 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.232 -4.474 -9.917 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.009 -3.437 -9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 87 9.108 -1.429 -6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.267 -2.560 -6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.111 -1.673 -7.792 1.00 0.00 H new ATOM 1368 N GLU A 88 8.883 -7.463 -8.335 1.00 0.00 N ATOM 1369 CA GLU A 88 9.285 -8.503 -9.272 1.00 0.00 C ATOM 1370 C GLU A 88 8.223 -9.607 -9.340 1.00 0.00 C ATOM 1371 O GLU A 88 7.866 -10.044 -10.434 1.00 0.00 O ATOM 1372 CB GLU A 88 10.666 -9.050 -8.882 1.00 0.00 C ATOM 1373 CG GLU A 88 11.272 -9.898 -10.007 1.00 0.00 C ATOM 1374 CD GLU A 88 12.575 -10.578 -9.558 1.00 0.00 C ATOM 1375 OE1 GLU A 88 12.491 -11.685 -8.980 1.00 0.00 O ATOM 1376 OE2 GLU A 88 13.675 -10.027 -9.794 1.00 0.00 O ATOM 0 H GLU A 88 9.506 -7.356 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 88 9.366 -8.078 -10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.334 -8.221 -8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.578 -9.652 -7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.554 -10.656 -10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.469 -9.267 -10.874 1.00 0.00 H new ATOM 1383 N ARG A 89 7.661 -10.027 -8.198 1.00 0.00 N ATOM 1384 CA ARG A 89 6.599 -11.039 -8.189 1.00 0.00 C ATOM 1385 C ARG A 89 5.365 -10.536 -8.933 1.00 0.00 C ATOM 1386 O ARG A 89 4.750 -11.300 -9.671 1.00 0.00 O ATOM 1387 CB ARG A 89 6.221 -11.478 -6.764 1.00 0.00 C ATOM 1388 CG ARG A 89 7.383 -12.072 -5.951 1.00 0.00 C ATOM 1389 CD ARG A 89 7.886 -13.474 -6.325 1.00 0.00 C ATOM 1390 NE ARG A 89 8.519 -13.559 -7.653 1.00 0.00 N ATOM 1391 CZ ARG A 89 9.713 -13.074 -8.008 1.00 0.00 C ATOM 1392 NH1 ARG A 89 10.487 -12.379 -7.182 1.00 0.00 N ATOM 1393 NH2 ARG A 89 10.148 -13.291 -9.236 1.00 0.00 N ATOM 0 H ARG A 89 7.923 -9.683 -7.274 1.00 0.00 H new ATOM 0 HA ARG A 89 6.993 -11.914 -8.705 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.820 -10.618 -6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.422 -12.217 -6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.226 -11.385 -6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.080 -12.095 -4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.603 -13.802 -5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.047 -14.169 -6.291 1.00 0.00 H new ATOM 0 HE ARG A 89 7.989 -14.040 -8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.178 -12.194 -6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.391 -12.030 -7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.576 -13.820 -9.894 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.056 -12.929 -9.527 1.00 0.00 H new ATOM 1407 N LEU A 90 5.004 -9.262 -8.780 1.00 0.00 N ATOM 1408 CA LEU A 90 3.858 -8.690 -9.481 1.00 0.00 C ATOM 1409 C LEU A 90 4.137 -8.599 -10.982 1.00 0.00 C ATOM 1410 O LEU A 90 3.246 -8.895 -11.776 1.00 0.00 O ATOM 1411 CB LEU A 90 3.491 -7.320 -8.887 1.00 0.00 C ATOM 1412 CG LEU A 90 2.903 -7.418 -7.464 1.00 0.00 C ATOM 1413 CD1 LEU A 90 2.776 -6.026 -6.837 1.00 0.00 C ATOM 1414 CD2 LEU A 90 1.526 -8.096 -7.449 1.00 0.00 C ATOM 0 H LEU A 90 5.493 -8.604 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 90 3.000 -9.348 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.380 -6.690 -8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.769 -6.829 -9.539 1.00 0.00 H new ATOM 0 HG LEU A 90 3.594 -8.030 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.360 -6.115 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.760 -5.561 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.118 -5.410 -7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.154 -8.141 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.831 -7.522 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.614 -9.106 -7.848 1.00 0.00 H new ATOM 1426 N CYS A 91 5.366 -8.256 -11.382 1.00 0.00 N ATOM 1427 CA CYS A 91 5.765 -8.263 -12.788 1.00 0.00 C ATOM 1428 C CYS A 91 5.683 -9.677 -13.375 1.00 0.00 C ATOM 1429 O CYS A 91 5.330 -9.833 -14.541 1.00 0.00 O ATOM 1430 CB CYS A 91 7.197 -7.730 -12.938 1.00 0.00 C ATOM 1431 SG CYS A 91 7.309 -5.991 -12.427 1.00 0.00 S ATOM 0 H CYS A 91 6.106 -7.968 -10.742 1.00 0.00 H new ATOM 0 HA CYS A 91 5.078 -7.616 -13.334 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.877 -8.333 -12.336 1.00 0.00 H new ATOM 0 HB3 CYS A 91 7.517 -7.828 -13.975 1.00 0.00 H new ATOM 0 HG CYS A 91 7.197 -5.911 -11.134 1.00 0.00 H new ATOM 1437 N GLU A 92 6.021 -10.699 -12.587 1.00 0.00 N ATOM 1438 CA GLU A 92 5.960 -12.095 -12.995 1.00 0.00 C ATOM 1439 C GLU A 92 4.500 -12.554 -13.137 1.00 0.00 C ATOM 1440 O GLU A 92 4.158 -13.203 -14.127 1.00 0.00 O ATOM 1441 CB GLU A 92 6.748 -12.934 -11.974 1.00 0.00 C ATOM 1442 CG GLU A 92 6.792 -14.431 -12.316 1.00 0.00 C ATOM 1443 CD GLU A 92 7.690 -15.247 -11.363 1.00 0.00 C ATOM 1444 OE1 GLU A 92 8.061 -14.759 -10.270 1.00 0.00 O ATOM 1445 OE2 GLU A 92 8.033 -16.402 -11.710 1.00 0.00 O ATOM 0 H GLU A 92 6.350 -10.572 -11.630 1.00 0.00 H new ATOM 0 HA GLU A 92 6.416 -12.228 -13.976 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.767 -12.553 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.300 -12.807 -10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.780 -14.834 -12.285 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.152 -14.553 -13.337 1.00 0.00 H new ATOM 1452 N MET A 93 3.633 -12.204 -12.177 1.00 0.00 N ATOM 1453 CA MET A 93 2.219 -12.583 -12.214 1.00 0.00 C ATOM 1454 C MET A 93 1.467 -11.867 -13.340 1.00 0.00 C ATOM 1455 O MET A 93 0.585 -12.468 -13.959 1.00 0.00 O ATOM 1456 CB MET A 93 1.538 -12.268 -10.872 1.00 0.00 C ATOM 1457 CG MET A 93 1.957 -13.242 -9.765 1.00 0.00 C ATOM 1458 SD MET A 93 1.110 -13.008 -8.174 1.00 0.00 S ATOM 1459 CE MET A 93 -0.576 -13.516 -8.621 1.00 0.00 C ATOM 0 H MET A 93 3.893 -11.653 -11.359 1.00 0.00 H new ATOM 0 HA MET A 93 2.182 -13.656 -12.402 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.787 -11.250 -10.571 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.456 -12.308 -10.998 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.775 -14.260 -10.110 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.031 -13.146 -9.605 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.152 -13.705 -7.715 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.054 -12.723 -9.196 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.535 -14.425 -9.221 1.00 0.00 H new ATOM 1469 N ALA A 94 1.808 -10.604 -13.608 1.00 0.00 N ATOM 1470 CA ALA A 94 1.112 -9.775 -14.582 1.00 0.00 C ATOM 1471 C ALA A 94 2.136 -8.974 -15.399 1.00 0.00 C ATOM 1472 O ALA A 94 2.342 -7.789 -15.128 1.00 0.00 O ATOM 1473 CB ALA A 94 