USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 934 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 78 MET CE :methyl -156:sc= -0.639 (180deg=-0.821) USER MOD Set 1.2: A 88 GLN : amide:sc= -4.61! K(o=-5.2!,f=-6.3) USER MOD Set 2.1: A 53 ASN : amide:sc= -3.05! K(o=-3.9!,f=-1.6) USER MOD Set 2.2: A 57 THR OG1 : rot -90:sc= -0.889 USER MOD Set 3.1: A 7 ASN : amide:sc= 0.0555 K(o=-0.055,f=-1.7) USER MOD Set 3.2: A 10 ASN : amide:sc= -0.11 K(o=-0.055,f=-3.5!) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 136:sc= 1.17 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0263) USER MOD Single : A 16 MET CE :methyl -140:sc= -0.119 (180deg=-0.667) USER MOD Single : A 18 GLN : amide:sc= -0.551 K(o=-0.55,f=-0.0054) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= -0.171 (180deg=-0.629) USER MOD Single : A 24 SER OG : rot -46:sc= 0.709 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.844 K(o=-0.84,f=-4.7!) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.13) USER MOD Single : A 41 TYR OH : rot 85:sc= 1.23 USER MOD Single : A 43 MET CE :methyl -125:sc= -2.17 (180deg=-5.14!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -125:sc= -2.1! (180deg=-4.88!) USER MOD Single : A 67 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.41) USER MOD Single : A 69 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-2.6!) USER MOD Single : A 70 HIS : no HD1:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.79!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= 1.26 (180deg=0.715) USER MOD Single : A 80 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.39) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -115:sc= -0.271 (180deg=-2.86) USER MOD Single : A 89 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.74) USER MOD Single : A 95 HIS : no HD1:sc=-0.000813 X(o=-0.00081,f=-0.00081) USER MOD Single : A 99 LYS NZ :NH3+ -134:sc= -0.112 (180deg=-0.492) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.0248 K(o=-0.025,f=-3.3!) USER MOD Single : A 107 LYS NZ :NH3+ 157:sc= -0.165 (180deg=-0.678) USER MOD Single : A 109 MET CE :methyl -142:sc= -0.0796 (180deg=-0.479) USER MOD Single : A 110 LYS NZ :NH3+ 171:sc= 2.21 (180deg=2.12) USER MOD Single : A 111 THR OG1 : rot -26:sc= 0.113 USER MOD Single : A 116 MET CE :methyl 157:sc= -0.21 (180deg=-1.25) USER MOD Single : A 119 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0666) USER MOD Single : A 120 LYS NZ :NH3+ 163:sc= -0.0452 (180deg=-0.293) USER MOD Single : A 123 HIS : no HD1:sc= -0.951 K(o=-0.95,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N PRO A 2 -8.848 -14.221 0.355 1.00 0.00 N ATOM 15 CA PRO A 2 -9.723 -13.044 0.291 1.00 0.00 C ATOM 16 C PRO A 2 -9.337 -12.007 1.342 1.00 0.00 C ATOM 17 O PRO A 2 -9.627 -10.820 1.199 1.00 0.00 O ATOM 18 CB PRO A 2 -11.121 -13.607 0.584 1.00 0.00 C ATOM 19 CG PRO A 2 -10.998 -15.084 0.411 1.00 0.00 C ATOM 20 CD PRO A 2 -9.581 -15.427 0.764 1.00 0.00 C ATOM 0 HA PRO A 2 -9.659 -12.535 -0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.442 -13.355 1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.863 -13.192 -0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.699 -15.612 1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.226 -15.377 -0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.466 -15.630 1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.234 -16.313 0.232 1.00 0.00 H new ATOM 28 N GLU A 3 -8.663 -12.481 2.381 1.00 0.00 N ATOM 29 CA GLU A 3 -8.183 -11.632 3.468 1.00 0.00 C ATOM 30 C GLU A 3 -7.349 -10.463 2.934 1.00 0.00 C ATOM 31 O GLU A 3 -7.760 -9.309 3.045 1.00 0.00 O ATOM 32 CB GLU A 3 -7.357 -12.459 4.460 1.00 0.00 C ATOM 33 CG GLU A 3 -7.978 -13.807 4.809 1.00 0.00 C ATOM 34 CD GLU A 3 -9.440 -13.712 5.198 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.736 -13.385 6.362 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.303 -13.981 4.332 1.00 0.00 O ATOM 0 H GLU A 3 -8.432 -13.468 2.496 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.052 -11.220 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.364 -12.625 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.224 -11.883 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.880 -14.476 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.419 -14.255 5.631 1.00 0.00 H new ATOM 43 N ILE A 4 -6.186 -10.760 2.345 1.00 0.00 N ATOM 44 CA ILE A 4 -5.342 -9.721 1.775 1.00 0.00 C ATOM 45 C ILE A 4 -5.946 -9.164 0.485 1.00 0.00 C ATOM 46 O ILE A 4 -5.554 -8.103 0.007 1.00 0.00 O ATOM 47 CB ILE A 4 -3.910 -10.245 1.490 1.00 0.00 C ATOM 48 CG1 ILE A 4 -2.944 -9.076 1.289 1.00 0.00 C ATOM 49 CG2 ILE A 4 -3.891 -11.162 0.270 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.879 -8.129 2.474 1.00 0.00 C ATOM 0 H ILE A 4 -5.815 -11.706 2.254 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.282 -8.922 2.514 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.587 -10.825 2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.946 -9.470 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.244 -8.516 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.874 -11.514 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.545 -12.016 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.240 -10.612 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.174 -7.326 2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.867 -7.706 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.549 -8.675 3.358 1.00 0.00 H new ATOM 62 N MET A 5 -6.914 -9.886 -0.065 1.00 0.00 N ATOM 63 CA MET A 5 -7.549 -9.492 -1.309 1.00 0.00 C ATOM 64 C MET A 5 -8.429 -8.270 -1.078 1.00 0.00 C ATOM 65 O MET A 5 -8.708 -7.502 -2.000 1.00 0.00 O ATOM 66 CB MET A 5 -8.374 -10.657 -1.851 1.00 0.00 C ATOM 67 CG MET A 5 -8.690 -10.559 -3.333 1.00 0.00 C ATOM 68 SD MET A 5 -9.550 -12.019 -3.948 1.00 0.00 S ATOM 69 CE MET A 5 -9.678 -11.623 -5.691 1.00 0.00 C ATOM 0 H MET A 5 -7.276 -10.751 0.336 1.00 0.00 H new ATOM 0 HA MET A 5 -6.786 -9.231 -2.042 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.835 -11.586 -1.666 1.00 0.00 H new ATOM 0 HB3 MET A 5 -9.309 -10.715 -1.294 1.00 0.00 H new ATOM 0 HG2 MET A 5 -9.303 -9.676 -3.514 1.00 0.00 H new ATOM 0 HG3 MET A 5 -7.764 -10.424 -3.891 1.00 0.00 H new ATOM 0 HE1 MET A 5 -10.189 -12.433 -6.212 1.00 0.00 H new ATOM 0 HE2 MET A 5 -10.243 -10.699 -5.814 1.00 0.00 H new ATOM 0 HE3 MET A 5 -8.680 -11.496 -6.109 1.00 0.00 H new ATOM 79 N LYS A 6 -8.873 -8.110 0.162 1.00 0.00 N ATOM 80 CA LYS A 6 -9.625 -6.934 0.567 1.00 0.00 C ATOM 81 C LYS A 6 -8.708 -5.957 1.298 1.00 0.00 C ATOM 82 O LYS A 6 -8.489 -6.084 2.505 1.00 0.00 O ATOM 83 CB LYS A 6 -10.784 -7.340 1.477 1.00 0.00 C ATOM 84 CG LYS A 6 -11.694 -8.384 0.856 1.00 0.00 C ATOM 85 CD LYS A 6 -12.564 -9.059 1.901 1.00 0.00 C ATOM 86 CE LYS A 6 -13.306 -10.246 1.312 1.00 0.00 C ATOM 87 NZ LYS A 6 -14.008 -11.033 2.356 1.00 0.00 N ATOM 0 H LYS A 6 -8.722 -8.788 0.909 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.027 -6.448 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.383 -7.727 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.371 -6.455 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.327 -7.914 0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.092 -9.134 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.945 -9.391 2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.280 -8.341 2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.028 -9.894 0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.602 -10.889 0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.502 -11.834 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.316 -11.391 3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.699 -10.426 2.842 1.00 0.00 H new ATOM 101 N ASN A 7 -8.157 -5.005 0.559 1.00 0.00 N ATOM 102 CA ASN A 7 -7.244 -4.022 1.130 1.00 0.00 C ATOM 103 C ASN A 7 -7.971 -3.158 2.154 1.00 0.00 C ATOM 104 O ASN A 7 -9.118 -2.761 1.937 1.00 0.00 O ATOM 105 CB ASN A 7 -6.644 -3.148 0.022 1.00 0.00 C ATOM 106 CG ASN A 7 -5.685 -2.090 0.547 1.00 0.00 C ATOM 107 OD1 ASN A 7 -5.052 -2.264 1.588 1.00 0.00 O ATOM 108 ND2 ASN A 7 -5.571 -0.984 -0.174 1.00 0.00 N ATOM 0 H ASN A 7 -8.326 -4.891 -0.440 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.433 -4.549 1.634 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.118 -3.785 -0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.451 -2.659 -0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.942 -0.240 0.129 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.112 -0.876 -1.032 1.00 0.00 H new ATOM 115 N LEU A 8 -7.303 -2.873 3.266 1.00 0.00 N ATOM 116 CA LEU A 8 -7.900 -2.096 4.347 1.00 0.00 C ATOM 117 C LEU A 8 -8.359 -0.734 3.843 1.00 0.00 C ATOM 118 O LEU A 8 -9.455 -0.283 4.171 1.00 0.00 O ATOM 119 CB LEU A 8 -6.917 -1.921 5.515 1.00 0.00 C ATOM 120 CG LEU A 8 -6.637 -3.180 6.346 1.00 0.00 C ATOM 121 CD1 LEU A 8 -5.771 -4.170 5.580 1.00 0.00 C ATOM 122 CD2 LEU A 8 -5.981 -2.805 7.667 1.00 0.00 C ATOM 0 H LEU A 8 -6.343 -3.170 3.443 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.768 -2.648 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.971 -1.553 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.305 -1.149 6.179 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.591 -3.666 6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.592 -5.050 6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.281 -4.467 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.819 -3.703 5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.788 -3.708 8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.040 -2.290 7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.645 -2.148 8.229 1.00 0.00 H new ATOM 134 N SER A 9 -7.527 -0.094 3.028 1.00 0.00 N ATOM 135 CA SER A 9 -7.863 1.208 2.466 1.00 0.00 C ATOM 136 C SER A 9 -9.109 1.115 1.581 1.00 0.00 C ATOM 137 O SER A 9 -9.944 2.022 1.577 1.00 0.00 O ATOM 138 CB SER A 9 -6.680 1.755 1.663 1.00 0.00 C ATOM 139 OG SER A 9 -5.498 1.787 2.453 1.00 0.00 O ATOM 0 H SER A 9 -6.617 -0.455 2.743 1.00 0.00 H new ATOM 0 HA SER A 9 -8.080 1.891 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.516 1.134 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.911 2.759 1.307 1.00 0.00 H new ATOM 0 HG SER A 9 -4.745 1.442 1.929 1.00 0.00 H new ATOM 145 N ASN A 10 -9.237 0.001 0.861 1.00 0.00 N ATOM 146 CA ASN A 10 -10.365 -0.207 -0.048 1.00 0.00 C ATOM 147 C ASN A 10 -11.635 -0.531 0.724 1.00 0.00 C ATOM 148 O ASN A 10 -12.728 -0.112 0.341 1.00 0.00 O ATOM 149 CB ASN A 10 -10.076 -1.350 -1.033 1.00 0.00 C ATOM 150 CG ASN A 10 -8.992 -1.017 -2.040 1.00 0.00 C ATOM 151 OD1 ASN A 10 -8.069 -0.257 -1.756 1.00 0.00 O ATOM 152 ND2 ASN A 10 -9.091 -1.595 -3.228 1.00 0.00 N ATOM 0 H ASN A 10 -8.573 -0.773 0.889 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.506 0.721 -0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.781 -2.237 -0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -10.993 -1.601 -1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.386 -1.415 -3.943 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.872 -2.220 -3.427 1.00 0.00 H new ATOM 159 N ASN A 11 -11.485 -1.286 1.807 1.00 0.00 N ATOM 160 CA ASN A 11 -12.626 -1.672 2.628 1.00 0.00 C ATOM 161 C ASN A 11 -13.183 -0.454 3.348 1.00 0.00 C ATOM 162 O ASN A 11 -14.374 -0.156 3.248 1.00 0.00 O ATOM 163 CB ASN A 11 -12.227 -2.750 3.641 1.00 0.00 C ATOM 164 CG ASN A 11 -13.408 -3.246 4.456 1.00 0.00 C ATOM 165 OD1 ASN A 11 -14.548 -3.246 3.989 1.00 0.00 O ATOM 166 ND2 ASN A 11 -13.143 -3.672 5.682 1.00 0.00 N ATOM 0 H ASN A 11 -10.587 -1.642 2.136 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.397 -2.085 1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.775 -3.590 3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.468 -2.350 4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.897 -4.016 6.276 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.185 -3.656 6.032 1.00 0.00 H new ATOM 173 N PHE A 12 -12.320 0.225 4.099 1.00 0.00 N ATOM 174 CA PHE A 12 -12.665 1.527 4.681 1.00 0.00 C ATOM 175 C PHE A 12 -13.274 2.488 3.641 1.00 0.00 C ATOM 176 O PHE A 12 -14.477 2.744 3.679 1.00 0.00 O ATOM 177 CB PHE A 12 -11.446 2.178 5.343 1.00 0.00 C ATOM 178 CG PHE A 12 -11.125 1.624 6.705 1.00 0.00 C ATOM 179 CD1 PHE A 12 -11.886 1.983 7.807 1.00 0.00 C ATOM 180 CD2 PHE A 12 -10.063 0.756 6.887 1.00 0.00 C ATOM 181 CE1 PHE A 12 -11.594 1.485 9.061 1.00 0.00 C ATOM 182 CE2 PHE A 12 -9.766 0.252 8.139 1.00 0.00 C ATOM 183 CZ PHE A 12 -10.533 0.618 9.227 1.00 0.00 C ATOM 0 H PHE A 12 -11.379 -0.100 4.321 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.422 1.335 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.579 2.048 4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.621 3.250 5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.718 2.661 7.683 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.458 0.469 6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.195 1.773 9.911 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.936 -0.427 8.266 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.303 0.226 10.207 1.00 0.00 H new ATOM 193 N GLY A 13 -12.454 3.015 2.712 1.00 0.00 N ATOM 194 CA GLY A 13 -12.948 3.971 1.729 1.00 0.00 C ATOM 195 C GLY A 13 -13.650 5.176 2.343 1.00 0.00 C ATOM 196 O GLY A 13 -14.545 5.749 1.727 1.00 0.00 O ATOM 0 H GLY A 13 -11.462 2.793 2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.112 4.319 1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.639 3.463 1.057 1.00 0.00 H new ATOM 200 N LYS A 14 -13.247 5.563 3.552 1.00 0.00 N ATOM 201 CA LYS A 14 -13.864 6.679 4.251 1.00 0.00 C ATOM 202 C LYS A 14 -13.222 7.997 3.835 1.00 0.00 C ATOM 203 O LYS A 14 -13.896 9.015 3.700 1.00 0.00 O ATOM 204 CB LYS A 14 -13.742 6.469 5.764 1.00 0.00 C ATOM 205 CG LYS A 14 -14.434 7.531 6.605 1.00 0.00 C ATOM 206 CD LYS A 14 -14.416 7.158 8.079 1.00 0.00 C ATOM 207 CE LYS A 14 -15.124 8.195 8.938 1.00 0.00 C ATOM 208 NZ LYS A 14 -14.385 9.485 8.985 1.00 0.00 N ATOM 0 H LYS A 14 -12.490 5.114 4.067 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.920 6.724 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.158 5.494 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.685 6.444 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.939 8.492 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.464 7.651 6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.895 6.188 