USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 791 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 20 SER OG : rot -35:sc= 0.00959 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.0085 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.202 X(o=-0.22,f=-0.35) USER MOD Set 2.2: A 10 TYR OH : rot 30:sc= -0.26 USER MOD Set 2.3: A 28 SER OG : rot -99:sc= 0.244 USER MOD Set 3.1: A 11 SER OG : rot -96:sc= 0.945 USER MOD Set 3.2: A 21 ASN : amide:sc= -0.345 X(o=0.6,f=0.18) USER MOD Set 4.1: A 2 GLN : amide:sc= -4.17! C(o=-5.8!,f=-11!) USER MOD Set 4.2: A 84 HIS : no HD1:sc= -0.771 K(o=-5.8,f=-13!) USER MOD Set 4.3: A 86 THR OG1 : rot -84:sc= -0.906 USER MOD Single : A 1 ILE N :NH3+ 176:sc= -0.295 (180deg=-0.327) USER MOD Single : A 4 THR OG1 : rot 31:sc= 0.974 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0216 (180deg=-0.205) USER MOD Single : A 13 HIS : no HD1:sc= -0.466 X(o=-0.47,f=0.001) USER MOD Single : A 17 ASN : amide:sc= -3.28! C(o=-3.3!,f=-6.8!) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0466) USER MOD Single : A 24 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.669 K(o=-0.67,f=-1.4) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.596 X(o=-0.6,f=-0.35) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0502 X(o=-0.05,f=-0.00092) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 55 SER OG : rot 30:sc= 1.2 USER MOD Single : A 57 SER OG : rot 96:sc= 0.128 USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= -0.0529 (180deg=-0.32) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 66 TYR OH : rot -92:sc= 1.12 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -16:sc= 0.451 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 97:sc= 1.24 USER MOD Single : A 83 ASN : amide:sc= -0.338 K(o=-0.34,f=-2.1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -20.769 -8.492 -6.326 1.00 0.00 N ATOM 2 CA ILE A 1 -21.117 -7.296 -5.525 1.00 0.00 C ATOM 3 C ILE A 1 -19.851 -6.615 -5.034 1.00 0.00 C ATOM 4 O ILE A 1 -18.747 -7.095 -5.304 1.00 0.00 O ATOM 5 CB ILE A 1 -22.002 -7.657 -4.300 1.00 0.00 C ATOM 6 CG1 ILE A 1 -21.317 -8.710 -3.407 1.00 0.00 C ATOM 7 CG2 ILE A 1 -23.363 -8.155 -4.763 1.00 0.00 C ATOM 8 CD1 ILE A 1 -22.124 -9.087 -2.182 1.00 0.00 C ATOM 0 H1 ILE A 1 -21.639 -8.991 -6.602 1.00 0.00 H new ATOM 0 H2 ILE A 1 -20.252 -8.200 -7.180 1.00 0.00 H new ATOM 0 H3 ILE A 1 -20.171 -9.127 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 1 -21.682 -6.625 -6.172 1.00 0.00 H new ATOM 0 HB ILE A 1 -22.141 -6.755 -3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -21.129 -9.607 -3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -20.347 -8.328 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -23.974 -8.405 -3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -23.858 -7.376 -5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -23.234 -9.042 -5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -21.579 -9.832 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -22.291 -8.201 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -23.084 -9.500 -2.492 1.00 0.00 H new ATOM 19 N GLN A 2 -20.019 -5.491 -4.340 1.00 0.00 N ATOM 20 CA GLN A 2 -18.901 -4.795 -3.711 1.00 0.00 C ATOM 21 C GLN A 2 -17.981 -4.237 -4.811 1.00 0.00 C ATOM 22 O GLN A 2 -18.473 -3.741 -5.824 1.00 0.00 O ATOM 23 CB GLN A 2 -18.169 -5.778 -2.769 1.00 0.00 C ATOM 24 CG GLN A 2 -17.285 -5.123 -1.717 1.00 0.00 C ATOM 25 CD GLN A 2 -18.084 -4.399 -0.654 1.00 0.00 C ATOM 26 OE1 GLN A 2 -19.146 -3.844 -0.921 1.00 0.00 O ATOM 27 NE2 GLN A 2 -17.592 -4.429 0.571 1.00 0.00 N ATOM 0 H GLN A 2 -20.924 -5.042 -4.199 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.244 -3.953 -3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -18.912 -6.395 -2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.555 -6.447 -3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.664 -5.884 -1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.610 -4.418 -2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -16.706 -4.900 0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.098 -3.981 1.335 1.00 0.00 H new ATOM 36 N ARG A 3 -16.665 -4.336 -4.635 1.00 0.00 N ATOM 37 CA ARG A 3 -15.704 -3.870 -5.646 1.00 0.00 C ATOM 38 C ARG A 3 -14.387 -4.508 -5.300 1.00 0.00 C ATOM 39 O ARG A 3 -14.056 -4.611 -4.118 1.00 0.00 O ATOM 40 CB ARG A 3 -15.461 -2.326 -5.753 1.00 0.00 C ATOM 41 CG ARG A 3 -16.613 -1.379 -5.381 1.00 0.00 C ATOM 42 CD ARG A 3 -16.837 -0.288 -6.433 1.00 0.00 C ATOM 43 NE ARG A 3 -15.592 0.374 -6.836 1.00 0.00 N ATOM 44 CZ ARG A 3 -15.463 1.696 -6.990 1.00 0.00 C ATOM 45 NH1 ARG A 3 -16.490 2.504 -6.743 1.00 0.00 N ATOM 46 NH2 ARG A 3 -14.305 2.211 -7.396 1.00 0.00 N ATOM 0 H ARG A 3 -16.234 -4.735 -3.801 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.132 -4.147 -6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.610 -2.079 -5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.168 -2.106 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.529 -1.957 -5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -16.400 -0.913 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -17.311 -0.727 -7.311 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -17.528 0.456 -6.037 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.774 -0.210 -7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.381 2.116 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.386 3.512 -6.862 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.514 1.597 -7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.208 3.220 -7.513 1.00 0.00 H new ATOM 60 N THR A 4 -13.652 -4.955 -6.294 1.00 0.00 N ATOM 61 CA THR A 4 -12.363 -5.557 -6.032 1.00 0.00 C ATOM 62 C THR A 4 -11.327 -4.457 -5.840 1.00 0.00 C ATOM 63 O THR A 4 -10.974 -3.762 -6.797 1.00 0.00 O ATOM 64 CB THR A 4 -11.921 -6.511 -7.167 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.698 -5.777 -8.379 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.968 -7.584 -7.422 1.00 0.00 C ATOM 0 H THR A 4 -13.919 -4.915 -7.278 1.00 0.00 H new ATOM 0 HA THR A 4 -12.449 -6.156 -5.126 1.00 0.00 H new ATOM 0 HB THR A 4 -10.994 -6.990 -6.851 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.386 -4.874 -8.162 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.630 -8.239 -8.225 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.118 -8.169 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.908 -7.114 -7.710 1.00 0.00 H new ATOM 74 N PRO A 5 -10.845 -4.250 -4.604 1.00 0.00 N ATOM 75 CA PRO A 5 -9.908 -3.181 -4.328 1.00 0.00 C ATOM 76 C PRO A 5 -8.594 -3.441 -5.044 1.00 0.00 C ATOM 77 O PRO A 5 -7.973 -4.492 -4.856 1.00 0.00 O ATOM 78 CB PRO A 5 -9.710 -3.206 -2.808 1.00 0.00 C ATOM 79 CG PRO A 5 -10.738 -4.149 -2.270 1.00 0.00 C ATOM 80 CD PRO A 5 -11.149 -5.042 -3.410 1.00 0.00 C ATOM 0 HA PRO A 5 -10.271 -2.213 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.704 -3.539 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.834 -2.210 -2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.331 -4.736 -1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.596 -3.603 -1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.596 -5.981 -3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.208 -5.296 -3.357 1.00 0.00 H new ATOM 88 N LYS A 6 -8.170 -2.497 -5.858 1.00 0.00 N ATOM 89 CA LYS A 6 -7.025 -2.717 -6.719 1.00 0.00 C ATOM 90 C LYS A 6 -5.773 -2.152 -6.070 1.00 0.00 C ATOM 91 O LYS A 6 -5.832 -1.147 -5.357 1.00 0.00 O ATOM 92 CB LYS A 6 -7.261 -2.074 -8.090 1.00 0.00 C ATOM 93 CG LYS A 6 -6.242 -2.475 -9.142 1.00 0.00 C ATOM 94 CD LYS A 6 -6.478 -1.745 -10.454 1.00 0.00 C ATOM 95 CE LYS A 6 -5.533 -2.226 -11.544 1.00 0.00 C ATOM 96 NZ LYS A 6 -5.781 -3.645 -11.913 1.00 0.00 N ATOM 0 H LYS A 6 -8.597 -1.575 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.889 -3.789 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.257 -2.345 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.247 -0.990 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.238 -2.257 -8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.294 -3.551 -9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.509 -1.896 -10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.344 -0.674 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.648 -1.597 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.503 -2.115 -11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.278 -3.867 -12.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.438 -4.266 -11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.801 -3.795 -12.049 1.00 0.00 H new ATOM 110 N ILE A 7 -4.644 -2.796 -6.325 1.00 0.00 N ATOM 111 CA ILE A 7 -3.412 -2.460 -5.638 1.00 0.00 C ATOM 112 C ILE A 7 -2.593 -1.474 -6.442 1.00 0.00 C ATOM 113 O ILE A 7 -2.236 -1.732 -7.597 1.00 0.00 O ATOM 114 CB ILE A 7 -2.538 -3.703 -5.378 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.405 -4.921 -5.059 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.561 -3.431 -4.240 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.351 -4.712 -3.903 1.00 0.00 C ATOM 0 H ILE A 7 -4.558 -3.553 -7.003 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.707 -2.020 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.971 -3.919 -6.283 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.982 -5.186 -5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.756 -5.768 -4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.949 -4.316 -4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.918 -2.592 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.116 -3.190 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.931 -5.620 -3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.781 -4.478 -3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.026 -3.887 -4.130 1.00 0.00 H new ATOM 129 N GLN A 8 -2.305 -0.344 -5.836 1.00 0.00 N ATOM 130 CA GLN A 8 -1.368 0.603 -6.418 1.00 0.00 C ATOM 131 C GLN A 8 -0.353 0.977 -5.337 1.00 0.00 C ATOM 132 O GLN A 8 -0.708 1.538 -4.301 1.00 0.00 O ATOM 133 CB GLN A 8 -2.085 1.884 -6.944 1.00 0.00 C ATOM 134 CG GLN A 8 -3.598 1.746 -6.951 1.00 0.00 C ATOM 135 CD GLN A 8 -4.310 3.084 -7.023 1.00 0.00 C ATOM 136 OE1 GLN A 8 -5.419 3.240 -6.506 1.00 0.00 O ATOM 137 NE2 GLN A 8 -3.685 4.060 -7.667 1.00 0.00 N ATOM 0 H GLN A 8 -2.703 -0.055 -4.942 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.878 0.141 -7.275 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.804 2.734 -6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.739 2.100 -7.955 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.898 1.133 -7.801 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.914 1.219 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.768 3.892 -8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.121 4.979 -7.748 1.00 0.00 H new ATOM 146 N VAL A 9 0.896 0.644 -5.582 1.00 0.00 N ATOM 147 CA VAL A 9 1.971 0.958 -4.664 1.00 0.00 C ATOM 148 C VAL A 9 3.087 1.668 -5.407 1.00 0.00 C ATOM 149 O VAL A 9 3.611 1.176 -6.409 1.00 0.00 O ATOM 150 CB VAL A 9 2.491 -0.303 -3.907 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.548 -1.518 -4.816 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.856 -0.048 -3.278 1.00 0.00 C ATOM 0 H VAL A 9 1.195 0.149 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 9 1.579 1.627 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 9 1.778 -0.512 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.915 -2.376 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.550 -1.734 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.220 -1.317 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.190 -0.946 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.574 0.209 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.781 0.776 -2.568 1.00 0.00 H new ATOM 162 N TYR A 10 3.420 2.844 -4.912 1.00 0.00 N ATOM 163 CA TYR A 10 4.404 3.704 -5.549 1.00 0.00 C ATOM 164 C TYR A 10 5.280 4.303 -4.468 1.00 0.00 C ATOM 165 O TYR A 10 4.934 4.259 -3.290 1.00 0.00 O ATOM 166 CB TYR A 10 3.743 4.857 -6.345 1.00 0.00 C ATOM 167 CG TYR A 10 2.561 4.465 -7.211 1.00 0.00 C ATOM 168 CD1 TYR A 10 2.733 3.708 -8.363 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.273 4.882 -6.891 1.00 0.00 C ATOM 170 CE1 TYR A 10 1.657 3.378 -9.167 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.198 4.557 -7.686 1.00 0.00 C ATOM 172 CZ TYR A 10 0.392 3.808 -8.823 1.00 0.00 C ATOM 173 OH TYR A 10 -0.686 3.479 -9.613 1.00 0.00 O ATOM 0 H TYR A 10 3.018 3.232 -4.058 1.00 0.00 H new ATOM 0 HA TYR A 10 4.981 3.101 -6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.415 5.620 -5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.500 5.315 -6.981 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.723 3.372 -8.635 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.114 5.473 -6.001 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.806 2.787 -10.059 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.794 4.889 -7.418 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.520 2.618 -10.050 1.00 0.00 H new ATOM 183 N SER A 11 6.419 4.835 -4.846 1.00 0.00 N ATOM 184 CA SER A 11 7.225 5.581 -3.912 1.00 0.00 C ATOM 185 C SER A 11 6.815 7.048 -3.978 1.00 0.00 C ATOM 186 O SER A 11 6.532 7.555 -5.065 1.00 0.00 O ATOM 187 CB SER A 11 8.704 5.407 -4.251 1.00 0.00 C ATOM 188 OG SER A 11 9.527 6.058 -3.308 1.00 0.00 O ATOM 0 H SER A 11 6.805 4.765 -5.787 1.00 0.00 H new ATOM 0 HA SER A 11 7.069 5.214 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.950 4.346 -4.280 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.901 5.807 -5.246 1.00 0.00 H new ATOM 0 HG SER A 11 9.774 6.944 -3.646 1.00 0.00 H new ATOM 194 N ARG A 12 6.742 7.717 -2.829 1.00 0.00 N ATOM 195 CA ARG A 12 6.324 9.123 -2.799 1.00 0.00 C ATOM 196 C ARG A 12 7.250 9.947 -3.692 1.00 0.00 C ATOM 197 O ARG A 12 6.802 10.715 -4.542 1.00 0.00 O ATOM 198 CB ARG A 12 6.365 9.649 -1.353 1.00 0.00 C ATOM 199 CG ARG A 12 5.428 10.825 -1.036 1.00 0.00 C ATOM 200 CD ARG A 12 5.506 11.948 -2.054 1.00 0.00 C ATOM 201 NE ARG A 12 4.343 11.960 -2.943 1.00 0.00 N ATOM 202 CZ ARG A 12 3.517 12.997 -3.077 1.00 0.00 C ATOM 203 NH1 ARG A 12 3.753 14.127 -2.420 1.00 0.00 N ATOM 204 NH2 ARG A 12 2.466 12.911 -3.883 1.00 0.00 N ATOM 0 H ARG A 12 6.963 7.318 -1.917 1.00 0.00 H new ATOM 0 HA ARG A 12 5.303 9.209 -3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.122 8.826 -0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.387 9.954 -1.127 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.402 10.460 -0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.673 11.220 -0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.576 12.904 -1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.415 11.839 -2.646 1.00 0.00 H new ATOM 0 HE ARG A 12 4.153 11.123 -3.494 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.568 14.202 -1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.119 14.919 -2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.290 12.050 -4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.835 13.706 -3.984 1.00 0.00 H new ATOM 218 N HIS A 13 8.540 9.747 -3.503 1.00 0.00 N ATOM 219 CA HIS A 13 9.555 10.439 -4.284 1.00 0.00 C ATOM 220 C HIS A 13 10.534 9.404 -4.863 1.00 0.00 C ATOM 221 O HIS A 13 10.402 8.222 -4.539 1.00 0.00 O ATOM 222 CB HIS A 13 10.280 11.482 -3.419 1.00 0.00 C ATOM 223 CG HIS A 13 9.506 12.756 -3.218 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.870 13.667 -2.256 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.410 13.225 -3.874 1.00 0.00 C ATOM 226 CE1 HIS A 13 9.001 14.658 -2.343 1.00 0.00 C ATOM 227 NE2 HIS A 13 8.099 14.434 -3.308 1.00 0.00 N ATOM 0 H HIS A 13 8.916 9.103 -2.807 1.00 0.00 H new ATOM 0 HA HIS A 13 9.086 10.975 -5.109 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.497 11.043 -2.445 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.238 11.720 -3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.886 12.739 -4.684 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.016 15.537 -1.716 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.327 15.047 -3.571 1.00 0.00 H new ATOM 235 N PRO A 14 11.518 9.799 -5.717 1.00 0.00 N ATOM 236 CA PRO A 14 12.434 8.842 -6.372 1.00 0.00 C ATOM 237 C PRO A 14 13.065 7.835 -5.407 1.00 0.00 C ATOM 238 O PRO A 14 13.319 8.138 -4.235 1.00 0.00 O ATOM 239 CB PRO A 14 13.531 9.727 -6.989 1.00 0.00 C ATOM 240 CG PRO A 14 13.286 11.121 -6.471 1.00 0.00 C ATOM 241 CD PRO A 14 11.821 11.183 -6.128 1.00 0.00 C ATOM 0 HA PRO A 14 11.890 8.234 -7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.522 9.374 -6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.485 9.702 -8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.901 11.326 -5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.543 11.868 -7.222 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.624 11.895 -5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.219 11.491 -6.983 1.00 0.00 H new ATOM 249 N ALA A 15 13.321 6.636 -5.922 1.00 0.00 N ATOM 250 CA ALA A 15 13.907 5.562 -5.137 1.00 0.00 C ATOM 251 C ALA A 15 15.411 5.740 -5.019 1.00 0.00 C ATOM 252 O ALA A 15 16.139 5.595 -6.003 1.00 0.00 O ATOM 253 CB ALA A 15 13.602 4.215 -5.776 1.00 0.00 C ATOM 0 H ALA A 15 13.128 6.385 -6.892 1.00 0.00 H new ATOM 0 HA ALA A 15 13.470 5.595 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.047 3.420 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.523 4.072 -5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.018 4.188 -6.783 1.00 0.00 H new ATOM 259 N GLU A 16 15.881 6.048 -3.822 1.00 0.00 N ATOM 260 CA GLU A 16 17.304 6.205 -3.600 1.00 0.00 C ATOM 261 C GLU A 16 17.802 5.139 -2.637 1.00 0.00 C ATOM 262 O GLU A 16 17.339 5.030 -1.501 1.00 0.00 O ATOM 263 CB GLU A 16 17.606 7.606 -3.067 1.00 0.00 C ATOM 264 CG GLU A 16 18.956 8.184 -3.498 1.00 0.00 C ATOM 265 CD GLU A 16 20.168 7.548 -2.849 1.00 0.00 C ATOM 266 OE1 GLU A 16 20.775 6.659 -3.482 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.550 7.974 -1.742 1.00 0.00 O ATOM 0 H GLU A 16 15.301 6.193 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 16 17.827 6.083 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.817 8.282 -3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.570 7.580 -1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.048 8.082 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.963 9.251 -3.276 1.00 0.00 H new ATOM 274 N ASN A 17 18.725 4.346 -3.128 1.00 0.00 N ATOM 275 CA ASN A 17 19.278 3.224 -2.371 1.00 0.00 C ATOM 276 C ASN A 17 20.353 3.698 -1.404 1.00 0.00 C ATOM 277 O ASN A 17 21.383 4.236 -1.802 1.00 0.00 O ATOM 278 CB ASN A 17 19.783 2.140 -3.342 1.00 0.00 C ATOM 279 CG ASN A 17 20.872 1.223 -2.792 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.957 0.957 -1.593 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.703 0.707 -3.691 1.00 0.00 N ATOM 0 H ASN A 17 19.120 4.452 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 17 18.495 2.776 -1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.935 1.527 -3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.162 2.629 -4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.441 0.068 -3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.603 0.950 -4.677 1.00 0.00 H new ATOM 288 N GLY A 18 20.095 3.471 -0.127 1.00 0.00 N ATOM 289 CA GLY A 18 20.932 4.014 0.918 1.00 0.00 C ATOM 290 C GLY A 18 20.374 5.328 1.422 1.00 0.00 C ATOM 291 O GLY A 18 21.049 6.076 2.128 1.00 0.00 O ATOM 0 H GLY A 18 19.310 2.912 0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 18 21.002 3.303 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.943 4.164 0.540 1.00 0.00 H new ATOM 295 N LYS A 19 19.127 5.597 1.058 1.00 0.00 N ATOM 296 CA LYS A 19 18.484 6.864 1.368 1.00 0.00 C ATOM 297 C LYS A 19 17.171 6.637 2.095 1.00 0.00 C ATOM 298 O LYS A 19 16.444 5.693 1.795 1.00 0.00 O ATOM 299 CB LYS A 19 18.194 7.604 0.070 1.00 0.00 C ATOM 300 CG LYS A 19 17.753 9.051 0.249 1.00 0.00 C ATOM 301 CD LYS A 19 18.930 10.007 0.411 1.00 0.00 C ATOM 302 CE LYS A 19 18.501 11.332 1.042 1.00 0.00 C ATOM 303 NZ LYS A 19 17.404 11.983 0.273 1.00 0.00 N ATOM 0 H LYS A 19 18.536 4.945 0.542 1.00 0.00 H new ATOM 0 HA LYS A 19 19.150 7.445 2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.089 7.585 -0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.417 7.066 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.159 9.355 -0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.107 9.124 1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.695 9.540 1.031 1.00 0.00 H new ATOM 0 HD3 LYS A 19 19.381 10.197 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.172 11.157 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.358 12.004 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.257 12.949 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.661 12.020 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.527 11.435 0.387 1.00 0.00 H new ATOM 317 N SER A 20 16.870 7.504 3.043 1.00 0.00 N ATOM 318 CA SER A 20 15.581 7.486 3.690 1.00 0.00 C ATOM 319 C SER A 20 14.539 8.078 2.749 1.00 0.00 C ATOM 320 O SER A 20 14.773 9.111 2.121 1.00 0.00 O ATOM 321 CB SER A 20 15.650 8.272 4.986 1.00 0.00 C ATOM 322 OG SER A 20 16.575 7.678 5.885 1.00 0.00 O ATOM 0 H SER A 20 17.504 8.229 3.379 1.00 0.00 H new ATOM 0 HA SER A 20 15.296 6.461 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.946 9.300 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.663 8.312 5.446 1.00 0.00 H new ATOM 0 HG SER A 20 16.547 6.703 5.787 1.00 0.00 H new ATOM 328 N ASN A 21 13.407 7.413 2.647 1.00 0.00 N ATOM 329 CA ASN A 21 12.380 7.787 1.683 1.00 0.00 C ATOM 330 C ASN A 21 11.007 7.435 2.239 1.00 0.00 C ATOM 331 O ASN A 21 10.908 6.874 3.334 1.00 0.00 O ATOM 332 CB ASN A 21 12.625 7.044 0.362 1.00 0.00 C ATOM 333 CG ASN A 21 12.170 7.832 -0.856 1.00 0.00 C ATOM 334 OD1 ASN A 21 12.268 9.057 -0.892 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.628 7.140 -1.849 1.00 0.00 N ATOM 0 H ASN A 21 13.169 6.605 3.222 1.00 0.00 H new ATOM 0 HA ASN A 21 12.421 8.861 1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.688 6.822 0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.101 6.089 0.386 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.277 7.624 -2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.563 6.124 -1.786 1.00 0.00 H new ATOM 342 N PHE A 22 9.949 7.739 1.491 1.00 0.00 N ATOM 343 CA PHE A 22 8.595 7.498 1.967 1.00 0.00 C ATOM 344 C PHE A 22 7.848 6.588 0.996 1.00 0.00 C ATOM 345 O PHE A 22 7.719 6.904 -0.190 1.00 0.00 O ATOM 346 CB PHE A 22 7.836 8.825 2.120 1.00 0.00 C ATOM 347 CG PHE A 22 8.311 9.701 3.246 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.520 9.893 4.366 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.541 10.341 3.182 1.00 0.00 C ATOM 350 CE1 PHE A 22 7.942 10.707 5.399 1.00 0.00 C ATOM 351 CE2 PHE A 22 9.970 11.155 4.214 1.00 0.00 C ATOM 352 CZ PHE A 22 9.169 11.336 5.325 1.00 0.00 C ATOM 0 H PHE A 22 10.005 8.150 0.559 1.00 0.00 H new ATOM 0 HA PHE A 22 8.655 7.010 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.917 9.382 1.187 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.779 8.607 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.561 9.400 4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.171 10.201 2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.312 10.851 6.264 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.929 11.648 4.152 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.502 11.969 6.135 1.00 0.00 H new ATOM 362 N LEU A 23 7.362 5.462 1.500 1.00 0.00 N ATOM 363 CA LEU A 23 6.592 4.528 0.683 1.00 0.00 C ATOM 364 C LEU A 23 5.158 5.014 0.591 1.00 0.00 C ATOM 365 O LEU A 23 4.717 5.813 1.414 1.00 0.00 O ATOM 366 CB LEU A 23 6.627 3.132 1.308 1.00 0.00 C ATOM 367 CG LEU A 23 6.964 1.949 0.370 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.940 0.644 1.155 1.00 0.00 C ATOM 369 CD2 LEU A 23 6.001 1.854 -0.812 1.00 0.00 C ATOM 0 H LEU A 23 7.486 5.171 2.470 1.00 0.00 H new ATOM 0 HA LEU A 23 7.027 4.476 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.358 3.142 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.654 2.939 1.760 1.00 0.00 H new ATOM 0 HG LEU A 23 7.961 2.127 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.178 -0.186 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.677 0.688 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.948 0.494 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.279 1.008 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.985 1.713 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.051 2.773 -1.397 1.00 0.00 H new ATOM 381 N ASN A 24 4.445 4.553 -0.413 1.00 0.00 N ATOM 382 CA ASN A 24 3.049 4.907 -0.574 1.00 0.00 C ATOM 383 C ASN A 24 2.252 3.713 -1.093 1.00 0.00 C ATOM 384 O ASN A 24 2.587 3.132 -2.126 1.00 0.00 O ATOM 385 CB ASN A 24 2.922 6.105 -1.524 1.00 0.00 C ATOM 386 CG ASN A 24 1.488 6.430 -1.885 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.949 5.917 -2.864 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.868 7.300 -1.107 1.00 0.00 N ATOM 0 H ASN A 24 4.809 3.930 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 24 2.639 5.188 0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.380 6.979 -1.060 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.482 5.898 -2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.095 7.569 -1.309 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.352 7.702 -0.304 1.00 0.00 H new ATOM 395 N CYS A 25 1.210 3.348 -0.368 1.00 0.00 N ATOM 396 CA CYS A 25 0.351 2.248 -0.766 1.00 0.00 C ATOM 397 C CYS A 25 -1.095 2.729 -0.750 1.00 0.00 C ATOM 398 O CYS A 25 -1.611 3.171 0.282 1.00 0.00 O ATOM 399 CB CYS A 25 0.558 1.045 0.162 1.00 0.00 C ATOM 400 SG CYS A 25 0.112 -0.561 -0.577 1.00 0.00 S ATOM 0 H CYS A 25 0.937 3.801 0.505 1.00 0.00 H new ATOM 0 HA CYS A 25 0.603 1.920 -1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.604 1.013 0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.034 1.192 1.066 1.00 0.00 H new ATOM 405 N TYR A 26 -1.727 2.653 -1.908 1.00 0.00 N ATOM 406 CA TYR A 26 -3.064 3.190 -2.112 1.00 0.00 C ATOM 407 C TYR A 26 -3.983 2.082 -2.577 1.00 0.00 C ATOM 408 O TYR A 26 -3.836 1.568 -3.686 1.00 0.00 O ATOM 409 CB TYR A 26 -3.060 4.297 -3.177 1.00 0.00 C ATOM 410 CG TYR A 26 -3.137 5.724 -2.655 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.335 6.265 -2.191 1.00 0.00 C ATOM 412 CD2 TYR A 26 -2.021 6.551 -2.686 1.00 0.00 C ATOM 413 CE1 TYR A 26 -4.412 7.579 -1.772 1.00 0.00 C ATOM 414 CE2 TYR A 26 -2.091 7.864 -2.260 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.287 8.372 -1.805 1.00 0.00 C ATOM 416 OH TYR A 26 -3.361 9.678 -1.384 1.00 0.00 O ATOM 0 H TYR A 26 -1.327 2.215 -2.738 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.409 3.608 -1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.153 4.197 -3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.902 4.131 -3.849 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.219 5.646 -2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.082 6.161 -3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.350 7.982 -1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.211 8.489 -2.284 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.481 10.100 -1.470 1.00 0.00 H new ATOM 426 N VAL A 27 -4.913 1.697 -1.736 1.00 0.00 N ATOM 427 CA VAL A 27 -5.867 0.680 -2.119 1.00 0.00 C ATOM 428 C VAL A 27 -7.261 1.292 -2.212 1.00 0.00 C ATOM 429 O VAL A 27 -7.778 1.818 -1.228 1.00 0.00 O ATOM 430 CB VAL A 27 -5.868 -0.508 -1.135 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.483 -1.729 -1.791 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.460 -0.819 -0.648 1.00 0.00 C ATOM 0 H VAL A 27 -5.031 2.066 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.572 0.293 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.469 -0.232 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.478 -2.561 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.509 -1.507 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.904 -1.998 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.492 -1.661 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.828 -1.073 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.050 0.054 -0.139 1.00 0.00 H new ATOM 442 N SER A 28 -7.851 1.250 -3.403 1.00 0.00 N ATOM 443 CA SER A 28 -9.143 1.883 -3.636 1.00 0.00 C ATOM 444 C SER A 28 -10.097 0.947 -4.381 1.00 0.00 C ATOM 445 O SER A 28 -9.668 -0.050 -4.970 1.00 0.00 O ATOM 446 CB SER A 28 -8.950 3.181 -4.424 1.00 0.00 C ATOM 447 OG SER A 28 -8.135 2.972 -5.569 1.00 0.00 O ATOM 0 H SER A 28 -7.455 0.785 -4.220 1.00 0.00 H new ATOM 0 HA SER A 28 -9.590 2.111 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.921 3.570 -4.732 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.493 3.934 -3.782 1.00 0.00 H new ATOM 0 HG SER A 28 -7.217 3.253 -5.373 1.00 0.00 H new ATOM 453 N GLY A 29 -11.390 1.280 -4.349 1.00 0.00 N ATOM 454 CA GLY A 29 -12.395 0.456 -4.982 1.00 0.00 C ATOM 455 C GLY A 29 -12.878 -0.617 -4.043 1.00 0.00 C ATOM 456 O GLY A 29 -12.378 -1.731 -4.079 1.00 0.00 O ATOM 0 H GLY A 29 -11.754 2.115 -3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.235 1.076 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.983 -0.001 -5.882 1.00 0.00 H new ATOM 460 N PHE A 30 -13.900 -0.305 -3.244 1.00 0.00 N ATOM 461 CA PHE A 30 -14.221 -1.181 -2.117 1.00 0.00 C ATOM 462 C PHE A 30 -15.329 -0.605 -1.230 1.00 0.00 C ATOM 463 O PHE A 30 -15.812 0.502 -1.468 1.00 0.00 O ATOM 464 CB PHE A 30 -12.990 -1.563 -1.292 1.00 0.00 C ATOM 465 CG PHE A 30 -12.345 -0.483 -0.476 1.00 0.00 C ATOM 466 CD1 PHE A 30 -12.874 -0.105 0.743 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.161 0.090 -0.897 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.231 0.821 1.533 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.519 1.031 -0.123 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.045 1.395 1.100 1.00 0.00 C ATOM 0 H PHE A 30 -14.499 0.514 -3.349 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.602 -2.102 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.274 -2.371 -0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.239 -1.965 -1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.803 -0.541 1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.734 -0.203 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.650 1.100 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.603 1.484 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.536 2.122 1.716 1.00 0.00 H new ATOM 480 N HIS A 31 -15.689 -1.376 -0.197 1.00 0.00 N ATOM 481 CA HIS A 31 -16.642 -0.976 0.855 1.00 0.00 C ATOM 482 C HIS A 31 -16.331 -1.866 2.065 1.00 0.00 C ATOM 483 O HIS A 31 -15.463 -2.730 1.950 1.00 0.00 O ATOM 484 CB HIS A 31 -18.128 -1.159 0.443 1.00 0.00 C ATOM 485 CG HIS A 31 -18.557 -0.410 -0.787 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.979 0.896 -0.720 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.638 -0.835 -2.073 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.302 1.236 -1.956 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.114 0.219 -2.812 1.00 0.00 N ATOM 0 H HIS A 31 -15.320 -2.317 -0.063 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.524 0.087 1.063 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.314 -2.221 0.283 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.758 -0.846 1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.378 -1.815 -2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.671 2.210 -2.241 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.291 0.228 -3.817 1.00 0.00 H new ATOM 497 N PRO A 32 -16.988 -1.714 3.234 1.00 0.00 N ATOM 498 CA PRO A 32 -17.964 -0.649 3.534 1.00 0.00 C ATOM 499 C PRO A 32 -17.356 0.755 3.543 1.00 0.00 C ATOM 500 O PRO A 32 -17.750 1.608 2.751 1.00 0.00 O ATOM 501 CB PRO A 32 -18.474 -1.002 4.938 1.00 0.00 C ATOM 502 CG PRO A 32 -18.116 -2.433 5.141 1.00 0.00 C ATOM 503 CD PRO A 32 -16.859 -2.659 4.357 1.00 0.00 C ATOM 0 HA PRO A 32 -18.739 -0.613 2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.010 -0.370 5.695 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.551 -0.852 5.014 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -17.961 -2.650 6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.915 -3.088 4.794 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -15.970 -2.456 4.954 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -16.781 -3.689 4.009 1.00 0.00 H new ATOM 511 N SER A 33 -16.420 1.005 4.451 1.00 0.00 N ATOM 512 CA SER A 33 -15.778 2.304 4.541 1.00 0.00 C ATOM 513 C SER A 33 -14.327 2.138 4.962 1.00 0.00 C ATOM 514 O SER A 33 -13.746 3.021 5.590 1.00 0.00 O ATOM 515 CB SER A 33 -16.520 3.180 5.554 1.00 0.00 C ATOM 516 OG SER A 33 -16.570 2.557 6.832 1.00 0.00 O ATOM 0 H SER A 33 -16.091 0.323 5.134 1.00 0.00 H new ATOM 0 HA SER A 33 -15.809 2.785 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.023 4.146 5.637 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.533 3.372 5.200 1.00 0.00 H new ATOM 0 HG SER A 33 -17.047 3.138 7.461 1.00 0.00 H new ATOM 522 N ASP A 34 -13.750 1.000 4.600 1.00 0.00 N ATOM 523 CA ASP A 34 -12.409 0.662 5.071 1.00 0.00 C ATOM 524 C ASP A 34 -11.886 -0.636 4.461 1.00 0.00 C ATOM 525 O ASP A 34 -12.656 -1.526 4.100 1.00 0.00 O ATOM 526 CB ASP A 34 -12.374 0.572 6.617 1.00 0.00 C ATOM 527 CG ASP A 34 -13.398 -0.399 7.177 1.00 0.00 C ATOM 528 OD1 ASP A 34 -14.613 -0.100 7.113 1.00 0.00 O ATOM 529 OD2 ASP A 34 -12.990 -1.451 7.711 1.00 0.00 O ATOM 0 H ASP A 34 -14.179 0.303 3.991 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.752 1.467 4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.378 0.265 6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.552 1.562 7.037 1.00 0.00 H new ATOM 534 N ILE A 35 -10.565 -0.713 4.344 1.00 0.00 N ATOM 535 CA ILE A 35 -9.872 -1.911 3.869 1.00 0.00 C ATOM 536 C ILE A 35 -8.634 -2.106 4.731 1.00 0.00 C ATOM 537 O ILE A 35 -8.139 -1.140 5.311 1.00 0.00 O ATOM 538 CB ILE A 35 -9.434 -1.800 2.383 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.197 -3.202 1.820 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.164 -0.963 2.248 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.221 -3.265 0.661 1.00 0.00 C ATOM 0 H ILE A 35 -9.938 0.057 4.577 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.560 -2.753 3.941 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.226 -1.305 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.829 -3.843 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.152 -3.614 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.879 -0.901 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.346 0.040 2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.359 -1.429 2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.117 -4.298 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.594 -2.655 -0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.250 -2.887 0.982 1.00 0.00 H new ATOM 553 N GLU A 36 -8.137 -3.326 4.861 1.00 0.00 N ATOM 554 CA GLU A 36 -6.919 -3.545 5.617 1.00 0.00 C ATOM 555 C GLU A 36 -5.794 -3.911 4.664 1.00 0.00 C ATOM 556 O GLU A 36 -5.895 -4.883 3.904 1.00 0.00 O ATOM 557 CB GLU A 36 -7.110 -4.666 6.640 1.00 0.00 C ATOM 558 CG GLU A 36 -6.034 -4.704 7.725 1.00 0.00 C ATOM 559 CD GLU A 36 -5.903 -3.389 8.458 1.00 0.00 C ATOM 560 OE1 GLU A 36 -6.569 -3.212 9.497 1.00 0.00 O ATOM 561 OE2 GLU A 36 -5.118 -2.534 8.002 1.00 0.00 O ATOM 0 H GLU A 36 -8.552 -4.166 4.459 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.669 -2.628 6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.085 -4.551 7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.120 -5.623 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.271 -5.492 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.076 -4.961 7.273 1.00 0.00 H new ATOM 568 N VAL A 37 -4.738 -3.129 4.699 1.00 0.00 N ATOM 569 CA VAL A 37 -3.593 -3.341 3.830 1.00 0.00 C ATOM 570 C VAL A 37 -2.305 -3.216 4.632 1.00 0.00 C ATOM 571 O VAL A 37 -2.185 -2.368 5.517 1.00 0.00 O ATOM 572 CB VAL A 37 -3.603 -2.387 2.595 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.656 -1.315 2.762 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.237 -1.750 2.309 1.00 0.00 C ATOM 0 H VAL A 37 -4.645 -2.330 5.327 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.655 -4.352 3.428 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.845 -3.006 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.649 -0.659 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.637 -1.780 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.443 -0.732 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.314 -1.099 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.920 -1.165 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.504 -2.533 2.113 1.00 0.00 H new ATOM 584 N ASP A 38 -1.367 -4.088 4.329 1.00 0.00 N ATOM 585 CA ASP A 38 -0.127 -4.174 5.079 1.00 0.00 C ATOM 586 C ASP A 38 1.063 -4.184 4.129 1.00 0.00 C ATOM 587 O ASP A 38 0.957 -4.633 2.993 1.00 0.00 O ATOM 588 CB ASP A 38 -0.156 -5.417 5.987 1.00 0.00 C ATOM 589 CG ASP A 38 0.865 -6.475 5.634 1.00 0.00 C ATOM 590 OD1 ASP A 38 0.486 -7.450 4.956 1.00 0.00 O ATOM 591 OD2 ASP A 38 2.025 -6.354 6.071 1.00 0.00 O ATOM 0 H ASP A 38 -1.439 -4.755 3.561 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.021 -3.298 5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.007 -5.102 7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.151 -5.861 5.943 1.00 0.00 H new ATOM 596 N LEU A 39 2.175 -3.639 4.586 1.00 0.00 N