0.090 -8.880 -13.860 1.00 0.00 C ATOM 0 H ALA A 94 2.584 -10.128 -13.148 1.00 0.00 H new ATOM 0 HA ALA A 94 0.555 -10.394 -15.285 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.430 -8.260 -14.590 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.632 -9.504 -13.333 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.607 -8.241 -13.144 1.00 0.00 H new ATOM 1479 N PRO A 95 2.782 -9.587 -16.411 1.00 0.00 N ATOM 1480 CA PRO A 95 3.679 -8.886 -17.326 1.00 0.00 C ATOM 1481 C PRO A 95 3.042 -7.646 -17.962 1.00 0.00 C ATOM 1482 O PRO A 95 3.732 -6.655 -18.181 1.00 0.00 O ATOM 1483 CB PRO A 95 4.089 -9.915 -18.384 1.00 0.00 C ATOM 1484 CG PRO A 95 3.946 -11.246 -17.650 1.00 0.00 C ATOM 1485 CD PRO A 95 2.741 -11.003 -16.745 1.00 0.00 C ATOM 0 HA PRO A 95 4.541 -8.498 -16.784 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.445 -9.868 -19.262 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.110 -9.753 -18.729 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.774 -12.072 -18.340 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.840 -11.490 -17.077 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.811 -11.259 -17.253 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.794 -11.619 -15.847 1.00 0.00 H new ATOM 1493 N GLU A 96 1.723 -7.662 -18.191 1.00 0.00 N ATOM 1494 CA GLU A 96 0.980 -6.512 -18.713 1.00 0.00 C ATOM 1495 C GLU A 96 1.026 -5.270 -17.797 1.00 0.00 C ATOM 1496 O GLU A 96 0.644 -4.181 -18.227 1.00 0.00 O ATOM 1497 CB GLU A 96 -0.468 -6.946 -19.007 1.00 0.00 C ATOM 1498 CG GLU A 96 -1.258 -7.352 -17.752 1.00 0.00 C ATOM 1499 CD GLU A 96 -2.633 -7.916 -18.123 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -3.605 -7.147 -18.267 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -2.760 -9.157 -18.242 1.00 0.00 O ATOM 0 H GLU A 96 1.139 -8.480 -18.018 1.00 0.00 H new ATOM 0 HA GLU A 96 1.469 -6.194 -19.633 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.989 -6.128 -19.505 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.452 -7.785 -19.703 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.695 -8.098 -17.190 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.380 -6.487 -17.100 1.00 0.00 H new ATOM 1508 N MET A 97 1.508 -5.414 -16.558 1.00 0.00 N ATOM 1509 CA MET A 97 1.645 -4.352 -15.566 1.00 0.00 C ATOM 1510 C MET A 97 3.112 -4.105 -15.194 1.00 0.00 C ATOM 1511 O MET A 97 3.385 -3.227 -14.373 1.00 0.00 O ATOM 1512 CB MET A 97 0.809 -4.716 -14.317 1.00 0.00 C ATOM 1513 CG MET A 97 -0.468 -3.881 -14.229 1.00 0.00 C ATOM 1514 SD MET A 97 -0.163 -2.127 -13.883 1.00 0.00 S ATOM 1515 CE MET A 97 -1.868 -1.528 -13.912 1.00 0.00 C ATOM 0 H MET A 97 1.827 -6.317 -16.207 1.00 0.00 H new ATOM 0 HA MET A 97 1.272 -3.422 -15.996 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.550 -5.774 -14.348 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.408 -4.560 -13.420 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.015 -3.968 -15.168 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.108 -4.291 -13.448 1.00 0.00 H new ATOM 0 HE1 MET A 97 -1.891 -0.480 -13.612 1.00 0.00 H new ATOM 0 HE2 MET A 97 -2.271 -1.626 -14.920 1.00 0.00 H new ATOM 0 HE3 MET A 97 -2.472 -2.116 -13.221 1.00 0.00 H new ATOM 1525 N ARG A 98 4.075 -4.853 -15.752 1.00 0.00 N ATOM 1526 CA ARG A 98 5.469 -4.736 -15.324 1.00 0.00 C ATOM 1527 C ARG A 98 5.989 -3.322 -15.581 1.00 0.00 C ATOM 1528 O ARG A 98 5.636 -2.704 -16.588 1.00 0.00 O ATOM 1529 CB ARG A 98 6.350 -5.830 -15.955 1.00 0.00 C ATOM 1530 CG ARG A 98 6.713 -5.613 -17.434 1.00 0.00 C ATOM 1531 CD ARG A 98 7.298 -6.883 -18.068 1.00 0.00 C ATOM 1532 NE ARG A 98 8.595 -7.259 -17.470 1.00 0.00 N ATOM 1533 CZ ARG A 98 8.866 -8.329 -16.707 1.00 0.00 C ATOM 1534 NH1 ARG A 98 7.912 -9.188 -16.351 1.00 0.00 N ATOM 1535 NH2 ARG A 98 10.111 -8.531 -16.290 1.00 0.00 N ATOM 0 H ARG A 98 3.913 -5.537 -16.492 1.00 0.00 H new ATOM 0 HA ARG A 98 5.519 -4.903 -14.248 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.272 -5.907 -15.379 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.835 -6.786 -15.861 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.824 -5.307 -17.986 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.434 -4.800 -17.516 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.592 -7.705 -17.948 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.426 -6.727 -19.139 1.00 0.00 H new ATOM 0 HE ARG A 98 9.377 -6.632 -17.659 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.951 -9.039 -16.659 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.143 -9.994 -15.770 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.849 -7.876 -16.550 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.329 -9.341 -15.709 1.00 0.00 H new ATOM 1549 N GLY A 99 6.800 -2.792 -14.664 1.00 0.00 N ATOM 1550 CA GLY A 99 7.340 -1.435 -14.729 1.00 0.00 C ATOM 1551 C GLY A 99 6.307 -0.356 -14.376 1.00 0.00 C ATOM 1552 O GLY A 99 6.657 0.629 -13.725 1.00 0.00 O ATOM 0 H GLY A 99 7.106 -3.306 -13.838 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.187 -1.355 -14.048 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.720 -1.250 -15.734 1.00 0.00 H new ATOM 1556 N LYS A 100 5.034 -0.536 -14.752 1.00 0.00 N ATOM 1557 CA LYS A 100 3.933 0.311 -14.292 1.00 0.00 C ATOM 1558 C LYS A 100 3.689 0.070 -12.797 1.00 0.00 C ATOM 1559 O LYS A 100 3.361 1.013 -12.076 1.00 0.00 O ATOM 1560 CB LYS A 100 2.700 0.052 -15.174 1.00 0.00 C ATOM 1561 CG LYS A 100 1.548 1.030 -14.905 1.00 0.00 C ATOM 1562 CD LYS A 100 0.479 0.916 -16.004 1.00 0.00 C ATOM 1563 CE LYS A 100 -0.727 1.791 -15.650 1.00 0.00 C ATOM 1564 NZ LYS A 100 -1.786 1.771 -16.688 1.00 0.00 N ATOM 0 H LYS A 100 4.741 -1.278 -15.387 1.00 0.00 H new ATOM 0 HA LYS A 100 4.177 1.369 -14.394 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.990 0.122 -16.222 1.00 0.00 H new ATOM 0 HB3 LYS A 100 2.350 -0.967 -15.007 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.103 0.819 -13.933 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.930 2.050 -14.865 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.896 1.226 -16.962 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.166 -0.122 -16.113 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.148 1.453 -14.703 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.392 2.818 -15.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.650 2.209 -16.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.465 2.302 -17.