8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.384 7.053 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.126 8.367 8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.240 7.808 9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.858 10.132 9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.410 9.315 9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.370 9.911 8.036 1.00 0.00 H new ATOM 222 N ALA A 15 -11.912 7.970 3.622 1.00 0.00 N ATOM 223 CA ALA A 15 -11.175 9.178 3.281 1.00 0.00 C ATOM 224 C ALA A 15 -10.049 8.881 2.295 1.00 0.00 C ATOM 225 O ALA A 15 -8.885 9.192 2.547 1.00 0.00 O ATOM 226 CB ALA A 15 -10.621 9.829 4.542 1.00 0.00 C ATOM 0 H ALA A 15 -11.341 7.127 3.679 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.865 9.870 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.072 10.732 4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.443 10.089 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.951 9.133 5.047 1.00 0.00 H new ATOM 232 N MET A 16 -10.404 8.291 1.164 1.00 0.00 N ATOM 233 CA MET A 16 -9.427 7.957 0.132 1.00 0.00 C ATOM 234 C MET A 16 -8.951 9.226 -0.571 1.00 0.00 C ATOM 235 O MET A 16 -7.771 9.376 -0.883 1.00 0.00 O ATOM 236 CB MET A 16 -10.043 6.985 -0.882 1.00 0.00 C ATOM 237 CG MET A 16 -9.104 6.590 -2.012 1.00 0.00 C ATOM 238 SD MET A 16 -9.877 5.462 -3.191 1.00 0.00 S ATOM 239 CE MET A 16 -10.213 4.051 -2.138 1.00 0.00 C ATOM 0 H MET A 16 -11.363 8.032 0.935 1.00 0.00 H new ATOM 0 HA MET A 16 -8.569 7.475 0.601 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.363 6.084 -0.358 1.00 0.00 H new ATOM 0 HB3 MET A 16 -10.937 7.440 -1.309 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.773 7.487 -2.536 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.215 6.119 -1.593 1.00 0.00 H new ATOM 0 HE1 MET A 16 -10.003 3.131 -2.684 1.00 0.00 H new ATOM 0 HE2 MET A 16 -9.580 4.099 -1.252 1.00 0.00 H new ATOM 0 HE3 MET A 16 -11.260 4.063 -1.837 1.00 0.00 H new ATOM 249 N ASP A 17 -9.884 10.142 -0.783 1.00 0.00 N ATOM 250 CA ASP A 17 -9.607 11.407 -1.459 1.00 0.00 C ATOM 251 C ASP A 17 -8.572 12.236 -0.711 1.00 0.00 C ATOM 252 O ASP A 17 -7.741 12.912 -1.320 1.00 0.00 O ATOM 253 CB ASP A 17 -10.899 12.212 -1.601 1.00 0.00 C ATOM 254 CG ASP A 17 -10.674 13.565 -2.247 1.00 0.00 C ATOM 255 OD1 ASP A 17 -10.332 13.607 -3.450 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.856 14.594 -1.561 1.00 0.00 O ATOM 0 H ASP A 17 -10.856 10.032 -0.492 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.201 11.173 -2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.614 11.643 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.345 12.353 -0.617 1.00 0.00 H new ATOM 261 N GLN A 18 -8.591 12.155 0.607 1.00 0.00 N ATOM 262 CA GLN A 18 -7.779 13.056 1.406 1.00 0.00 C ATOM 263 C GLN A 18 -6.403 12.472 1.680 1.00 0.00 C ATOM 264 O GLN A 18 -5.447 13.216 1.882 1.00 0.00 O ATOM 265 CB GLN A 18 -8.478 13.439 2.710 1.00 0.00 C ATOM 266 CG GLN A 18 -9.675 14.362 2.514 1.00 0.00 C ATOM 267 CD GLN A 18 -9.951 15.222 3.734 1.00 0.00 C ATOM 268 OE1 GLN A 18 -10.504 16.313 3.620 1.00 0.00 O ATOM 269 NE2 GLN A 18 -9.544 14.754 4.906 1.00 0.00 N ATOM 0 H GLN A 18 -9.149 11.488 1.140 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.645 13.967 0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.809 12.531 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.759 13.926 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.496 15.006 1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.558 13.764 2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.088 13.843 4.961 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.687 15.305 5.753 1.00 0.00 H new ATOM 278 N CYS A 19 -6.282 11.151 1.658 1.00 0.00 N ATOM 279 CA CYS A 19 -4.968 10.541 1.780 1.00 0.00 C ATOM 280 C CYS A 19 -4.232 10.717 0.456 1.00 0.00 C ATOM 281 O CYS A 19 -3.015 10.895 0.418 1.00 0.00 O ATOM 282 CB CYS A 19 -5.063 9.061 2.169 1.00 0.00 C ATOM 283 SG CYS A 19 -5.506 7.934 0.807 1.00 0.00 S ATOM 0 H CYS A 19 -7.058 10.496 1.559 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.415 11.034 2.580 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.105 8.747 2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.803 8.956 2.963 1.00 0.00 H new ATOM 288 N LYS A 20 -5.006 10.697 -0.627 1.00 0.00 N ATOM 289 CA LYS A 20 -4.512 10.997 -1.964 1.00 0.00 C ATOM 290 C LYS A 20 -3.880 12.384 -2.004 1.00 0.00 C ATOM 291 O LYS A 20 -2.745 12.549 -2.455 1.00 0.00 O ATOM 292 CB LYS A 20 -5.683 10.891 -2.956 1.00 0.00 C ATOM 293 CG LYS A 20 -5.685 11.899 -4.102 1.00 0.00 C ATOM 294 CD LYS A 20 -4.657 11.575 -5.169 1.00 0.00 C ATOM 295 CE LYS A 20 -4.811 12.489 -6.376 1.00 0.00 C ATOM 296 NZ LYS A 20 -6.167 12.388 -6.980 1.00 0.00 N ATOM 0 H LYS A 20 -6.000 10.470 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.739 10.281 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.682 9.888 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.614 11.001 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.676 11.926 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.489 12.895 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.654 11.680 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.766 10.536 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.623 13.520 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.061 12.232 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.138 12.740 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.475 11.395 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.837 12.959 -6.426 1.00 0.00 H new ATOM 310 N ASP A 21 -4.613 13.369 -1.510 1.00 0.00 N ATOM 311 CA ASP A 21 -4.136 14.743 -1.523 1.00 0.00 C ATOM 312 C ASP A 21 -2.987 14.933 -0.537 1.00 0.00 C ATOM 313 O ASP A 21 -1.984 15.569 -0.862 1.00 0.00 O ATOM 314 CB ASP A 21 -5.276 15.710 -1.195 1.00 0.00 C ATOM 315 CG ASP A 21 -4.858 17.162 -1.326 1.00 0.00 C ATOM 316 OD1 ASP A 21 -4.320 17.723 -0.354 1.00 0.00 O ATOM 317 OD2 ASP A 21 -5.075 17.753 -2.406 1.00 0.00 O ATOM 0 H ASP A 21 -5.537 13.244 -1.097 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.767 14.960 -2.525 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.117 15.515 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.625 15.525 -0.179 1.00 0.00 H new ATOM 322 N GLU A 22 -3.117 14.354 0.653 1.00 0.00 N ATOM 323 CA GLU A 22 -2.127 14.544 1.707 1.00 0.00 C ATOM 324 C GLU A 22 -0.778 13.935 1.320 1.00 0.00 C ATOM 325 O GLU A 22 0.274 14.488 1.643 1.00 0.00 O ATOM 326 CB GLU A 22 -2.611 13.932 3.019 1.00 0.00 C ATOM 327 CG GLU A 22 -2.003 14.587 4.247 1.00 0.00 C ATOM 328 CD GLU A 22 -2.396 13.897 5.537 1.00 0.00 C ATOM 329 OE1 GLU A 22 -3.590 13.564 5.704 1.00 0.00 O ATOM 330 OE2 GLU A 22 -1.513 13.697 6.396 1.00 0.00 O ATOM 0 H GLU A 22 -3.897 13.750 0.911 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.995 15.618 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.697 14.014 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.371 12.869 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.917 14.583 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.316 15.630 4.289 1.00 0.00 H new ATOM 337 N LEU A 23 -0.809 12.804 0.616 1.00 0.00 N ATOM 338 CA LEU A 23 0.425 12.135 0.194 1.00 0.00 C ATOM 339 C LEU A 23 0.992 12.789 -1.053 1.00 0.00 C ATOM 340 O LEU A 23 2.063 12.418 -1.537 1.00 0.00 O ATOM 341 CB LEU A 23 0.191 10.641 -0.062 1.00 0.00 C ATOM 342 CG LEU A 23 -0.287 9.849 1.147 1.00 0.00 C ATOM 343 CD1 LEU A 23 -0.030 8.363 0.957 1.00 0.00 C ATOM 344 CD2 LEU A 23 0.400 10.375 2.385 1.00 0.00 C ATOM 0 H LEU A 23 -1.667 12.333 0.327 1.00 0.00 H new ATOM 0 HA LEU A 23 1.145 12.236 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.543 10.535 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.120 10.200 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.364 9.974 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.380 7.818 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.564 8.011 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.039 8.192 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.062 9.812 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.479 10.264 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.155 11.429 2.517 1.00 0.00 H new ATOM 356 N SER A 24 0.251 13.761 -1.562 1.00 0.00 N ATOM 357 CA SER A 24 0.649 14.522 -2.735 1.00 0.00 C ATOM 358 C SER A 24 0.693 13.627 -3.974 1.00 0.00 C ATOM 359 O SER A 24 1.450 13.892 -4.909 1.00 0.00 O ATOM 360 CB SER A 24 2.013 15.191 -2.494 1.00 0.00 C ATOM 361 OG SER A 24 2.382 16.046 -3.566 1.00 0.00 O ATOM 0 H SER A 24 -0.647 14.045 -1.171 1.00 0.00 H new ATOM 0 HA SER A 24 -0.093 15.301 -2.912 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.977 15.765 -1.568 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.776 14.423 -2.363 1.00 0.00 H new ATOM 0 HG SER A 24 2.221 15.590 -4.418 1.00 0.00 H new ATOM 367 N LEU A 25 -0.123 12.567 -3.978 1.00 0.00 N ATOM 368 CA LEU A 25 -0.217 11.686 -5.146 1.00 0.00 C ATOM 369 C LEU A 25 -0.560 12.479 -6.403 1.00 0.00 C ATOM 370 O LEU A 25 -1.601 13.133 -6.462 1.00 0.00 O ATOM 371 CB LEU A 25 -1.298 10.621 -4.931 1.00 0.00 C ATOM 372 CG LEU A 25 -0.906 9.393 -4.097 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.295 9.671 -3.212 1.00 0.00 C ATOM 374 CD2 LEU A 25 -2.080 8.955 -3.245 1.00 0.00 C ATOM 0 H LEU A 25 -0.721 12.301 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 25 0.754 11.208 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.153 11.098 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.632 10.274 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.632 8.596 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.539 8.777 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.147 9.949 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.062 10.488 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.796 8.083 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.368 9.767 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.921 8.699 -3.889 1.00 0.00 H new ATOM 386 N PRO A 26 0.314 12.443 -7.419 1.00 0.00 N ATOM 387 CA PRO A 26 0.043 13.055 -8.717 1.00 0.00 C ATOM 388 C PRO A 26 -0.946 12.225 -9.529 1.00 0.00 C ATOM 389 O PRO A 26 -1.086 11.018 -9.313 1.00 0.00 O ATOM 390 CB PRO A 26 1.419 13.088 -9.406 1.00 0.00 C ATOM 391 CG PRO A 26 2.403 12.724 -8.343 1.00 0.00 C ATOM 392 CD PRO A 26 1.653 11.852 -7.385 1.00 0.00 C ATOM 0 HA PRO A 26 -0.409 14.042 -8.621 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.459 12.384 -10.237 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.630 14.076 -9.815 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.259 12.198 -8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.789 13.613 -7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.647 10.809 -7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.085 11.879 -6.385 1.00 0.00 H new ATOM 400 N ASP A 27 -1.619 12.872 -10.468 1.00 0.00 N ATOM 401 CA ASP A 27 -2.659 12.225 -11.263 1.00 0.00 C ATOM 402 C ASP A 27 -2.094 11.142 -12.179 1.00 0.00 C ATOM 403 O ASP A 27 -2.811 10.226 -12.574 1.00 0.00 O ATOM 404 CB ASP A 27 -3.449 13.263 -12.068 1.00 0.00 C ATOM 405 CG ASP A 27 -2.580 14.137 -12.956 1.00 0.00 C ATOM 406 OD1 ASP A 27 -1.628 14.762 -12.441 1.00 0.00 O ATOM 407 OD2 ASP A 27 -2.868 14.235 -14.168 1.00 0.00 O ATOM 0 H ASP A 27 -1.464 13.853 -10.702 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.338 11.733 -10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.183 12.748 -12.687 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.004 13.899 -11.378 1.00 0.00 H new ATOM 412 N SER A 28 -0.811 11.228 -12.494 1.00 0.00 N ATOM 413 CA SER A 28 -0.152 10.195 -13.285 1.00 0.00 C ATOM 414 C SER A 28 -0.040 8.888 -12.488 1.00 0.00 C ATOM 415 O SER A 28 -0.251 7.790 -13.020 1.00 0.00 O ATOM 416 CB SER A 28 1.229 10.688 -13.714 1.00 0.00 C ATOM 417 OG SER A 28 1.882 11.355 -12.642 1.00 0.00 O ATOM 0 H SER A 28 -0.205 12.000 -12.216 1.00 0.00 H new ATOM 0 HA SER A 28 -0.749 9.991 -14.174 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.834 9.845 -14.046 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.131 11.364 -14.563 1.00 0.00 H new ATOM 0 HG SER A 28 2.765 11.661 -12.937 1.00 0.00 H new ATOM 423 N VAL A 29 0.262 9.023 -11.202 1.00 0.00 N ATOM 424 CA VAL A 29 0.413 7.876 -10.315 1.00 0.00 C ATOM 425 C VAL A 29 -0.938 7.224 -10.057 1.00 0.00 C ATOM 426 O VAL A 29 -1.097 6.017 -10.238 1.00 0.00 O ATOM 427 CB VAL A 29 1.046 8.288 -8.968 1.00 0.00 C ATOM 428 CG1 VAL A 29 1.161 7.097 -8.021 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.407 8.919 -9.202 1.00 0.00 C ATOM 0 H VAL A 29 0.408 9.924 -10.747 1.00 0.00 H new ATOM 0 HA VAL A 29 1.075 7.164 -10.808 1.00 0.00 H new ATOM 0 HB VAL A 29 0.393 9.022 -8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.610 7.421 -7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.169 6.689 -7.827 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.786 6.329 -8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.844 9.206 -8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.060 8.202 -9.699 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.295 9.803 -9.829 1.00 0.00 H new ATOM 439 N VAL A 30 -1.917 8.037 -9.665 1.00 0.00 N ATOM 440 CA VAL A 30 -3.257 7.537 -9.374 1.00 0.00 C ATOM 441 C VAL A 30 -3.847 6.845 -10.605 1.00 0.00 C ATOM 442 O VAL A 30 -4.559 5.850 -10.491 1.00 0.00 O ATOM 443 CB VAL A 30 -4.198 8.666 -8.900 1.00 0.00 C ATOM 444 CG1 VAL A 30 -3.591 9.381 -7.712 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.510 9.654 -10.011 1.00 0.00 C ATOM 0 H VAL A 30 -1.807 9.044 -9.542 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.168 6.814 -8.563 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.141 8.207 -8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.261 10.176 -7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.443 8.672 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.631 9.811 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.175 10.430 -9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.585 10.109 -10.363 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.995 9.132 -10.836 1.00 0.00 H new ATOM 455 N ALA A 31 -3.495 7.356 -11.781 1.00 0.00 N ATOM 456 CA ALA A 31 -3.977 6.809 -13.044 1.00 0.00 C ATOM 457 C ALA A 31 -3.480 5.390 -13.262 1.00 0.00 C ATOM 458 O ALA A 31 -4.263 4.490 -13.576 1.00 0.00 O ATOM 459 CB ALA A 31 -3.517 7.678 -14.194 1.00 0.00 C ATOM 0 H ALA A 31 -2.871 8.156 -11.885 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.066 6.792 -13.002 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.882 7.262 -15.133 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.910 8.687 -14.067 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.428 7.712 -14.211 1.00 0.00 H new ATOM 465 N ASP A 32 -2.175 5.194 -13.109 1.00 0.00 N ATOM 466 CA ASP A 32 -1.585 3.869 -13.276 1.00 0.00 C ATOM 467 C ASP A 32 -2.115 2.925 -12.208 1.00 0.00 C ATOM 468 O ASP A 32 -2.383 1.752 -12.467 1.00 0.00 O ATOM 469 CB ASP A 32 -0.060 3.945 -13.194 1.00 0.00 C ATOM 470 CG ASP A 32 0.597 2.588 -13.364 1.00 0.00 C ATOM 471 OD1 ASP A 32 0.793 2.161 -14.524 1.00 0.00 O ATOM 472 OD2 ASP A 32 0.929 1.946 -12.347 1.00 0.00 O ATOM 0 H ASP A 32 -1.509 5.929 -12.871 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.862 3.489 -14.259 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.309 4.623 -13.963 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.229 4.367 -12.232 1.00 0.00 H new ATOM 477 N LEU A 33 -2.296 3.472 -11.020 1.00 0.00 N ATOM 478 CA LEU A 33 -2.810 2.705 -9.883 1.00 0.00 C ATOM 479 C LEU A 33 -4.173 2.099 -10.202 1.00 0.00 C ATOM 480 O LEU A 33 -4.368 0.890 -10.086 1.00 0.00 O ATOM 481 CB LEU A 33 -2.939 3.564 -8.608 1.00 0.00 C ATOM 482 CG LEU A 33 -1.631 4.018 -7.942 1.00 0.00 C ATOM 483 CD1 LEU A 33 -1.832 4.170 -6.445 1.00 0.00 C ATOM 484 CD2 LEU A 33 -0.497 3.046 -8.238 1.00 0.00 C ATOM 0 H LEU A 33 -2.096 4.450 -10.809 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.084 1.913 -9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.521 4.452 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.515 2.999 -7.875 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.353 4.986 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.899 4.492 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.606 4.914 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.136 3.214 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.416 3.393 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.756 2.058 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.338 2.990 -9.315 1.00 0.00 H new ATOM 496 N TYR A 34 -5.111 2.947 -10.608 1.00 0.00 N ATOM 497 CA TYR A 34 -6.481 2.508 -10.880 1.00 0.00 C ATOM 498 C TYR A 34 -6.620 1.732 -12.201 1.00 0.00 C ATOM 499 O TYR A 34 -7.742 1.456 -12.629 1.00 0.00 O ATOM 500 CB TYR A 34 -7.439 3.707 -10.879 1.00 0.00 C ATOM 501 CG TYR A 34 -7.290 4.606 -9.669 1.00 0.00 C ATOM 502 CD1 TYR A 34 -6.980 4.079 -8.420 1.00 0.00 C ATOM 503 CD2 TYR A 34 -7.434 5.982 -9.783 1.00 0.00 C ATOM 504 CE1 TYR A 34 -6.816 4.899 -7.320 1.00 0.00 C ATOM 505 CE2 TYR A 34 -7.278 6.808 -8.686 1.00 0.00 C ATOM 506 CZ TYR A 34 -6.964 6.262 -7.459 1.00 0.00 C ATOM 507 OH TYR A 34 -6.786 7.085 -6.369 1.00 0.00 O ATOM 0 H TYR A 34 -4.951 3.943 -10.757 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.745 1.819 -10.077 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.271 4.296 -11.781 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.465 3.341 -10.924 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.866 3.011 -8.308 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.672 6.414 -10.744 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.573 4.474 -6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.401 7.876 -8.789 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.925 8.017 -6.637 1.00 0.00 H new ATOM 517 N ASN A 35 -5.505 1.381 -12.852 1.00 0.00 N ATOM 518 CA ASN A 35 -5.560 0.677 -14.128 1.00 0.00 C ATOM 519 C ASN A 35 -6.215 -0.693 -13.963 1.00 0.00 C ATOM 520 O ASN A 35 -5.872 -1.454 -13.056 1.00 0.00 O ATOM 521 CB ASN A 35 -4.156 0.530 -14.724 1.00 0.00 C ATOM 522 CG ASN A 35 -4.155 -0.203 -16.051 1.00 0.00 C ATOM 523 OD1 ASN A 35 -5.153 -0.207 -16.772 1.00 0.00 O ATOM 524 ND2 ASN A 35 -3.030 -0.813 -16.390 1.00 0.00 N ATOM 0 H ASN A 35 -4.562 1.574 -12.515 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.167 1.267 -14.815 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.719 1.519 -14.860 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.521 -0.005 -14.018 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.967 -1.311 -17.278 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.226 -0.785 -15.763 1.00 0.00 H new ATOM 531 N PHE A 36 -7.176 -0.985 -14.833 1.00 0.00 N ATOM 532 CA PHE A 36 -7.939 -2.226 -14.760 1.00 0.00 C ATOM 533 C PHE A 36 -7.107 -3.412 -15.236 1.00 0.00 C ATOM 534 O PHE A 36 -7.274 -4.534 -14.757 1.00 0.00 O ATOM 535 CB PHE A 36 -9.208 -2.118 -15.612 1.00 0.00 C ATOM 536 CG PHE A 36 -10.112 -0.977 -15.230 1.00 0.00 C ATOM 537 CD1 PHE A 36 -11.081 -1.140 -14.254 1.00 0.00 C ATOM 538 CD2 PHE A 36 -9.995 0.258 -15.853 1.00 0.00 C ATOM 539 CE1 PHE A 36 -11.918 -0.095 -13.908 1.00 0.00 C ATOM 540 CE2 PHE A 36 -10.828 1.306 -15.510 1.00 0.00 C ATOM 541 CZ PHE A 36 -11.790 1.129 -14.534 1.00 0.00 C ATOM 0 H PHE A 36 -7.447 -0.373 -15.603 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.212 -2.389 -13.717 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.922 -2.006 -16.658 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.766 -3.051 -15.533 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.184 -2.094 -13.758 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.244 0.402 -16.615 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -12.672 -0.236 -13.148 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.727 2.261 -16.004 1.00 0.00 H new ATOM 0 HZ PHE A 36 -12.441 1.947 -14.261 1.00 0.00 H new ATOM 551 N TRP A 37 -6.211 -3.157 -16.178 1.00 0.00 N ATOM 552 CA TRP A 37 -5.391 -4.210 -16.756 1.00 0.00 C ATOM 553 C TRP A 37 -4.205 -4.529 -15.853 1.00 0.00 C ATOM 554 O TRP A 37 -3.356 -3.674 -15.597 1.00 0.00 O ATOM 555 CB TRP A 37 -4.906 -3.804 -18.148 1.00 0.00 C ATOM 556 CG TRP A 37 -6.019 -3.645 -19.140 1.00 0.00 C ATOM 557 CD1 TRP A 37 -6.711 -4.647 -19.753 1.00 0.00 C ATOM 558 CD2 TRP A 37 -6.564 -2.416 -19.643 1.00 0.00 C ATOM 559 NE1 TRP A 37 -7.656 -4.120 -20.596 1.00 0.00 N ATOM 560 CE2 TRP A 37 -7.585 -2.755 -20.550 1.00 0.00 C ATOM 561 CE3 TRP A 37 -6.291 -1.064 -19.413 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -8.332 -1.794 -21.225 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -7.033 -0.111 -20.085 1.00 0.00 C ATOM 564 CH2 TRP A 37 -8.043 -0.480 -20.982 1.00 0.00 C ATOM 0 H TRP A 37 -6.034 -2.228 -16.559 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.002 -5.108 -16.847 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.357 -2.865 -18.075 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.206 -4.555 -18.515 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.540 -5.702 -19.598 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -8.307 -4.660 -21.166 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.514 -0.770 -18.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.112 -2.076 -21.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.830 0.936 -19.915 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.605 0.289 -21.492 1.00 0.00 H new ATOM 575 N LYS A 38 -4.154 -5.764 -15.369 1.00 0.00 N ATOM 576 CA LYS A 38 -3.107 -6.183 -14.446 1.00 0.00 C ATOM 577 C LYS A 38 -1.811 -6.546 -15.183 1.00 0.00 C ATOM 578 O LYS A 38 -1.477 -7.718 -15.351 1.00 0.00 O ATOM 579 CB LYS A 38 -3.604 -7.342 -13.561 1.00 0.00 C ATOM 580 CG LYS A 38 -4.283 -8.481 -14.320 1.00 0.00 C ATOM 581 CD LYS A 38 -3.398 -9.719 -14.395 1.00 0.00 C ATOM 582 CE LYS A 38 -3.153 -10.317 -13.017 1.00 0.00 C ATOM 583 NZ LYS A 38 -2.078 -11.341 -13.037 1.00 0.00 N ATOM 0 H LYS A 38 -4.827 -6.494 -15.601 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.871 -5.339 -13.797 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.757 -7.747 -13.007 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.305 -6.945 -12.826 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.222 -8.735 -13.829 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.530 -8.149 -15.329 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.867 -10.464 -15.037 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.444 -9.458 -14.854 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.884 -9.523 -12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.075 -10.767 -12.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.885 -11.661 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.381 -12.151 -13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.214 -10.929 -13.444 1.00 0.00 H new ATOM 597 N ASP A 39 -1.124 -5.520 -15.676 1.00 0.00 N ATOM 598 CA ASP A 39 0.203 -5.684 -16.294 1.00 0.00 C ATOM 599 C ASP A 39 1.161 -6.599 -15.497 1.00 0.00 C ATOM 600 O ASP A 39 1.825 -7.441 -16.104 1.00 0.00 O ATOM 601 CB ASP A 39 0.872 -4.323 -16.497 1.00 0.00 C ATOM 602 CG ASP A 39 2.195 -4.432 -17.239 1.00 0.00 C ATOM 603 OD1 ASP A 39 2.186 -4.366 -18.485 1.00 0.00 O ATOM 604 OD2 ASP A 39 3.248 -4.585 -16.587 1.00 0.00 O ATOM 0 H ASP A 39 -1.461 -4.557 -15.663 1.00 0.00 H new ATOM 0 HA ASP A 39 0.017 -6.172 -17.251 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.199 -3.670 -17.053 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.040 -3.856 -15.527 1.00 0.00 H new ATOM 609 N ASP A 40 1.238 -6.437 -14.159 1.00 0.00 N ATOM 610 CA ASP A 40 2.188 -7.177 -13.320 1.00 0.00 C ATOM 611 C ASP A 40 3.594 -6.620 -13.489 1.00 0.00 C ATOM 612 O ASP A 40 4.469 -7.249 -14.089 1.00 0.00 O ATOM 613 CB ASP A 40 2.168 -8.692 -13.580 1.00 0.00 C ATOM 614 CG ASP A 40 0.991 -9.383 -12.920 1.00 0.00 C ATOM 615 OD1 ASP A 40 0.874 -9.306 -11.677 1.00 0.00 O ATOM 616 OD2 ASP A 40 0.193 -10.026 -13.631 1.00 0.00 O ATOM 0 H ASP A 40 0.644 -5.792 -13.638 1.00 0.00 H new ATOM 0 HA ASP A 40 1.868 -7.037 -12.287 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.134 -8.872 -14.655 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.095 -9.132 -13.213 1.00 0.00 H new ATOM 621 N TYR A 41 3.788 -5.422 -12.955 1.00 0.00 N ATOM 622 CA TYR A 41 5.050 -4.702 -13.054 1.00 0.00 C ATOM 623 C TYR A 41 5.645 -4.478 -11.670 1.00 0.00 C ATOM 624 O TYR A 41 5.036 -4.844 -10.663 1.00 0.00 O ATOM 625 CB TYR A 41 4.839 -3.358 -13.756 1.00 0.00 C ATOM 626 CG TYR A 41 3.603 -2.611 -13.295 1.00 0.00 C ATOM 627 CD1 TYR A 41 3.587 -1.901 -12.099 1.00 0.00 C ATOM 628 CD2 TYR A 41 2.447 -2.624 -14.060 1.00 0.00 C ATOM 629 CE1 TYR A 41 2.451 -1.229 -11.686 1.00 0.00 C ATOM 630 CE2 TYR A 41 1.312 -1.954 -13.655 1.00 0.00 C ATOM 631 CZ TYR A 41 1.317 -1.260 -12.468 1.00 0.00 C ATOM 632 OH TYR A 41 0.185 -0.585 -12.066 1.00 0.00 O ATOM 0 H TYR A 41 3.068 -4.918 -12.437 1.00 0.00 H new ATOM 0 HA TYR A 41 5.745 -5.303 -13.641 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.714 -2.730 -13.588 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.769 -3.528 -14.830 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.474 -1.874 -11.484 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.435 -3.170 -14.992 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.453 -0.682 -10.755 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.423 -1.974 -14.268 1.00 0.00 H new ATOM 0 HH TYR A 41 0.246 0.352 -12.346 1.00 0.00 H new ATOM 642 N VAL A 42 6.835 -3.890 -11.616 1.00 0.00 N ATOM 643 CA VAL A 42 7.469 -3.594 -10.344 1.00 0.00 C ATOM 644 C VAL A 42 7.095 -2.185 -9.912 1.00 0.00 C ATOM 645 O VAL A 42 7.327 -1.225 -10.644 1.00 0.00 O ATOM 646 CB VAL A 42 9.009 -3.705 -10.415 1.00 0.00 C ATOM 647 CG1 VAL A 42 9.612 -3.728 -9.015 1.00 0.00 C ATOM 648 CG2 VAL A 42 9.433 -4.937 -11.201 1.00 0.00 C ATOM 0 H VAL A 42 7.375 -3.612 -12.435 1.00 0.00 H new ATOM 0 HA VAL A 42 7.114 -4.330 -9.623 1.00 0.00 H new ATOM 0 HB VAL A 42 9.385 -2.826 -10.938 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.697 -3.807 -9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.349 -2.810 -8.490 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.222 -4.584 -8.465 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.521 -4.990 -11.235 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.041 -5.831 -10.716 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.041 -4.874 -12.216 1.00 0.00 H new ATOM 658 N MET A 43 6.476 -2.077 -8.750 1.00 0.00 N ATOM 659 CA MET A 43 6.115 -0.788 -8.182 1.00 0.00 C ATOM 660 C MET A 43 7.363 0.045 -7.911 1.00 0.00 C ATOM 661 O MET A 43 8.071 -0.179 -6.935 1.00 0.00 O ATOM 662 CB MET A 43 5.309 -1.006 -6.903 1.00 0.00 C ATOM 663 CG MET A 43 4.701 0.257 -6.329 1.00 0.00 C ATOM 664 SD MET A 43 3.545 -0.099 -4.993 1.00 0.00 S ATOM 665 CE MET A 43 2.353 -1.132 -5.845 1.00 0.00 C ATOM 0 H MET A 43 6.210 -2.876 -8.175 1.00 0.00 H new ATOM 0 HA MET A 43 5.500 -0.237 -8.894 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.511 -1.720 -7.107 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.956 -1.458 -6.152 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.495 0.906 -5.959 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.185 0.803 -7.119 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.355 -0.712 -5.724 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.602 -1.176 -6.905 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.377 -2.137 -5.425 1.00 0.00 H new ATOM 675 N THR A 44 7.638 0.983 -8.804 1.00 0.00 N ATOM 676 CA THR A 44 8.843 1.790 -8.718 1.00 0.00 C ATOM 677 C THR A 44 8.560 3.160 -8.096 1.00 0.00 C ATOM 678 O THR A 44 9.459 3.804 -7.553 1.00 0.00 O ATOM 679 CB THR A 44 9.467 1.974 -10.116 1.00 0.00 C ATOM 680 OG1 THR A 44 8.523 2.617 -10.986 1.00 0.00 O ATOM 681 CG2 THR A 44 9.865 0.633 -10.721 1.00 0.00 C ATOM 0 H THR A 44 7.039 1.204 -9.600 1.00 0.00 H new ATOM 0 HA THR A 44 9.545 1.262 -8.073 1.00 0.00 H new ATOM 0 HB THR A 44 10.360 2.589 -10.009 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.923 2.734 -11.873 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.302 0.794 -11.707 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.595 0.145 -10.075 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.983 -0.000 -10.814 1.00 0.00 H new ATOM 689 N ASP A 45 7.311 3.601 -8.184 1.00 0.00 N ATOM 690 CA ASP A 45 6.913 4.893 -7.634 1.00 0.00 C ATOM 691 C ASP A 45 6.601 4.794 -6.155 1.00 0.00 C ATOM 692 O ASP A 45 5.866 3.909 -5.709 1.00 0.00 O ATOM 693 CB ASP A 45 5.704 5.458 -8.368 1.00 0.00 C ATOM 694 CG ASP A 45 5.121 6.641 -7.632 1.00 0.00 C ATOM 695 OD1 ASP A 45 5.847 7.633 -7.415 1.00 0.00 O ATOM 696 OD2 ASP A 45 3.963 6.559 -7.217 1.00 0.00 O ATOM 0 H ASP A 45 6.555 3.083 -8.631 1.00 0.00 H new ATOM 0 HA ASP A 45 7.759 5.567 -7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.995 5.760 -9.374 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.945 4.683 -8.475 1.00 0.00 H new ATOM 701 N ARG A 46 7.130 5.749 -5.407 1.00 0.00 N ATOM 702 CA ARG A 46 7.007 5.739 -3.964 1.00 0.00 C ATOM 703 C ARG A 46 5.592 6.142 -3.545 1.00 0.00 C ATOM 704 O ARG A 46 5.130 5.782 -2.453 1.00 0.00 O ATOM 705 CB ARG A 46 8.057 6.658 -3.302 1.00 0.00 C ATOM 706 CG ARG A 46 9.504 6.189 -3.431 1.00 0.00 C ATOM 707 CD ARG A 46 10.078 6.359 -4.826 1.00 0.00 C ATOM 708 NE ARG A 46 11.527 6.157 -4.814 1.00 0.00 N ATOM 709 CZ ARG A 46 12.255 5.792 -5.870 1.00 0.00 C ATOM 710 NH1 ARG A 46 11.676 5.557 -7.042 1.00 0.00 N ATOM 711 NH2 ARG A 46 13.570 5.658 -5.745 1.00 0.00 N ATOM 0 H ARG A 46 7.650 6.543 -5.780 1.00 0.00 H new ATOM 0 HA ARG A 46 7.195 4.722 -3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.974 7.653 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.816 6.755 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.121 6.743 -2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.563 5.138 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.612 5.647 -5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.847 7.356 -5.201 1.00 0.00 H new ATOM 0 HE ARG A 46 12.017 6.307 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.666 5.655 -7.140 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.242 5.278 -7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.017 5.834 -4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.133 5.379 -6.549 1.00 0.00 H new ATOM 725 N LEU A 47 4.874 6.844 -4.427 1.00 0.00 N ATOM 726 CA LEU A 47 3.544 7.310 -4.087 1.00 0.00 C ATOM 727 C LEU A 47 2.551 6.172 -4.236 1.00 0.00 C ATOM 728 O LEU A 47 1.427 6.249 -3.744 1.00 0.00 O ATOM 729 CB LEU A 47 3.120 8.516 -4.942 1.00 0.00 C ATOM 730 CG LEU A 47 3.810 9.843 -4.618 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.882 10.054 -3.118 1.00 0.00 C ATOM 732 CD2 LEU A 47 5.188 9.907 -5.247 1.00 0.00 C ATOM 0 H LEU A 47 5.192 7.094 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 47 3.559 7.645 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.307 8.278 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.044 8.653 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 47 3.215 10.650 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.376 11.003 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.874 10.070 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.448 9.241 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.656 10.860 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.801 9.092 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.098 9.815 -6.329 1.00 0.00 H new ATOM 744 N ALA A 48 2.989 5.097 -4.880 1.00 0.00 N ATOM 745 CA ALA A 48 2.129 3.962 -5.115 1.00 0.00 C ATOM 746 C ALA A 48 2.076 3.113 -3.861 1.00 0.00 C ATOM 747 O ALA A 48 1.013 2.921 -3.267 1.00 0.00 O ATOM 748 CB ALA A 48 2.640 3.160 -6.296 1.00 0.00 C ATOM 0 H ALA A 48 3.936 4.995 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 48 1.121 4.302 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.985 2.305 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.653 3.790 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.650 2.807 -6.087 1.00 0.00 H new ATOM 754 N GLY A 49 3.246 2.603 -3.479 1.00 0.00 N ATOM 755 CA GLY A 49 3.412 1.963 -2.180 1.00 0.00 C ATOM 756 C GLY A 49 2.705 2.682 -1.029 1.00 0.00 C ATOM 757 O GLY A 49 1.989 2.040 -0.259 1.00 0.00 O ATOM 0 H GLY A 49 4.090 2.622 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.036 0.942 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.476 1.898 -1.953 1.00 0.00 H new ATOM 761 N CYS A 50 2.874 4.005 -0.902 1.00 0.00 N ATOM 762 CA CYS A 50 2.221 4.734 0.177 1.00 0.00 C ATOM 763 C CYS A 50 0.703 4.791 -0.008 1.00 0.00 C ATOM 764 O CYS A 50 -0.046 4.658 0.958 1.00 0.00 O ATOM 765 CB CYS A 50 2.795 6.147 0.308 1.00 0.00 C ATOM 766 SG CYS A 50 4.356 6.252 1.256 1.00 0.00 S ATOM 0 H CYS A 50 3.447 4.577 -1.523 1.00 0.00 H new ATOM 0 HA CYS A 50 2.421 4.188 1.099 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.964 6.550 -0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.051 6.784 0.787 1.00 0.00 H new ATOM 771 N ALA A 51 0.248 4.962 -1.248 1.00 0.00 N ATOM 772 CA ALA A 51 -1.185 5.066 -1.533 1.00 0.00 C ATOM 773 C ALA A 51 -1.932 3.776 -1.199 1.00 0.00 C ATOM 774 O ALA A 51 -3.140 3.801 -0.954 1.00 0.00 O ATOM 775 CB ALA A 51 -1.411 5.431 -2.991 1.00 0.00 C ATOM 0 H ALA A 51 0.848 5.032 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.583 5.855 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.481 5.504 -3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.937 6.389 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.978 4.662 -3.630 1.00 0.00 H new ATOM 781 N ILE A 52 -1.217 2.653 -1.192 1.00 0.00 N ATOM 782 CA ILE A 52 -1.814 1.369 -0.829 1.00 0.00 C ATOM 783 C ILE A 52 -2.322 1.400 0.610 1.00 0.00 C ATOM 784 O ILE A 52 -3.382 0.853 0.927 1.00 0.00 O ATOM 785 CB ILE A 52 -0.807 0.207 -0.986 1.00 0.00 C ATOM 786 CG1 ILE A 52 -0.301 0.131 -2.430 1.00 0.00 C ATOM 787 CG2 ILE A 52 -1.446 -1.115 -0.577 1.00 0.00 C ATOM 788 CD1 ILE A 52 0.747 -0.940 -2.649 1.00 0.00 C ATOM 0 H ILE A 52 -0.227 2.606 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.649 1.200 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 52 0.042 0.396 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.146 -0.058 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.115 1.098 -2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.722 -1.921 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.762 -1.060 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.312 -1.311 -1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.059 -0.936 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.609 -0.741 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.329 -1.915 -2.399 1.00 0.00 H new ATOM 800 N ASN A 53 -1.577 2.074 1.471 1.00 0.00 N ATOM 801 CA ASN A 53 -1.923 2.155 2.881 1.00 0.00 C ATOM 802 C ASN A 53 -1.824 3.598 3.362 1.00 0.00 C ATOM 803 O ASN A 53 -0.792 4.046 3.861 1.00 0.00 O ATOM 804 CB ASN A 53 -1.061 1.211 3.749 1.00 0.00 C ATOM 805 CG ASN A 53 0.442 1.484 3.706 1.00 0.00 C ATOM 806 OD1 ASN A 53 1.107 1.483 4.743 1.00 0.00 O ATOM 807 ND2 ASN A 53 1.001 1.665 2.519 1.00 0.00 N ATOM 0 H ASN A 53 -0.726 2.575 1.217 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.954 1.820 2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.398 1.284 4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.238 0.185 3.428 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.008 1.809 2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.424 1.661 1.678 1.00 0.00 H new ATOM 814 N CYS A 54 -2.899 4.341 3.167 1.00 0.00 N ATOM 815 CA CYS A 54 -2.906 5.754 3.504 1.00 0.00 C ATOM 816 C CYS A 54 -3.957 6.071 4.561 1.00 0.00 C ATOM 817 O CYS A 54 -3.667 6.740 5.545 1.00 0.00 O ATOM 818 CB CYS A 54 -3.166 6.585 2.242 1.00 0.00 C ATOM 819 SG CYS A 54 -4.717 6.149 1.378 1.00 0.00 S ATOM 0 H CYS A 54 -3.775 3.992 2.779 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.930 6.008 3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.196 7.640 2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.330 6.456 1.555 1.00 0.00 H new ATOM 824 N LEU A 55 -5.162 5.551 4.376 1.00 0.00 N ATOM 825 CA LEU A 55 -6.299 5.919 5.214 1.00 0.00 C ATOM 826 C LEU A 55 -6.028 5.612 6.688 1.00 0.00 C ATOM 827 O LEU A 55 -5.856 6.520 7.506 1.00 0.00 O ATOM 828 CB LEU A 55 -7.550 5.174 4.735 1.00 0.00 C ATOM 829 CG LEU A 55 -8.873 5.937 4.864 1.00 0.00 C ATOM 830 CD1 LEU A 55 -9.985 5.178 4.164 1.00 0.00 C ATOM 831 CD2 LEU A 55 -9.236 6.174 6.321 1.00 0.00 C ATOM 0 H LEU A 55 -5.380 4.869 3.649 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.459 6.994 5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.410 4.903 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.633 4.244 5.297 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.748 6.909 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.920 5.730 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.740 5.065 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.095 4.193 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.179 6.717 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.338 5.216 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.451 6.759 6.801 1.00 0.00 H new ATOM 843 N ALA A 56 -5.925 4.334 7.015 1.00 0.00 N ATOM 844 CA ALA A 56 -5.804 3.924 8.406 1.00 0.00 C ATOM 845 C ALA A 56 -4.365 4.048 8.885 1.00 0.00 C ATOM 846 O ALA A 56 -4.096 4.041 10.087 1.00 0.00 O ATOM 847 CB ALA A 56 -6.302 2.497 8.580 1.00 0.00 C ATOM 0 H ALA A 56 -5.923 3.567 6.342 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.421 4.586 9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.206 2.203 9.625 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.349 2.438 8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.709 1.826 7.958 1.00 0.00 H new ATOM 853 N THR A 57 -3.448 4.194 7.945 1.00 0.00 N ATOM 854 CA THR A 57 -2.045 4.314 8.284 1.00 0.00 C ATOM 855 C THR A 57 -1.692 5.756 8.663 1.00 0.00 C ATOM 856 O THR A 57 -0.866 5.988 9.544 1.00 0.00 O ATOM 857 CB THR A 57 -1.151 3.826 7.130 1.00 0.00 C ATOM 858 OG1 THR A 57 -1.792 2.725 6.470 1.00 0.00 O ATOM 859 CG2 THR A 57 0.198 3.371 7.661 1.00 0.00 C ATOM 0 H THR A 57 -3.650 4.232 6.946 1.00 0.00 H new ATOM 0 HA THR A 57 -1.860 3.678 9.150 1.00 0.00 H new ATOM 0 HB THR A 57 -0.998 4.647 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.517 1.885 6.893 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.818 3.029 6.833 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.691 4.203 8.164 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.054 2.554 8.368 1.00 0.00 H new ATOM 867 N LYS A 58 -2.317 6.734 8.012 1.00 0.00 N ATOM 868 CA LYS A 58 -2.118 8.122 8.408 1.00 0.00 C ATOM 869 C LYS A 58 -3.026 8.466 9.586 1.00 0.00 C ATOM 870 O LYS A 58 -2.815 9.472 10.263 1.00 0.00 O ATOM 871 CB LYS A 58 -2.368 9.088 7.236 1.00 0.00 C ATOM 872 CG LYS A 58 -1.577 8.780 5.959 1.00 0.00 C ATOM 873 CD LYS A 58 -0.149 9.345 5.936 1.00 0.00 C ATOM 874 CE LYS A 58 -0.112 10.867 6.034 1.00 0.00 C ATOM 875 NZ LYS A 58 -0.342 11.366 7.416 1.00 0.00 N ATOM 0 H LYS A 58 -2.951 6.595 7.225 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.078 8.238 8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.432 9.078 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.124 10.099 7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.527 7.699 5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.124 9.178 5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.419 8.919 6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.345 9.033 5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.855 11.225 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.869 11.287 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.134 12.040 7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.569 10.566 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.516 11.841 7.761 1.00 0.00 H new ATOM 889 N LEU A 59 -4.038 7.632 9.829 1.00 0.00 N ATOM 890 CA LEU A 59 -4.863 7.776 11.018 1.00 0.00 C ATOM 891 C LEU A 59 -4.050 7.536 12.286 1.00 0.00 C ATOM 892 O LEU A 59 -3.848 8.458 13.078 1.00 0.00 O ATOM 893 CB LEU A 59 -6.051 6.830 10.977 1.00 0.00 C ATOM 894 CG LEU A 59 -7.223 7.322 10.137 1.00 0.00 C ATOM 895 CD1 LEU A 59 -8.286 6.255 10.083 1.00 0.00 C ATOM 896 CD2 LEU A 59 -7.788 8.613 10.708 1.00 0.00 C ATOM 0 H LEU A 59 -4.301 6.857 9.220 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.234 8.801 11.033 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.720 5.868 10.587 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.398 6.658 11.996 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.874 7.528 9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.125 6.607 9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.872 5.352 9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.631 6.034 11.093 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.624 8.947 10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.133 8.440 11.727 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.012 9.379 10.713 1.00 0.00 H new ATOM 908 N ASP A 60 -3.563 6.309 12.466 1.00 0.00 N ATOM 909 CA ASP A 60 -2.806 5.948 13.665 1.00 0.00 C ATOM 910 C ASP A 60 -2.261 4.534 13.548 1.00 0.00 C ATOM 911 O ASP A 60 -3.012 3.593 13.296 1.00 0.00 O ATOM 912 CB ASP A 60 -3.674 6.065 14.919 1.00 0.00 C ATOM 913 CG ASP A 60 -2.928 5.662 16.173 1.00 0.00 C ATOM 914 OD1 ASP A 60 -1.909 6.307 16.500 1.00 0.00 O ATOM 915 OD2 ASP A 60 -3.351 4.690 16.832 1.00 0.00 O ATOM 0 H ASP A 60 -3.679 5.548 11.797 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.972 6.645 13.753 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.024 7.092 15.021 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.558 5.437 14.807 1.00 0.00 H new ATOM 920 N VAL A 61 -0.952 4.398 13.737 1.00 0.00 N ATOM 921 CA VAL A 61 -0.262 3.130 13.530 1.00 0.00 C ATOM 922 C VAL A 61 1.234 3.314 13.830 1.00 0.00 C ATOM 923 O VAL A 61 2.115 2.745 13.175 1.00 0.00 O ATOM 924 CB VAL A 61 -0.486 2.649 12.073 1.00 0.00 C ATOM 925 CG1 VAL A 61 0.142 3.620 11.093 1.00 0.00 C ATOM 926 CG2 VAL A 61 0.037 1.238 11.848 1.00 0.00 C ATOM 0 H VAL A 61 -0.343 5.159 14.036 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.660 2.371 14.204 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.562 2.621 11.900 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.024 3.268 10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.311 4.604 11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.213 3.687 11.283 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.142 0.944 10.814 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.107 1.210 12.053 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.479 0.548 12.516 1.00 0.00 H new ATOM 936 N VAL A 62 1.519 4.105 14.852 1.00 0.00 N ATOM 937 CA VAL A 62 2.888 4.494 15.143 1.00 0.00 C ATOM 938 C VAL A 62 3.455 3.752 16.359 1.00 0.00 C ATOM 939 O VAL A 62 2.924 3.845 17.465 1.00 0.00 O ATOM 940 CB VAL A 62 3.022 6.025 15.336 1.00 0.00 C ATOM 941 CG1 VAL A 62 2.741 6.754 14.031 1.00 0.00 C ATOM 942 CG2 VAL A 62 2.098 6.538 16.434 1.00 0.00 C ATOM 0 H VAL A 62 0.823 4.489 15.491 1.00 0.00 H new ATOM 0 HA VAL A 62 3.478 4.207 14.273 1.00 0.00 H new ATOM 0 HB VAL A 62 