ATOM 597 CA LEU A 39 3.363 -3.531 3.757 1.00 0.00 C ATOM 598 C LEU A 39 4.362 -4.616 4.138 1.00 0.00 C ATOM 599 O LEU A 39 4.564 -4.902 5.315 1.00 0.00 O ATOM 600 CB LEU A 39 4.011 -2.149 3.892 1.00 0.00 C ATOM 601 CG LEU A 39 3.061 -0.948 3.798 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.841 0.354 3.930 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.270 -0.960 2.500 1.00 0.00 C ATOM 0 H LEU A 39 2.281 -3.263 5.528 1.00 0.00 H new ATOM 0 HA LEU A 39 3.064 -3.663 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.528 -2.104 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.770 -2.048 3.116 1.00 0.00 H new ATOM 0 HG LEU A 39 2.349 -1.022 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.155 1.198 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.350 0.377 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.578 0.420 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.608 -0.094 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.957 -0.922 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.677 -1.873 2.444 1.00 0.00 H new ATOM 615 N LEU A 40 4.979 -5.206 3.131 1.00 0.00 N ATOM 616 CA LEU A 40 5.856 -6.350 3.318 1.00 0.00 C ATOM 617 C LEU A 40 7.306 -6.041 2.981 1.00 0.00 C ATOM 618 O LEU A 40 7.655 -4.957 2.517 1.00 0.00 O ATOM 619 CB LEU A 40 5.430 -7.533 2.458 1.00 0.00 C ATOM 620 CG LEU A 40 3.938 -7.834 2.390 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.690 -8.904 1.341 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.415 -8.279 3.747 1.00 0.00 C ATOM 0 H LEU A 40 4.887 -4.907 2.160 1.00 0.00 H new ATOM 0 HA LEU A 40 5.774 -6.597 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.788 -7.361 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.939 -8.423 2.829 1.00 0.00 H new ATOM 0 HG LEU A 40 3.402 -6.927 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.623 -9.122 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.035 -8.549 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.233 -9.810 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.348 -8.488 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.941 -9.180 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.581 -7.488 4.478 1.00 0.00 H new ATOM 634 N LYS A 41 8.113 -7.065 3.188 1.00 0.00 N ATOM 635 CA LYS A 41 9.537 -7.048 2.884 1.00 0.00 C ATOM 636 C LYS A 41 9.974 -8.442 2.479 1.00 0.00 C ATOM 637 O LYS A 41 10.195 -9.302 3.328 1.00 0.00 O ATOM 638 CB LYS A 41 10.365 -6.567 4.063 1.00 0.00 C ATOM 639 CG LYS A 41 10.364 -5.060 4.248 1.00 0.00 C ATOM 640 CD LYS A 41 10.902 -4.699 5.627 1.00 0.00 C ATOM 641 CE LYS A 41 10.964 -3.199 5.861 1.00 0.00 C ATOM 642 NZ LYS A 41 11.521 -2.879 7.202 1.00 0.00 N ATOM 0 H LYS A 41 7.793 -7.951 3.580 1.00 0.00 H new ATOM 0 HA LYS A 41 9.702 -6.347 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.988 -7.034 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.393 -6.906 3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.975 -4.591 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.352 -4.673 4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.270 -5.155 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.900 -5.122 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.579 -2.735 5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.964 -2.774 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.549 -1.847 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.920 -3.302 7.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.484 -3.264 7.279 1.00 0.00 H new ATOM 656 N ASN A 42 10.062 -8.657 1.171 1.00 0.00 N ATOM 657 CA ASN A 42 10.341 -9.974 0.581 1.00 0.00 C ATOM 658 C ASN A 42 9.245 -10.998 0.897 1.00 0.00 C ATOM 659 O ASN A 42 9.172 -12.052 0.267 1.00 0.00 O ATOM 660 CB ASN A 42 11.717 -10.515 1.001 1.00 0.00 C ATOM 661 CG ASN A 42 12.860 -9.866 0.244 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.257 -10.331 -0.821 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.411 -8.798 0.800 1.00 0.00 N ATOM 0 H ASN A 42 9.941 -7.918 0.478 1.00 0.00 H new ATOM 0 HA ASN A 42 10.353 -9.822 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.856 -10.351 2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.744 -11.592 0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.194 -8.331 0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.052 -8.442 1.686 1.00 0.00 H new ATOM 670 N GLY A 43 8.387 -10.683 1.856 1.00 0.00 N ATOM 671 CA GLY A 43 7.277 -11.552 2.175 1.00 0.00 C ATOM 672 C GLY A 43 6.850 -11.457 3.624 1.00 0.00 C ATOM 673 O GLY A 43 5.921 -12.141 4.045 1.00 0.00 O ATOM 0 H GLY A 43 8.442 -9.836 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.431 -11.301 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.553 -12.582 1.950 1.00 0.00 H new ATOM 677 N GLU A 44 7.527 -10.618 4.393 1.00 0.00 N ATOM 678 CA GLU A 44 7.242 -10.497 5.808 1.00 0.00 C ATOM 679 C GLU A 44 6.624 -9.144 6.140 1.00 0.00 C ATOM 680 O GLU A 44 6.891 -8.150 5.468 1.00 0.00 O ATOM 681 CB GLU A 44 8.538 -10.735 6.558 1.00 0.00 C ATOM 682 CG GLU A 44 9.564 -9.634 6.427 1.00 0.00 C ATOM 683 CD GLU A 44 9.437 -8.556 7.484 1.00 0.00 C ATOM 684 OE1 GLU A 44 9.041 -8.885 8.622 1.00 0.00 O ATOM 685 OE2 GLU A 44 9.794 -7.397 7.205 1.00 0.00 O ATOM 0 H GLU A 44 8.277 -10.013 4.058 1.00 0.00 H new ATOM 0 HA GLU A 44 6.502 -11.238 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.308 -10.873 7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.980 -11.666 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.561 -10.070 6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.471 -9.177 5.442 1.00 0.00 H new ATOM 692 N ARG A 45 5.783 -9.133 7.167 1.00 0.00 N ATOM 693 CA ARG A 45 5.017 -7.950 7.547 1.00 0.00 C ATOM 694 C ARG A 45 5.873 -6.860 8.200 1.00 0.00 C ATOM 695 O ARG A 45 6.697 -7.132 9.077 1.00 0.00 O ATOM 696 CB ARG A 45 3.900 -8.353 8.513 1.00 0.00 C ATOM 697 CG ARG A 45 2.953 -7.245 8.865 1.00 0.00 C ATOM 698 CD ARG A 45 1.723 -7.827 9.567 1.00 0.00 C ATOM 699 NE ARG A 45 1.477 -9.225 9.202 1.00 0.00 N ATOM 700 CZ ARG A 45 0.451 -9.626 8.452 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.383 -8.733 7.932 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.263 -10.918 8.215 1.00 0.00 N ATOM 0 H ARG A 45 5.612 -9.944 7.761 1.00 0.00 H new ATOM 0 HA ARG A 45 4.609 -7.532 6.627 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.333 -9.172 8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.350 -8.735 9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.447 -6.522 9.514 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.652 -6.710 7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.857 -7.755 10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.847 -7.229 9.314 1.00 0.00 H new ATOM 0 HE ARG A 45 2.129 -9.932 9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.239 -7.738 8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.168 -9.042 7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.905 -11.607 8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.523 -11.222 7.641 1.00 0.00 H new ATOM 716 N ILE A 46 5.634 -5.622 7.776 1.00 0.00 N ATOM 717 CA ILE A 46 6.248 -4.450 8.372 1.00 0.00 C ATOM 718 C ILE A 46 5.325 -3.874 9.435 1.00 0.00 C ATOM 719 O ILE A 46 4.107 -3.821 9.251 1.00 0.00 O ATOM 720 CB ILE A 46 6.513 -3.356 7.316 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.373 -3.899 6.182 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.187 -2.149 7.950 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.543 -2.918 5.041 1.00 0.00 C ATOM 0 H ILE A 46 5.004 -5.408 7.003 1.00 0.00 H new ATOM 0 HA ILE A 46 7.197 -4.759 8.810 1.00 0.00 H new ATOM 0 HB ILE A 46 5.552 -3.044 6.906 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.355 -4.164 6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.924 -4.816 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.365 -1.390 7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.542 -1.739 8.728 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.138 -2.452 8.389 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.165 -3.365 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.566 -2.671 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.020 -2.010 5.410 1.00 0.00 H new ATOM 735 N GLU A 47 5.901 -3.438 10.539 1.00 0.00 N ATOM 736 CA GLU A 47 5.122 -2.851 11.625 1.00 0.00 C ATOM 737 C GLU A 47 5.208 -1.328 11.621 1.00 0.00 C ATOM 738 O GLU A 47 4.255 -0.657 12.012 1.00 0.00 O ATOM 739 CB GLU A 47 5.537 -3.389 13.004 1.00 0.00 C ATOM 740 CG GLU A 47 7.012 -3.713 13.168 1.00 0.00 C ATOM 741 CD GLU A 47 7.391 -5.071 12.622 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.038 -5.129 11.556 1.00 0.00 O ATOM 743 OE2 GLU A 47 7.059 -6.085 13.269 1.00 0.00 O ATOM 0 H GLU A 47 6.905 -3.477 10.712 1.00 0.00 H new ATOM 0 HA GLU A 47 4.089 -3.147 11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.259 -2.654 13.759 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.961 -4.291 13.210 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.603 -2.949 12.663 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.271 -3.669 14.226 1.00 0.00 H new ATOM 750 N LYS A 48 6.357 -0.783 11.204 1.00 0.00 N ATOM 751 CA LYS A 48 6.546 0.668 11.071 1.00 0.00 C ATOM 752 C LYS A 48 5.586 1.311 10.069 1.00 0.00 C ATOM 753 O LYS A 48 5.702 2.496 9.756 1.00 0.00 O ATOM 754 CB LYS A 48 7.983 0.942 10.649 1.00 0.00 C ATOM 755 CG LYS A 48 8.999 0.366 11.612 1.00 0.00 C ATOM 756 CD LYS A 48 9.526 1.423 12.567 1.00 0.00 C ATOM 757 CE LYS A 48 10.316 0.822 13.727 1.00 0.00 C ATOM 758 NZ LYS A 48 10.739 1.869 14.693 1.00 0.00 N ATOM 0 H LYS A 48 7.179 -1.331 10.950 1.00 0.00 H new ATOM 0 HA LYS A 48 6.330 1.114 12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.151 0.523 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.134 2.019 10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.543 -0.444 12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.829 -0.065 11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.163 2.118 12.019 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.690 2.001 12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.705 0.078 14.238 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.194 0.304 13.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.273 1.429 15.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.341 2.565 14.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.899 2.346 15.078 1.00 0.00 H new ATOM 772 N VAL A 49 4.667 0.524 9.551 1.00 0.00 N ATOM 773 CA VAL A 49 3.633 1.031 8.671 1.00 0.00 C ATOM 774 C VAL A 49 2.594 1.819 9.448 1.00 0.00 C ATOM 775 O VAL A 49 2.127 1.384 10.504 1.00 0.00 O ATOM 776 CB VAL A 49 2.926 -0.110 7.933 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.890 0.443 6.964 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.947 -0.977 7.224 1.00 0.00 C ATOM 0 H VAL A 49 4.614 -0.480 9.726 1.00 0.00 H new ATOM 0 HA VAL A 49 4.123 1.683 7.949 1.00 0.00 H new ATOM 0 HB VAL A 49 2.398 -0.732 8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.398 -0.381 6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.148 1.021 7.515 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.381 1.086 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.437 -1.786 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.501 -0.373 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.639 -1.396 7.955 1.00 0.00 H new ATOM 788 N GLU A 50 2.233 2.972 8.920 1.00 0.00 N ATOM 789 CA GLU A 50 1.201 3.786 9.520 1.00 0.00 C ATOM 790 C GLU A 50 0.241 4.287 8.455 1.00 0.00 C ATOM 791 O GLU A 50 0.627 4.538 7.311 1.00 0.00 O ATOM 792 CB GLU A 50 1.805 4.971 10.278 1.00 0.00 C ATOM 793 CG GLU A 50 2.779 4.563 11.371 1.00 0.00 C ATOM 794 CD GLU A 50 3.218 5.731 12.222 1.00 0.00 C ATOM 795 OE1 GLU A 50 2.576 5.982 13.264 1.00 0.00 O ATOM 796 OE2 GLU A 50 4.205 6.404 11.865 1.00 0.00 O ATOM 0 H GLU A 50 2.643 3.365 8.073 1.00 0.00 H new ATOM 0 HA GLU A 50 0.655 3.167 10.232 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.319 5.621 9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.999 5.556 10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.312 3.810 12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.655 4.099 10.918 1.00 0.00 H new ATOM 803 N HIS A 51 -1.010 4.408 8.841 1.00 0.00 N ATOM 804 CA HIS A 51 -2.021 5.000 7.982 1.00 0.00 C ATOM 805 C HIS A 51 -2.453 6.336 8.553 1.00 0.00 C ATOM 806 O HIS A 51 -2.611 6.485 9.768 1.00 0.00 O ATOM 807 CB HIS A 51 -3.242 4.083 7.795 1.00 0.00 C ATOM 808 CG HIS A 51 -3.983 3.736 9.053 