USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 Single : A 1 VAL N :NH3+ -118:sc= -0.127 (180deg=-0.396) USER MOD Single : A 5 TYR OH : rot -74:sc= 1.25 USER MOD Single : A 8 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.14 K(o=1.1,f=-5.8!) USER MOD Single : A 12 CYS SG : rot 47:sc= 0.337 USER MOD Single : A 14 TYR OH : rot 150:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.00012) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.086 USER MOD Single : A 25 THR OG1 : rot 95:sc= 1.18 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0285) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0553) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 34 SER OG : rot 7:sc= 1.17 USER MOD Single : A 36 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-0.16) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0.162 K(o=0.16,f=-0.71) USER MOD Single : A 50 ASN : amide:sc= 0.952 K(o=0.95,f=-4.4!) USER MOD Single : A 55 ASN : amide:sc= -0.053 K(o=-0.053,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.403 12.536 5.006 1.00 0.00 N ATOM 2 CA VAL A 1 7.051 11.185 4.492 1.00 0.00 C ATOM 3 C VAL A 1 6.024 10.544 5.387 1.00 0.00 C ATOM 4 O VAL A 1 5.703 11.060 6.460 1.00 0.00 O ATOM 5 CB VAL A 1 8.289 10.286 4.354 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.236 10.884 3.291 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.000 10.054 5.706 1.00 0.00 C ATOM 0 H1 VAL A 1 7.147 13.254 4.299 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.883 12.718 5.888 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.425 12.582 5.191 1.00 0.00 H new ATOM 0 HA VAL A 1 6.628 11.306 3.495 1.00 0.00 H new ATOM 0 HB VAL A 1 7.968 9.299 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.116 10.249 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.718 10.942 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.543 11.884 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.868 9.413 5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.323 11.011 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.311 9.575 6.402 1.00 0.00 H new ATOM 19 N ARG A 2 5.483 9.384 4.952 1.00 0.00 N ATOM 20 CA ARG A 2 4.556 8.609 5.733 1.00 0.00 C ATOM 21 C ARG A 2 5.135 7.228 5.819 1.00 0.00 C ATOM 22 O ARG A 2 6.117 6.908 5.141 1.00 0.00 O ATOM 23 CB ARG A 2 3.145 8.516 5.089 1.00 0.00 C ATOM 24 CG ARG A 2 3.138 7.937 3.660 1.00 0.00 C ATOM 25 CD ARG A 2 2.756 8.941 2.562 1.00 0.00 C ATOM 26 NE ARG A 2 1.262 9.121 2.544 1.00 0.00 N ATOM 27 CZ ARG A 2 0.608 10.234 2.996 1.00 0.00 C ATOM 28 NH1 ARG A 2 1.279 11.294 3.531 1.00 0.00 N ATOM 29 NH2 ARG A 2 -0.758 10.279 2.909 1.00 0.00 N ATOM 0 H ARG A 2 5.693 8.977 4.041 1.00 0.00 H new ATOM 0 HA ARG A 2 4.424 9.086 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.509 7.897 5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.702 9.512 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.128 7.538 3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.441 7.099 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.246 9.898 2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.102 8.584 1.592 1.00 0.00 H new ATOM 0 HE ARG A 2 0.697 8.359 2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.296 11.270 3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.764 12.111 3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.270 9.491 2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.263 11.100 3.241 1.00 0.00 H new ATOM 43 N ASP A 3 4.499 6.361 6.634 1.00 0.00 N ATOM 44 CA ASP A 3 4.705 4.945 6.614 1.00 0.00 C ATOM 45 C ASP A 3 3.258 4.592 6.667 1.00 0.00 C ATOM 46 O ASP A 3 2.509 5.311 7.334 1.00 0.00 O ATOM 47 CB ASP A 3 5.396 4.339 7.864 1.00 0.00 C ATOM 48 CG ASP A 3 6.753 4.994 8.114 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.583 5.034 7.168 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.983 5.459 9.262 1.00 0.00 O ATOM 0 H ASP A 3 3.817 6.659 7.331 1.00 0.00 H new ATOM 0 HA ASP A 3 5.342 4.600 5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.758 4.473 8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.527 3.266 7.727 1.00 0.00 H new ATOM 55 N GLY A 4 2.804 3.561 5.940 1.00 0.00 N ATOM 56 CA GLY A 4 1.438 3.164 6.050 1.00 0.00 C ATOM 57 C GLY A 4 1.481 1.799 5.492 1.00 0.00 C ATOM 58 O GLY A 4 2.548 1.349 5.074 1.00 0.00 O ATOM 0 H GLY A 4 3.367 3.012 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.090 3.174 7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.774 3.818 5.484 1.00 0.00 H new ATOM 62 N TYR A 5 0.299 1.161 5.371 1.00 0.00 N ATOM 63 CA TYR A 5 0.124 0.065 4.458 1.00 0.00 C ATOM 64 C TYR A 5 -0.137 0.795 3.175 1.00 0.00 C ATOM 65 O TYR A 5 -0.868 1.783 3.194 1.00 0.00 O ATOM 66 CB TYR A 5 -1.113 -0.802 4.758 1.00 0.00 C ATOM 67 CG TYR A 5 -0.891 -1.871 5.780 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.384 -3.120 5.389 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.326 -1.694 7.105 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.392 -4.198 6.282 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.318 -2.766 8.005 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.893 -4.030 7.579 1.00 0.00 C ATOM 73 OH TYR A 5 -1.071 -5.145 8.423 1.00 0.00 O ATOM 0 H TYR A 5 -0.536 1.403 5.904 1.00 0.00 H new ATOM 0 HA TYR A 5 0.974 -0.617 4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.921 -0.154 5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.447 -1.268 3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.015 -3.250 4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.669 -0.723 7.431 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.012 -5.160 5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.639 -2.618 9.026 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.856 -5.654 8.132 1.00 0.00 H new ATOM 83 N ILE A 6 0.462 0.370 2.046 1.00 0.00 N ATOM 84 CA ILE A 6 0.352 1.091 0.808 1.00 0.00 C ATOM 85 C ILE A 6 -0.897 0.579 0.152 1.00 0.00 C ATOM 86 O ILE A 6 -1.146 -0.647 0.114 1.00 0.00 O ATOM 87 CB ILE A 6 1.587 1.104 -0.105 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.441 2.112 -1.275 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.935 -0.307 -0.593 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.660 2.210 -2.199 1.00 0.00 C ATOM 0 H ILE A 6 1.026 -0.478 1.988 1.00 0.00 H new ATOM 0 HA ILE A 6 0.290 2.157 1.025 1.00 0.00 H new ATOM 0 HB