4.048 6.227 15.643 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.840 7.828 14.186 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.453 6.430 13.272 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.728 6.527 13.698 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.221 7.616 16.539 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.064 6.315 16.173 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.347 6.051 17.377 1.00 0.00 H new ATOM 952 N ASP A 63 4.522 2.980 16.132 1.00 0.00 N ATOM 953 CA ASP A 63 5.221 2.294 17.218 1.00 0.00 C ATOM 954 C ASP A 63 5.967 3.286 18.124 1.00 0.00 C ATOM 955 O ASP A 63 5.737 3.306 19.332 1.00 0.00 O ATOM 956 CB ASP A 63 6.213 1.259 16.657 1.00 0.00 C ATOM 957 CG ASP A 63 6.270 -0.009 17.481 1.00 0.00 C ATOM 958 OD1 ASP A 63 6.542 0.071 18.693 1.00 0.00 O ATOM 959 OD2 ASP A 63 6.052 -1.093 16.911 1.00 0.00 O ATOM 0 H ASP A 63 4.919 2.816 15.207 1.00 0.00 H new ATOM 0 HA ASP A 63 4.467 1.782 17.816 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.930 1.009 15.634 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.208 1.703 16.613 1.00 0.00 H new ATOM 964 N PRO A 64 6.872 4.130 17.566 1.00 0.00 N ATOM 965 CA PRO A 64 7.755 4.991 18.342 1.00 0.00 C ATOM 966 C PRO A 64 7.248 6.434 18.468 1.00 0.00 C ATOM 967 O PRO A 64 6.048 6.677 18.576 1.00 0.00 O ATOM 968 CB PRO A 64 9.048 4.950 17.504 1.00 0.00 C ATOM 969 CG PRO A 64 8.666 4.330 16.188 1.00 0.00 C ATOM 970 CD PRO A 64 7.168 4.322 16.150 1.00 0.00 C ATOM 0 HA PRO A 64 7.856 4.656 19.374 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.453 5.952 17.361 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.819 4.363 18.003 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.074 4.903 15.355 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.063 3.318 16.104 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.757 5.254 15.762 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.772 3.517 15.530 1.00 0.00 H new ATOM 978 N ASP A 65 8.184 7.385 18.421 1.00 0.00 N ATOM 979 CA ASP A 65 7.892 8.807 18.651 1.00 0.00 C ATOM 980 C ASP A 65 7.122 9.429 17.479 1.00 0.00 C ATOM 981 O ASP A 65 6.725 10.594 17.525 1.00 0.00 O ATOM 982 CB ASP A 65 9.213 9.565 18.861 1.00 0.00 C ATOM 983 CG ASP A 65 9.019 10.994 19.334 1.00 0.00 C ATOM 984 OD1 ASP A 65 8.730 11.200 20.530 1.00 0.00 O ATOM 985 OD2 ASP A 65 9.171 11.927 18.514 1.00 0.00 O ATOM 0 H ASP A 65 9.166 7.194 18.223 1.00 0.00 H new ATOM 0 HA ASP A 65 7.263 8.885 19.538 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.820 9.028 19.590 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.772 9.573 17.925 1.00 0.00 H new ATOM 990 N GLY A 66 6.896 8.641 16.442 1.00 0.00 N ATOM 991 CA GLY A 66 6.293 9.157 15.231 1.00 0.00 C ATOM 992 C GLY A 66 6.889 8.494 14.015 1.00 0.00 C ATOM 993 O GLY A 66 6.227 7.730 13.309 1.00 0.00 O ATOM 0 H GLY A 66 7.121 7.646 16.416 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.217 8.987 15.254 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.444 10.235 15.174 1.00 0.00 H new ATOM 997 N ASN A 67 8.163 8.769 13.806 1.00 0.00 N ATOM 998 CA ASN A 67 8.919 8.190 12.705 1.00 0.00 C ATOM 999 C ASN A 67 9.183 6.713 12.948 1.00 0.00 C ATOM 1000 O ASN A 67 9.203 6.265 14.091 1.00 0.00 O ATOM 1001 CB ASN A 67 10.259 8.915 12.557 1.00 0.00 C ATOM 1002 CG ASN A 67 11.077 8.878 13.839 1.00 0.00 C ATOM 1003 OD1 ASN A 67 10.974 9.772 14.681 1.00 0.00 O ATOM 1004 ND2 ASN A 67 11.892 7.848 14.002 1.00 0.00 N ATOM 0 H ASN A 67 8.706 9.401 14.394 1.00 0.00 H new ATOM 0 HA ASN A 67 8.330 8.302 11.794 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.831 8.457 11.750 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.080 9.952 12.272 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.460 7.776 14.846 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.952 7.126 13.284 1.00 0.00 H new ATOM 1011 N LEU A 68 9.357 5.965 11.864 1.00 0.00 N ATOM 1012 CA LEU A 68 9.835 4.584 11.928 1.00 0.00 C ATOM 1013 C LEU A 68 8.799 3.660 12.567 1.00 0.00 C ATOM 1014 O LEU A 68 9.146 2.685 13.237 1.00 0.00 O ATOM 1015 CB LEU A 68 11.163 4.518 12.701 1.00 0.00 C ATOM 1016 CG LEU A 68 12.279 3.701 12.041 1.00 0.00 C ATOM 1017 CD1 LEU A 68 11.855 2.256 11.840 1.00 0.00 C ATOM 1018 CD2 LEU A 68 12.688 4.324 10.717 1.00 0.00 C ATOM 0 H LEU A 68 9.172 6.296 10.917 1.00 0.00 H new ATOM 0 HA LEU A 68 9.999 4.239 10.907 1.00 0.00 H new ATOM 0 HB2 LEU A 68 11.524 5.535 12.853 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.967 4.099 13.688 1.00 0.00 H new ATOM 0 HG LEU A 68 13.140 3.710 12.709 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.667 1.701 11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.620 1.808 12.806 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.973 2.221 11.200 1.00 0.00 H new ATOM 0 HD21 LEU A 68 13.481 3.729 10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.829 4.352 10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.048 5.339 10.888 1.00 0.00 H new ATOM 1030 N HIS A 69 7.525 3.955 12.355 1.00 0.00 N ATOM 1031 CA HIS A 69 6.465 3.076 12.832 1.00 0.00 C ATOM 1032 C HIS A 69 6.367 1.818 11.962 1.00 0.00 C ATOM 1033 O HIS A 69 5.414 1.620 11.214 1.00 0.00 O ATOM 1034 CB HIS A 69 5.120 3.821 12.897 1.00 0.00 C ATOM 1035 CG HIS A 69 4.646 4.413 11.595 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.606 3.879 10.867 1.00 0.00 N ATOM 1037 CD2 HIS A 69 5.057 5.508 10.911 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.399 4.616 9.791 1.00 0.00 C ATOM 1039 NE2 HIS A 69 4.265 5.610 9.794 1.00 0.00 N ATOM 0 H HIS A 69 7.201 4.787 11.861 1.00 0.00 H new ATOM 0 HA HIS A 69 6.715 2.760 13.845 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.359 3.131 13.261 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.203 4.622 13.632 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.858 6.176 11.192 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.648 4.435 9.037 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.335 6.337 9.082 1.00 0.00 H new ATOM 1048 N HIS A 70 7.385 0.981 12.073 1.00 0.00 N ATOM 1049 CA HIS A 70 7.504 -0.230 11.271 1.00 0.00 C ATOM 1050 C HIS A 70 6.777 -1.418 11.918 1.00 0.00 C ATOM 1051 O HIS A 70 5.831 -1.959 11.341 1.00 0.00 O ATOM 1052 CB HIS A 70 8.997 -0.516 11.049 1.00 0.00 C ATOM 1053 CG HIS A 70 9.329 -1.880 10.528 1.00 0.00 C ATOM 1054 ND1 HIS A 70 9.187 -2.257 9.209 1.00 0.00 N ATOM 1055 CD2 HIS A 70 9.832 -2.950 11.172 1.00 0.00 C ATOM 1056 CE1 HIS A 70 9.589 -3.506 9.071 1.00 0.00 C ATOM 1057 NE2 HIS A 70 9.987 -3.952 10.247 1.00 0.00 N ATOM 0 H HIS A 70 8.157 1.121 12.725 1.00 0.00 H new ATOM 0 HA HIS A 70 7.018 -0.080 10.307 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.390 0.224 10.352 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.520 -0.372 11.995 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.070 -3.009 12.224 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.592 -4.069 8.149 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.350 -4.886 10.437 1.00 0.00 H new ATOM 1066 N GLY A 71 7.202 -1.793 13.124 1.00 0.00 N ATOM 1067 CA GLY A 71 6.647 -2.969 13.791 1.00 0.00 C ATOM 1068 C GLY A 71 5.153 -2.883 13.998 1.00 0.00 C ATOM 1069 O GLY A 71 4.414 -3.779 13.590 1.00 0.00 O ATOM 0 H GLY A 71 7.923 -1.304 13.655 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.875 -3.856 13.200 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.135 -3.095 14.757 1.00 0.00 H new ATOM 1073 N ASN A 72 4.717 -1.799 14.616 1.00 0.00 N ATOM 1074 CA ASN A 72 3.296 -1.590 14.916 1.00 0.00 C ATOM 1075 C ASN A 72 2.434 -1.672 13.645 1.00 0.00 C ATOM 1076 O ASN A 72 1.318 -2.180 13.685 1.00 0.00 O ATOM 1077 CB ASN A 72 3.088 -0.240 15.640 1.00 0.00 C ATOM 1078 CG ASN A 72 1.722 -0.099 16.299 1.00 0.00 C ATOM 1079 OD1 ASN A 72 0.741 -0.720 15.893 1.00 0.00 O ATOM 1080 ND2 ASN A 72 1.648 0.742 17.321 1.00 0.00 N ATOM 0 H ASN A 72 5.325 -1.041 14.925 1.00 0.00 H new ATOM 0 HA ASN A 72 2.973 -2.391 15.581 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.861 -0.123 16.399 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.220 0.570 14.923 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.758 0.890 17.796 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.481 1.241 17.632 1.00 0.00 H new ATOM 1087 N ALA A 73 2.966 -1.225 12.507 1.00 0.00 N ATOM 1088 CA ALA A 73 2.188 -1.201 11.274 1.00 0.00 C ATOM 1089 C ALA A 73 2.035 -2.604 10.706 1.00 0.00 C ATOM 1090 O ALA A 73 0.996 -2.954 10.143 1.00 0.00 O ATOM 1091 CB ALA A 73 2.822 -0.265 10.258 1.00 0.00 C ATOM 0 H ALA A 73 3.921 -0.879 12.416 1.00 0.00 H new ATOM 0 HA ALA A 73 1.192 -0.823 11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.226 -0.261 9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.863 0.744 10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.832 -0.605 10.031 1.00 0.00 H new ATOM 1097 N LYS A 74 3.059 -3.425 10.889 1.00 0.00 N ATOM 1098 CA LYS A 74 3.010 -4.790 10.391 1.00 0.00 C ATOM 1099 C LYS A 74 2.182 -5.636 11.346 1.00 0.00 C ATOM 1100 O LYS A 74 1.451 -6.529 10.929 1.00 0.00 O ATOM 1101 CB LYS A 74 4.405 -5.391 10.246 1.00 0.00 C ATOM 1102 CG LYS A 74 5.424 -4.469 9.594 1.00 0.00 C ATOM 1103 CD LYS A 74 4.876 -3.716 8.386 1.00 0.00 C ATOM 1104 CE LYS A 74 4.501 -4.643 7.242 1.00 0.00 C ATOM 1105 NZ LYS A 74 4.187 -3.878 6.007 1.00 0.00 N ATOM 0 H LYS A 74 3.922 -3.174 11.372 1.00 0.00 H new ATOM 0 HA LYS A 74 2.554 -4.777 9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.769 -5.674 11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.333 -6.306 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.776 -3.749 10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.289 -5.056 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.999 -3.143 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.621 -3.000 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.322 -5.333 7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.639 -5.246 7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.935 -4.538 5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.388 -3.238 6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.018 -3.322 5.722 1.00 0.00 H new ATOM 1119 N ASP A 75 2.296 -5.320 12.631 1.00 0.00 N ATOM 1120 CA ASP A 75 1.490 -5.953 13.671 1.00 0.00 C ATOM 1121 C ASP A 75 0.014 -5.613 13.468 1.00 0.00 C ATOM 1122 O ASP A 75 -0.865 -6.468 13.613 1.00 0.00 O ATOM 1123 CB ASP A 75 1.979 -5.482 15.047 1.00 0.00 C ATOM 1124 CG ASP A 75 1.133 -5.990 16.194 1.00 0.00 C ATOM 1125 OD1 ASP A 75 1.359 -7.131 16.648 1.00 0.00 O ATOM 1126 OD2 ASP A 75 0.259 -5.236 16.671 1.00 0.00 O ATOM 0 H ASP A 75 2.948 -4.619 12.982 1.00 0.00 H new ATOM 0 HA ASP A 75 1.597 -7.036 13.613 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.008 -5.812 15.191 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.988 -4.392 15.067 1.00 0.00 H new ATOM 1131 N PHE A 76 -0.239 -4.360 13.099 1.00 0.00 N ATOM 1132 CA PHE A 76 -1.580 -3.897 12.762 1.00 0.00 C ATOM 1133 C PHE A 76 -2.142 -4.694 11.592 1.00 0.00 C ATOM 1134 O PHE A 76 -3.332 -5.012 11.558 1.00 0.00 O ATOM 1135 CB PHE A 76 -1.542 -2.405 12.421 1.00 0.00 C ATOM 1136 CG PHE A 76 -2.850 -1.848 11.939 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -3.991 -1.942 12.714 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -2.928 -1.218 10.713 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.191 -1.417 12.272 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -4.122 -0.692 10.262 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.256 -0.791 11.043 1.00 0.00 C ATOM 0 H PHE A 76 0.479 -3.639 13.026 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.232 -4.049 13.622 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.228 -1.850 13.305 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.785 -2.239 11.655 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.944 -2.431 13.676 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.043 -1.136 10.099 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.076 -1.496 12.887 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.169 -0.204 9.300 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.192 -0.380 10.694 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.272 -5.035 10.653 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.678 -5.808 9.490 1.00 0.00 C ATOM 1153 C ALA A 77 -2.023 -7.239 9.882 1.00 0.00 C ATOM 1154 O ALA A 77 -2.954 -7.829 9.341 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.569 -5.806 8.444 1.00 0.00 C ATOM 0 H ALA A 77 -0.282 -4.789 10.674 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.569 -5.344 9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.885 -6.388 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.361 -4.781 8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.333 -6.247 8.869 1.00 0.00 H new ATOM 1161 N MET A 78 -1.287 -7.784 10.841 1.00 0.00 N ATOM 1162 CA MET A 78 -1.494 -9.166 11.267 1.00 0.00 C ATOM 1163 C MET A 78 -2.833 -9.320 11.962 1.00 0.00 C ATOM 1164 O MET A 78 -3.470 -10.368 11.882 1.00 0.00 O ATOM 1165 CB MET A 78 -0.392 -9.619 12.228 1.00 0.00 C ATOM 1166 CG MET A 78 1.017 -9.409 11.710 1.00 0.00 C ATOM 1167 SD MET A 78 2.271 -9.860 12.925 1.00 0.00 S ATOM 1168 CE MET A 78 3.756 -9.306 12.093 1.00 0.00 C ATOM 0 H MET A 78 -0.543 -7.294 11.339 1.00 0.00 H new ATOM 0 HA MET A 78 -1.470 -9.785 10.370 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.504 -9.081 13.169 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.531 -10.678 12.448 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.161 -10.001 10.806 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.146 -8.364 11.430 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.614 -9.863 12.470 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.657 -9.475 11.021 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.903 -8.242 12.280 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.248 -8.283 12.664 1.00 0.00 N ATOM 1179 CA LYS A 79 -4.501 -8.329 13.383 1.00 0.00 C ATOM 1180 C LYS A 79 -5.646 -7.812 12.520 1.00 0.00 C ATOM 1181 O LYS A 79 -6.814 -7.952 12.882 1.00 0.00 O ATOM 1182 CB LYS A 79 -4.372 -7.537 14.686 1.00 0.00 C ATOM 1183 CG LYS A 79 -3.365 -8.153 15.641 1.00 0.00 C ATOM 1184 CD LYS A 79 -2.846 -7.142 16.644 1.00 0.00 C ATOM 1185 CE LYS A 79 -1.831 -7.775 17.582 1.00 0.00 C ATOM 1186 NZ LYS A 79 -1.116 -6.761 18.397 1.00 0.00 N ATOM 0 H LYS A 79 -2.737 -7.404 12.750 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.734 -9.365 13.630 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.073 -6.514 14.458 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.345 -7.484 15.173 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.829 -8.985 16.171 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.530 -8.563 15.073 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.387 -6.305 16.118 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.677 -6.738 17.222 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.338 -8.479 18.242 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.108 -8.347 17.