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.987 0.788 -16.960 1.00 0.00 H new ATOM 1578 N VAL A 101 3.882 -1.165 -12.323 1.00 0.00 N ATOM 1579 CA VAL A 101 3.912 -1.449 -10.893 1.00 0.00 C ATOM 1580 C VAL A 101 5.260 -0.933 -10.369 1.00 0.00 C ATOM 1581 O VAL A 101 6.279 -1.099 -11.048 1.00 0.00 O ATOM 1582 CB VAL A 101 3.668 -2.952 -10.632 1.00 0.00 C ATOM 1583 CG1 VAL A 101 4.681 -3.905 -11.286 1.00 0.00 C ATOM 1584 CG2 VAL A 101 3.627 -3.258 -9.129 1.00 0.00 C ATOM 0 H VAL A 101 4.020 -1.984 -12.915 1.00 0.00 H new ATOM 0 HA VAL A 101 3.111 -0.943 -10.354 1.00 0.00 H new ATOM 0 HB VAL A 101 2.703 -3.139 -11.102 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.421 -4.935 -11.042 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.660 -3.772 -12.368 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.681 -3.685 -10.913 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.454 -4.324 -8.979 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.577 -2.977 -8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.821 -2.691 -8.664 1.00 0.00 H new ATOM 1594 N MET A 102 5.293 -0.301 -9.189 1.00 0.00 N ATOM 1595 CA MET A 102 6.526 0.272 -8.642 1.00 0.00 C ATOM 1596 C MET A 102 6.508 0.297 -7.109 1.00 0.00 C ATOM 1597 O MET A 102 5.560 -0.175 -6.478 1.00 0.00 O ATOM 1598 CB MET A 102 6.784 1.663 -9.260 1.00 0.00 C ATOM 1599 CG MET A 102 5.836 2.756 -8.758 1.00 0.00 C ATOM 1600 SD MET A 102 6.057 4.360 -9.571 1.00 0.00 S ATOM 1601 CE MET A 102 5.000 4.091 -11.018 1.00 0.00 C ATOM 0 H MET A 102 4.475 -0.174 -8.593 1.00 0.00 H new ATOM 0 HA MET A 102 7.363 -0.370 -8.918 1.00 0.00 H new ATOM 0 HB2 MET A 102 7.810 1.960 -9.044 1.00 0.00 H new ATOM 0 HB3 MET A 102 6.695 1.589 -10.344 1.00 0.00 H new ATOM 0 HG2 MET A 102 4.808 2.425 -8.905 1.00 0.00 H new ATOM 0 HG3 MET A 102 5.980 2.882 -7.685 1.00 0.00 H new ATOM 0 HE1 MET A 102 4.793 5.046 -11.500 1.00 0.00 H new ATOM 0 HE2 MET A 102 5.508 3.432 -11.722 1.00 0.00 H new ATOM 0 HE3 MET A 102 4.062 3.633 -10.703 1.00 0.00 H new ATOM 1611 N LEU A 103 7.580 0.816 -6.505 1.00 0.00 N ATOM 1612 CA LEU A 103 7.728 0.859 -5.056 1.00 0.00 C ATOM 1613 C LEU A 103 6.860 1.974 -4.466 1.00 0.00 C ATOM 1614 O LEU A 103 6.878 3.102 -4.957 1.00 0.00 O ATOM 1615 CB LEU A 103 9.209 1.110 -4.715 1.00 0.00 C ATOM 1616 CG LEU A 103 9.588 0.671 -3.290 1.00 0.00 C ATOM 1617 CD1 LEU A 103 9.654 -0.856 -3.149 1.00 0.00 C ATOM 1618 CD2 LEU A 103 10.960 1.249 -2.953 1.00 0.00 C ATOM 0 H LEU A 103 8.369 1.218 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 103 7.405 -0.090 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.835 0.577 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.426 2.172 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 103 8.818 1.037 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.925 -1.116 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.681 -1.286 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.403 -1.253 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.244 0.947 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.697 0.876 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.920 2.337 -3.008 1.00 0.00 H new ATOM 1630 N PHE A 104 6.159 1.693 -3.370 1.00 0.00 N ATOM 1631 CA PHE A 104 5.404 2.699 -2.631 1.00 0.00 C ATOM 1632 C PHE A 104 6.340 3.786 -2.093 1.00 0.00 C ATOM 1633 O PHE A 104 6.038 4.972 -2.212 1.00 0.00 O ATOM 1634 CB PHE A 104 4.634 2.019 -1.491 1.00 0.00 C ATOM 1635 CG PHE A 104 3.575 2.909 -0.873 1.00 0.00 C ATOM 1636 CD1 PHE A 104 2.341 3.060 -1.528 1.00 0.00 C ATOM 1637 CD2 PHE A 104 3.814 3.599 0.331 1.00 0.00 C ATOM 1638 CE1 PHE A 104 1.369 3.935 -1.023 1.00 0.00 C ATOM 1639 CE2 PHE A 104 2.826 4.452 0.858 1.00 0.00 C ATOM 1640 CZ PHE A 104 1.616 4.634 0.169 1.00 0.00 C ATOM 0 H PHE A 104 6.099 0.757 -2.969 1.00 0.00 H new ATOM 0 HA PHE A 104 4.691 3.181 -3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 104 4.162 1.113 -1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.338 1.712 -0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.140 2.497 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.753 3.474 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.435 4.071 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.999 4.966 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.873 5.314 0.558 1.00 0.00 H new ATOM 1650 N GLY A 105 7.512 3.386 -1.584 1.00 0.00 N ATOM 1651 CA GLY A 105 8.509 4.301 -1.032 1.00 0.00 C ATOM 1652 C GLY A 105 9.402 4.937 -2.099 1.00 0.00 C ATOM 1653 O GLY A 105 10.498 5.392 -1.773 1.00 0.00 O ATOM 0 H GLY A 105 7.794 2.407 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.001 5.089 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.133 3.761 -0.320 1.00 0.00 H new ATOM 1657 N HIS A 106 8.990 4.930 -3.374 1.00 0.00 N ATOM 1658 CA HIS A 106 9.782 5.425 -4.498 1.00 0.00 C ATOM 1659 C HIS A 106 10.338 6.832 -4.246 1.00 0.00 C ATOM 1660 O HIS A 106 11.517 7.078 -4.504 1.00 0.00 O ATOM 1661 CB HIS A 106 8.935 5.364 -5.776 1.00 0.00 C ATOM 1662 CG HIS A 106 9.487 6.134 -6.951 1.00 0.00 C ATOM 1663 ND1 HIS A 106 10.465 5.718 -7.830 1.00 0.00 N ATOM 1664 CD2 HIS A 106 9.094 7.384 -7.351 1.00 0.00 C ATOM 1665 CE1 HIS A 106 10.660 6.697 -8.728 1.00 0.00 C ATOM 1666 NE2 HIS A 106 9.845 7.741 -8.479 1.00 0.00 N ATOM 0 H HIS A 106 8.077 4.572 -3.654 1.00 0.00 H new ATOM 0 HA HIS A 106 10.654 4.782 -4.618 1.00 0.00 H new ATOM 0 HB2 HIS A 106 8.821 4.320 -6.068 1.00 0.00 H new ATOM 0 HB3 HIS A 106 7.938 5.742 -5.550 1.00 0.00 H new ATOM 0 HD1 HIS A 106 10.954 4.823 -7.803 1.00 0.00 H new ATOM 0 HD2 HIS A 106 8.336 7.990 -6.878 1.00 0.00 H new ATOM 0 HE1 HIS A 106 11.372 6.654 -9.539 1.00 0.00 H new ATOM 1674 N TRP A 107 9.511 7.734 -3.711 1.00 0.00 N ATOM 1675 CA TRP A 107 9.891 9.127 -3.508 1.00 0.00 C ATOM 1676 C TRP A 107 11.056 9.276 -2.523 1.00 0.00 C ATOM 1677 O TRP A 107 11.839 10.220 -2.640 1.00 0.00 O ATOM 1678 CB TRP A 107 8.671 9.895 -2.994 1.00 0.00 C ATOM 1679 CG TRP A 107 7.391 9.626 -3.724 1.00 0.00 C ATOM 1680 CD1 TRP A 107 6.377 8.863 -3.260 1.00 0.00 C ATOM 1681 CD2 TRP A 107 6.967 10.092 -5.043 1.00 0.00 C ATOM 1682 NE1 TRP A 107 5.365 8.826 -4.189 1.00 0.00 N ATOM 1683 CE2 TRP A 107 5.669 9.564 -5.309 1.00 0.00 C ATOM 1684 CE3 TRP A 107 7.548 10.902 -6.044 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 4.982 9.830 -6.502 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 6.862 11.178 -7.245 1.00 0.00 C ATOM 1687 CH2 TRP A 107 5.580 10.645 -7.473 1.00 0.00 C ATOM 0 H TRP A 107 8.562 7.516 -3.408 1.00 0.00 H new ATOM 0 HA TRP A 107 10.229 9.532 -4.462 1.00 0.00 H new ATOM 0 HB2 TRP A 107 8.527 9.653 -1.941 1.00 0.00 H new ATOM 0 HB3 TRP A 107 8.884 10.962 -3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 107 6.364 8.359 -2.305 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.493 8.313 -4.063 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.533 11.316 -5.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 4.001 9.411 -6.