ILE A 6 2.428 1.454 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.573 1.831 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.237 3.099 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.813 -0.263 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.145 -0.947 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.094 -0.716 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.463 2.939 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.530 2.525 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.855 1.236 -2.648 1.00 0.00 H new ATOM 102 N ALA A 7 -1.675 1.604 -0.307 1.00 0.00 N ATOM 103 CA ALA A 7 -2.901 1.556 -1.062 1.00 0.00 C ATOM 104 C ALA A 7 -2.618 1.988 -2.462 1.00 0.00 C ATOM 105 O ALA A 7 -1.503 2.368 -2.800 1.00 0.00 O ATOM 106 CB ALA A 7 -4.029 2.497 -0.591 1.00 0.00 C ATOM 0 H ALA A 7 -1.404 2.570 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.242 0.528 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.900 2.372 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.300 2.255 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.686 3.530 -0.642 1.00 0.00 H new ATOM 112 N GLN A 8 -3.673 2.004 -3.299 1.00 0.00 N ATOM 113 CA GLN A 8 -3.647 2.623 -4.591 1.00 0.00 C ATOM 114 C GLN A 8 -4.231 3.976 -4.260 1.00 0.00 C ATOM 115 O GLN A 8 -5.191 3.972 -3.477 1.00 0.00 O ATOM 116 CB GLN A 8 -4.555 1.874 -5.601 1.00 0.00 C ATOM 117 CG GLN A 8 -4.141 0.395 -5.718 1.00 0.00 C ATOM 118 CD GLN A 8 -5.189 -0.424 -6.477 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.427 -0.179 -7.662 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.808 -1.427 -5.783 1.00 0.00 N ATOM 0 H GLN A 8 -4.570 1.574 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.662 2.642 -5.058 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.595 1.941 -5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.491 2.352 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.182 0.324 -6.231 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.002 -0.025 -4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.575 -1.588 -4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.503 -2.014 -6.245 1.00 0.00 H new ATOM 129 N PRO A 9 -3.711 5.115 -4.737 1.00 0.00 N ATOM 130 CA PRO A 9 -4.014 6.437 -4.195 1.00 0.00 C ATOM 131 C PRO A 9 -5.359 6.957 -4.655 1.00 0.00 C ATOM 132 O PRO A 9 -5.438 8.030 -5.252 1.00 0.00 O ATOM 133 CB PRO A 9 -2.860 7.328 -4.690 1.00 0.00 C ATOM 134 CG PRO A 9 -2.359 6.633 -5.958 1.00 0.00 C ATOM 135 CD PRO A 9 -2.535 5.156 -5.606 1.00 0.00 C ATOM 0 HA PRO A 9 -4.089 6.418 -3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.203 8.341 -4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.071 7.408 -3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.942 6.915 -6.835 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.319 6.879 -6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.683 4.551 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.654 4.763 -5.098 1.00 0.00 H new ATOM 143 N GLU A 10 -6.422 6.214 -4.315 1.00 0.00 N ATOM 144 CA GLU A 10 -7.766 6.677 -4.263 1.00 0.00 C ATOM 145 C GLU A 10 -7.977 6.435 -2.804 1.00 0.00 C ATOM 146 O GLU A 10 -7.759 7.304 -1.965 1.00 0.00 O ATOM 147 CB GLU A 10 -8.686 5.826 -5.174 1.00 0.00 C ATOM 148 CG GLU A 10 -8.421 6.028 -6.679 1.00 0.00 C ATOM 149 CD GLU A 10 -9.046 7.330 -7.184 1.00 0.00 C ATOM 150 OE1 GLU A 10 -8.581 8.425 -6.768 1.00 0.00 O ATOM 151 OE2 GLU A 10 -9.993 7.252 -8.012 1.00 0.00 O ATOM 0 H GLU A 10 -6.335 5.230 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.971 7.691 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.553 4.772 -4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.726 6.074 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.347 6.043 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.828 5.186 -7.238 1.00 0.00 H new ATOM 158 N ASN A 11 -8.316 5.189 -2.472 1.00 0.00 N ATOM 159 CA ASN A 11 -8.184 4.575 -1.199 1.00 0.00 C ATOM 160 C ASN A 11 -8.414 3.216 -1.755 1.00 0.00 C ATOM 161 O ASN A 11 -9.209 3.128 -2.689 1.00 0.00 O ATOM 162 CB ASN A 11 -9.304 4.917 -0.196 1.00 0.00 C ATOM 163 CG ASN A 11 -9.172 4.035 1.043 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.076 3.576 1.389 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.317 3.795 1.737 1.00 0.00 N ATOM 0 H ASN A 11 -8.720 4.552 -3.159 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.287 4.814 -0.628 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.244 5.968 0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.279 4.766 -0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.292 3.217 2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.200 4.193 1.417 1.00 0.00 H new ATOM 172 N CYS A 12 -7.736 2.180 -1.244 1.00 0.00 N ATOM 173 CA CYS A 12 -7.859 0.802 -1.654 1.00 0.00 C ATOM 174 C CYS A 12 -6.805 0.189 -0.797 1.00 0.00 C ATOM 175 O CYS A 12 -6.445 0.766 0.228 1.00 0.00 O ATOM 176 CB CYS A 12 -7.628 0.472 -3.171 1.00 0.00 C ATOM 177 SG CYS A 12 -9.091 0.683 -4.234 1.00 0.00 S ATOM 0 H CYS A 12 -7.055 2.302 -0.495 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.880 0.440 -1.537 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.828 1.109 -3.548 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.282 -0.558 -3.255 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.661 1.821 -3.967 1.00 0.00 H new ATOM 182 N VAL A 13 -6.281 -0.980 -1.198 1.00 0.00 N ATOM 183 CA VAL A 13 -5.037 -1.499 -0.749 1.00 0.00 C ATOM 184 C VAL A 13 -4.368 -1.588 -2.089 1.00 0.00 C ATOM 185 O VAL A 13 -5.062 -1.676 -3.105 1.00 0.00 O ATOM 186 CB VAL A 13 -5.118 -2.869 -0.092 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.492 -2.675 1.384 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.126 -3.794 -0.805 1.00 0.00 C ATOM 0 H VAL A 13 -6.750 -1.590 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.555 -0.905 0.027 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.148 -3.360 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.555 -3.647 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.731 -2.070 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.456 -2.171 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.151 -4.761 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.118 -3.343 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.822 -3.932 -1.843 1.00 0.00 H new ATOM 198 N TYR A 14 -3.013 -1.566 -2.129 1.00 0.00 N ATOM 199 CA TYR A 14 -2.266 -2.003 -3.278 1.00 0.00 C ATOM 200 C TYR A 14 -2.056 -3.399 -2.833 1.00 0.00 C ATOM 201 O TYR A 14 -1.811 -3.600 -1.648 1.00 0.00 O ATOM 202 CB TYR A 14 -0.865 -1.355 -3.485 1.00 0.00 C ATOM 203 CG TYR A 14 -0.708 -0.718 -4.840 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.065 -1.402 -6.018 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.126 0.553 -4.955 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.894 -0.805 -7.274 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.044 1.156 -6.206 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.348 0.481 -7.369 1.00 0.00 C ATOM 209 OH TYR A 14 -0.186 1.100 -8.627 1.00 0.00 O ATOM 0 H TYR A 14 -2.432 -1.242 -1.356 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.774 -1.786 -4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.701 -0.602 -2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.096 -2.116 -3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.476 -2.399 -5.953 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.196 1.074 -4.065 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.183 -1.336 -8.169 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.478 2.143 -6.275 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.261 2.072 -8.526 1.00 0.00 H new ATOM 219 N HIS A 15 -2.214 -4.390 -3.722 1.00 0.00 N ATOM 220 CA HIS A 15 -2.249 -5.748 -3.271 1.00 0.00 C ATOM 221 C HIS A 15 -0.841 -6.234 -3.184 1.00 0.00 C ATOM 222 O HIS A 15 0.121 -5.534 -3.504 1.00 0.00 O ATOM 223 CB HIS A 15 -3.110 -6.670 -4.160 1.00 0.00 C ATOM 224 CG HIS A 15 -4.571 -6.339 -4.041 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.186 -5.347 -4.759 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.499 -6.857 -3.203 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.449 -5.269 -4.366 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.665 -6.174 -3.422 1.00 0.00 N ATOM 0 H HIS A 15 -2.316 -4.261 -4.729 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.730 -5.778 -2.294 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.797 -6.572 -5.199 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.946 -7.709 -3.875 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.348 -7.658 -2.495 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.184 -4.579 -4.753 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.550 -6.334 -2.940 1.00 0.00 H new ATOM 237 N CYS A 16 -0.700 -7.469 -2.700 1.00 0.00 N ATOM 238 CA CYS A 16 0.526 -8.154 -2.546 1.00 0.00 C ATOM 239 C CYS A 16 -0.030 -9.464 -2.981 1.00 0.00 C ATOM 240 O CYS A 16 -1.249 -9.660 -2.941 1.00 0.00 O ATOM 241 CB CYS A 16 1.033 -8.201 -1.078 1.00 0.00 C ATOM 242 SG CYS A 16 2.427 -9.340 -0.809 1.00 0.00 S ATOM 0 H CYS A 16 -1.500 -8.024 -2.396 1.00 0.00 H new ATOM 0 HA CYS A 16 1.396 -7.749 -3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.334 -7.198 -0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.208 -8.494 -0.429 1.00 0.00 H new ATOM 247 N PHE A 17 0.851 -10.366 -3.432 1.00 0.00 N ATOM 248 CA PHE A 17 0.549 -11.687 -3.854 1.00 0.00 C ATOM 249 C PHE A 17 1.514 -12.362 -2.928 1.00 0.00 C ATOM 250 O PHE A 17 2.589 -11.770 -2.813 1.00 0.00 O ATOM 251 CB PHE A 17 1.009 -11.954 -5.311 1.00 0.00 C ATOM 252 CG PHE A 17 0.359 -11.047 -6.335 1.00 0.00 C ATOM 253 CD1 PHE A 17 -0.953 -10.549 -6.201 1.00 0.00 C ATOM 254 CD2 PHE A 17 1.096 -10.688 -7.480 1.00 0.00 C ATOM 255 CE1 PHE A 17 -1.506 -9.708 -7.177 1.00 0.00 C ATOM 256 CE2 PHE A 17 0.538 -9.869 -8.467 1.00 0.00 C ATOM 257 CZ PHE A 17 -0.761 -9.373 -8.312 1.00 0.00 C ATOM 0 H PHE A 17 1.846 -10.153 -3.506 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.504 -11.968 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.091 -11.834 -5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.790 -12.991 -5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.540 -10.819 -5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.107 -11.050 -7.598 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.506 -9.319 -7.052 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.110 -9.620 -9.349 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.188 -8.732 -9.069 1.00 0.00 H new ATOM 267 N PRO A 18 1.259 -13.480 -2.250 1.00 0.00 N ATOM 268 CA PRO A 18 2.157 -14.003 -1.225 1.00 0.00 C ATOM 269 C PRO A 18 3.518 -14.410 -1.743 1.00 0.00 C ATOM 270 O PRO A 18 3.681 -15.533 -2.213 1.00 0.00 O ATOM 271 CB PRO A 18 1.401 -15.220 -0.665 1.00 0.00 C ATOM 272 CG PRO A 18 -0.071 -14.817 -0.775 1.00 0.00 C ATOM 273 CD PRO A 18 -0.106 -13.990 -2.067 1.00 0.00 C ATOM 0 HA PRO A 18 2.382 -13.237 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.613 -16.122 -1.239 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.683 -15.426 0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.724 -15.687 -0.835 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.395 -14.234 0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.412 -14.602 -2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.822 -13.172 -1.989 1.00 0.00 H new ATOM 281 N GLY A 19 4.513 -13.515 -1.660 1.00 0.00 N ATOM 282 CA GLY A 19 5.825 -13.727 -2.164 1.00 0.00 C ATOM 283 C GLY A 19 6.288 -12.316 -2.130 1.00 0.00 C ATOM 284 O GLY A 19 5.563 -11.457 -1.617 1.00 0.00 O ATOM 0 H GLY A 19 4.395 -12.602 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.422 -14.386 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.832 -14.153 -3.167 1.00 0.00 H new ATOM 288 N SER A 20 7.491 -12.047 -2.671 1.00 0.00 N ATOM 289 CA SER A 20 8.078 -10.732 -2.668 1.00 0.00 C ATOM 290 C SER A 20 7.567 -9.925 -3.835 1.00 0.00 C ATOM 291 O SER A 20 7.445 -8.703 -3.757 1.00 0.00 O ATOM 292 CB SER A 20 9.618 -10.820 -2.816 1.00 0.00 C ATOM 293 OG SER A 20 10.140 -11.875 -2.008 1.00 0.00 O ATOM 0 H SER A 20 8.072 -12.755 -3.121 1.00 0.00 H new ATOM 0 HA SER A 20 7.810 -10.260 -1.723 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.879 -10.991 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.072 -9.873 -2.525 1.00 0.00 H new ATOM 0 HG SER A 20 11.113 -11.918 -2.115 1.00 0.00 H new ATOM 299 N SER A 21 7.288 -10.625 -4.955 1.00 0.00 N ATOM 300 CA SER A 21 7.244 -10.136 -6.308 1.00 0.00 C ATOM 301 C SER A 21 6.492 -8.854 -6.536 1.00 0.00 C ATOM 302 O SER A 21 7.064 -7.869 -7.003 1.00 0.00 O ATOM 303 CB SER A 21 6.716 -11.254 -7.234 1.00 0.00 C ATOM 304 OG SER A 