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.312 -7.209 18.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.768 -6.001 17.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.767 -6.361 19.103 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.319 -7.213 11.374 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.346 -6.675 10.482 1.00 0.00 C ATOM 1202 C HIS A 80 -5.946 -6.817 9.018 1.00 0.00 C ATOM 1203 O HIS A 80 -5.223 -5.976 8.483 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.627 -5.200 10.793 1.00 0.00 C ATOM 1205 CG HIS A 80 -6.987 -4.950 12.221 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -8.257 -5.122 12.719 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -6.218 -4.590 13.270 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -8.251 -4.881 14.015 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -7.023 -4.556 14.376 1.00 0.00 N ATOM 0 H HIS A 80 -4.362 -7.089 11.044 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.252 -7.256 10.653 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.747 -4.609 10.540 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.439 -4.851 10.155 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.161 -4.369 13.242 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.107 -4.940 14.671 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.724 -4.319 15.322 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.389 -7.894 8.381 1.00 0.00 N ATOM 1219 CA GLY A 81 -6.184 -8.040 6.955 1.00 0.00 C ATOM 1220 C GLY A 81 -5.306 -9.221 6.627 1.00 0.00 C ATOM 1221 O GLY A 81 -5.719 -10.148 5.935 1.00 0.00 O ATOM 0 H GLY A 81 -6.885 -8.666 8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.148 -8.157 6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.731 -7.131 6.559 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.091 -9.170 7.128 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.103 -10.194 6.883 1.00 0.00 C ATOM 1227 C ALA A 82 -3.245 -11.324 7.894 1.00 0.00 C ATOM 1228 O ALA A 82 -3.630 -11.092 9.040 1.00 0.00 O ATOM 1229 CB ALA A 82 -1.721 -9.560 6.963 1.00 0.00 C ATOM 0 H ALA A 82 -3.760 -8.410 7.722 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.249 -10.623 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.961 -10.320 6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.637 -8.775 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.574 -9.131 7.954 1.00 0.00 H new ATOM 1235 N ASP A 83 -2.946 -12.549 7.473 1.00 0.00 N ATOM 1236 CA ASP A 83 -2.907 -13.667 8.407 1.00 0.00 C ATOM 1237 C ASP A 83 -1.640 -13.552 9.199 1.00 0.00 C ATOM 1238 O ASP A 83 -0.619 -13.125 8.671 1.00 0.00 O ATOM 1239 CB ASP A 83 -2.916 -15.016 7.682 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.921 -15.102 6.556 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -3.568 -14.774 5.403 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -5.061 -15.537 6.817 1.00 0.00 O ATOM 0 H ASP A 83 -2.730 -12.790 6.506 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.791 -13.627 9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.920 -15.209 7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.127 -15.804 8.405 1.00 0.00 H new ATOM 1247 N GLU A 84 -1.682 -13.967 10.444 1.00 0.00 N ATOM 1248 CA GLU A 84 -0.527 -13.884 11.284 1.00 0.00 C ATOM 1249 C GLU A 84 0.522 -14.847 10.764 1.00 0.00 C ATOM 1250 O GLU A 84 1.686 -14.503 10.600 1.00 0.00 O ATOM 1251 CB GLU A 84 -0.909 -14.206 12.724 1.00 0.00 C ATOM 1252 CG GLU A 84 0.277 -14.582 13.562 1.00 0.00 C ATOM 1253 CD GLU A 84 0.371 -13.785 14.842 1.00 0.00 C ATOM 1254 OE1 GLU A 84 0.925 -12.670 14.813 1.00 0.00 O ATOM 1255 OE2 GLU A 84 -0.109 -14.271 15.885 1.00 0.00 O ATOM 0 H GLU A 84 -2.508 -14.365 10.891 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.118 -12.874 11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.404 -13.342 13.167 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.629 -15.024 12.731 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.222 -15.643 13.804 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.187 -14.434 12.981 1.00 0.00 H new ATOM 1262 N THR A 85 0.069 -16.049 10.494 1.00 0.00 N ATOM 1263 CA THR A 85 0.840 -17.050 9.793 1.00 0.00 C ATOM 1264 C THR A 85 1.452 -16.495 8.487 1.00 0.00 C ATOM 1265 O THR A 85 2.627 -16.753 8.188 1.00 0.00 O ATOM 1266 CB THR A 85 -0.081 -18.268 9.514 1.00 0.00 C ATOM 1267 OG1 THR A 85 0.278 -19.368 10.354 1.00 0.00 O ATOM 1268 CG2 THR A 85 -0.075 -18.696 8.053 1.00 0.00 C ATOM 0 H THR A 85 -0.864 -16.365 10.760 1.00 0.00 H new ATOM 0 HA THR A 85 1.681 -17.358 10.414 1.00 0.00 H new ATOM 0 HB THR A 85 -1.098 -17.949 9.745 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.312 -20.128 10.168 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.738 -19.552 7.922 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.421 -17.871 7.431 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.937 -18.973 7.759 1.00 0.00 H new ATOM 1276 N MET A 86 0.706 -15.670 7.744 1.00 0.00 N ATOM 1277 CA MET A 86 1.182 -15.237 6.442 1.00 0.00 C ATOM 1278 C MET A 86 2.127 -14.068 6.638 1.00 0.00 C ATOM 1279 O MET A 86 3.144 -13.943 5.960 1.00 0.00 O ATOM 1280 CB MET A 86 0.025 -14.882 5.492 1.00 0.00 C ATOM 1281 CG MET A 86 -0.196 -13.390 5.299 1.00 0.00 C ATOM 1282 SD MET A 86 -1.234 -13.013 3.875 1.00 0.00 S ATOM 1283 CE MET A 86 -1.111 -11.228 3.832 1.00 0.00 C ATOM 0 H MET A 86 -0.205 -15.301 8.019 1.00 0.00 H new ATOM 0 HA MET A 86 1.715 -16.059 5.965 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.217 -15.337 4.520 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.893 -15.326 5.876 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.656 -12.977 6.197 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.769 -12.897 5.179 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.089 -10.791 4.034 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.401 -10.894 4.588 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.768 -10.911 2.847 1.00 0.00 H new ATOM 1293 N ALA A 87 1.779 -13.226 7.592 1.00 0.00 N ATOM 1294 CA ALA A 87 2.620 -12.127 7.989 1.00 0.00 C ATOM 1295 C ALA A 87 3.952 -12.651 8.504 1.00 0.00 C ATOM 1296 O ALA A 87 4.992 -12.126 8.165 1.00 0.00 O ATOM 1297 CB ALA A 87 1.924 -11.306 9.054 1.00 0.00 C ATOM 0 H ALA A 87 0.903 -13.290 8.111 1.00 0.00 H new ATOM 0 HA ALA A 87 2.810 -11.489 7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.565 -10.476 9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.986 -10.917 8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.719 -11.934 9.921 1.00 0.00 H new ATOM 1303 N GLN A 88 3.907 -13.732 9.274 1.00 0.00 N ATOM 1304 CA GLN A 88 5.095 -14.261 9.945 1.00 0.00 C ATOM 1305 C GLN A 88 6.059 -14.900 8.958 1.00 0.00 C ATOM 1306 O GLN A 88 7.265 -14.931 9.194 1.00 0.00 O ATOM 1307 CB GLN A 88 4.683 -15.270 11.022 1.00 0.00 C ATOM 1308 CG GLN A 88 4.727 -14.716 12.442 1.00 0.00 C ATOM 1309 CD GLN A 88 4.267 -13.274 12.539 1.00 0.00 C ATOM 1310 OE1 GLN A 88 5.071 -12.348 12.416 1.00 0.00 O ATOM 1311 NE2 GLN A 88 2.985 -13.062 12.787 1.00 0.00 N ATOM 0 H GLN A 88 3.055 -14.265 9.452 1.00 0.00 H new ATOM 0 HA GLN A 88 5.615 -13.427 10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.672 -15.619 10.811 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.339 -16.138 10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.100 -15.334 13.085 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.746 -14.791 12.822 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.347 -13.852 12.883 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.635 -12.109 12.882 1.00 0.00 H new ATOM 1320 N GLN A 89 5.543 -15.395 7.844 1.00 0.00 N ATOM 1321 CA GLN A 89 6.421 -15.891 6.793 1.00 0.00 C ATOM 1322 C GLN A 89 6.880 -14.746 5.884 1.00 0.00 C ATOM 1323 O GLN A 89 7.905 -14.848 5.210 1.00 0.00 O ATOM 1324 CB GLN A 89 5.752 -17.006 5.986 1.00 0.00 C ATOM 1325 CG GLN A 89 4.537 -16.581 5.181 1.00 0.00 C ATOM 1326 CD GLN A 89 3.913 -17.748 4.443 1.00 0.00 C ATOM 1327 OE1 GLN A 89 4.600 -18.703 4.083 1.00 0.00 O ATOM 1328 NE2 GLN A 89 2.611 -17.682 4.215 1.00 0.00 N ATOM 0 H GLN A 89 4.545 -15.464 7.645 1.00 0.00 H new ATOM 0 HA GLN A 89 7.303 -16.319 7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.489 -17.432 5.305 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.455 -17.800 6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.798 -16.135 5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.826 -15.812 4.465 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.078 -16.871 4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.140 -18.442 3.724 1.00 0.00 H new ATOM 1337 N LEU A 90 6.118 -13.659 5.872 1.00 0.00 N ATOM 1338 CA LEU A 90 6.437 -12.507 5.036 1.00 0.00 C ATOM 1339 C LEU A 90 7.415 -11.559 5.751 1.00 0.00 C ATOM 1340 O LEU A 90 8.364 -11.060 5.145 1.00 0.00 O ATOM 1341 CB LEU A 90 5.147 -11.765 4.664 1.00 0.00 C ATOM 1342 CG LEU A 90 5.266 -10.701 3.564 1.00 0.00 C ATOM 1343 CD1 LEU A 90 3.988 -10.660 2.745 1.00 0.00 C ATOM 1344 CD2 LEU A 90 5.530 -9.324 4.159 1.00 0.00 C ATOM 0 H LEU A 90 5.273 -13.551 6.433 1.00 0.00 H new ATOM 0 HA LEU A 90 6.922 -12.862 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.408 -12.501 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.757 -11.286 5.562 1.00 0.00 H new ATOM 0 HG LEU A 90 6.107 -10.969 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.079 -9.903 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.819 -11.634 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.148 -10.414 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.610 -8.590 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.709 -9.050 4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.461 -9.345 4.725 1.00 0.00 H new ATOM 1356 N VAL A 91 7.175 -11.328 7.045 1.00 0.00 N ATOM 1357 CA VAL A 91 7.985 -10.410 7.856 1.00 0.00 C ATOM 1358 C VAL A 91 9.452 -10.820 7.886 1.00 0.00 C ATOM 1359 O VAL A 91 10.345 -9.974 7.958 1.00 0.00 O ATOM 1360 CB VAL A 91 7.471 -10.327 9.312 1.00 0.00 C ATOM 1361 CG1 VAL A 91 6.123 -9.625 9.390 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.394 -11.711 9.918 1.00 0.00 C ATOM 0 H VAL A 91 6.415 -11.771 7.561 1.00 0.00 H new ATOM 0 HA VAL A 91 7.893 -9.433 7.381 1.00 0.00 H new ATOM 0 HB VAL A 91 8.180 -9.732 9.887 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.793 -9.585 10.428 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.217 -8.612 9.000 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.392 -10.175 8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.031 -11.640 10.943 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.711 -12.327 9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.385 -12.165 9.915 1.00 0.00 H new ATOM 1372 N ASP A 92 9.689 -12.119 7.835 1.00 0.00 N ATOM 1373 CA ASP A 92 11.036 -12.657 7.823 1.00 0.00 C ATOM 1374 C ASP A 92 11.791 -12.149 6.596 1.00 0.00 C ATOM 1375 O ASP A 92 12.952 -11.732 6.686 1.00 0.00 O ATOM 1376 CB ASP A 92 10.971 -14.185 7.862 1.00 0.00 C ATOM 1377 CG ASP A 92 12.267 -14.843 7.432 1.00 0.00 C ATOM 1378 OD1 ASP A 92 13.223 -14.856 8.235 1.00 0.00 O ATOM 1379 OD2 ASP A 92 12.332 -15.355 6.296 1.00 0.00 O ATOM 0 H ASP A 92 8.956 -12.827 7.801 1.00 0.00 H new ATOM 0 HA ASP A 92 11.582 -12.319 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.724 -14.507 8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.164 -14.526 7.213 1.00 0.00 H new ATOM 1384 N ILE A 93 11.102 -12.137 5.462 1.00 0.00 N ATOM 1385 CA ILE A 93 11.642 -11.558 4.239 1.00 0.00 C ATOM 1386 C ILE A 93 11.893 -10.070 4.434 1.00 0.00 C ATOM 1387 O ILE A 93 12.920 -9.548 4.011 1.00 0.00 O ATOM 1388 CB ILE A 93 10.686 -11.767 3.032 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.919 -13.125 2.366 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.842 -10.659 2.001 1.00 0.00 C ATOM 1391 CD1 ILE A 93 10.778 -14.314 3.295 1.00 0.00 C ATOM 0 H ILE A 93 10.163 -12.524 5.364 1.00 0.00 H new ATOM 0 HA ILE A 93 12.580 -12.068 4.021 1.00 0.00 H new ATOM 0 HB ILE A 93 9.670 -11.738 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.213 -13.238 1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.919 -13.136 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.159 -10.836 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.612 -9.698 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.867 -10.648 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.960 -15.234 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.502 -14.231 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.770 -14.334 3.710 1.00 0.00 H new ATOM 1403 N ILE A 94 10.960 -9.396 5.099 1.00 0.00 N ATOM 1404 CA ILE A 94 11.081 -7.959 5.322 1.00 0.00 C ATOM 1405 C ILE A 94 12.380 -7.643 6.043 1.00 0.00 C ATOM 1406 O ILE A 94 13.140 -6.775 5.626 1.00 0.00 O ATOM 1407 CB ILE A 94 9.915 -7.388 6.154 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.575 -7.762 5.531 1.00 0.00 C ATOM 1409 CG2 ILE A 94 10.042 -5.873 6.262 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.390 -7.173 6.264 1.00 0.00 C ATOM 0 H ILE A 94 10.118 -9.818 5.490 1.00 0.00 H new ATOM 0 HA ILE A 94 11.063 -7.494 4.336 1.00 0.00 H new ATOM 0 HB ILE A 94 9.960 -7.819 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.557 -7.424 4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.480 -8.848 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.214 -5.480 6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.985 -5.621 6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.018 -5.434 5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.468 -7.478 5.769 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.385 -7.531 7.294 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.463 -6.085 6.258 1.00 0.00 H new ATOM 1422 N HIS A 95 12.650 -8.390 7.104 1.00 0.00 N ATOM 1423 CA HIS A 95 13.821 -8.120 7.930 1.00 