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.208 4.292 9.320 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.659 2.883 10.055 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.604 3.771 10.463 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.700 2.910 10.949 1.00 0.00 N ATOM 0 H HIS A 51 -1.357 4.103 9.750 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.576 5.142 6.997 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.935 4.565 7.106 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.912 3.159 7.321 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.756 2.296 10.135 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.540 4.008 10.947 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.772 2.377 11.816 1.00 0.00 H new ATOM 820 N SER A 52 -2.593 7.319 7.685 1.00 0.00 N ATOM 821 CA SER A 52 -3.121 8.607 8.097 1.00 0.00 C ATOM 822 C SER A 52 -4.639 8.510 8.216 1.00 0.00 C ATOM 823 O SER A 52 -5.223 7.504 7.806 1.00 0.00 O ATOM 824 CB SER A 52 -2.723 9.699 7.100 1.00 0.00 C ATOM 825 OG SER A 52 -3.041 10.988 7.597 1.00 0.00 O ATOM 0 H SER A 52 -2.351 7.253 6.696 1.00 0.00 H new ATOM 0 HA SER A 52 -2.701 8.876 9.066 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.654 9.638 6.898 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.237 9.535 6.153 1.00 0.00 H new ATOM 0 HG SER A 52 -2.775 11.666 6.942 1.00 0.00 H new ATOM 831 N ASP A 53 -5.268 9.541 8.774 1.00 0.00 N ATOM 832 CA ASP A 53 -6.715 9.541 8.970 1.00 0.00 C ATOM 833 C ASP A 53 -7.431 9.202 7.669 1.00 0.00 C ATOM 834 O ASP A 53 -7.138 9.800 6.632 1.00 0.00 O ATOM 835 CB ASP A 53 -7.194 10.892 9.499 1.00 0.00 C ATOM 836 CG ASP A 53 -8.688 10.908 9.749 1.00 0.00 C ATOM 837 OD1 ASP A 53 -9.411 11.620 9.023 1.00 0.00 O ATOM 838 OD2 ASP A 53 -9.149 10.199 10.667 1.00 0.00 O ATOM 0 H ASP A 53 -4.799 10.387 9.098 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.954 8.778 9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.669 11.125 10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.938 11.673 8.783 1.00 0.00 H new ATOM 843 N LEU A 54 -8.358 8.242 7.769 1.00 0.00 N ATOM 844 CA LEU A 54 -9.032 7.608 6.624 1.00 0.00 C ATOM 845 C LEU A 54 -9.272 8.561 5.445 1.00 0.00 C ATOM 846 O LEU A 54 -8.365 8.782 4.644 1.00 0.00 O ATOM 847 CB LEU A 54 -10.359 6.992 7.081 1.00 0.00 C ATOM 848 CG LEU A 54 -11.050 6.073 6.065 1.00 0.00 C ATOM 849 CD1 LEU A 54 -10.281 4.769 5.892 1.00 0.00 C ATOM 850 CD2 LEU A 54 -12.486 5.799 6.484 1.00 0.00 C ATOM 0 H LEU A 54 -8.669 7.874 8.668 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.359 6.833 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.180 6.424 7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.044 7.800 7.338 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.063 6.584 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.794 4.138 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.273 4.985 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.225 4.250 6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.960 5.146 5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.494 5.315 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.034 6.739 6.540 1.00 0.00 H new ATOM 862 N SER A 55 -10.494 9.098 5.345 1.00 0.00 N ATOM 863 CA SER A 55 -10.884 10.044 4.290 1.00 0.00 C ATOM 864 C SER A 55 -12.382 10.306 4.353 1.00 0.00 C ATOM 865 O SER A 55 -13.109 9.637 5.090 1.00 0.00 O ATOM 866 CB SER A 55 -10.556 9.519 2.880 1.00 0.00 C ATOM 867 OG SER A 55 -9.208 9.762 2.522 1.00 0.00 O ATOM 0 H SER A 55 -11.247 8.887 5.999 1.00 0.00 H new ATOM 0 HA SER A 55 -10.315 10.957 4.466 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.755 8.448 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.215 9.995 2.154 1.00 0.00 H new ATOM 0 HG SER A 55 -8.649 9.756 3.327 1.00 0.00 H new ATOM 873 N PHE A 56 -12.829 11.279 3.574 1.00 0.00 N ATOM 874 CA PHE A 56 -14.247 11.484 3.333 1.00 0.00 C ATOM 875 C PHE A 56 -14.431 12.122 1.965 1.00 0.00 C ATOM 876 O PHE A 56 -14.062 13.279 1.753 1.00 0.00 O ATOM 877 CB PHE A 56 -14.880 12.361 4.423 1.00 0.00 C ATOM 878 CG PHE A 56 -16.362 12.558 4.244 1.00 0.00 C ATOM 879 CD1 PHE A 56 -17.256 11.570 4.625 1.00 0.00 C ATOM 880 CD2 PHE A 56 -16.859 13.730 3.696 1.00 0.00 C ATOM 881 CE1 PHE A 56 -18.616 11.746 4.461 1.00 0.00 C ATOM 882 CE2 PHE A 56 -18.221 13.911 3.529 1.00 0.00 C ATOM 883 CZ PHE A 56 -19.100 12.917 3.913 1.00 0.00 C ATOM 0 H PHE A 56 -12.223 11.944 3.094 1.00 0.00 H new ATOM 0 HA PHE A 56 -14.751 10.518 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -14.696 11.907 5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -14.389 13.334 4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -16.885 10.652 5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -16.176 14.511 3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -19.301 10.967 4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -18.596 14.828 3.099 1.00 0.00 H new ATOM 0 HZ PHE A 56 -20.163 13.056 3.785 1.00 0.00 H new ATOM 893 N SER A 57 -14.977 11.357 1.036 1.00 0.00 N ATOM 894 CA SER A 57 -15.207 11.837 -0.311 1.00 0.00 C ATOM 895 C SER A 57 -16.661 11.615 -0.722 1.00 0.00 C ATOM 896 O SER A 57 -17.202 10.518 -0.588 1.00 0.00 O ATOM 897 CB SER A 57 -14.247 11.131 -1.269 1.00 0.00 C ATOM 898 OG SER A 57 -14.114 9.759 -0.936 1.00 0.00 O ATOM 0 H SER A 57 -15.271 10.393 1.194 1.00 0.00 H new ATOM 0 HA SER A 57 -15.018 12.910 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.612 11.227 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.271 11.614 -1.233 1.00 0.00 H new ATOM 0 HG SER A 57 -14.721 9.227 -1.492 1.00 0.00 H new ATOM 904 N LYS A 58 -17.284 12.681 -1.207 1.00 0.00 N ATOM 905 CA LYS A 58 -18.686 12.647 -1.605 1.00 0.00 C ATOM 906 C LYS A 58 -18.890 11.872 -2.909 1.00 0.00 C ATOM 907 O LYS A 58 -19.700 10.949 -2.967 1.00 0.00 O ATOM 908 CB LYS A 58 -19.209 14.075 -1.761 1.00 0.00 C ATOM 909 CG LYS A 58 -20.702 14.154 -2.023 1.00 0.00 C ATOM 910 CD LYS A 58 -21.137 15.594 -2.247 1.00 0.00 C ATOM 911 CE LYS A 58 -22.648 15.730 -2.335 1.00 0.00 C ATOM 912 NZ LYS A 58 -23.317 15.305 -1.077 1.00 0.00 N ATOM 0 H LYS A 58 -16.836 13.588 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 58 -19.244 12.130 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.978 14.638 -0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.679 14.559 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.954 13.553 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -21.247 13.732 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.765 16.215 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.686 15.969 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.907 16.766 -2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -23.019 15.128 -3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -24.284 15.686 -1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -23.353 14.266 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -22.782 15.665 -0.261 1.00 0.00 H new ATOM 926 N ASP A 59 -18.151 12.242 -3.948 1.00 0.00 N ATOM 927 CA ASP A 59 -18.335 11.643 -5.266 1.00 0.00 C ATOM 928 C ASP A 59 -17.304 10.560 -5.497 1.00 0.00 C ATOM 929 O ASP A 59 -17.515 9.629 -6.278 1.00 0.00 O ATOM 930 CB ASP A 59 -18.207 12.696 -6.369 1.00 0.00 C ATOM 931 CG ASP A 59 -19.264 13.773 -6.286 1.00 0.00 C ATOM 932 OD1 ASP A 59 -19.005 14.811 -5.649 1.00 0.00 O ATOM 933 OD2 ASP A 59 -20.351 13.594 -6.874 1.00 0.00 O ATOM 0 H ASP A 59 -17.420 12.952 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.336 11.213 -5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.221 13.157 -6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.272 12.206 -7.340 1.00 0.00 H new ATOM 938 N TRP A 60 -16.185 10.695 -4.812 1.00 0.00 N ATOM 939 CA TRP A 60 -15.063 9.797 -4.999 1.00 0.00 C ATOM 940 C TRP A 60 -15.150 8.629 -4.027 1.00 0.00 C ATOM 941 O TRP A 60 -16.013 8.604 -3.147 1.00 0.00 O ATOM 942 CB TRP A 60 -13.747 10.547 -4.785 1.00 0.00 C ATOM 943 CG TRP A 60 -13.631 11.807 -5.590 1.00 0.00 C ATOM 944 CD1 TRP A 60 -13.100 11.938 -6.842 1.00 0.00 C ATOM 945 CD2 TRP A 60 -14.049 13.118 -5.191 1.00 0.00 C ATOM 946 NE1 TRP A 60 -13.168 13.250 -7.246 1.00 0.00 N ATOM 947 CE2 TRP A 60 -13.743 13.993 -6.249 1.00 0.00 C ATOM 948 CE3 TRP A 60 -14.653 13.635 -4.041 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -14.020 15.356 -6.193 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -14.928 14.989 -3.982 1.00 0.00 C ATOM 951 CH2 TRP A 60 -14.610 15.840 -5.058 1.00 0.00 C ATOM 0 H TRP A 60 -16.029 11.424 -4.116 1.00 0.00 H new ATOM 0 HA TRP A 60 -15.095 9.412 -6.018 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -13.647 10.792 -3.728 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -12.918 9.887 -5.039 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.688 11.130 -7.428 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.843 13.612 -8.143 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -14.901 12.988 -3.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -13.777 16.009 -7.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -15.393 15.400 -3.098 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -14.836 16.894 -4.986 1.00 0.00 H new ATOM 962 N SER A 61 -14.263 7.662 -4.192 1.00 0.00 N ATOM 963 CA SER A 61 -14.178 6.548 -3.266 1.00 0.00 C ATOM 964 C SER A 61 -13.350 6.942 -2.049 1.00 0.00 C ATOM 965 O SER A 61 -12.365 7.672 -2.167 1.00 0.00 O ATOM 966 CB SER A 61 -13.560 5.326 -3.956 1.00 0.00 C ATOM 967 OG SER A 61 -14.440 4.796 -4.934 1.00 0.00 O ATOM 0 H SER A 61 -13.592 7.627 -4.959 1.00 0.00 H new ATOM 0 HA SER A 61 -15.184 6.288 -2.938 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.617 5.607 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.332 4.561 -3.214 1.00 0.00 H new ATOM 0 HG SER A 61 -14.024 4.019 -5.362 1.00 0.00 H new ATOM 973 N PHE A 62 -13.785 6.490 -0.884 1.00 0.00 N ATOM 974 CA PHE A 62 -13.076 6.739 0.364 1.00 0.00 C ATOM 975 C PHE A 62 -11.706 6.072 0.347 1.00 0.00 C ATOM 976 O PHE A 62 -11.600 4.847 0.333 1.00 0.00 O ATOM 977 CB PHE A 62 -13.910 6.238 1.550 1.00 0.00 C ATOM 978 CG PHE A 62 -14.893 5.162 1.177 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.224 5.474 0.954 1.00 0.00 C ATOM 980 CD2 PHE A 62 -14.486 3.846 1.030 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.130 4.496 0.594 1.00 0.00 C ATOM 982 CE2 PHE A 62 -15.387 2.863 0.674 1.00 0.00 C ATOM 983 CZ PHE A 62 -16.710 3.190 0.454 1.00 0.00 C ATOM 0 H PHE A 62 -14.638 5.941 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.925 7.813 0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.240 5.856 2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -14.450 7.078 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.558 6.495 1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -13.451 3.586 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.165 4.753 0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -15.058 1.840 0.568 1.00 0.00 H new ATOM 0 HZ PHE A 62 -17.416 2.423 0.172 1.00 0.00 H new ATOM 993 N TYR A 63 -10.662 6.888 0.331 1.00 0.00 N ATOM 994 CA TYR A 63 -9.300 6.385 0.244 1.00 0.00 C ATOM 995 C TYR A 63 -8.739 6.117 1.635 1.00 0.00 C ATOM 996 O TYR A 63 -9.146 6.753 2.607 1.00 0.00 O ATOM 997 CB TYR A 63 -8.372 7.402 -0.443 1.00 0.00 C ATOM 998 CG TYR A 63 -8.977 8.187 -1.590 1.00 0.00 C ATOM 999 CD1 TYR A 63 -8.901 7.724 -2.897 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -9.590 9.415 -1.364 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -9.417 8.462 -3.946 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.114 10.154 -2.406 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.023 9.675 -3.694 1.00 0.00 C ATOM 1004 OH TYR A 63 -10.534 10.417 -4.734 1.00 0.00 O ATOM 0 H TYR A 63 -10.733 7.904 0.377 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.339 5.465 -0.339 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.021 8.109 0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.496 6.871 -0.815 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.431 6.772 -3.097 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.657 9.797 -0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.346 8.091 -4.958 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.593 11.103 -2.212 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.927 11.244 -4.384 1.00 0.00 H new ATOM 1014 N LEU A 64 -7.818 5.173 1.732 1.00 0.00 N ATOM 1015 CA LEU A 64 -6.955 5.082 2.892 1.00 0.00 C ATOM 1016 C LEU A 64 -5.542 4.845 2.429 1.00 0.00 C ATOM 1017 O LEU A 64 -5.298 4.162 1.429 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.432 4.028 3.906 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.447 2.572 3.473 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -6.080 1.953 3.339 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -8.275 1.807 4.470 1.00 0.00 C ATOM 0 H LEU A 64 -7.651 4.461 1.021 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.995 6.026 3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.799 4.106 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.443 4.295 4.213 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.875 2.526 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.180 0.914 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.504 2.502 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.566 1.995 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.306 0.755 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.832 1.903 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.288 2.208 4.485 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.624 5.462 3.122 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.247 5.431 2.712 1.00 0.00 C ATOM 1035 C LEU A 65 -2.398 4.687 3.732 1.00 0.00 C ATOM 1036 O LEU A 65 -2.402 5.022 4.914 1.00 0.00 O ATOM 1037 CB LEU A 65 -2.733 6.862 2.547 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.650 7.094 1.489 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.350 8.585 1.378 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.377 6.329 1.814 1.00 0.00 C ATOM 0 H LEU A 65 -4.805 5.993 3.974 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.175 4.905 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.583 7.502 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.344 7.195 3.509 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.025 6.723 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.579 8.746 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.256 9.118 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.000 8.958 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.368 6.518 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.009 6.658 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.594 5.262 1.855 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.663 3.694 3.268 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.737 2.968 4.127 1.00 0.00 C ATOM 1054 C TYR A 66 0.692 3.197 3.669 1.00 0.00 C ATOM 1055 O TYR A 66 1.072 2.823 2.563 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.075 1.473 4.169 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.075 1.093 5.245 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.651 0.807 6.538 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.433 0.999 4.970 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.550 0.443 7.521 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.335 0.640 5.944 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.891 0.362 7.220 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.786 0.001 8.202 1.00 0.00 O ATOM 0 H TYR A 66 -1.687 3.369 2.301 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.837 3.351 5.143 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.471 1.174 3.198 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.156 0.908 4.326 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.600 0.871 6.778 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.787 1.212 3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.203 0.223 8.520 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.388 0.576 5.711 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.919 -0.970 8.183 1.00 0.00 H new ATOM 1073 N TYR A 67 1.475 3.841 4.520 1.00 0.00 N ATOM 1074 CA TYR A 67 2.840 4.196 4.173 1.00 0.00 C ATOM 1075 C TYR A 67 3.791 3.890 5.313 1.00 0.00 C ATOM 1076 O TYR A 67 3.371 3.648 6.444 1.00 0.00 O ATOM 1077 CB TYR A 67 2.932 5.686 3.798 1.00 0.00 C ATOM 1078 CG TYR A 67 2.564 6.646 4.918 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.518 7.079 5.833 1.00 0.00 C ATOM 1080 CD2 TYR A 67 1.266 7.128 5.050 1.00 0.00 C ATOM 1081 CE1 TYR A 67 3.189 7.960 6.846 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.932 8.011 6.061 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.895 8.422 6.954 1.00 0.00 C ATOM 1084 OH TYR A 67 1.558 9.297 7.961 1.00 0.00 O ATOM 0 H TYR A 67 1.188 4.128 5.456 1.00 0.00 H new ATOM 0 HA TYR A 67 3.131 3.595 3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.949 5.903 3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.277 5.874 2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.533 6.721 5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.507 6.808 4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.942 8.285 7.549 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.080 8.376 6.149 1.00 0.00 H new ATOM 0 HH TYR A 67 0.607 9.524 7.893 1.00 0.00 H new ATOM 1094 N THR A 68 5.073 3.891 5.001 1.00 0.00 N ATOM 1095 CA THR A 68 6.101 3.701 6.006 1.00 0.00 C ATOM 1096 C THR A 68 7.399 4.364 5.553 1.00 0.00 C ATOM 1097 O THR A 68 7.683 4.443 4.351 1.00 0.00 O ATOM 1098 CB THR A 68 6.337 2.197 6.287 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.217 2.032 7.404 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.917 1.481 5.071 1.00 0.00 C ATOM 0 H THR A 68 5.429 4.022 4.054 1.00 0.00 H new ATOM 0 HA THR A 68 5.764 4.166 6.932 1.00 0.00 H new ATOM 0 HB THR A 68 5.368 1.752 6.515 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.357 1.077 7.572 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.069 0.428 5.307 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.226 1.569 4.233 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.872 1.934 4.803 1.00 0.00 H new ATOM 1108 N GLU A 69 8.150 4.887 6.510 1.00 0.00 N ATOM 1109 CA GLU A 69 9.469 5.428 6.237 1.00 0.00 C ATOM 1110 C GLU A 69 10.453 4.276 6.128 1.00 0.00 C ATOM 1111 O GLU A 69 10.499 3.406 6.999 1.00 0.00 O ATOM 1112 CB GLU A 69 9.879 6.406 7.353 1.00 0.00 C ATOM 1113 CG GLU A 69 11.261 7.028 7.192 1.00 0.00 C ATOM 1114 CD GLU A 69 12.328 6.267 7.953 1.00 0.00 C ATOM 1115 OE1 GLU A 69 13.177 5.610 7.315 1.00 0.00 O ATOM 1116 OE2 GLU A 69 12.311 6.311 9.202 1.00 0.00 O ATOM 0 H GLU A 69 7.865 4.947 7.487 1.00 0.00 H new ATOM 0 HA GLU A 69 9.463 5.981 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.141 7.207 7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.843 5.880 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.523 7.056 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.235 8.060 7.542 1.00 0.00 H new ATOM 1123 N PHE A 70 11.221 4.262 5.056 1.00 0.00 N ATOM 1124 CA PHE A 70 12.133 3.166 4.796 1.00 0.00 C ATOM 1125 C PHE A 70 13.412 3.691 4.159 1.00 0.00 C ATOM 1126 O PHE A 70 13.438 4.800 3.625 1.00 0.00 O ATOM 1127 CB PHE A 70 11.465 2.083 3.918 1.00 0.00 C ATOM 1128 CG PHE A 70 11.109 2.507 2.510 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.862 3.831 2.194 1.00 0.00 C ATOM 1130 CD2 PHE A 70 11.020 1.562 1.501 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.540 4.208 0.902 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.695 1.928 0.207 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.455 3.254 -0.094 1.00 0.00 C ATOM 0 H PHE A 70 11.231 4.998 4.350 1.00 0.00 H new ATOM 0 HA PHE A 70 12.393 2.695 5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.134 1.224 3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.556 1.747 4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.921 4.582 2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.207 0.523 1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.355 5.247 0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.629 1.177 -0.567 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.202 3.544 -1.103 1.00 0.00 H new ATOM 1143 N THR A 71 14.471 2.913 4.247 1.00 0.00 N ATOM 1144 CA THR A 71 15.710 3.228 3.566 1.00 0.00 C ATOM 1145 C THR A 71 16.034 2.127 2.554 1.00 0.00 C ATOM 1146 O THR A 71 16.744 1.173 2.873 1.00 0.00 O ATOM 1147 CB THR A 71 16.869 3.394 4.572 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.499 4.364 5.564 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.148 3.847 3.877 1.00 0.00 C ATOM 0 H THR A 71 14.498 2.049 4.789 1.00 0.00 H new ATOM 0 HA THR A 71 15.588 4.175 3.040 1.00 0.00 H new ATOM 0 HB THR A 71 17.058 2.427 5.038 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.232 4.471 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.944 3.954 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.440 3.106 3.133 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.976 4.805 3.387 1.00 0.00 H new ATOM 1157 N PRO A 72 15.466 2.230 1.331 1.00 0.00 N ATOM 1158 CA PRO A 72 15.659 1.235 0.268 1.00 0.00 C ATOM 1159 C PRO A 72 17.120 0.910 0.010 1.00 0.00 C ATOM 1160 O PRO A 72 18.001 1.761 0.161 1.00 0.00 O ATOM 1161 CB PRO A 72 15.051 1.900 -0.984 1.00 0.00 C ATOM 1162 CG PRO A 72 14.743 3.313 -0.598 1.00 0.00 C ATOM 1163 CD PRO A 72 14.579 3.317 0.895 1.00 0.00 C ATOM 0 HA PRO A 72 15.196 0.287 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.750 1.868 -1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.149 1.378 -1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.547 3.983 -0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.835 3.661 -1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.870 4.273 1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.545 3.135 1.187 1.00 0.00 H new ATOM 1171 N THR A 73 17.355 -0.326 -0.404 1.00 0.00 N ATOM 1172 CA THR A 73 18.672 -0.796 -0.755 1.00 0.00 C ATOM 1173 C THR A 73 18.555 -1.655 -2.009 1.00 0.00 C ATOM 1174 O THR A 73 17.448 -1.926 -2.478 1.00 0.00 O ATOM 1175 CB THR A 73 19.342 -1.618 0.379 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.702 -2.889 0.514 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.273 -0.880 1.712 1.00 0.00 C ATOM 0 H THR A 73 16.625 -1.032 -0.504 1.00 0.00 H new ATOM 0 HA THR A 73 19.306 0.074 -0.927 1.00 0.00 H new ATOM 0 HB THR A 73 20.389 -1.759 0.109 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.835 -2.869 0.057 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.750 -1.481 2.486 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.789 0.076 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.230 -0.707 1.979 1.00 0.00 H new ATOM 1185 N GLU A 74 19.673 -2.053 -2.570 1.00 0.00 N ATOM 1186 CA GLU A 74 19.664 -2.899 -3.741 1.00 0.00 C ATOM 1187 C GLU A 74 19.176 -4.307 -3.388 1.00 0.00 C ATOM 1188 O GLU A 74 18.486 -4.958 -4.175 1.00 0.00 O ATOM 1189 CB GLU A 74 21.088 -2.952 -4.309 1.00 0.00 C ATOM 1190 CG GLU A 74 21.208 -3.298 -5.773 1.00 0.00 C ATOM 1191 CD GLU A 74 22.340 -2.548 -6.434 1.00 0.00 C ATOM 1192 OE1 GLU A 74 23.401 -3.159 -6.664 1.00 0.00 O ATOM 1193 OE2 GLU A 74 22.187 -1.335 -6.696 1.00 0.00 O ATOM 0 H GLU A 74 20.603 -1.804 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 74 18.981 -2.490 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.558 -1.982 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.659 -3.683 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.370 -4.370 -5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.272 -3.064 -6.280 1.00 0.00 H new ATOM 1200 N LYS A 75 19.520 -4.761 -2.186 1.00 0.00 N ATOM 1201 CA LYS A 75 19.330 -6.142 -1.803 1.00 0.00 C ATOM 1202 C LYS A 75 17.974 -6.399 -1.152 1.00 0.00 C ATOM 1203 O LYS A 75 17.440 -7.506 -1.255 1.00 0.00 O ATOM 1204 CB LYS A 75 20.455 -6.560 -0.851 1.00 0.00 C ATOM 1205 CG LYS A 75 21.842 -6.512 -1.485 1.00 0.00 C ATOM 1206 CD LYS A 75 22.740 -5.476 -0.828 1.00 0.00 C ATOM 1207 CE LYS A 75 24.091 -5.402 -1.523 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.901 -4.242 -1.068 1.00 0.00 N ATOM 0 H LYS A 75 19.936 -4.179 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 75 19.357 -6.740 -2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.441 -5.908 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.262 -7.572 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.308 -7.494 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.746 -6.286 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.257 -4.499 -0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.882 -5.727 0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.643 -6.323 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.939 -5.335 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.811 -4.236 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.388 -3.360 -1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.071 -4.317 -0.045 1.00 0.00 H new ATOM 1222 N ASP A 76 17.409 -5.401 -0.485 1.00 0.00 N ATOM 1223 CA ASP A 76 16.149 -5.611 0.223 1.00 0.00 C ATOM 1224 C ASP A 76 14.966 -5.339 -0.704 1.00 0.00 C ATOM 1225 O ASP A 76 15.147 -4.858 -1.822 1.00 0.00 O ATOM 1226 CB ASP A 76 16.070 -4.758 1.504 1.00 0.00 C ATOM 1227 CG ASP A 76 15.857 -3.280 1.264 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.148 -2.794 0.157 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.423 -2.597 2.209 1.00 0.00 O ATOM 0 H ASP A 76 17.791 -4.458 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 76 16.105 -6.655 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.256 -5.133 2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.991 -4.892 2.071 1.00 0.00 H new ATOM 1234 N GLU A 77 13.756 -5.672 -0.260 1.00 0.00 N ATOM 1235 CA GLU A 77 12.589 -5.576 -1.121 1.00 0.00 C ATOM 1236 C GLU A 77 11.339 -5.418 -0.272 1.00 0.00 C ATOM 1237 O GLU A 77 11.231 -6.021 0.791 1.00 0.00 O ATOM 1238 CB GLU A 77 12.509 -6.843 -1.989 1.00 0.00 C ATOM 1239 CG GLU A 77 11.231 -7.031 -2.821 1.00 0.00 C ATOM 1240 CD GLU A 77 11.492 -7.884 -4.045 1.00 0.00 C ATOM 1241 OE1 GLU A 77 11.465 -9.122 -3.927 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.741 -7.319 -5.131 1.00 0.00 O ATOM 0 H GLU A 77 13.563 -6.008 0.684 1.00 0.00 H new ATOM 0 HA GLU A 77 12.669 -4.705 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.361 -6.844 -2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.621 -7.709 -1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.460 -7.498 -2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.848 -6.058 -3.128 1.00 0.00 H new ATOM 1249 N TYR A 78 10.413 -4.604 -0.739 1.00 0.00 N ATOM 1250 CA TYR A 78 9.186 -4.333 -0.020 1.00 0.00 C ATOM 1251 C TYR A 78 7.988 -4.682 -0.890 1.00 0.00 C ATOM 1252 O TYR A 78 8.082 -4.688 -2.120 1.00 0.00 O ATOM 1253 CB TYR A 78 9.106 -2.858 0.393 1.00 0.00 C ATOM 1254 CG TYR A 78 10.369 -2.300 1.016 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.468 -2.141 2.391 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.453 -1.917 0.234 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.608 -1.618 2.969 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.597 -1.400 0.807 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.668 -1.252 2.173 1.00 0.00 C ATOM 1260 OH TYR A 78 13.799 -0.721 2.746 1.00 0.00 O ATOM 0 H TYR A 78 10.491 -4.112 -1.629 1.00 0.00 H new ATOM 0 HA TYR A 78 9.177 -4.947 0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.858 -2.263 -0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.286 -2.738 1.101 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.639 -2.431 3.020 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.399 -2.026 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.667 -1.497 4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.433 -1.113 0.186 1.00 0.00 H new ATOM 0 HH TYR A 78 14.465 -1.429 2.871 1.00 0.00 H new ATOM 1270 N ALA A 79 6.868 -4.980 -0.257 1.00 0.00 N ATOM 1271 CA ALA A 79 5.655 -5.353 -0.989 1.00 0.00 C ATOM 1272 C ALA A 79 4.403 -4.791 -0.320 1.00 0.00 C ATOM 1273 O ALA A 79 4.461 -4.327 0.807 1.00 0.00 O ATOM 1274 CB ALA A 79 5.575 -6.867 -1.134 1.00 0.00 C ATOM 0 H ALA A 79 6.765 -4.973 0.758 1.00 0.00 H new ATOM 0 HA ALA A 79 5.708 -4.914 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.670 -7.133 -1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.447 -7.227 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.551 -7.326 -0.146 1.00 0.00 H new ATOM 1280 N CYS A 80 3.297 -4.766 -1.043 1.00 0.00 N ATOM 1281 CA CYS A 80 2.019 -4.317 -0.498 1.00 0.00 C ATOM 1282 C CYS A 80 1.019 -5.474 -0.462 1.00 0.00 C ATOM 1283 O CYS A 80 0.870 -6.199 -1.445 1.00 0.00 O ATOM 1284 CB CYS A 80 1.452 -3.180 -1.354 1.00 0.00 C ATOM 1285 SG CYS A 80 1.902 -1.508 -0.788 1.00 0.00 S ATOM 0 H CYS A 80 3.255 -5.054 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 80 2.185 -3.957 0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.798 -3.308 -2.380 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.365 -3.263 -1.372 1.00 0.00 H new ATOM 1290 N ARG A 81 0.347 -5.650 0.669 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.678 -6.688 0.823 1.00 0.00 C ATOM 1292 C ARG A 81 -2.020 -6.048 1.157 1.00 0.00 C ATOM 1293 O ARG A 81 -2.074 -5.111 1.944 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.313 -7.633 1.965 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.105 -8.932 1.971 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.721 -9.818 3.155 1.00 0.00 C ATOM 1297 NE ARG A 81 0.552 -10.511 2.948 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.057 -11.396 3.807 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.433 -11.634 4.954 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.186 -12.038 3.523 1.00 0.00 N ATOM 0 H ARG A 81 0.492 -5.083 1.504 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.740 -7.241 -0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.750 -7.868 1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.471 -7.119 2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.171 -8.709 2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.929 -9.471 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.656 -9.207 4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.508 -10.553 3.325 1.00 0.00 H new ATOM 0 HE ARG A 81 1.081 -10.305 2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.431 -11.140 5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.818 -12.311 5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.670 -11.854 2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.568 -12.714 4.184 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.105 -6.542 0.569 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.439 -6.086 0.961 1.00 0.00 C ATOM 1316 C VAL A 82 -5.376 -7.263 1.142 1.00 0.00 C ATOM 1317 O VAL A 82 -5.279 -8.273 0.443 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.071 -5.092 -0.036 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.030 -4.146 -0.562 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.787 -5.800 -1.171 1.00 0.00 C ATOM 0 H VAL A 82 -3.092 -7.246 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.301 -5.558 1.905 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.824 -4.518 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.491 -3.451 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.593 -3.588 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.249 -4.711 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.216 -5.061 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.078 -6.423 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.582 -6.426 -0.766 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.256 -7.132 2.107 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.246 -8.155 2.389 1.00 0.00 C ATOM 1332 C ASN A 83 -8.650 -7.592 2.233 1.00 0.00 C ATOM 1333 O ASN A 83 -8.987 -6.587 2.860 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.080 -8.680 3.825 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.662 -9.120 4.159 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.347 -10.306 4.154 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.795 -8.161 4.439 1.00 0.00 N ATOM 0 H ASN A 83 -6.309 -6.318 2.719 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.098 -8.971 1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.382 -7.900 4.524 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.756 -9.522 3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.828 -8.397 4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.094 -7.186 4.433 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.464 -8.219 1.392 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.854 -7.852 1.268 1.00 0.00 C ATOM 1346 C HIS A 84 -11.645 -9.102 0.920 1.00 0.00 C ATOM 1347 O HIS A 84 -11.059 -10.115 0.536 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.018 -6.787 0.184 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.248 -5.953 0.344 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.336 -6.131 -0.472 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.506 -4.946 1.221 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.227 -5.238 -0.083 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.767 -4.500 0.936 1.00 0.00 N ATOM 0 H HIS A 84 -9.175 -8.987 0.786 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.223 -7.434 2.205 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.144 -6.135 0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.044 -7.274 -0.791 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.846 -4.573 1.990 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.203 -5.118 -0.530 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.264 -3.746 1.411 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.959 -9.046 1.069 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.807 -10.199 0.801 1.00 0.00 C ATOM 1363 C VAL A 85 -13.857 -10.525 -0.691 1.00 0.00 C ATOM 1364 O VAL A 85 -14.160 -11.653 -1.076 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.244 -9.978 1.326 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.232 -9.696 2.818 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.936 -8.848 0.574 1.00 0.00 C ATOM 0 H VAL A 85 -13.463 -8.214 1.375 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.363 -11.042 1.330 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.808 -10.894 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.253 -9.543 3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.791 -10.542 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.644 -8.800 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.945 -8.715 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.372 -7.925 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.987 -9.094 -0.487 1.00 0.00 H new ATOM 1377 N THR A 86 -13.562 -9.538 -1.528 1.00 0.00 N ATOM 1378 CA THR A 86 -13.662 -9.708 -2.968 1.00 0.00 C ATOM 1379 C THR A 86 -12.525 -10.557 -3.513 1.00 0.00 C ATOM 1380 O THR A 86 -12.723 -11.406 -4.386 1.00 0.00 O ATOM 1381 CB THR A 86 -13.628 -8.344 -3.662 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.441 -7.648 -3.279 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.829 -7.507 -3.285 1.00 0.00 C ATOM 0 H THR A 86 -13.252 -8.612 -1.232 1.00 0.00 H new ATOM 0 HA THR A 86 -14.606 -10.214 -3.169 1.00 0.00 H new ATOM 0 HB THR A 86 -13.644 -8.510 -4.739 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.594 -7.184 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.776 -6.545 -3.794 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.741 -8.025 -3.582 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.837 -7.347 -2.207 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.333 -10.308 -3.000 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.155 -11.014 -3.444 1.00 0.00 C ATOM 1393 C LEU A 87 -10.181 -12.424 -2.879 1.00 0.00 C ATOM 1394 O LEU A 87 -10.254 -12.610 -1.663 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.882 -10.278 -2.996 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.677 -8.892 -3.616 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.322 -8.311 -3.218 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.810 -8.968 -5.130 1.00 0.00 C ATOM 0 H LEU A 87 -11.160 -9.616 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.149 -11.059 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.905 -10.173 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.019 -10.898 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.450 -8.226 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.201 -7.327 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.270 -8.220 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.527 -8.971 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.662 -7.977 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.059 -9.651 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.804 -9.331 -5.390 1.00 0.00 H new ATOM 1410 N SER A 88 -10.151 -13.408 -3.772 1.00 0.00 N ATOM 1411 CA SER A 88 -10.173 -14.810 -3.380 1.00 0.00 C ATOM 1412 C SER A 88 -9.020 -15.110 -2.436 1.00 0.00 C ATOM 1413 O SER A 88 -9.121 -15.965 -1.557 1.00 0.00 O ATOM 1414 CB SER A 88 -10.098 -15.700 -4.621 1.00 0.00 C ATOM 1415 OG SER A 88 -9.031 -15.302 -5.469 1.00 0.00 O ATOM 0 H SER A 88 -10.111 -13.257 -4.780 1.00 0.00 H new ATOM 0 HA SER A 88 -11.107 -15.018 -2.858 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.960 -16.739 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.040 -15.649 -5.167 1.00 0.00 H new ATOM 0 HG SER A 88 -9.002 -15.887 -6.255 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.927 -14.387 -2.634 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.776 -14.431 -1.763 1.00 0.00 C ATOM 1423 C GLN A 89 -6.322 -12.993 -1.572 1.00 0.00 C ATOM 1424 O GLN A 89 -6.378 -12.220 -2.530 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.626 -15.211 -2.413 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.045 -16.511 -3.080 1.00 0.00 C ATOM 1427 CD GLN A 89 -6.443 -17.591 -2.097 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -5.947 -17.643 -0.974 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -7.337 -18.470 -2.523 1.00 0.00 N ATOM 0 H GLN A 89 -7.820 -13.745 -3.419 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.038 -14.919 -0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.146 -14.574 -3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.878 -15.432 -1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.882 -16.314 -3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.223 -16.876 -3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.723 -18.389 -3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.639 -19.228 -1.911 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.918 -12.585 -0.359 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.272 -11.286 -0.160 1.00 0.00 C ATOM 1440 C PRO A 90 -4.212 -11.023 -1.209 1.00 0.00 C ATOM 1441 O PRO A 90 -3.512 -11.938 -1.652 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.652 -11.432 1.217 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.640 -12.273 1.936 1.00 0.00 C ATOM 1444 CD PRO A 90 -6.097 -13.304 0.920 1.00 0.00 C ATOM 0 HA PRO A 90 -5.963 -10.447 -0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.673 -11.909 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.514 -10.466 1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.191 -12.750 2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.478 -11.676 2.296 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.496 -14.212 0.964 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.134 -13.600 1.079 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.065 -9.771 -1.578 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.319 -9.441 -2.761 1.00 0.00 C ATOM 1454 C LYS A 91 -1.983 -8.841 -2.399 1.00 0.00 C ATOM 1455 O LYS A 91 -1.914 -7.872 -1.645 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.095 -8.470 -3.629 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.453 -8.272 -4.981 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.491 -9.551 -5.793 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.911 -10.030 -6.060 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.931 -11.221 -6.953 1.00 0.00 N ATOM 0 H LYS A 91 -4.451 -8.971 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.153 -10.362 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.112 -8.838 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.168 -7.509 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.971 -7.479 -5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.420 -7.949 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.981 -9.390 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.942 -10.330 -5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.396 -10.275 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.488 -9.224 -6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.915 -11.519 -7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.490 -10.980 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.402 -11.998 -6.508 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.929 -9.425 -2.926 1.00 0.00 N ATOM 1475 CA ILE A 92 0.406 -8.904 -2.720 1.00 0.00 C ATOM 1476 C ILE A 92 0.958 -8.371 -4.026 1.00 0.00 C ATOM 1477 O ILE A 92 0.969 -9.063 -5.044 1.00 0.00 O ATOM 1478 CB ILE A 92 1.399 -9.955 -2.167 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.009 -10.419 -0.757 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.818 -9.398 -2.160 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -0.120 -11.423 -0.719 1.00 0.00 C ATOM 0 H ILE A 92 -0.971 -10.265 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 92 0.310 -8.114 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 92 1.358 -10.821 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.884 -10.857 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.724 -9.548 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.502 -10.150 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.111 -9.135 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.857 -8.509 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.330 -11.696 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.012 -10.985 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.166 -12.314 -1.278 1.00 0.00 H new ATOM 1493 N VAL A 93 1.399 -7.140 -3.987 1.00 0.00 N ATOM 1494 CA VAL A 93 2.059 -6.526 -5.108 1.00 0.00 C ATOM 1495 C VAL A 93 3.386 -5.969 -4.637 1.00 0.00 C ATOM 1496 O VAL A 93 3.447 -5.224 -3.660 1.00 0.00 O ATOM 1497 CB VAL A 93 1.201 -5.408 -5.743 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.969 -4.686 -6.838 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.089 -5.988 -6.301 1.00 0.00 C ATOM 0 H VAL A 93 1.309 -6.533 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 93 2.215 -7.280 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 93 0.957 -4.684 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.342 -3.905 -7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.869 -4.238 -6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.248 -5.397 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.684 -5.190 -6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.146 -6.732 -7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.655 -6.458 -5.496 1.00 0.00 H new ATOM 1509 N LYS A 94 4.441 -6.353 -5.316 1.00 0.00 N ATOM 1510 CA LYS A 94 5.765 -5.912 -4.941 1.00 0.00 C ATOM 1511 C LYS A 94 5.991 -4.495 -5.432 1.00 0.00 C ATOM 1512 O LYS A 94 5.449 -4.095 -6.461 1.00 0.00 O ATOM 1513 CB LYS A 94 6.833 -6.834 -5.500 1.00 0.00 C ATOM 1514 CG LYS A 94 6.963 -8.162 -4.775 1.00 0.00 C ATOM 1515 CD LYS A 94 8.161 -8.927 -5.308 1.00 0.00 C ATOM 1516 CE LYS A 94 8.675 -9.966 -4.325 1.00 0.00 C ATOM 1517 NZ LYS A 94 7.693 -11.054 -4.078 1.00 0.00 N ATOM 0 H LYS A 94 4.410 -6.968 -6.129 1.00 0.00 H new ATOM 0 HA LYS A 94 5.838 -5.937 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.614 -7.028 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.793 -6.320 -5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.076 -7.992 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.055 -8.750 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.887 -9.419 -6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.962 -8.225 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.600 -10.397 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.917 -9.479 -3.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.093 -11.735 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.818 -10.650 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.480 -11.539 -4.973 1.00 0.00 H new ATOM 1531 N TRP A 95 6.753 -3.735 -4.669 1.00 0.00 N ATOM 1532 CA TRP A 95 7.055 -2.364 -5.030 1.00 0.00 C ATOM 1533 C TRP A 95 7.939 -2.323 -6.274 1.00 0.00 C ATOM 1534 O TRP A 95 9.145 -2.570 -6.214 1.00 0.00 O ATOM 1535 CB TRP A 95 7.714 -1.632 -3.848 1.00 0.00 C ATOM 1536 CG TRP A 95 8.136 -0.236 -4.171 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.328 0.800 -4.534 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.470 0.280 -4.145 1.00 0.00 C ATOM 1539 NE1 TRP A 95 8.078 1.927 -4.750 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.396 1.635 -4.514 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.717 -0.274 -3.847 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.524 2.444 -4.595 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.838 0.527 -3.926 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.734 1.879 -4.298 1.00 0.00 C ATOM 0 H TRP A 95 7.175 -4.045 -3.794 1.00 0.00 H new ATOM 0 HA TRP A 95 6.124 -1.848 -5.266 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.016 -1.607 -3.011 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.585 -2.199 -3.520 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.254 0.742 -4.636 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.714 2.835 -5.039 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.803 -1.312 -3.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.448 3.482 -4.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.808 0.110 -3.699 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.627 2.484 -4.350 1.00 0.00 H new ATOM 1555 N ASP A 96 7.319 -2.003 -7.400 1.00 0.00 N ATOM 1556 CA ASP A 96 8.036 -1.922 -8.664 1.00 0.00 C ATOM 1557 C ASP A 96 8.451 -0.491 -8.916 1.00 0.00 C ATOM 1558 O ASP A 96 7.611 0.400 -9.054 1.00 0.00 O ATOM 1559 CB ASP A 96 7.217 -2.436 -9.862 1.00 0.00 C ATOM 1560 CG ASP A 96 6.776 -3.885 -9.724 1.00 0.00 C ATOM 1561 OD1 ASP A 96 5.576 -4.131 -9.484 1.00 0.00 O ATOM 1562 OD2 ASP A 96 7.620 -4.788 -9.894 1.00 0.00 O ATOM 0 H ASP A 96 6.322 -1.795 -7.465 1.00 0.00 H new ATOM 0 HA ASP A 96 8.908 -2.570 -8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.335 -1.807 -9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.812 -2.331 -10.769 1.00 0.00 H new ATOM 1567 N ARG A 97 9.753 -0.279 -8.963 1.00 0.00 N ATOM 1568 CA ARG A 97 10.296 1.037 -9.222 1.00 0.00 C ATOM 1569 C ARG A 97 10.354 1.262 -10.728 1.00 0.00 C ATOM 1570 O ARG A 97 10.034 2.342 -11.221 1.00 0.00 O ATOM 1571 CB ARG A 97 11.683 1.181 -8.566 1.00 0.00 C ATOM 1572 CG ARG A 97 12.770 0.271 -9.137 1.00 0.00 C ATOM 1573 CD ARG A 97 13.810 1.047 -9.940 1.00 0.00 C ATOM 1574 NE ARG A 97 14.654 1.896 -9.094 1.00 0.00 N ATOM 1575 CZ ARG A 97 14.985 3.154 -9.390 1.00 0.00 C ATOM 1576 NH1 ARG A 97 14.472 3.754 -10.459 1.00 0.00 N ATOM 1577 NH2 ARG A 97 15.824 3.817 -8.606 1.00 0.00 N ATOM 0 H ARG A 97 10.455 -1.006 -8.824 1.00 0.00 H new ATOM 0 HA ARG A 97 9.653 1.800 -8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.009 2.216 -8.666 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.586 0.979 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.264 -0.258 -8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.311 -0.484 -9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.439 0.345 -10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.304 1.666 -10.681 1.00 0.00 H new ATOM 0 HE ARG A 97 15.011 1.500 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.819 3.252 -11.061 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.731 4.716 -10.677 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.214 3.365 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.079 4.779 -8.830 1.00 0.00 H new ATOM 1591 N ASP A 98 10.728 0.202 -11.441 1.00 0.00 N ATOM 1592 CA ASP A 98 10.811 0.209 -12.906 1.00 0.00 C ATOM 1593 C ASP A 98 10.706 -1.209 -13.444 1.00 0.00 C ATOM 1594 O ASP A 98 10.849 -1.441 -14.642 1.00 0.00 O ATOM 1595 CB ASP A 98 12.140 0.786 -13.376 1.00 0.00 C ATOM 1596 CG ASP A 98 12.221 2.292 -13.254 1.00 0.00 C ATOM 1597 OD1 ASP A 98 12.903 2.779 -12.333 1.00 0.00 O ATOM 1598 OD2 ASP A 98 11.612 2.993 -14.085 1.00 0.00 O ATOM 0 H ASP A 98 10.984 -0.691 -11.020 1.00 0.00 H new ATOM 0 HA ASP A 98 9.990 0.823 -13.275 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.947 0.338 -12.796 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.302 0.504 -14.417 1.00 0.00 H new ATOM 1603 N MET A 99 10.513 -2.151 -12.531 1.00 0.00 N ATOM 1604 CA MET A 99 10.482 -3.575 -12.863 1.00 0.00 C ATOM 1605 C MET A 99 9.511 -3.855 -14.005 1.00 0.00 C ATOM 1606 CB MET A 99 10.080 -4.411 -11.645 1.00 0.00 C ATOM 1607 CG MET A 99 10.829 -4.065 -10.366 1.00 0.00 C ATOM 1608 SD MET A 99 12.621 -4.141 -10.550 1.00 0.00 S ATOM 1609 CE MET A 99 13.141 -3.827 -8.864 1.00 0.00 C ATOM 0 H MET A 99 10.373 -1.954 -11.540 1.00 0.00 H new ATOM 0 HA MET A 99 11.488 -3.854 -13.176 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.011 -4.285 -11.471 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.244 -5.464 -11.873 1.00 0.00 H new ATOM 0 HG2 MET A 99 10.545 -3.062 -10.046 1.00 0.00 H new ATOM 0 HG3 MET A 99 10.522 -4.750 -9.576 1.00 0.00 H new ATOM 0 HE1 MET A 99 14.230 -3.841 -8.810 1.00 0.00 H new ATOM 0 HE2 MET A 99 12.775 -2.851 -8.546 1.00 0.00 H new ATOM 0 HE3 MET A 99 12.735 -4.598 -8.209 1.00 0.00 H new TER 1619 MET A 99