21 7.247 -12.509 -6.800 1.00 0.00 O ATOM 0 H SER A 21 7.074 -11.621 -4.910 1.00 0.00 H new ATOM 0 HA SER A 21 8.273 -9.868 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.627 -11.278 -7.211 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.009 -11.058 -8.265 1.00 0.00 H new ATOM 0 HG SER A 21 6.915 -13.224 -7.382 1.00 0.00 H new ATOM 310 N GLY A 22 5.183 -8.821 -6.211 1.00 0.00 N ATOM 311 CA GLY A 22 4.362 -7.669 -6.514 1.00 0.00 C ATOM 312 C GLY A 22 4.706 -6.536 -5.601 1.00 0.00 C ATOM 313 O GLY A 22 5.046 -5.441 -6.043 1.00 0.00 O ATOM 0 H GLY A 22 4.690 -9.581 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.512 -7.369 -7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.308 -7.926 -6.406 1.00 0.00 H new ATOM 317 N CYS A 23 4.643 -6.809 -4.281 1.00 0.00 N ATOM 318 CA CYS A 23 4.756 -5.836 -3.218 1.00 0.00 C ATOM 319 C CYS A 23 6.086 -5.146 -3.245 1.00 0.00 C ATOM 320 O CYS A 23 6.126 -3.919 -3.203 1.00 0.00 O ATOM 321 CB CYS A 23 4.508 -6.498 -1.835 1.00 0.00 C ATOM 322 SG CYS A 23 4.620 -5.453 -0.338 1.00 0.00 S ATOM 0 H CYS A 23 4.506 -7.757 -3.931 1.00 0.00 H new ATOM 0 HA CYS A 23 3.987 -5.080 -3.380 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.514 -6.945 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.222 -7.314 -1.725 1.00 0.00 H new ATOM 327 N ASP A 24 7.209 -5.899 -3.350 1.00 0.00 N ATOM 328 CA ASP A 24 8.541 -5.320 -3.283 1.00 0.00 C ATOM 329 C ASP A 24 8.731 -4.357 -4.429 1.00 0.00 C ATOM 330 O ASP A 24 9.222 -3.243 -4.258 1.00 0.00 O ATOM 331 CB ASP A 24 9.661 -6.397 -3.323 1.00 0.00 C ATOM 332 CG ASP A 24 11.032 -5.807 -2.981 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.202 -5.345 -1.821 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.924 -5.818 -3.872 1.00 0.00 O ATOM 0 H ASP A 24 7.201 -6.910 -3.482 1.00 0.00 H new ATOM 0 HA ASP A 24 8.621 -4.800 -2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.423 -7.195 -2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.697 -6.847 -4.315 1.00 0.00 H new ATOM 339 N THR A 25 8.269 -4.772 -5.624 1.00 0.00 N ATOM 340 CA THR A 25 8.367 -3.991 -6.831 1.00 0.00 C ATOM 341 C THR A 25 7.508 -2.746 -6.733 1.00 0.00 C ATOM 342 O THR A 25 7.997 -1.643 -6.978 1.00 0.00 O ATOM 343 CB THR A 25 7.953 -4.800 -8.044 1.00 0.00 C ATOM 344 OG1 THR A 25 8.597 -6.074 -8.031 1.00 0.00 O ATOM 345 CG2 THR A 25 8.352 -4.060 -9.338 1.00 0.00 C ATOM 0 H THR A 25 7.814 -5.675 -5.760 1.00 0.00 H new ATOM 0 HA THR A 25 9.410 -3.699 -6.948 1.00 0.00 H new ATOM 0 HB THR A 25 6.872 -4.933 -8.012 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.003 -6.737 -7.620 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.050 -4.651 -10.203 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.856 -3.090 -9.370 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.432 -3.916 -9.357 1.00 0.00 H new ATOM 353 N LEU A 26 6.209 -2.902 -6.355 1.00 0.00 N ATOM 354 CA LEU A 26 5.231 -1.830 -6.295 1.00 0.00 C ATOM 355 C LEU A 26 5.628 -0.820 -5.263 1.00 0.00 C ATOM 356 O LEU A 26 5.554 0.389 -5.479 1.00 0.00 O ATOM 357 CB LEU A 26 3.813 -2.321 -5.908 1.00 0.00 C ATOM 358 CG LEU A 26 3.092 -3.113 -7.021 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.895 -3.888 -6.438 1.00 0.00 C ATOM 360 CD2 LEU A 26 2.671 -2.208 -8.197 1.00 0.00 C ATOM 0 H LEU A 26 5.825 -3.806 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 26 5.205 -1.405 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.888 -2.949 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.203 -1.459 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 26 3.799 -3.836 -7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.397 -4.441 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.248 -4.585 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.192 -3.187 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.168 -2.808 -8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.992 -1.435 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.555 -1.741 -8.631 1.00 0.00 H new ATOM 372 N CYS A 27 6.107 -1.312 -4.106 1.00 0.00 N ATOM 373 CA CYS A 27 6.587 -0.488 -3.026 1.00 0.00 C ATOM 374 C CYS A 27 7.770 0.301 -3.503 1.00 0.00 C ATOM 375 O CYS A 27 7.837 1.513 -3.300 1.00 0.00 O ATOM 376 CB CYS A 27 6.985 -1.317 -1.774 1.00 0.00 C ATOM 377 SG CYS A 27 7.240 -0.322 -0.278 1.00 0.00 S ATOM 0 H CYS A 27 6.164 -2.311 -3.910 1.00 0.00 H new ATOM 0 HA CYS A 27 5.774 0.174 -2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.208 -2.056 -1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.900 -1.868 -1.992 1.00 0.00 H new ATOM 382 N LYS A 28 8.727 -0.359 -4.194 1.00 0.00 N ATOM 383 CA LYS A 28 9.963 0.282 -4.582 1.00 0.00 C ATOM 384 C LYS A 28 9.711 1.364 -5.596 1.00 0.00 C ATOM 385 O LYS A 28 10.240 2.467 -5.470 1.00 0.00 O ATOM 386 CB LYS A 28 10.998 -0.720 -5.142 1.00 0.00 C ATOM 387 CG LYS A 28 12.402 -0.132 -5.365 1.00 0.00 C ATOM 388 CD LYS A 28 13.431 -1.203 -5.761 1.00 0.00 C ATOM 389 CE LYS A 28 14.848 -0.655 -5.985 1.00 0.00 C ATOM 390 NZ LYS A 28 15.413 -0.086 -4.740 1.00 0.00 N ATOM 0 H LYS A 28 8.649 -1.333 -4.485 1.00 0.00 H new ATOM 0 HA LYS A 28 10.380 0.721 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.076 -1.563 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.628 -1.113 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.355 0.628 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.733 0.366 -4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.466 -1.964 -4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.095 -1.696 -6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.495 -1.454 -6.348 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.824 0.112 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.405 0.182 -4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.867 0.755 -4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.364 -0.795 -3.981 1.00 0.00 H new ATOM 404 N GLU A 29 8.871 1.080 -6.619 1.00 0.00 N ATOM 405 CA GLU A 29 8.630 1.997 -7.714 1.00 0.00 C ATOM 406 C GLU A 29 7.796 3.182 -7.303 1.00 0.00 C ATOM 407 O GLU A 29 7.863 4.222 -7.952 1.00 0.00 O ATOM 408 CB GLU A 29 7.968 1.328 -8.950 1.00 0.00 C ATOM 409 CG GLU A 29 6.543 0.799 -8.711 1.00 0.00 C ATOM 410 CD GLU A 29 6.037 0.045 -9.937 1.00 0.00 C ATOM 411 OE1 GLU A 29 5.798 0.712 -10.978 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.879 -1.203 -9.847 1.00 0.00 O