0.00 C ATOM 1424 C HIS A 95 15.094 -8.416 7.153 1.00 0.00 C ATOM 1425 O HIS A 95 16.072 -7.675 7.240 1.00 0.00 O ATOM 1426 CB HIS A 95 13.814 -8.958 9.222 1.00 0.00 C ATOM 1427 CG HIS A 95 12.555 -8.862 10.025 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.108 -9.882 10.834 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.646 -7.868 10.146 1.00 0.00 C ATOM 1430 CE1 HIS A 95 10.981 -9.520 11.414 1.00 0.00 C ATOM 1431 NE2 HIS A 95 10.680 -8.302 11.014 1.00 0.00 N ATOM 0 H HIS A 95 12.082 -9.179 7.412 1.00 0.00 H new ATOM 0 HA HIS A 95 13.787 -7.065 8.202 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.984 -10.003 8.962 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.651 -8.645 9.846 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.676 -6.909 9.650 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.403 -10.120 12.101 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.860 -7.768 11.304 1.00 0.00 H new ATOM 1440 N GLY A 96 15.046 -9.448 6.323 1.00 0.00 N ATOM 1441 CA GLY A 96 16.238 -9.886 5.640 1.00 0.00 C ATOM 1442 C GLY A 96 16.495 -9.098 4.383 1.00 0.00 C ATOM 1443 O GLY A 96 17.615 -8.652 4.140 1.00 0.00 O ATOM 0 H GLY A 96 14.205 -9.986 6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.094 -9.790 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.145 -10.943 5.391 1.00 0.00 H new ATOM 1447 N CYS A 97 15.460 -8.918 3.583 1.00 0.00 N ATOM 1448 CA CYS A 97 15.599 -8.228 2.323 1.00 0.00 C ATOM 1449 C CYS A 97 15.778 -6.718 2.518 1.00 0.00 C ATOM 1450 O CYS A 97 16.503 -6.104 1.756 1.00 0.00 O ATOM 1451 CB CYS A 97 14.427 -8.552 1.395 1.00 0.00 C ATOM 1452 SG CYS A 97 14.150 -10.351 1.176 1.00 0.00 S ATOM 0 H CYS A 97 14.515 -9.242 3.788 1.00 0.00 H new ATOM 0 HA CYS A 97 16.509 -8.588 1.843 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.520 -8.098 1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.608 -8.098 0.421 1.00 0.00 H new ATOM 1457 N GLU A 98 15.125 -6.111 3.527 1.00 0.00 N ATOM 1458 CA GLU A 98 15.426 -4.713 3.874 1.00 0.00 C ATOM 1459 C GLU A 98 16.846 -4.577 4.417 1.00 0.00 C ATOM 1460 O GLU A 98 17.532 -3.592 4.135 1.00 0.00 O ATOM 1461 CB GLU A 98 14.433 -4.128 4.894 1.00 0.00 C ATOM 1462 CG GLU A 98 13.327 -3.288 4.265 1.00 0.00 C ATOM 1463 CD GLU A 98 12.597 -2.411 5.272 1.00 0.00 C ATOM 1464 OE1 GLU A 98 13.094 -1.296 5.560 1.00 0.00 O ATOM 1465 OE2 GLU A 98 11.521 -2.819 5.762 1.00 0.00 O ATOM 0 H GLU A 98 14.406 -6.553 4.100 1.00 0.00 H new ATOM 0 HA GLU A 98 15.331 -4.145 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.981 -4.945 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.981 -3.514 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.756 -2.657 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.609 -3.949 3.780 1.00 0.00 H new ATOM 1472 N LYS A 99 17.295 -5.566 5.189 1.00 0.00 N ATOM 1473 CA LYS A 99 18.649 -5.558 5.719 1.00 0.00 C ATOM 1474 C LYS A 99 19.669 -5.636 4.582 1.00 0.00 C ATOM 1475 O LYS A 99 20.674 -4.929 4.587 1.00 0.00 O ATOM 1476 CB LYS A 99 18.837 -6.736 6.677 1.00 0.00 C ATOM 1477 CG LYS A 99 20.218 -6.818 7.297 1.00 0.00 C ATOM 1478 CD LYS A 99 20.470 -5.681 8.274 1.00 0.00 C ATOM 1479 CE LYS A 99 21.811 -5.839 8.972 1.00 0.00 C ATOM 1480 NZ LYS A 99 21.903 -7.129 9.705 1.00 0.00 N ATOM 0 H LYS A 99 16.740 -6.378 5.458 1.00 0.00 H new ATOM 0 HA LYS A 99 18.808 -4.626 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.097 -6.663 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.637 -7.663 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.328 -7.771 7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.971 -6.794 6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.444 -4.730 7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.672 -5.653 9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 99 22.613 -5.781 8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 99 21.958 -5.014 9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.291 -6.961 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.956 -7.550 9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.527 -7.779 9.186 1.00 0.00 H new ATOM 1494 N SER A 100 19.391 -6.485 3.605 1.00 0.00 N ATOM 1495 CA SER A 100 20.283 -6.668 2.470 1.00 0.00 C ATOM 1496 C SER A 100 19.788 -5.893 1.246 1.00 0.00 C ATOM 1497 O SER A 100 20.133 -6.214 0.110 1.00 0.00 O ATOM 1498 CB SER A 100 20.394 -8.155 2.145 1.00 0.00 C ATOM 1499 OG SER A 100 20.781 -8.898 3.294 1.00 0.00 O ATOM 0 H SER A 100 18.550 -7.061 3.575 1.00 0.00 H new ATOM 0 HA SER A 100 21.266 -6.278 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.437 -8.523 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.123 -8.304 1.348 1.00 0.00 H new ATOM 0 HG SER A 100 20.844 -9.848 3.063 1.00 0.00 H new ATOM 1505 N ALA A 101 18.983 -4.870 1.491 1.00 0.00 N ATOM 1506 CA ALA A 101 18.464 -4.026 0.423 1.00 0.00 C ATOM 1507 C ALA A 101 19.502 -2.987 0.028 1.00 0.00 C ATOM 1508 O ALA A 101 20.399 -2.683 0.818 1.00 0.00 O ATOM 1509 CB ALA A 101 17.165 -3.346 0.851 1.00 0.00 C ATOM 0 H ALA A 101 18.673 -4.603 2.425 1.00 0.00 H new ATOM 0 HA ALA A 101 18.248 -4.655 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.796 -2.721 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.420 -4.104 1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.350 -2.727 1.729 1.00 0.00 H new ATOM 1515 N PRO A 102 19.413 -2.454 -1.208 1.00 0.00 N ATOM 1516 CA PRO A 102 20.312 -1.402 -1.687 1.00 0.00 C ATOM 1517 C PRO A 102 20.517 -0.311 -0.640 1.00 0.00 C ATOM 1518 O PRO A 102 19.573 0.073 0.055 1.00 0.00 O ATOM 1519 CB PRO A 102 19.574 -0.850 -2.905 1.00 0.00 C ATOM 1520 CG PRO A 102 18.812 -2.013 -3.433 1.00 0.00 C ATOM 1521 CD PRO A 102 18.418 -2.831 -2.234 1.00 0.00 C ATOM 0 HA PRO A 102 21.312 -1.774 -1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 102 18.909 -0.031 -2.630 1.00 0.00 H new ATOM 0 HB3 PRO A 102 20.269 -0.460 -3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 102 17.933 -1.684 -3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 102 19.421 -2.599 -4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.403 -2.602 -1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.451 -3.899 -2.450 1.00 0.00 H new ATOM 1529 N PRO A 103 21.750 0.213 -0.526 1.00 0.00 N ATOM 1530 CA PRO A 103 22.129 1.133 0.556 1.00 0.00 C ATOM 1531 C PRO A 103 21.517 2.526 0.419 1.00 0.00 C ATOM 1532 O PRO A 103 22.028 3.495 0.979 1.00 0.00 O ATOM 1533 CB PRO A 103 23.650 1.207 0.426 1.00 0.00 C ATOM 1534 CG PRO A 103 23.915 0.940 -1.012 1.00 0.00 C ATOM 1535 CD PRO A 103 22.871 -0.049 -1.447 1.00 0.00 C ATOM 0 HA PRO A 103 21.772 0.778 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.026 2.186 0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.139 0.470 1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 103 23.852 1.857 -1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 103 24.918 0.538 -1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 103 22.581 0.103 -2.487 1.00 0.00 H new ATOM 0 HD3 PRO A 103 23.229 -1.075 -1.363 1.00 0.00 H new ATOM 1543 N ASN A 104 20.419 2.619 -0.305 1.00 0.00 N ATOM 1544 CA ASN A 104 19.659 3.850 -0.384 1.00 0.00 C ATOM 1545 C ASN A 104 18.296 3.612 0.243 1.00 0.00 C ATOM 1546 O ASN A 104 17.379 3.110 -0.410 1.00 0.00 O ATOM 1547 CB ASN A 104 19.500 4.332 -1.834 1.00 0.00 C ATOM 1548 CG ASN A 104 20.805 4.801 -2.464 1.00 0.00 C ATOM 1549 OD1 ASN A 104 21.888 4.301 -2.149 1.00 0.00 O ATOM 1550 ND2 ASN A 104 20.715 5.772 -3.360 1.00 0.00 N ATOM 0 H ASN A 104 20.031 1.850 -0.851 1.00 0.00 H new ATOM 0 HA ASN A 104 20.196 4.631 0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 104 19.086 3.522 -2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 104 18.779 5.149 -1.860 1.00 0.00 H new ATOM 0 HD21 ASN A 104 21.557 6.128 -3.812 1.00 0.00 H new ATOM 0 HD22 ASN A 104 19.804 6.164 -3.598 1.00 0.00 H new ATOM 1557 N ASP A 105 18.183 3.935 1.522 1.00 0.00 N ATOM 1558 CA ASP A 105 16.966 3.671 2.274 1.00 0.00 C ATOM 1559 C ASP A 105 15.880 4.655 1.876 1.00 0.00 C ATOM 1560 O ASP A 105 15.858 5.795 2.340 1.00 0.00 O ATOM 1561 CB ASP A 105 17.226 3.747 3.781 1.00 0.00 C ATOM 1562 CG ASP A 105 16.030 3.303 4.605 1.00 0.00 C ATOM 1563 OD1 ASP A 105 15.922 2.091 4.897 1.00 0.00 O ATOM 1564 OD2 ASP A 105 15.197 4.158 4.974 1.00 0.00 O ATOM 0 H ASP A 105 18.923 4.382 2.063 1.00 0.00 H new ATOM 0 HA ASP A 105 16.631 2.661 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 105 18.085 3.123 4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 105 17.487 4.771 4.049 1.00 0.00 H new ATOM 1569 N ASP A 106 15.003 4.228 0.985 1.00 0.00 N ATOM 1570 CA ASP A 106 13.917 5.082 0.538 1.00 0.00 C ATOM 1571 C ASP A 106 12.714 4.899 1.440 1.00 0.00 C ATOM 1572 O ASP A 106 12.137 3.805 1.510 1.00 0.00 O ATOM 1573 CB ASP A 106 13.525 4.783 -0.909 1.00 0.00 C ATOM 1574 CG ASP A 106 12.445 5.722 -1.425 1.00 0.00 C ATOM 1575 OD1 ASP A 106 11.311 5.682 -0.904 1.00 0.00 O ATOM 1576 OD2 ASP A 106 12.724 6.491 -2.372 1.00 0.00 O ATOM 0 H ASP A 106 15.021 3.301 0.559 1.00 0.00 H new ATOM 0 HA ASP A 106 14.263 6.115 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.406 4.864 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.173 3.754 -0.982 1.00 0.00 H new ATOM 1581 N LYS A 107 12.381 5.986 2.129 1.00 0.00 N ATOM 1582 CA LYS A 107 11.259 6.065 3.071 1.00 0.00 C ATOM 1583 C LYS A 107 10.091 5.127 2.719 1.00 0.00 C ATOM 1584 O LYS A 107 9.761 4.234 3.497 1.00 0.00 O ATOM 1585 CB LYS A 107 10.779 7.522 3.138 1.00 0.00 C ATOM 1586 CG LYS A 107 9.871 7.850 4.314 1.00 0.00 C ATOM 1587 CD LYS A 107 8.421 7.485 4.046 1.00 0.00 C ATOM 1588 CE LYS A 107 7.497 8.099 5.082 1.00 0.00 C ATOM 1589 NZ LYS A 107 7.564 9.586 5.070 1.00 0.00 N ATOM 0 H LYS A 107 12.896 6.863 2.048 1.00 0.00 H new ATOM 0 HA LYS A 107 11.620 5.729 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.652 8.174 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.250 7.757 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.220 7.317 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.940 8.915 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.135 7.828 3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.309 6.401 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.473 7.780 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.765 7.731 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.689 9.976 5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.378 9.901 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.672 9.921 4.091 1.00 0.00 H new ATOM 1603 N CYS A 108 9.444 5.328 1.576 1.00 0.00 N ATOM 1604 CA CYS A 108 8.272 4.531 1.244 1.00 0.00 C ATOM 1605 C CYS A 108 8.596 3.334 0.324 1.00 0.00 C ATOM 1606 O CYS A 108 7.772 2.436 0.185 1.00 0.00 O ATOM 1607 CB CYS A 108 7.201 5.442 0.621 1.00 0.00 C ATOM 1608 SG CYS A 108 5.521 4.736 0.563 1.00 0.00 S ATOM 0 H CYS A 108 9.706 6.023 0.876 1.00 0.00 H new ATOM 0 HA CYS A 108 7.891 4.095 2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.167 6.374 1.185 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.507 5.694 -0.394 1.00 0.00 H new ATOM 1613 N MET A 109 9.793 3.291 -0.274 1.00 0.00 N ATOM 1614 CA MET A 109 10.081 2.289 -1.311 1.00 0.00 C ATOM 1615 C MET A 109 10.591 0.942 -0.768 1.00 0.00 C ATOM 1616 O MET A 109 10.435 -0.109 -1.415 1.00 0.00 O ATOM 1617 CB MET A 109 11.105 2.814 -2.308 1.00 0.00 C ATOM 1618 CG MET A 109 10.546 3.015 -3.700 1.00 0.00 C ATOM 1619 SD MET A 109 9.959 1.489 -4.460 1.00 0.00 S ATOM 1620 CE MET A 109 11.482 0.550 -4.574 1.00 0.00 C ATOM 0 H MET A 109 10.565 3.924 -0.064 1.00 0.00 H new ATOM 0 HA MET A 109 9.119 2.109 -1.791 1.00 0.00 H new ATOM 0 HB2 MET A 109 11.501 3.762 -1.944 1.00 0.00 H new ATOM 0 HB3 MET A 109 11.941 2.117 -2.358 1.00 0.00 H new ATOM 0 HG2 MET A 109 9.724 3.729 -3.654 1.00 0.00 H new ATOM 0 HG3 MET A 109 11.316 3.455 -4.333 1.00 0.00 H new ATOM 0 HE1 MET A 109 11.494 -0.011 -5.508 1.00 0.00 H new ATOM 0 HE2 MET A 109 12.332 1.231 -4.549 1.00 0.00 H new ATOM 0 HE3 MET A 109 11.546 -0.142 -3.734 1.00 0.00 H new ATOM 1630 N LYS A 110 11.211 0.974 0.405 1.00 0.00 N ATOM 1631 CA LYS A 110 11.905 -0.217 0.938 1.00 0.00 C ATOM 1632 C LYS A 110 10.973 -1.409 0.982 1.00 0.00 C ATOM 1633 O LYS A 110 11.327 -2.529 0.616 1.00 0.00 O ATOM 1634 CB LYS A 110 12.449 0.010 2.353 1.00 0.00 C ATOM 1635 CG LYS A 110 11.398 0.334 3.405 1.00 0.00 C ATOM 1636 CD LYS A 110 11.423 1.787 3.812 1.00 0.00 C ATOM 1637 CE LYS A 110 12.809 2.222 4.260 1.00 0.00 C ATOM 1638 NZ LYS A 110 13.330 1.415 5.399 1.00 0.00 N ATOM 0 H LYS A 110 11.254 1.796 1.008 1.00 0.00 H new ATOM 0 HA LYS A 110 12.739 -0.407 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 110 12.990 -0.883 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 110 13.172 0.825 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.410 0.085 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.562 -0.290 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 110 11.101 2.405 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.711 1.951 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 110 13.499 2.143 3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 110 12.779 3.272 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 14.330 1.650 5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.780 1.627 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 13.245 0.403 5.175 1.00 0.00 H new ATOM 1652 N THR A 111 9.788 -1.135 1.462 1.00 0.00 N ATOM 1653 CA THR A 111 8.734 -2.103 1.578 1.00 0.00 C ATOM 1654 C THR A 111 8.363 -2.754 0.236 1.00 0.00 C ATOM 1655 O THR A 111 7.691 -3.785 0.218 1.00 0.00 O ATOM 1656 CB THR A 111 7.522 -1.430 2.241 1.00 0.00 C ATOM 1657 OG1 THR A 111 6.521 -2.403 2.564 1.00 0.00 O ATOM 1658 CG2 THR A 111 6.920 -0.330 1.359 1.00 0.00 C ATOM 0 H THR A 111 9.525 -0.206 1.791 1.00 0.00 H new ATOM 0 HA THR A 111 9.087 -2.925 2.201 1.00 0.00 H new ATOM 0 HB THR A 111 7.877 -0.961 3.158 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.601 -3.168 1.957 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.066 0.118 1.868 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.672 0.436 1.169 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.593 -0.761 0.412 1.00 0.00 H new ATOM 1666 N ILE A 112 8.826 -2.194 -0.881 1.00 0.00 N ATOM 1667 CA ILE A 112 8.553 -2.790 -2.171 1.00 0.00 C ATOM 1668 C ILE A 112 9.682 -3.747 -2.502 1.00 0.00 C ATOM 1669 O ILE A 112 9.452 -4.836 -3.032 1.00 0.00 O ATOM 1670 CB ILE A 112 8.372 -1.743 -3.288 1.00 