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 7.324 11.803 -7.995 1.00 0.00 H new ATOM 0 HH2 TRP A 107 5.058 10.863 -8.393 1.00 0.00 H new ATOM 1698 N ASP A 108 11.192 8.346 -1.574 1.00 0.00 N ATOM 1699 CA ASP A 108 12.256 8.371 -0.575 1.00 0.00 C ATOM 1700 C ASP A 108 13.451 7.577 -1.103 1.00 0.00 C ATOM 1701 O ASP A 108 13.841 6.561 -0.533 1.00 0.00 O ATOM 1702 CB ASP A 108 11.742 7.856 0.780 1.00 0.00 C ATOM 1703 CG ASP A 108 12.820 7.953 1.879 1.00 0.00 C ATOM 1704 OD1 ASP A 108 13.612 8.925 1.888 1.00 0.00 O ATOM 1705 OD2 ASP A 108 12.828 7.101 2.795 1.00 0.00 O ATOM 0 H ASP A 108 10.561 7.550 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 108 12.587 9.395 -0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.866 8.432 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 108 11.421 6.819 0.676 1.00 0.00 H new ATOM 1710 N ASN A 109 13.988 8.022 -2.247 1.00 0.00 N ATOM 1711 CA ASN A 109 15.123 7.385 -2.930 1.00 0.00 C ATOM 1712 C ASN A 109 14.958 5.858 -3.072 1.00 0.00 C ATOM 1713 O ASN A 109 15.897 5.089 -2.865 1.00 0.00 O ATOM 1714 CB ASN A 109 16.444 7.817 -2.264 1.00 0.00 C ATOM 1715 CG ASN A 109 17.671 7.409 -3.079 1.00 0.00 C ATOM 1716 OD1 ASN A 109 18.540 6.679 -2.609 1.00 0.00 O ATOM 1717 ND2 ASN A 109 17.793 7.894 -4.306 1.00 0.00 N ATOM 0 H ASN A 109 13.640 8.849 -2.732 1.00 0.00 H new ATOM 0 HA ASN A 109 15.151 7.739 -3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 109 16.443 8.899 -2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 109 16.508 7.374 -1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 109 18.613 7.662 -4.867 1.00 0.00 H new ATOM 0 HD22 ASN A 109 17.067 8.500 -4.690 1.00 0.00 H new ATOM 1724 N GLU A 110 13.737 5.435 -3.421 1.00 0.00 N ATOM 1725 CA GLU A 110 13.362 4.026 -3.587 1.00 0.00 C ATOM 1726 C GLU A 110 13.770 3.130 -2.406 1.00 0.00 C ATOM 1727 O GLU A 110 14.199 1.987 -2.584 1.00 0.00 O ATOM 1728 CB GLU A 110 13.801 3.489 -4.962 1.00 0.00 C ATOM 1729 CG GLU A 110 13.372 4.429 -6.096 1.00 0.00 C ATOM 1730 CD GLU A 110 13.351 3.736 -7.465 1.00 0.00 C ATOM 1731 OE1 GLU A 110 14.428 3.416 -8.019 1.00 0.00 O ATOM 1732 OE2 GLU A 110 12.240 3.538 -8.007 1.00 0.00 O ATOM 0 H GLU A 110 12.965 6.077 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 110 12.273 3.987 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.884 3.369 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.368 2.502 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 110 12.380 4.825 -5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.053 5.279 -6.134 1.00 0.00 H new ATOM 1739 N CYS A 111 13.642 3.664 -1.192 1.00 0.00 N ATOM 1740 CA CYS A 111 13.878 2.901 0.026 1.00 0.00 C ATOM 1741 C CYS A 111 12.752 1.879 0.209 1.00 0.00 C ATOM 1742 O CYS A 111 11.574 2.247 0.220 1.00 0.00 O ATOM 1743 CB CYS A 111 13.945 3.840 1.230 1.00 0.00 C ATOM 1744 SG CYS A 111 15.536 4.715 1.240 1.00 0.00 S ATOM 0 H CYS A 111 13.373 4.634 -1.029 1.00 0.00 H new ATOM 0 HA CYS A 111 14.830 2.376 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 111 13.125 4.557 1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 111 13.826 3.272 2.153 1.00 0.00 H new ATOM 0 HG CYS A 111 15.443 5.793 0.520 1.00 0.00 H new ATOM 1750 N GLU A 112 13.115 0.605 0.378 1.00 0.00 N ATOM 1751 CA GLU A 112 12.154 -0.448 0.690 1.00 0.00 C ATOM 1752 C GLU A 112 11.663 -0.249 2.126 1.00 0.00 C ATOM 1753 O GLU A 112 12.419 0.194 2.998 1.00 0.00 O ATOM 1754 CB GLU A 112 12.803 -1.833 0.528 1.00 0.00 C ATOM 1755 CG GLU A 112 13.156 -2.135 -0.935 1.00 0.00 C ATOM 1756 CD GLU A 112 13.753 -3.537 -1.099 1.00 0.00 C ATOM 1757 OE1 GLU A 112 12.988 -4.507 -1.301 1.00 0.00 O ATOM 1758 OE2 GLU A 112 14.992 -3.697 -1.100 1.00 0.00 O ATOM 0 H GLU A 112 14.078 0.279 0.302 1.00 0.00 H new ATOM 0 HA GLU A 112 11.310 -0.394 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 112 13.706 -1.884 1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.123 -2.598 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.261 -2.047 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.867 -1.393 -1.298 1.00 0.00 H new ATOM 1765 N ILE A 113 10.396 -0.576 2.369 1.00 0.00 N ATOM 1766 CA ILE A 113 9.736 -0.297 3.643 1.00 0.00 C ATOM 1767 C ILE A 113 9.773 -1.595 4.474 1.00 0.00 C ATOM 1768 O ILE A 113 9.549 -2.667 3.904 1.00 0.00 O ATOM 1769 CB ILE A 113 8.315 0.256 3.359 1.00 0.00 C ATOM 1770 CG1 ILE A 113 8.433 1.541 2.495 1.00 0.00 C ATOM 1771 CG2 ILE A 113 7.504 0.496 4.648 1.00 0.00 C ATOM 1772 CD1 ILE A 113 7.130 2.307 2.259 1.00 0.00 C ATOM 0 H ILE A 113 9.797 -1.042 1.688 1.00 0.00 H new ATOM 0 HA ILE A 113 10.237 0.473 4.230 1.00 0.00 H new ATOM 0 HB ILE A 113 7.755 -0.496 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.146 2.213 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.852 1.268 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.518 0.883 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.395 -0.444 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.025 1.219 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.330 3.185 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.416 1.661 1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.714 2.621 3.216 1.00 0.00 H new ATOM 1784 N PRO A 114 10.069 -1.543 5.791 1.00 0.00 N ATOM 1785 CA PRO A 114 10.056 -2.718 6.662 1.00 0.00 C ATOM 1786 C PRO A 114 8.700 -3.433 6.669 1.00 0.00 C ATOM 1787 O PRO A 114 7.683 -2.877 6.247 1.00 0.00 O ATOM 1788 CB PRO A 114 10.428 -2.225 8.067 1.00 0.00 C ATOM 1789 CG PRO A 114 11.125 -0.890 7.822 1.00 0.00 C ATOM 1790 CD PRO A 114 10.457 -0.366 6.554 1.00 0.00 C ATOM 0 HA PRO A 114 10.768 -3.458 6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 114 9.544 -2.104 8.694 1.00 0.00 H new ATOM 0 HB3 PRO A 114 11.085 -2.930 8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 114 10.988 -0.206 8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 114 12.199 -1.017 7.687 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.588 0.247 6.795 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.141 0.261 5.983 1.00 0.00 H new ATOM 1798 N ASP A 115 8.672 -4.660 7.186 1.00 0.00 N ATOM 1799 CA ASP A 115 7.480 -5.502 7.261 1.00 0.00 C ATOM 1800 C ASP A 115 7.087 -5.661 8.733 1.00 0.00 C ATOM 1801 O ASP A 115 7.817 -6.327 9.471 1.00 0.00 O ATOM 1802 CB ASP A 115 7.756 -6.872 6.631 1.00 0.00 C ATOM 1803 CG ASP A 115 6.739 -7.916 7.119 1.00 0.00 C ATOM 1804 OD1 ASP A 115 5.528 -7.606 7.144 1.00 0.00 O ATOM 1805 OD2 ASP A 115 7.175 -9.017 7.524 1.00 0.00 O ATOM 0 H ASP A 115 9.501 -5.108 7.575 1.00 0.00 H new ATOM 0 HA ASP A 115 6.663 -5.036 6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.709 -6.793 5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 115 8.765 -7.196 6.884 1.00 0.00 H new ATOM 1810 N PRO A 116 5.969 -5.071 9.190 1.00 0.00 N ATOM 1811 CA PRO A 116 5.601 -5.073 10.595 1.00 0.00 C ATOM 1812 C PRO A 116 4.936 -6.384 11.041 1.00 0.00 C ATOM 1813 O PRO A 116 4.714 -6.550 12.239 1.00 0.00 O ATOM 1814 CB PRO A 116 4.645 -3.890 10.742 1.00 0.00 C ATOM 1815 CG PRO A 116 3.910 -3.879 9.403 1.00 0.00 C ATOM 1816 CD PRO A 116 5.000 -4.307 8.419 1.00 0.00 C ATOM 0 HA PRO A 116 6.482 -4.988 11.231 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.959 -4.026 11.578 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.180 -2.957 10.917 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.066 -4.569 9.398 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.515 -2.891 9.166 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.581 -4.910 7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 116 5.469 -3.439 7.956 1.00 0.00 H new ATOM 1824 N TYR A 117 4.610 -7.317 10.133 1.00 0.00 N ATOM 1825 CA TYR A 117 3.911 -8.546 10.475 1.00 0.00 C ATOM 1826 C TYR A 117 4.654 -9.295 11.587 1.00 0.00 C ATOM 1827 O TYR A 117 5.839 -9.610 11.436 1.00 0.00 O ATOM 1828 CB TYR A 117 3.768 -9.399 9.211 1.00 0.00 C ATOM 1829 CG TYR A 117 2.983 -10.673 9.422 1.00 0.00 C ATOM 1830 CD1 TYR A 117 1.585 -10.664 9.280 1.00 0.00 C ATOM 1831 CD2 TYR A 117 3.654 -11.860 9.768 1.00 0.00 C ATOM 1832 CE1 TYR A 117 0.849 -11.848 9.479 1.00 0.00 C ATOM 1833 CE2 TYR A 117 2.926 -13.045 9.976 1.00 0.00 C ATOM 1834 CZ TYR A 117 1.519 -13.044 9.833 1.00 0.00 C ATOM 1835 OH TYR A 117 0.826 -14.199 10.040 1.00 0.00 O ATOM 0 H TYR A 117 4.829 -7.231 9.140 1.00 0.00 H new ATOM 0 HA TYR A 117 2.916 -8.317 10.857 1.00 0.00 H new ATOM 0 HB2 TYR A 117 3.280 -8.806 8.437 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.761 -9.652 8.840 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.075 -9.749 9.018 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.729 -11.861 9.874 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.225 -11.844 9.362 1.00 0.00 H new ATOM 0 HE2 TYR A 117 3.441 -13.955 10.245 1.00 0.00 H new ATOM 0 HH TYR A 117 1.450 -14.918 10.274 1.00 0.00 H new ATOM 1845 N ARG A 118 3.954 -9.570 12.696 1.00 0.00 N ATOM 1846 CA ARG A 118 4.491 -10.287 13.860 1.00 0.00 C ATOM 1847 C ARG A 118 5.673 -9.571 14.541 1.00 0.00 C ATOM 1848 O ARG A 118 6.343 -10.173 15.380 1.00 0.00 O ATOM 1849 CB ARG A 118 4.767 -11.760 13.472 1.00 0.00 C ATOM 1850 CG ARG A 118 4.675 -12.746 14.648 1.00 0.00 C ATOM 1851 CD ARG A 118 4.888 -14.184 14.158 1.00 0.00 C ATOM 1852 NE ARG A 118 4.815 -15.152 15.268 1.00 0.00 N ATOM 1853 CZ ARG A 118 5.007 -16.473 15.165 1.00 0.00 C ATOM 1854 NH1 ARG A 118 5.292 -17.030 13.990 1.00 0.00 N ATOM 1855 NH2 ARG A 118 4.914 -17.238 16.249 1.00 0.00 N ATOM 0 H ARG A 118 2.979 -9.294 12.811 1.00 0.00 H new ATOM 0 HA ARG A 118 3.734 -10.289 14.644 1.00 0.00 H new ATOM 0 HB2 ARG A 118 4.056 -12.061 12.703 1.00 0.00 H new ATOM 0 HB3 ARG A 118 5.762 -11.828 13.031 1.00 0.00 H new ATOM 0 HG2 ARG A 118 5.424 -12.496 15.400 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.700 -12.659 15.128 1.00 0.00 H new ATOM 0 HD2 ARG A 118 4.134 -14.430 13.410 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.859 -14.262 13.669 1.00 0.00 H new ATOM 0 HE ARG A 118 4.600 -14.783 16.194 1.00 0.00 H new ATOM 0 HH11 ARG A 118 5.366 -16.449 13.155 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.436 -18.038 13.925 1.00 0.00 H new ATOM 0 HH21 ARG A 118 4.697 -16.818 17.153 1.00 0.00 H new ATOM 0 HH22 ARG A 118 5.059 -18.245 16.177 1.00 0.00 H new ATOM 1869 N LYS A 119 5.946 -8.302 14.214 1.00 0.00 N ATOM 1870 CA LYS A 119 7.000 -7.527 14.879 1.00 0.00 C ATOM 1871 C LYS A 119 6.408 -6.762 16.070 1.00 0.00 C ATOM 1872 O LYS A 119 5.199 -6.812 16.314 1.00 0.00 O ATOM 1873 CB LYS A 119 7.688 -6.569 13.888 1.00 0.00 C ATOM 1874 CG LYS A 119 8.138 -7.174 12.548 1.00 0.00 C ATOM 1875 CD LYS A 119 8.937 -8.485 12.628 1.00 0.00 C ATOM 1876 CE LYS A 119 9.415 -8.962 11.244 1.00 0.00 C ATOM 1877 NZ LYS A 119 8.320 -9.020 10.247 1.00 0.00 N ATOM 0 H LYS A 119 5.448 -7.788 13.488 1.00 0.00 H new ATOM 0 HA LYS A 119 7.761 -8.213 15.250 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.004 -5.746 13.678 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.562 -6.140 14.379 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.253 -7.349 11.937 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.745 -6.435 12.025 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.800 -8.343 13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.318 -9.258 13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.194 -8.291 10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.865 -9.950 11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.590 -9.659 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.455 -9.374 10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.146 -8.068 9.866 1.00 0.00 H new ATOM 1891 N SER A 120 7.263 -6.069 16.822 1.00 0.00 N ATOM 1892 CA SER A 120 6.852 -5.255 17.962 1.00 0.00 C ATOM 1893 C SER A 120 6.004 -4.054 17.513 1.00 0.00 C ATOM 1894 O SER A 120 6.103 -3.608 16.367 1.00 0.00 O ATOM 1895 CB SER A 120 8.119 -4.785 18.690 1.00 0.00 C ATOM 1896 OG SER A 120 8.966 -5.887 18.988 1.00 0.00 O ATOM 0 H SER A 120 8.269 -6.058 16.654 1.00 0.00 H new ATOM 0 HA SER A 120 6.230 -5.848 18.632 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.655 -4.066 18.070 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.845 -4.271 19.611 1.00 0.00 H new ATOM 0 HG SER A 120 9.769 -5.567 19.450 1.00 0.00 H new ATOM 1902 N ARG A 121 5.212 -3.470 18.424 1.00 0.00 N ATOM 1903 CA ARG A 121 4.384 -2.294 18.114 1.00 0.00 C ATOM 1904 C ARG A 121 5.233 -1.115 17.640 1.00 0.00 C ATOM 1905 O ARG A 121 4.799 -0.374 16.763 1.00 0.00 O ATOM 1906 CB ARG A 121 3.524 -1.917 19.338 1.00 0.00 C ATOM 1907 CG ARG A 121 2.476 -0.837 19.013 1.00 0.00 C ATOM 1908 CD ARG A 121 1.626 -0.498 20.244 1.00 0.00 C ATOM 1909 NE ARG A 121 0.542 0.452 19.924 1.00 0.00 N ATOM 1910 CZ ARG A 121 0.660 1.784 19.812 1.00 0.00 C ATOM 1911 NH1 ARG A 121 1.825 2.401 19.958 1.00 0.00 N ATOM 1912 NH2 ARG A 121 -0.391 2.547 19.542 1.00 0.00 N ATOM 0 H ARG A 121 5.127 -3.795 19.387 1.00 0.00 H new ATOM 0 HA ARG A 121 3.718 -2.551 17.290 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.019 -2.808 19.711 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.173 -1.560 20.138 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.977 0.063 18.655 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.830 -1.185 18.207 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.197 -1.413 20.651 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.264 -0.073 21.019 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.387 0.058 19.773 