ATOM 0 H GLU A 29 8.351 0.205 -6.691 1.00 0.00 H new ATOM 0 HA GLU A 29 9.626 2.336 -8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.940 2.051 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.597 0.501 -9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.535 0.140 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.874 1.630 -8.487 1.00 0.00 H new ATOM 419 N LYS A 30 6.987 3.064 -6.224 1.00 0.00 N ATOM 420 CA LYS A 30 6.222 4.184 -5.711 1.00 0.00 C ATOM 421 C LYS A 30 7.057 4.946 -4.716 1.00 0.00 C ATOM 422 O LYS A 30 6.807 6.121 -4.448 1.00 0.00 O ATOM 423 CB LYS A 30 4.887 3.748 -5.068 1.00 0.00 C ATOM 424 CG LYS A 30 3.900 3.150 -6.092 1.00 0.00 C ATOM 425 CD LYS A 30 3.315 4.184 -7.074 1.00 0.00 C ATOM 426 CE LYS A 30 2.485 3.570 -8.213 1.00 0.00 C ATOM 427 NZ LYS A 30 3.330 2.812 -9.165 1.00 0.00 N ATOM 0 H LYS A 30 6.859 2.196 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 30 5.968 4.825 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.087 3.012 -4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.424 4.607 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.409 2.371 -6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.082 2.670 -5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.689 4.882 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.132 4.762 -7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.727 2.908 -7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.958 4.362 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.748 2.486 -9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.090 3.427 -9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.747 1.991 -8.682 1.00 0.00 H new ATOM 441 N GLY A 31 8.115 4.300 -4.192 1.00 0.00 N ATOM 442 CA GLY A 31 9.203 4.987 -3.550 1.00 0.00 C ATOM 443 C GLY A 31 9.155 4.727 -2.091 1.00 0.00 C ATOM 444 O GLY A 31 9.351 5.643 -1.296 1.00 0.00 O ATOM 0 H GLY A 31 8.221 3.286 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.154 4.648 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.136 6.058 -3.742 1.00 0.00 H new ATOM 448 N GLY A 32 8.869 3.466 -1.695 1.00 0.00 N ATOM 449 CA GLY A 32 8.971 3.031 -0.331 1.00 0.00 C ATOM 450 C GLY A 32 10.228 2.239 -0.311 1.00 0.00 C ATOM 451 O GLY A 32 10.446 1.371 -1.159 1.00 0.00 O ATOM 0 H GLY A 32 8.561 2.735 -2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.018 3.875 0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.112 2.428 -0.037 1.00 0.00 H new ATOM 455 N THR A 33 11.123 2.562 0.640 1.00 0.00 N ATOM 456 CA THR A 33 12.486 2.099 0.623 1.00 0.00 C ATOM 457 C THR A 33 12.611 0.933 1.562 1.00 0.00 C ATOM 458 O THR A 33 13.691 0.389 1.797 1.00 0.00 O ATOM 459 CB THR A 33 13.423 3.223 1.019 1.00 0.00 C ATOM 460 OG1 THR A 33 12.885 3.960 2.113 1.00 0.00 O ATOM 461 CG2 THR A 33 13.560 4.166 -0.193 1.00 0.00 C ATOM 0 H THR A 33 10.901 3.156 1.439 1.00 0.00 H new ATOM 0 HA THR A 33 12.761 1.778 -0.382 1.00 0.00 H new ATOM 0 HB THR A 33 14.387 2.811 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.503 4.681 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.230 4.988 0.060 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.967 3.613 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.580 4.564 -0.457 1.00 0.00 H new ATOM 469 N SER A 34 11.483 0.499 2.135 1.00 0.00 N ATOM 470 CA SER A 34 11.396 -0.742 2.822 1.00 0.00 C ATOM 471 C SER A 34 9.930 -0.916 2.782 1.00 0.00 C ATOM 472 O SER A 34 9.214 0.044 2.479 1.00 0.00 O ATOM 473 CB SER A 34 11.886 -0.701 4.277 1.00 0.00 C ATOM 474 OG SER A 34 13.298 -0.554 4.276 1.00 0.00 O ATOM 0 H SER A 34 10.609 1.024 2.120 1.00 0.00 H new ATOM 0 HA SER A 34 12.011 -1.528 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.420 0.128 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.601 -1.615 4.798 1.00 0.00 H new ATOM 0 HG SER A 34 13.611 -0.411 3.358 1.00 0.00 H new ATOM 480 N GLY A 35 9.459 -2.139 3.069 1.00 0.00 N ATOM 481 CA GLY A 35 8.083 -2.456 2.995 1.00 0.00 C ATOM 482 C GLY A 35 8.137 -3.876 3.391 1.00 0.00 C ATOM 483 O GLY A 35 9.216 -4.349 3.759 1.00 0.00 O ATOM 0 H GLY A 35 10.051 -2.918 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.478 -1.855 3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.674 -2.316 1.994 1.00 0.00 H new ATOM 487 N HIS A 36 6.993 -4.577 3.313 1.00 0.00 N ATOM 488 CA HIS A 36 6.911 -5.990 3.520 1.00 0.00 C ATOM 489 C HIS A 36 5.498 -6.218 3.099 1.00 0.00 C ATOM 490 O HIS A 36 4.791 -5.244 2.828 1.00 0.00 O ATOM 491 CB HIS A 36 7.148 -6.483 4.973 1.00 0.00 C ATOM 492 CG HIS A 36 6.349 -5.762 6.028 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.875 -4.780 6.825 1.00 0.00 N ATOM 494 CD2 HIS A 36 5.056 -5.921 6.397 1.00 0.00 C ATOM 495 CE1 HIS A 36 5.927 -4.362 7.652 1.00 0.00 C ATOM 496 NE2 HIS A 36 4.813 -5.038 7.412 1.00 0.00 N ATOM 0 H HIS A 36 6.094 -4.146 3.099 1.00 0.00 H new ATOM 0 HA HIS A 36 7.688 -6.535 2.984 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.912 -7.546 5.023 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.208 -6.380 5.207 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.348 -6.616 5.969 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.044 -3.593 8.402 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.926 -4.920 7.901 1.00 0.00 H new ATOM 505 N CYS A 37 5.060 -7.493 3.027 1.00 0.00 N ATOM 506 CA CYS A 37 3.742 -7.868 2.574 1.00 0.00 C ATOM 507 C CYS A 37 2.911 -7.984 3.820 1.00 0.00 C ATOM 508 O CYS A 37 3.456 -8.243 4.893 1.00 0.00 O ATOM 509 CB CYS A 37 3.811 -9.235 1.847 1.00 0.00 C ATOM 510 SG CYS A 37 2.266 -9.873 1.130 1.00 0.00 S ATOM 0 H CYS A 37 5.638 -8.291 3.291 1.00 0.00 H new ATOM 0 HA CYS A 37 3.323 -7.144 1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.547 -9.156 1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.187 -9.975 2.554 1.00 0.00 H new ATOM 515 N GLY A 38 1.577 -7.795 3.728 1.00 0.00 N ATOM 516 CA GLY A 38 0.753 -7.904 4.893 1.00 0.00 C ATOM 517 C GLY A 38 -0.643 -7.844 4.382 1.00 0.00 C ATOM 518 O GLY A 38 -0.887 -8.002 3.186 1.00 0.00 O ATOM 0 H GLY A 38 1.080 -7.572 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.940 -8.838 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.952 -7.094 5.595 1.00 0.00 H new ATOM 522 N PHE A 39 -1.619 -7.621 5.279 1.00 0.00 N ATOM 523 CA PHE A 39 -3.011 -7.737 4.977 1.00 0.00 C ATOM 524 C PHE A 39 -3.515 -6.689 5.913 1.00 0.00 C ATOM 525 O