0.00 C ATOM 1671 CG1 ILE A 112 6.922 -1.252 -3.359 1.00 0.00 C ATOM 1672 CG2 ILE A 112 8.804 -2.289 -4.640 1.00 0.00 C ATOM 1673 CD1 ILE A 112 6.429 -0.589 -2.094 1.00 0.00 C ATOM 0 H ILE A 112 9.383 -1.340 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 112 7.605 -3.325 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 112 9.014 -0.898 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.829 -0.547 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.275 -2.098 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.663 -1.524 -5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.856 -2.571 -4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.203 -3.164 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.395 -0.271 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.486 -1.296 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.049 0.279 -1.873 1.00 0.00 H new ATOM 1685 N ASP A 113 10.910 -3.351 -2.138 1.00 0.00 N ATOM 1686 CA ASP A 113 12.066 -4.231 -2.306 1.00 0.00 C ATOM 1687 C ASP A 113 11.867 -5.542 -1.540 1.00 0.00 C ATOM 1688 O ASP A 113 12.208 -6.620 -2.040 1.00 0.00 O ATOM 1689 CB ASP A 113 13.369 -3.554 -1.844 1.00 0.00 C ATOM 1690 CG ASP A 113 13.778 -2.386 -2.719 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.473 -2.612 -3.736 1.00 0.00 O ATOM 1692 OD2 ASP A 113 13.425 -1.238 -2.387 1.00 0.00 O ATOM 0 H ASP A 113 11.123 -2.440 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 113 12.152 -4.447 -3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.246 -3.206 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.171 -4.292 -1.836 1.00 0.00 H new ATOM 1697 N VAL A 114 11.268 -5.468 -0.350 1.00 0.00 N ATOM 1698 CA VAL A 114 11.024 -6.671 0.435 1.00 0.00 C ATOM 1699 C VAL A 114 9.799 -7.411 -0.098 1.00 0.00 C ATOM 1700 O VAL A 114 9.756 -8.641 -0.123 1.00 0.00 O ATOM 1701 CB VAL A 114 10.839 -6.391 1.938 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.155 -5.999 2.570 1.00 0.00 C ATOM 1703 CG2 VAL A 114 9.824 -5.309 2.167 1.00 0.00 C ATOM 0 H VAL A 114 10.949 -4.601 0.083 1.00 0.00 H new ATOM 0 HA VAL A 114 11.916 -7.289 0.331 1.00 0.00 H new ATOM 0 HB VAL A 114 10.478 -7.308 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.005 -5.805 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.873 -6.810 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.537 -5.099 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.715 -5.133 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.154 -4.391 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.865 -5.616 1.750 1.00 0.00 H new ATOM 1713 N ALA A 115 8.806 -6.654 -0.540 1.00 0.00 N ATOM 1714 CA ALA A 115 7.600 -7.235 -1.105 1.00 0.00 C ATOM 1715 C ALA A 115 7.903 -8.058 -2.350 1.00 0.00 C ATOM 1716 O ALA A 115 7.429 -9.190 -2.487 1.00 0.00 O ATOM 1717 CB ALA A 115 6.604 -6.143 -1.409 1.00 0.00 C ATOM 0 H ALA A 115 8.813 -5.634 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 115 7.170 -7.915 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.701 -6.582 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.353 -5.613 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.037 -5.444 -2.124 1.00 0.00 H new ATOM 1723 N MET A 116 8.703 -7.506 -3.259 1.00 0.00 N ATOM 1724 CA MET A 116 9.095 -8.264 -4.444 1.00 0.00 C ATOM 1725 C MET A 116 10.042 -9.406 -4.065 1.00 0.00 C ATOM 1726 O MET A 116 10.184 -10.383 -4.796 1.00 0.00 O ATOM 1727 CB MET A 116 9.662 -7.381 -5.586 1.00 0.00 C ATOM 1728 CG MET A 116 10.856 -6.488 -5.255 1.00 0.00 C ATOM 1729 SD MET A 116 11.522 -5.673 -6.720 1.00 0.00 S ATOM 1730 CE MET A 116 12.856 -4.721 -5.994 1.00 0.00 C ATOM 0 H MET A 116 9.084 -6.562 -3.202 1.00 0.00 H new ATOM 0 HA MET A 116 8.184 -8.700 -4.855 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.949 -8.037 -6.408 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.856 -6.745 -5.952 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.554 -5.735 -4.528 1.00 0.00 H new ATOM 0 HG3 MET A 116 11.637 -7.087 -4.787 1.00 0.00 H new ATOM 0 HE1 MET A 116 13.600 -4.496 -6.758 1.00 0.00 H new ATOM 0 HE2 MET A 116 12.460 -3.790 -5.588 1.00 0.00 H new ATOM 0 HE3 MET A 116 13.321 -5.297 -5.194 1.00 0.00 H new ATOM 1740 N CYS A 117 10.625 -9.317 -2.882 1.00 0.00 N ATOM 1741 CA CYS A 117 11.473 -10.378 -2.350 1.00 0.00 C ATOM 1742 C CYS A 117 10.595 -11.560 -1.938 1.00 0.00 C ATOM 1743 O CYS A 117 10.987 -12.729 -2.040 1.00 0.00 O ATOM 1744 CB CYS A 117 12.260 -9.822 -1.158 1.00 0.00 C ATOM 1745 SG CYS A 117 13.860 -10.630 -0.822 1.00 0.00 S ATOM 0 H CYS A 117 10.527 -8.512 -2.263 1.00 0.00 H new ATOM 0 HA CYS A 117 12.181 -10.727 -3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.438 -8.760 -1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.639 -9.903 -0.266 1.00 0.00 H new ATOM 1750 N PHE A 118 9.370 -11.244 -1.537 1.00 0.00 N ATOM 1751 CA PHE A 118 8.443 -12.250 -1.058 1.00 0.00 C ATOM 1752 C PHE A 118 7.743 -12.963 -2.208 1.00 0.00 C ATOM 1753 O PHE A 118 7.527 -14.166 -2.136 1.00 0.00 O ATOM 1754 CB PHE A 118 7.409 -11.640 -0.106 1.00 0.00 C ATOM 1755 CG PHE A 118 6.432 -12.647 0.435 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.825 -13.556 1.404 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.125 -12.688 -0.027 1.00 0.00 C ATOM 1758 CE1 PHE A 118 5.935 -14.488 1.904 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.229 -13.617 0.469 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.635 -14.518 1.436 1.00 0.00 C ATOM 0 H PHE A 118 8.999 -10.294 -1.536 1.00 0.00 H new ATOM 0 HA PHE A 118 9.028 -12.988 -0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 118 7.928 -11.164 0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.861 -10.857 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.840 -13.536 1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.803 -11.987 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.255 -15.191 2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.214 -13.639 0.102 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.937 -15.244 1.825 1.00 0.00 H new ATOM 1770 N LYS A 119 7.357 -12.247 -3.265 1.00 0.00 N ATOM 1771 CA LYS A 119 6.740 -12.936 -4.395 1.00 0.00 C ATOM 1772 C LYS A 119 7.777 -13.793 -5.124 1.00 0.00 C ATOM 1773 O LYS A 119 7.420 -14.759 -5.797 1.00 0.00 O ATOM 1774 CB LYS A 119 5.947 -11.998 -5.335 1.00 0.00 C ATOM 1775 CG LYS A 119 6.610 -11.627 -6.661 1.00 0.00 C ATOM 1776 CD LYS A 119 7.907 -10.874 -6.467 1.00 0.00 C ATOM 1777 CE LYS A 119 8.355 -10.158 -7.730 1.00 0.00 C ATOM 1778 NZ LYS A 119 8.369 -11.044 -8.926 1.00 0.00 N ATOM 0 H LYS A 119 7.454 -11.236 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 119 5.980 -13.606 -3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.989 -12.469 -5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.733 -11.077 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.802 -12.534 -7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.924 -11.018 -7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.785 -10.147 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.684 -11.570 -6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.691 -9.314 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.354 -9.750 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.824 -10.549 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.900 -11.912 -8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 7.393 -11.291 -9.186 1.00 0.00 H new ATOM 1792 N LYS A 120 9.066 -13.440 -5.005 1.00 0.00 N ATOM 1793 CA LYS A 120 10.123 -14.408 -5.305 1.00 0.00 C ATOM 1794 C LYS A 120 9.898 -15.691 -4.507 1.00 0.00 C ATOM 1795 O LYS A 120 9.812 -16.784 -5.071 1.00 0.00 O ATOM 1796 CB LYS A 120 11.499 -13.848 -4.944 1.00 0.00 C ATOM 1797 CG LYS A 120 12.457 -13.808 -6.113 1.00 0.00 C ATOM 1798 CD LYS A 120 12.011 -12.777 -7.122 1.00 0.00 C ATOM 1799 CE LYS A 120 12.176 -11.371 -6.583 1.00 0.00 C ATOM 1800 NZ LYS A 120 13.607 -11.015 -6.382 1.00 0.00 N ATOM 0 H LYS A 120 9.392 -12.519 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 120 10.089 -14.616 -6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.380 -12.840 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.933 -14.455 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.461 -13.571 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.507 -14.790 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.591 -12.888 -8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.967 -12.948 -7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.720 -10.662 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.644 -11.281 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.699 -9.983 -6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.959 -11.469 -5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.164 -11.344 -7.196 1.00 0.00 H new ATOM 1814 N GLU A 121 9.789 -15.537 -3.192 1.00 0.00 N ATOM 1815 CA GLU A 121 9.542 -16.670 -2.294 1.00 0.00 C ATOM 1816 C GLU A 121 8.241 -17.428 -2.625 1.00 0.00 C ATOM 1817 O GLU A 121 8.254 -18.657 -2.721 1.00 0.00 O ATOM 1818 CB GLU A 121 9.512 -16.195 -0.842 1.00 0.00 C ATOM 1819 CG GLU A 121 10.878 -15.805 -0.295 1.00 0.00 C ATOM 1820 CD GLU A 121 11.847 -16.965 -0.299 1.00 0.00 C ATOM 1821 OE1 GLU A 121 11.827 -17.761 0.665 1.00 0.00 O ATOM 1822 OE2 GLU A 121 12.619 -17.094 -1.264 1.00 0.00 O ATOM 0 H GLU A 121 9.867 -14.637 -2.718 1.00 0.00 H new ATOM 0 HA GLU A 121 10.365 -17.370 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.842 -15.339 -0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.094 -16.986 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.287 -14.990 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.767 -15.430 0.723 1.00 0.00 H new ATOM 1829 N ILE A 122 7.119 -16.716 -2.783 1.00 0.00 N ATOM 1830 CA ILE A 122 5.858 -17.358 -3.124 1.00 0.00 C ATOM 1831 C ILE A 122 5.980 -18.144 -4.429 1.00 0.00 C ATOM 1832 O ILE A 122 5.371 -19.200 -4.585 1.00 0.00 O ATOM 1833 CB ILE A 122 4.699 -16.345 -3.220 1.00 0.00 C ATOM 1834 CG1 ILE A 122 3.361 -17.065 -3.098 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.742 -15.576 -4.512 1.00 0.00 C ATOM 1836 CD1 ILE A 122 2.155 -16.150 -3.192 1.00 0.00 C ATOM 0 H ILE A 122 7.065 -15.703 -2.680 1.00 0.00 H new ATOM 0 HA ILE A 122 5.627 -18.051 -2.315 1.00 0.00 H new ATOM 0 HB ILE A 122 4.811 -15.637 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.294 -17.819 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.330 -17.593 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.910 -14.872 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.683 -15.030 -4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.664 -16.268 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.243 -16.739 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 122 2.196 -15.411 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 122 2.159 -15.641 -4.156 1.00 0.00 H new ATOM 1848 N HIS A 123 6.781 -17.638 -5.360 1.00 0.00 N ATOM 1849 CA HIS A 123 7.008 -18.338 -6.615 1.00 0.00 C ATOM 1850 C HIS A 123 7.846 -19.603 -6.426 1.00 0.00 C ATOM 1851 O HIS A 123 7.692 -20.565 -7.177 1.00 0.00 O ATOM 1852 CB HIS A 123 7.647 -17.422 -7.655 1.00 0.00 C ATOM 1853 CG HIS A 123 6.637 -16.646 -8.439 1.00 0.00 C ATOM 1854 ND1 HIS A 123 6.661 -16.550 -9.809 1.00 0.00 N ATOM 1855 CD2 HIS A 123 5.558 -15.940 -8.034 1.00 0.00 C ATOM 1856 CE1 HIS A 123 5.640 -15.819 -10.214 1.00 0.00 C ATOM 1857 NE2 HIS A 123 4.953 -15.435 -9.155 1.00 0.00 N ATOM 0 H HIS A 123 7.280 -16.753 -5.269 1.00 0.00 H new ATOM 0 HA HIS A 123 6.029 -18.645 -6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.324 -16.729 -7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.250 -18.020 -8.338 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.232 -15.800 -7.014 1.00 0.00 H new ATOM 0 HE1 HIS A 123 5.406 -15.576 -11.240 1.00 0.00 H new ATOM 0 HE2 HIS A 123 4.112 -14.858 -9.169 1.00 0.00 H new ATOM 1866 N LYS A 124 8.724 -19.610 -5.423 1.00 0.00 N ATOM 1867 CA LYS A 124 9.473 -20.807 -5.076 1.00 0.00 C ATOM 1868 C LYS A 124 8.505 -21.895 -4.624 1.00 0.00 C ATOM 1869 O LYS A 124 8.711 -23.084 -4.882 1.00 0.00 O ATOM 1870 CB LYS A 124 10.466 -20.484 -3.953 1.00 0.00 C ATOM 1871 CG LYS A 124 11.430 -21.609 -3.629 1.00 0.00 C ATOM 1872 CD LYS A 124 12.322 -21.921 -4.814 1.00 0.00 C ATOM 1873 CE LYS A 124 13.433 -22.881 -4.434 1.00 0.00 C ATOM 1874 NZ LYS A 124 14.328 -23.170 -5.582 1.00 0.00 N ATOM 0 H LYS A 124 8.930 -18.799 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 124 10.026 -21.160 -5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.039 -19.600 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 124 9.907 -20.229 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.043 -21.331 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.871 -22.501 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.725 -22.353 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.754 -20.997 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.016 -22.457 -3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.000 -23.812 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.074 -23.830 -5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.777 -23.598 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.761 -22.285 -5.916 1.00 0.00 H new ATOM 1888 N LEU A 125 7.436 -21.466 -3.961 1.00 0.00 N ATOM 1889 CA LEU A 125 6.346 -22.360 -3.571 1.00 0.00 C ATOM 1890 C LEU A 125 5.496 -22.801 -4.777 1.00 0.00 C ATOM 1891 O LEU A 125 4.673 -23.712 -4.652 1.00 0.00 O ATOM 1892 CB LEU A 125 5.448 -21.676 -2.535 1.00 0.00 C ATOM 1893 CG LEU A 125 6.167 -21.155 -1.289 1.00 0.00 C ATOM 1894 CD1 LEU A 125 5.178 -20.479 -0.350 1.00 0.00 C ATOM 1895 CD2 LEU A 125 6.897 -22.286 -0.577 1.00 0.00 C ATOM 0 H LEU A 125 7.299 -20.495 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 125 6.800 -23.252 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.938 -20.841 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.679 -22.382 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 125 6.906 -20.417 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 125 5.705 -20.114 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 125 4.704 -19.642 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.416 -21.197 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 125 7.402 -21.894 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.180 -23.050 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 125 7.633 -22.725 -1.251 1.00 0.00 H new