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.666 1.861 20.162 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.880 3.415 19.866 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.310 2.123 19.415 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.280 3.558 19.461 1.00 0.00 H new ATOM 1926 N GLU A 122 6.452 -0.956 18.160 1.00 0.00 N ATOM 1927 CA GLU A 122 7.357 0.096 17.700 1.00 0.00 C ATOM 1928 C GLU A 122 7.712 -0.076 16.215 1.00 0.00 C ATOM 1929 O GLU A 122 7.910 0.916 15.516 1.00 0.00 O ATOM 1930 CB GLU A 122 8.605 0.177 18.596 1.00 0.00 C ATOM 1931 CG GLU A 122 9.468 -1.094 18.608 1.00 0.00 C ATOM 1932 CD GLU A 122 10.691 -0.933 19.530 1.00 0.00 C ATOM 1933 OE1 GLU A 122 11.757 -0.472 19.061 1.00 0.00 O ATOM 1934 OE2 GLU A 122 10.607 -1.281 20.729 1.00 0.00 O ATOM 0 H GLU A 122 6.834 -1.544 18.901 1.00 0.00 H new ATOM 0 HA GLU A 122 6.838 1.051 17.785 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.220 1.014 18.265 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.290 0.396 19.616 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.868 -1.940 18.942 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.801 -1.319 17.595 1.00 0.00 H new ATOM 1941 N THR A 123 7.735 -1.309 15.702 1.00 0.00 N ATOM 1942 CA THR A 123 7.967 -1.562 14.288 1.00 0.00 C ATOM 1943 C THR A 123 6.724 -1.177 13.477 1.00 0.00 C ATOM 1944 O THR A 123 6.865 -0.565 12.420 1.00 0.00 O ATOM 1945 CB THR A 123 8.345 -3.038 14.080 1.00 0.00 C ATOM 1946 OG1 THR A 123 9.191 -3.512 15.119 1.00 0.00 O ATOM 1947 CG2 THR A 123 9.042 -3.259 12.734 1.00 0.00 C ATOM 0 H THR A 123 7.593 -2.153 16.257 1.00 0.00 H new ATOM 0 HA THR A 123 8.797 -0.949 13.936 1.00 0.00 H new ATOM 0 HB THR A 123 7.410 -3.598 14.094 1.00 0.00 H new ATOM 0 HG1 THR A 123 9.663 -4.315 14.815 1.00 0.00 H new ATOM 0 HG21 THR A 123 9.294 -4.314 12.623 1.00 0.00 H new ATOM 0 HG22 THR A 123 8.376 -2.958 11.926 1.00 0.00 H new ATOM 0 HG23 THR A 123 9.953 -2.662 12.694 1.00 0.00 H new ATOM 1955 N PHE A 124 5.507 -1.448 13.977 1.00 0.00 N ATOM 1956 CA PHE A 124 4.288 -0.945 13.342 1.00 0.00 C ATOM 1957 C PHE A 124 4.310 0.587 13.302 1.00 0.00 C ATOM 1958 O PHE A 124 3.947 1.161 12.279 1.00 0.00 O ATOM 1959 CB PHE A 124 3.016 -1.448 14.048 1.00 0.00 C ATOM 1960 CG PHE A 124 2.610 -2.882 13.759 1.00 0.00 C ATOM 1961 CD1 PHE A 124 3.181 -3.943 14.487 1.00 0.00 C ATOM 1962 CD2 PHE A 124 1.624 -3.160 12.791 1.00 0.00 C ATOM 1963 CE1 PHE A 124 2.772 -5.266 14.254 1.00 0.00 C ATOM 1964 CE2 PHE A 124 1.220 -4.487 12.556 1.00 0.00 C ATOM 1965 CZ PHE A 124 1.793 -5.541 13.287 1.00 0.00 C ATOM 0 H PHE A 124 5.346 -2.009 14.814 1.00 0.00 H new ATOM 0 HA PHE A 124 4.263 -1.332 12.323 1.00 0.00 H new ATOM 0 HB2 PHE A 124 3.157 -1.342 15.124 1.00 0.00 H new ATOM 0 HB3 PHE A 124 2.189 -0.795 13.769 1.00 0.00 H new ATOM 0 HD1 PHE A 124 3.938 -3.738 15.229 1.00 0.00 H new ATOM 0 HD2 PHE A 124 1.178 -2.353 12.229 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.212 -6.074 14.820 1.00 0.00 H new ATOM 0 HE2 PHE A 124 0.467 -4.696 11.811 1.00 0.00 H new ATOM 0 HZ PHE A 124 1.481 -6.559 13.105 1.00 0.00 H new ATOM 1975 N ALA A 125 4.760 1.259 14.369 1.00 0.00 N ATOM 1976 CA ALA A 125 4.859 2.717 14.405 1.00 0.00 C ATOM 1977 C ALA A 125 5.892 3.241 13.399 1.00 0.00 C ATOM 1978 O ALA A 125 5.619 4.214 12.693 1.00 0.00 O ATOM 1979 CB ALA A 125 5.185 3.184 15.827 1.00 0.00 C ATOM 0 H ALA A 125 5.065 0.804 15.230 1.00 0.00 H new ATOM 0 HA ALA A 125 3.894 3.131 14.113 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.257 4.271 15.845 1.00 0.00 H new ATOM 0 HB2 ALA A 125 4.396 2.861 16.506 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.135 2.752 16.143 1.00 0.00 H new ATOM 1985 N ALA A 126 7.059 2.595 13.295 1.00 0.00 N ATOM 1986 CA ALA A 126 8.080 2.958 12.316 1.00 0.00 C ATOM 1987 C ALA A 126 7.528 2.817 10.896 1.00 0.00 C ATOM 1988 O ALA A 126 7.653 3.744 10.094 1.00 0.00 O ATOM 1989 CB ALA A 126 9.326 2.086 12.514 1.00 0.00 C ATOM 0 H ALA A 126 7.318 1.807 13.888 1.00 0.00 H new ATOM 0 HA ALA A 126 8.364 4.000 12.463 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.084 2.362 11.780 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.721 2.238 13.518 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.060 1.037 12.384 1.00 0.00 H new ATOM 1995 N VAL A 127 6.874 1.691 10.601 1.00 0.00 N ATOM 1996 CA VAL A 127 6.266 1.462 9.298 1.00 0.00 C ATOM 1997 C VAL A 127 5.159 2.490 9.050 1.00 0.00 C ATOM 1998 O VAL A 127 5.142 3.066 7.968 1.00 0.00 O ATOM 1999 CB VAL A 127 5.801 -0.005 9.181 1.00 0.00 C ATOM 2000 CG1 VAL A 127 4.962 -0.258 7.920 1.00 0.00 C ATOM 2001 CG2 VAL A 127 7.029 -0.928 9.123 1.00 0.00 C ATOM 0 H VAL A 127 6.754 0.920 11.257 1.00 0.00 H new ATOM 0 HA VAL A 127 6.999 1.609 8.505 1.00 0.00 H new ATOM 0 HB VAL A 127 5.183 -0.212 10.055 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.661 -1.305 7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.074 0.374 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 127 5.554 -0.023 7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 127 6.702 -1.964 9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 127 7.638 -0.670 8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.620 -0.805 10.031 1.00 0.00 H new ATOM 2011 N TYR A 128 4.293 2.796 10.026 1.00 0.00 N ATOM 2012 CA TYR A 128 3.268 3.824 9.860 1.00 0.00 C ATOM 2013 C TYR A 128 3.923 5.155 9.490 1.00 0.00 C ATOM 2014 O TYR A 128 3.464 5.816 8.567 1.00 0.00 O ATOM 2015 CB TYR A 128 2.395 3.966 11.121 1.00 0.00 C ATOM 2016 CG TYR A 128 1.237 4.946 10.960 1.00 0.00 C ATOM 2017 CD1 TYR A 128 1.476 6.336 10.953 1.00 0.00 C ATOM 2018 CD2 TYR A 128 -0.077 4.472 10.767 1.00 0.00 C ATOM 2019 CE1 TYR A 128 0.437 7.242 10.682 1.00 0.00 C ATOM 2020 CE2 TYR A 128 -1.131 5.376 10.527 1.00 0.00 C ATOM 2021 CZ TYR A 128 -0.877 6.765 10.471 1.00 0.00 C ATOM 2022 OH TYR A 128 -1.898 7.632 10.216 1.00 0.00 O ATOM 0 H TYR A 128 4.286 2.342 10.939 1.00 0.00 H new ATOM 0 HA TYR A 128 2.606 3.519 9.049 1.00 0.00 H new ATOM 0 HB2 TYR A 128 1.996 2.987 11.388 1.00 0.00 H new ATOM 0 HB3 TYR A 128 3.022 4.292 11.951 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.469 6.708 11.158 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.276 3.411 10.803 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.642 8.301 10.635 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -2.136 5.006 10.385 1.00 0.00 H new ATOM 0 HH TYR A 128 -2.731 7.130 10.096 1.00 0.00 H new ATOM 2032 N THR A 129 5.005 5.541 10.169 1.00 0.00 N ATOM 2033 CA THR A 129 5.675 6.812 9.915 1.00 0.00 C ATOM 2034 C THR A 129 6.259 6.840 8.491 1.00 0.00 C ATOM 2035 O THR A 129 6.085 7.820 7.765 1.00 0.00 O ATOM 2036 CB THR A 129 6.748 7.038 10.999 1.00 0.00 C ATOM 2037 OG1 