PHE A 39 -2.903 -6.496 6.972 1.00 0.00 O ATOM 526 CB PHE A 39 -3.542 -9.144 5.392 1.00 0.00 C ATOM 527 CG PHE A 39 -4.728 -9.646 4.606 1.00 0.00 C ATOM 528 CD1 PHE A 39 -6.021 -9.144 4.823 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.568 -10.727 3.720 1.00 0.00 C ATOM 530 CE1 PHE A 39 -7.131 -9.709 4.179 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.670 -11.288 3.066 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.954 -10.780 3.297 1.00 0.00 C ATOM 0 H PHE A 39 -1.434 -7.351 6.245 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.292 -7.624 3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.730 -9.864 5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.813 -9.114 6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.163 -8.311 5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.581 -11.129 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.121 -9.318 4.364 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.530 -12.113 2.383 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.806 -11.214 2.795 1.00 0.00 H new ATOM 542 N LYS A 40 -4.606 -5.988 5.547 1.00 0.00 N ATOM 543 CA LYS A 40 -5.321 -5.159 6.480 1.00 0.00 C ATOM 544 C LYS A 40 -6.734 -5.605 6.277 1.00 0.00 C ATOM 545 O LYS A 40 -7.389 -5.228 5.300 1.00 0.00 O ATOM 546 CB LYS A 40 -5.170 -3.631 6.252 1.00 0.00 C ATOM 547 CG LYS A 40 -6.053 -2.783 7.185 1.00 0.00 C ATOM 548 CD LYS A 40 -5.756 -1.275 7.150 1.00 0.00 C ATOM 549 CE LYS A 40 -6.887 -0.454 7.795 1.00 0.00 C ATOM 550 NZ LYS A 40 -6.577 0.997 7.850 1.00 0.00 N ATOM 0 H LYS A 40 -4.996 -5.993 4.604 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.939 -5.279 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.127 -3.351 6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.421 -3.399 5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.098 -2.941 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.928 -3.141 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.820 -1.077 7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.619 -0.956 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.808 -0.604 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.068 -0.822 8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.369 1.505 8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.714 1.147 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.430 1.357 6.886 1.00 0.00 H new ATOM 564 N VAL A 41 -7.230 -6.467 7.197 1.00 0.00 N ATOM 565 CA VAL A 41 -8.523 -7.092 7.086 1.00 0.00 C ATOM 566 C VAL A 41 -9.541 -6.006 7.302 1.00 0.00 C ATOM 567 O VAL A 41 -9.530 -5.325 8.323 1.00 0.00 O ATOM 568 CB VAL A 41 -8.771 -8.238 8.066 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.951 -9.089 7.546 1.00 0.00 C ATOM 570 CG2 VAL A 41 -7.500 -9.102 8.227 1.00 0.00 C ATOM 0 H VAL A 41 -6.719 -6.736 8.038 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.590 -7.556 6.102 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.019 -7.834 9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.139 -9.911 8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.843 -8.467 7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.705 -9.490 6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.697 -9.912 8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.219 -9.520 7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.686 -8.484 8.606 1.00 0.00 H new ATOM 580 N GLY A 42 -10.393 -5.783 6.291 1.00 0.00 N ATOM 581 CA GLY A 42 -11.181 -4.590 6.222 1.00 0.00 C ATOM 582 C GLY A 42 -11.146 -4.280 4.771 1.00 0.00 C ATOM 583 O GLY A 42 -12.180 -4.051 4.159 1.00 0.00 O ATOM 0 H GLY A 42 -10.539 -6.430 5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.198 -4.751 6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.756 -3.785 6.821 1.00 0.00 H new ATOM 587 N HIS A 43 -9.940 -4.300 4.165 1.00 0.00 N ATOM 588 CA HIS A 43 -9.805 -4.144 2.738 1.00 0.00 C ATOM 589 C HIS A 43 -9.457 -5.495 2.185 1.00 0.00 C ATOM 590 O HIS A 43 -10.295 -6.165 1.585 1.00 0.00 O ATOM 591 CB HIS A 43 -8.720 -3.124 2.351 1.00 0.00 C ATOM 592 CG HIS A 43 -9.153 -1.694 2.532 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.244 -0.819 1.481 1.00 0.00 N ATOM 594 CD2 HIS A 43 -9.446 -0.994 3.655 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.574 0.372 1.955 1.00 0.00 C ATOM 596 NE2 HIS A 43 -9.711 0.292 3.269 1.00 0.00 N ATOM 0 H HIS A 43 -9.057 -4.424 4.660 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.740 -3.761 2.328 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.830 -3.305 2.953 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.438 -3.282 1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.466 -1.378 4.664 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.710 1.266 1.364 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.970 1.059 3.889 1.00 0.00 H new ATOM 605 N GLY A 44 -8.200 -5.950 2.369 1.00 0.00 N ATOM 606 CA GLY A 44 -7.777 -7.166 1.747 1.00 0.00 C ATOM 607 C GLY A 44 -6.300 -7.216 1.938 1.00 0.00 C ATOM 608 O GLY A 44 -5.770 -6.566 2.845 1.00 0.00 O ATOM 0 H GLY A 44 -7.492 -5.485 2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.261 -8.030 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.037 -7.177 0.688 1.00 0.00 H new ATOM 612 N LEU A 45 -5.623 -7.980 1.043 1.00 0.00 N ATOM 613 CA LEU A 45 -4.192 -8.204 0.968 1.00 0.00 C ATOM 614 C LEU A 45 -3.610 -6.861 0.619 1.00 0.00 C ATOM 615 O LEU A 45 -4.122 -6.227 -0.299 1.00 0.00 O ATOM 616 CB LEU A 45 -3.861 -9.186 -0.199 1.00 0.00 C ATOM 617 CG LEU A 45 -3.247 -10.539 0.242 1.00 0.00 C ATOM 618 CD1 LEU A 45 -3.390 -11.591 -0.877 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.779 -10.411 0.684 1.00 0.00 C ATOM 0 H LEU A 45 -6.119 -8.485 0.308 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.804 -8.622 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.775 -9.384 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.169 -8.695 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.809 -10.870 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.953 -12.534 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.446 -11.740 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.872 -11.244 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.402 -11.389 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.182 -10.029 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.712 -9.724 1.528 1.00 0.00 H new ATOM 631 N ALA A 46 -2.580 -6.374 1.347 1.00 0.00 N ATOM 632 CA ALA A 46 -2.151 -5.007 1.210 1.00 0.00 C ATOM 633 C ALA A 46 -0.686 -5.089 1.029 1.00 0.00 C ATOM 634 O ALA A 46 -0.137 -6.180 1.160 1.00 0.00 O ATOM 635 CB ALA A 46 -2.447 -4.159 2.460 1.00 0.00 C ATOM 0 H ALA A 46 -2.048 -6.920 2.025 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.678 -4.529 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.101 -3.138 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.520 -4.153 2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.929 -4.585 3.320 1.00 0.00 H new ATOM 641 N CYS A 47 0.013 -3.959 0.764 1.00 0.00 N ATOM 642 CA CYS A 47 1.460 -4.051 0.765 1.00 0.00 C ATOM 643 C CYS A 47 1.772 -3.044 1.821 1.00 0.00 C ATOM 644 O CYS A 47 0.904 -2.231 2.124 1.00 0.00 O ATOM 645 CB CYS A 47 2.047 -3.800 -0.653 1.00 0.00 C ATOM 646 SG CYS A 47 3.852 -3.632 -0.805 1.00 0.00 S ATOM 0 H CYS A 47 -0.383 -3.041 0.562 1.00 0.00 H new ATOM 0 HA CYS A 47 1.904 -5.022 0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.732 -4.621 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.591 -2.892 -1.048 1.00 0.00 H new ATOM 651 N TRP A 48 2.951 -3.094 2.471 1.00 0.00 N ATOM 652 CA TRP A 48 3.323 -2.158 3.505 1.00 0.00 C ATOM 653 C TRP A 48 4.526 -1.496 2.915 1.00 0.00 C ATOM 654 O TRP A 48 5.226 -2.131 2.128 1.00 0.00 O ATOM 655 CB TRP A 48 3.638 -2.842 4.877 1.00 0.00 C ATOM 656 CG TRP A 48 4.314 -1.967 5.922 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.646 -1.684 6.025 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.659 -1.176 6.929 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.857 -0.709 6.958 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.652 -0.370 7.528 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.331 -1.094 7.326 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.325 0.552 8.514 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.002 -0.179 8.336 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.984 0.643 8.912 1.00 0.00 C ATOM 0 H TRP A 48 3.665 -3.797 2.279 1.00 0.00 H new ATOM 0 HA TRP A 48 2.518 -1.467 3.757 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.704 -3.217 5.296 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.274 -3.707 4.691 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.424 -2.164 5.449 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.761 -0.299 7.194 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.575 -1.716 6.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.081 1.180 8.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.979 -0.105 8.676 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.702 1.356 9.673 1.00 0.00 H new ATOM 675 N CYS A 49 4.784 -0.213 3.272 1.00 0.00 N ATOM 676 CA CYS A 49 5.917 0.513 2.777 1.00 0.00 C ATOM 677 C CYS A 49 6.307 1.428 3.889 1.00 0.00 C ATOM 678 O CYS A 49 5.460 1.839 4.683 1.00 0.00 O ATOM 679 CB CYS A 49 5.617 1.404 1.559 1.00 0.00 C ATOM 680 SG CYS A 49 5.401 0.465 0.029 1.00 0.00 S ATOM 0 H CYS A 49 4.196 0.322 3.912 1.00 0.00 H new ATOM 0 HA CYS A 49 6.675 -0.205 2.464 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.714 1.983 1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.431 2.117 1.429 1.00 0.00 H new ATOM 685 N ASN A 50 7.607 1.782 3.950 1.00 0.00 N ATOM 686 CA ASN A 50 8.113 2.787 4.848 1.00 0.00 C ATOM 687 C ASN A 50 8.709 3.824 3.956 1.00 0.00 C ATOM 688 O ASN A 50 9.303 3.489 2.930 1.00 0.00 O ATOM 689 CB ASN A 50 9.272 2.341 5.785 1.00 0.00 C ATOM 690 CG ASN A 50 8.743 1.589 7.010 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.291 0.443 6.909 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.798 2.243 8.206 1.00 0.00 N ATOM 0 H ASN A 50 8.326 1.361 3.362 1.00 0.00 H new ATOM 0 HA ASN A 50 7.288 3.089 5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.962 1.702 5.234 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.837 3.215 6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.460 1.786 9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.177 3.189 8.253 1.00 0.00 H new ATOM 699 N ALA A 51 8.585 5.099 4.389 1.00 0.00 N ATOM 700 CA ALA A 51 9.212 6.272 3.838 1.00 0.00 C ATOM 701 C ALA A 51 8.710 6.532 2.459 1.00 0.00 C ATOM 702 O ALA A 51 9.488 6.702 1.525 1.00 0.00 O ATOM 703 CB ALA A 51 10.753 6.268 3.876 1.00 0.00 C ATOM 0 H ALA A 51 7.997 5.327 5.191 1.00 0.00 H new ATOM 0 HA ALA A 51 8.923 7.090 4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.130 7.193 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.091 6.191 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.129 5.418 3.307 1.00 0.00 H new ATOM 709 N LEU A 52 7.369 6.597 2.327 1.00 0.00 N ATOM 710 CA LEU A 52 6.752 6.938 1.073 1.00 0.00 C ATOM 711 C LEU A 52 6.603 8.427 1.147 1.00 0.00 C ATOM 712 O LEU A 52 6.262 8.924 2.225 1.00 0.00 O ATOM 713 CB LEU A 52 5.329 6.359 0.852 1.00 0.00 C ATOM 714 CG LEU A 52 5.281 4.875 0.440 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.860 4.319 0.635 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.762 4.641 -1.005 1.00 0.00 C ATOM 0 H LEU A 52 6.712 6.414 3.085 1.00 0.00 H new ATOM 0 HA LEU A 52 7.363 6.539 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.757 6.483 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.829 6.949 0.084 1.00 0.00 H new ATOM 0 HG LEU A 52 5.973 4.338 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.836 3.270 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.575 4.409 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.160 4.884 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.706 3.578 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.128 5.198 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.793 4.981 -1.105 1.00 0.00 H new ATOM 728 N PRO A 53 6.834 9.185 0.084 1.00 0.00 N ATOM 729 CA PRO A 53 6.626 10.617 0.089 1.00 0.00 C ATOM 730 C PRO A 53 5.150 10.909 0.097 1.00 0.00 C ATOM 731 O PRO A 53 4.328 10.013 -0.082 1.00 0.00 O ATOM 732 CB PRO A 53 7.297 11.098 -1.206 1.00 0.00 C ATOM 733 CG PRO A 53 7.244 9.895 -2.157 1.00 0.00 C ATOM 734 CD PRO A 53 7.303 8.691 -1.215 1.00 0.00 C ATOM 0 HA PRO A 53 7.042 11.118 0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.772 11.956 -1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.325 11.411 -1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.331 9.894 