THR A 129 6.185 6.898 12.295 1.00 0.00 O ATOM 2038 CG2 THR A 129 7.366 8.437 10.915 1.00 0.00 C ATOM 0 H THR A 129 5.437 4.983 10.906 1.00 0.00 H new ATOM 0 HA THR A 129 4.959 7.632 9.971 1.00 0.00 H new ATOM 0 HB THR A 129 7.520 6.289 10.825 1.00 0.00 H new ATOM 0 HG1 THR A 129 6.048 5.948 12.491 1.00 0.00 H new ATOM 0 HG21 THR A 129 8.116 8.551 11.698 1.00 0.00 H new ATOM 0 HG22 THR A 129 7.835 8.569 9.940 1.00 0.00 H new ATOM 0 HG23 THR A 129 6.587 9.188 11.047 1.00 0.00 H new ATOM 2046 N LEU A 130 6.918 5.762 8.058 1.00 0.00 N ATOM 2047 CA LEU A 130 7.516 5.691 6.727 1.00 0.00 C ATOM 2048 C LEU A 130 6.439 5.639 5.637 1.00 0.00 C ATOM 2049 O LEU A 130 6.591 6.250 4.574 1.00 0.00 O ATOM 2050 CB LEU A 130 8.457 4.478 6.693 1.00 0.00 C ATOM 2051 CG LEU A 130 9.220 4.265 5.371 1.00 0.00 C ATOM 2052 CD1 LEU A 130 9.910 5.529 4.842 1.00 0.00 C ATOM 2053 CD2 LEU A 130 10.295 3.200 5.607 1.00 0.00 C ATOM 0 H LEU A 130 7.050 4.920 8.618 1.00 0.00 H new ATOM 0 HA LEU A 130 8.095 6.591 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.184 4.582 7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.873 3.582 6.904 1.00 0.00 H new ATOM 0 HG LEU A 130 8.485 3.966 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.425 5.299 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.164 6.303 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 130 10.632 5.884 5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 130 10.849 3.032 4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 130 10.979 3.540 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.822 2.269 5.921 1.00 0.00 H new ATOM 2065 N LEU A 131 5.321 4.961 5.904 1.00 0.00 N ATOM 2066 CA LEU A 131 4.166 4.964 5.019 1.00 0.00 C ATOM 2067 C LEU A 131 3.523 6.343 4.989 1.00 0.00 C ATOM 2068 O LEU A 131 3.085 6.747 3.924 1.00 0.00 O ATOM 2069 CB LEU A 131 3.116 3.928 5.451 1.00 0.00 C ATOM 2070 CG LEU A 131 3.505 2.460 5.202 1.00 0.00 C ATOM 2071 CD1 LEU A 131 2.388 1.568 5.741 1.00 0.00 C ATOM 2072 CD2 LEU A 131 3.721 2.148 3.720 1.00 0.00 C ATOM 0 H LEU A 131 5.196 4.395 6.743 1.00 0.00 H new ATOM 0 HA LEU A 131 4.523 4.701 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 131 2.915 4.059 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 131 2.185 4.135 4.923 1.00 0.00 H new ATOM 0 HG LEU A 131 4.450 2.274 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.645 0.522 5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.265 1.745 6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.456 1.800 5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.993 1.099 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.802 2.347 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.522 2.776 3.329 1.00 0.00 H new ATOM 2084 N GLU A 132 3.466 7.072 6.104 1.00 0.00 N ATOM 2085 CA GLU A 132 2.897 8.415 6.152 1.00 0.00 C ATOM 2086 C GLU A 132 3.704 9.347 5.247 1.00 0.00 C ATOM 2087 O GLU A 132 3.111 10.043 4.426 1.00 0.00 O ATOM 2088 CB GLU A 132 2.799 8.875 7.619 1.00 0.00 C ATOM 2089 CG GLU A 132 2.186 10.270 7.835 1.00 0.00 C ATOM 2090 CD GLU A 132 3.128 11.451 7.545 1.00 0.00 C ATOM 2091 OE1 GLU A 132 4.367 11.304 7.583 1.00 0.00 O ATOM 2092 OE2 GLU A 132 2.652 12.586 7.321 1.00 0.00 O ATOM 0 H GLU A 132 3.816 6.743 7.004 1.00 0.00 H new ATOM 0 HA GLU A 132 1.879 8.430 5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.205 8.147 8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.799 8.865 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 132 1.305 10.364 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 132 1.844 10.343 8.868 1.00 0.00 H new ATOM 2099 N ARG A 133 5.042 9.296 5.310 1.00 0.00 N ATOM 2100 CA ARG A 133 5.893 10.059 4.390 1.00 0.00 C ATOM 2101 C ARG A 133 5.584 9.683 2.943 1.00 0.00 C ATOM 2102 O ARG A 133 5.293 10.558 2.127 1.00 0.00 O ATOM 2103 CB ARG A 133 7.385 9.817 4.686 1.00 0.00 C ATOM 2104 CG ARG A 133 7.905 10.343 6.032 1.00 0.00 C ATOM 2105 CD ARG A 133 7.943 11.875 6.140 1.00 0.00 C ATOM 2106 NE ARG A 133 6.632 12.437 6.497 1.00 0.00 N ATOM 2107 CZ ARG A 133 6.308 13.729 6.579 1.00 0.00 C ATOM 2108 NH1 ARG A 133 7.183 14.679 6.260 1.00 0.00 N ATOM 2109 NH2 ARG A 133 5.087 14.049 6.988 1.00 0.00 N ATOM 0 H ARG A 133 5.557 8.734 5.988 1.00 0.00 H new ATOM 0 HA ARG A 133 5.679 11.118 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 133 7.573 8.744 4.642 1.00 0.00 H new ATOM 0 HB3 ARG A 133 7.971 10.276 3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 133 7.275 9.950 6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 133 8.910 9.954 6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 133 8.678 12.167 6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 133 8.271 12.297 5.190 1.00 0.00 H new ATOM 0 HE ARG A 133 5.891 11.768 6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 133 8.120 14.425 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 133 6.917 15.661 6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.422 13.315 7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 133 4.814 15.029 7.060 1.00 0.00 H new ATOM 2123 N SER A 134 5.623 8.389 2.633 1.00 0.00 N ATOM 2124 CA SER A 134 5.483 7.893 1.271 1.00 0.00 C ATOM 2125 C SER A 134 4.089 8.213 0.710 1.00 0.00 C ATOM 2126 O SER A 134 3.967 8.657 -0.431 1.00 0.00 O ATOM 2127 CB SER A 134 5.767 6.387 1.261 1.00 0.00 C ATOM 2128 OG SER A 134 7.032 6.095 1.833 1.00 0.00 O ATOM 0 H SER A 134 5.754 7.652 3.326 1.00 0.00 H new ATOM 0 HA SER A 134 6.203 8.392 0.623 1.00 0.00 H new ATOM 0 HB2 SER A 134 4.987 5.864 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 134 5.735 6.016 0.237 1.00 0.00 H new ATOM 0 HG SER A 134 6.965 6.130 2.810 1.00 0.00 H new ATOM 2134 N ALA A 135 3.043 8.039 1.519 1.00 0.00 N ATOM 2135 CA ALA A 135 1.668 8.333 1.142 1.00 0.00 C ATOM 2136 C ALA A 135 1.468 9.829 0.934 1.00 0.00 C ATOM 2137 O ALA A 135 0.830 10.224 -0.040 1.00 0.00 O ATOM 2138 CB ALA A 135 0.720 7.845 2.243 1.00 0.00 C ATOM 0 H ALA A 135 3.134 7.683 2.471 1.00 0.00 H new ATOM 0 HA ALA A 135 1.451 7.819 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.310 8.065 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.838 6.769 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.956 8.353 3.178 1.00 0.00 H new ATOM 2144 N ARG A 136 2.018 10.669 1.819 1.00 0.00 N ATOM 2145 CA ARG A 136 1.956 12.115 1.652 1.00 0.00 C ATOM 2146 C ARG A 136 2.660 12.508 0.360 1.00 0.00 C ATOM 2147 O ARG A 136 2.172 13.385 -0.340 1.00 0.00 O ATOM 2148 CB ARG A 136 2.561 12.814 2.880 1.00 0.00 C ATOM 2149 CG ARG A 136 2.334 14.335 2.860 1.00 0.00 C ATOM 2150 CD ARG A 136 2.931 15.016 4.097 1.00 0.00 C ATOM 2151 NE ARG A 136 2.276 14.586 5.344 1.00 0.00 N ATOM 2152 CZ ARG A 136 1.239 15.163 5.961 1.00 0.00 C ATOM 2153 NH1 ARG