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.080 9.899 -2.856 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.672 7.879 -1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.317 8.299 -1.143 1.00 0.00 H new ATOM 742 N ASP A 54 4.783 12.177 0.310 1.00 0.00 N ATOM 743 CA ASP A 54 3.430 12.544 0.640 1.00 0.00 C ATOM 744 C ASP A 54 2.549 12.671 -0.577 1.00 0.00 C ATOM 745 O ASP A 54 1.447 13.210 -0.499 1.00 0.00 O ATOM 746 CB ASP A 54 3.418 13.908 1.353 1.00 0.00 C ATOM 747 CG ASP A 54 4.286 13.850 2.615 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.918 13.103 3.560 1.00 0.00 O ATOM 749 OD2 ASP A 54 5.345 14.532 2.638 1.00 0.00 O ATOM 0 H ASP A 54 5.426 12.967 0.255 1.00 0.00 H new ATOM 0 HA ASP A 54 3.044 11.748 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.790 14.682 0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.396 14.180 1.617 1.00 0.00 H new ATOM 754 N ASN A 55 3.018 12.170 -1.737 1.00 0.00 N ATOM 755 CA ASN A 55 2.270 12.167 -2.975 1.00 0.00 C ATOM 756 C ASN A 55 1.755 10.778 -3.217 1.00 0.00 C ATOM 757 O ASN A 55 1.182 10.505 -4.270 1.00 0.00 O ATOM 758 CB ASN A 55 3.105 12.618 -4.209 1.00 0.00 C ATOM 759 CG ASN A 55 4.376 11.774 -4.403 1.00 0.00 C ATOM 760 OD1 ASN A 55 5.411 12.103 -3.814 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.284 10.672 -5.202 1.00 0.00 N ATOM 0 H ASN A 55 3.945 11.753 -1.824 1.00 0.00 H new ATOM 0 HA ASN A 55 1.461 12.889 -2.863 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.488 12.550 -5.105 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.383 13.665 -4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.097 10.071 -5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.402 10.449 -5.664 1.00 0.00 H new ATOM 768 N VAL A 56 1.980 9.855 -2.261 1.00 0.00 N ATOM 769 CA VAL A 56 1.532 8.491 -2.364 1.00 0.00 C ATOM 770 C VAL A 56 0.358 8.444 -1.426 1.00 0.00 C ATOM 771 O VAL A 56 0.285 9.246 -0.499 1.00 0.00 O ATOM 772 CB VAL A 56 2.613 7.494 -1.974 1.00 0.00 C ATOM 773 CG1 VAL A 56 2.240 6.078 -2.466 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.954 7.976 -2.573 1.00 0.00 C ATOM 0 H VAL A 56 2.483 10.057 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 56 1.274 8.211 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 56 2.708 7.437 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.023 5.375 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.296 5.773 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.138 6.085 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.745 7.275 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.869 8.030 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.195 8.963 -2.178 1.00 0.00 H new ATOM 784 N GLY A 57 -0.602 7.526 -1.636 1.00 0.00 N ATOM 785 CA GLY A 57 -1.809 7.465 -0.855 1.00 0.00 C ATOM 786 C GLY A 57 -1.780 6.084 -0.316 1.00 0.00 C ATOM 787 O GLY A 57 -1.076 5.226 -0.852 1.00 0.00 O ATOM 0 H GLY A 57 -0.544 6.810 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.814 8.210 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.695 7.643 -1.464 1.00 0.00 H new ATOM 791 N ILE A 58 -2.512 5.843 0.784 1.00 0.00 N ATOM 792 CA ILE A 58 -2.343 4.693 1.612 1.00 0.00 C ATOM 793 C ILE A 58 -3.710 4.496 2.172 1.00 0.00 C ATOM 794 O ILE A 58 -4.618 5.239 1.799 1.00 0.00 O ATOM 795 CB ILE A 58 -1.318 4.886 2.723 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.593 6.140 3.577 1.00 0.00 C ATOM 797 CG2 ILE A 58 0.102 4.933 2.109 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.670 6.185 4.792 1.00 0.00 C ATOM 0 H ILE A 58 -3.247 6.471 1.108 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.956 3.841 1.053 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.397 4.036 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.449 7.035 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.633 6.141 3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.837 5.071 2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.304 3.998 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.167 5.763 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.884 7.079 5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.834 5.300 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.368 6.208 4.460 1.00 0.00 H new ATOM 810 N ILE A 59 -3.880 3.469 3.040 1.00 0.00 N ATOM 811 CA ILE A 59 -5.176 2.982 3.429 1.00 0.00 C ATOM 812 C ILE A 59 -5.865 4.000 4.285 1.00 0.00 C ATOM 813 O ILE A 59 -5.294 4.522 5.241 1.00 0.00 O ATOM 814 CB ILE A 59 -5.185 1.662 4.196 1.00 0.00 C ATOM 815 CG1 ILE A 59 -3.999 0.734 3.883 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.529 0.957 3.934 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.854 0.275 2.437 1.00 0.00 C ATOM 0 H ILE A 59 -3.105 2.971 3.477 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.688 2.801 2.484 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.069 1.899 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.081 1.246 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.083 -0.151 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.555 0.011 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.346 1.592 4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.639 0.768 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.982 -0.373 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.747 -0.274 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.729 1.144 1.790 1.00 0.00 H new ATOM 829 N VAL A 60 -7.129 4.270 3.938 1.00 0.00 N ATOM 830 CA VAL A 60 -8.054 5.092 4.652 1.00 0.00 C ATOM 831 C VAL A 60 -9.169 4.094 4.827 1.00 0.00 C ATOM 832 O VAL A 60 -9.205 3.090 4.116 1.00 0.00 O ATOM 833 CB VAL A 60 -8.425 6.295 3.783 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.723 6.999 4.222 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.211 7.250 3.769 1.00 0.00 C ATOM 0 H VAL A 60 -7.540 3.882 3.089 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.723 5.537 5.590 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.647 5.950 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.922 7.842 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.554 6.295 4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.613 7.359 5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.441 8.122 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.988 7.570 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.346 6.733 3.354 1.00 0.00 H new