A 136 0.629 16.230 5.451 1.00 0.00 N ATOM 2154 NH2 ARG A 136 0.831 14.629 7.103 1.00 0.00 N ATOM 0 H ARG A 136 2.511 10.365 2.659 1.00 0.00 H new ATOM 0 HA ARG A 136 0.918 12.438 1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.122 12.396 3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.631 12.610 2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.782 14.758 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.265 14.542 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.996 14.792 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.837 16.097 3.994 1.00 0.00 H new ATOM 0 HE ARG A 136 2.658 13.751 5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.950 16.628 4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.160 16.650 5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.305 13.808 7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.043 15.039 7.605 1.00 0.00 H new ATOM 2168 N GLN A 137 3.768 11.858 0.007 1.00 0.00 N ATOM 2169 CA GLN A 137 4.484 12.127 -1.230 1.00 0.00 C ATOM 2170 C GLN A 137 3.690 11.646 -2.453 1.00 0.00 C ATOM 2171 O GLN A 137 3.635 12.365 -3.450 1.00 0.00 O ATOM 2172 CB GLN A 137 5.894 11.530 -1.133 1.00 0.00 C ATOM 2173 CG GLN A 137 6.750 12.401 -0.193 1.00 0.00 C ATOM 2174 CD GLN A 137 7.901 11.696 0.527 1.00 0.00 C ATOM 2175 OE1 GLN A 137 8.116 10.490 0.445 1.00 0.00 O ATOM 2176 NE2 GLN A 137 8.668 12.470 1.278 1.00 0.00 N ATOM 0 H GLN A 137 4.193 11.127 0.577 1.00 0.00 H new ATOM 0 HA GLN A 137 4.594 13.202 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 137 5.844 10.508 -0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.351 11.483 -2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 137 7.164 13.225 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 137 6.094 12.839 0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 137 8.479 13.471 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 137 9.448 12.066 1.797 1.00 0.00 H new ATOM 2185 N TRP A 138 2.996 10.504 -2.382 1.00 0.00 N ATOM 2186 CA TRP A 138 2.055 10.113 -3.433 1.00 0.00 C ATOM 2187 C TRP A 138 0.934 11.147 -3.580 1.00 0.00 C ATOM 2188 O TRP A 138 0.600 11.515 -4.706 1.00 0.00 O ATOM 2189 CB TRP A 138 1.511 8.692 -3.204 1.00 0.00 C ATOM 2190 CG TRP A 138 2.390 7.618 -3.770 1.00 0.00 C ATOM 2191 CD1 TRP A 138 3.227 6.810 -3.083 1.00 0.00 C ATOM 2192 CD2 TRP A 138 2.572 7.269 -5.176 1.00 0.00 C ATOM 2193 NE1 TRP A 138 3.963 6.046 -3.966 1.00 0.00 N ATOM 2194 CE2 TRP A 138 3.627 6.313 -5.277 1.00 0.00 C ATOM 2195 CE3 TRP A 138 1.979 7.707 -6.380 1.00 0.00 C ATOM 2196 CZ2 TRP A 138 4.112 5.865 -6.515 1.00 0.00 C ATOM 2197 CZ3 TRP A 138 2.434 7.235 -7.626 1.00 0.00 C ATOM 2198 CH2 TRP A 138 3.506 6.329 -7.694 1.00 0.00 C ATOM 0 H TRP A 138 3.069 9.839 -1.612 1.00 0.00 H new ATOM 0 HA TRP A 138 2.597 10.090 -4.378 1.00 0.00 H new ATOM 0 HB2 TRP A 138 1.391 8.526 -2.134 1.00 0.00 H new ATOM 0 HB3 TRP A 138 0.520 8.614 -3.652 1.00 0.00 H new ATOM 0 HD1 TRP A 138 3.308 6.768 -2.007 1.00 0.00 H new ATOM 0 HE1 TRP A 138 4.669 5.367 -3.684 1.00 0.00 H new ATOM 0 HE3 TRP A 138 1.164 8.415 -6.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 4.940 5.173 -6.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 1.956 7.571 -8.535 1.00 0.00 H new ATOM 0 HH2 TRP A 138 3.864 5.989 -8.654 1.00 0.00 H new ATOM 2209 N ALA A 139 0.391 11.666 -2.474 1.00 0.00 N ATOM 2210 CA ALA A 139 -0.611 12.726 -2.513 1.00 0.00 C ATOM 2211 C ALA A 139 -0.035 14.021 -3.105 1.00 0.00 C ATOM 2212 O ALA A 139 -0.682 14.669 -3.923 1.00 0.00 O ATOM 2213 CB ALA A 139 -1.168 12.960 -1.104 1.00 0.00 C ATOM 0 H ALA A 139 0.635 11.362 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.425 12.412 -3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.916 13.752 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -1.627 12.042 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.358 13.253 -0.436 1.00 0.00 H new ATOM 2219 N GLN A 140 1.196 14.383 -2.738 1.00 0.00 N ATOM 2220 CA GLN A 140 1.909 15.552 -3.248 1.00 0.00 C ATOM 2221 C GLN A 140 2.020 15.459 -4.775 1.00 0.00 C ATOM 2222 O GLN A 140 1.805 16.456 -5.464 1.00 0.00 O ATOM 2223 CB GLN A 140 3.282 15.629 -2.545 1.00 0.00 C ATOM 2224 CG GLN A 140 4.078 16.935 -2.690 1.00 0.00 C ATOM 2225 CD GLN A 140 4.605 17.206 -4.104 1.00 0.00 C ATOM 2226 OE1 GLN A 140 5.121 16.320 -4.780 1.00 0.00 O ATOM 2227 NE2 GLN A 140 4.500 18.435 -4.583 1.00 0.00 N ATOM 0 H GLN A 140 1.739 13.853 -2.057 1.00 0.00 H new ATOM 0 HA GLN A 140 1.370 16.474 -3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.127 15.445 -1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.900 14.814 -2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 140 3.443 17.768 -2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.922 16.910 -2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 140 4.071 19.168 -4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.848 18.650 -5.517 1.00 0.00 H new ATOM 2236 N ALA A 141 2.305 14.262 -5.303 1.00 0.00 N ATOM 2237 CA ALA A 141 2.392 14.046 -6.740 1.00 0.00 C ATOM 2238 C ALA A 141 1.008 14.130 -7.379 1.00 0.00 C ATOM 2239 O ALA A 141 0.825 14.903 -8.313 1.00 0.00 O ATOM 2240 CB ALA A 141 3.037 12.693 -7.025 1.00 0.00 C ATOM 0 H ALA A 141 2.479 13.426 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 141 3.014 14.828 -7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 141 3.098 12.539 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 141 4.039 12.671 -6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 141 2.435 11.902 -6.579 1.00 0.00 H new ATOM 2246 N LEU A 142 0.028 13.383 -6.859 1.00 0.00 N ATOM 2247 CA LEU A 142 -1.361 13.393 -7.335 1.00 0.00 C ATOM 2248 C LEU A 142 -1.915 14.819 -7.431 1.00 0.00 C ATOM 2249 O LEU A 142 -2.571 15.164 -8.415 1.00 0.00 O ATOM 2250 CB LEU A 142 -2.247 12.555 -6.392 1.00 0.00 C ATOM 2251 CG LEU A 142 -2.205 11.040 -6.667 1.00 0.00 C ATOM 2252 CD1 LEU A 142 -2.730 10.273 -5.449 1.00 0.00 C ATOM 2253 CD2 LEU A 142 -3.066 10.683 -7.887 1.00 0.00 C ATOM 0 H LEU A 142 0.180 12.742 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.372 12.958 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.935 12.735 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -3.277 12.900 -6.478 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.170 10.762 -6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -2.697 9.202 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -2.109 10.498 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -3.758 10.572 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -3.021 9.608 -8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -4.099 10.978 -7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -2.690 11.209 -8.764 1.00 0.00 H new