USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 784 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 86 THR OG1 : rot 86:sc= 1.66 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -140:sc= -1.11! (180deg=-5.23!) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -5.3! C(o=-16!,f=-29!) USER MOD Set 2.2: A 89 CYS SG : rot 178:sc= -7.47! USER MOD Set 2.3: A 92 HIS : +bothHN:sc= -1.84 K(o=-16,f=-26!) USER MOD Set 2.4: A 97 MET CE :methyl 151:sc= -1.33 (180deg=-3.45!) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.607 USER MOD Set 3.2: A 75 THR OG1 : rot 115:sc= 0.665 USER MOD Set 4.1: A 2 THR OG1 : rot -137:sc= -1.58 USER MOD Set 4.2: A 73 SER OG : rot 107:sc= 0.414 USER MOD Set 5.1: A 62 LYS NZ :NH3+ -143:sc= -0.0919! (180deg=-3.97!) USER MOD Set 5.2: A 63 GLN : amide:sc= -3.28! C(o=-3.4!,f=-16!) USER MOD Set 6.1: A 61 HIS : no HE2:sc=-0.00238 K(o=-0.077,f=-4.5!) USER MOD Set 6.2: A 72 THR OG1 : rot 130:sc= -0.0744 USER MOD Set 7.1: A 57 LYS NZ :NH3+ 151:sc= -1.29! (180deg=-3.19!) USER MOD Set 7.2: A 60 SER OG : rot 65:sc= -2.46! USER MOD Set 7.3: A 88 TYR OH : rot 159:sc= 1.84 USER MOD Set 8.1: A 9 SER OG : rot 87:sc= 1.44 USER MOD Set 8.2: A 35 LYS NZ :NH3+ -154:sc= 0.382! (180deg=0.367) USER MOD Set 9.1: A 24 LYS NZ :NH3+ 149:sc= 1.85 (180deg=-1.37!) USER MOD Set 9.2: A 74 THR OG1 : rot -154:sc= 0.662 USER MOD Set10.1: A 20 LYS NZ :NH3+ 131:sc= -0.303! (180deg=-5.28!) USER MOD Set10.2: A 22 THR OG1 : rot 180:sc= 0.268 USER MOD Set10.3: A 102 THR OG1 : rot -61:sc= -2.62! USER MOD Set11.1: A 6 LYS NZ :NH3+ -178:sc= -0.425! (180deg=-1.7!) USER MOD Set11.2: A 34 ASN : amide:sc= -1.16 K(o=-1.6,f=-13!) USER MOD Set12.1: A 1 GLU N :NH3+ -133:sc= -0.839 (180deg=-1.39!) USER MOD Set12.2: A 3 TYR OH : rot 157:sc= 0.776 USER MOD Single : A 4 THR OG1 : rot 54:sc= 0.583 USER MOD Single : A 11 LYS NZ :NH3+ -118:sc= -3.27! (180deg=-8.53!) USER MOD Single : A 33 ASN : amide:sc= -2.46 K(o=-2.5,f=-4.5!) USER MOD Single : A 40 ASN : amide:sc= -5.46! C(o=-5.5!,f=-15!) USER MOD Single : A 48 ASN : amide:sc= 0.473 K(o=0.47,f=-11!) USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= -0.539! (180deg=-2.33!) USER MOD Single : A 52 SER OG : rot -126:sc= -0.99 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 122:sc= -1.44 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 71 SER OG : rot 116:sc= 0.897 USER MOD Single : A 85 TYR OH : rot -7:sc= 0.904 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.631 -5.617 -17.320 1.00 0.00 N ATOM 2 CA GLU A 1 -3.535 -4.795 -17.899 1.00 0.00 C ATOM 3 C GLU A 1 -3.247 -3.593 -16.979 1.00 0.00 C ATOM 4 O GLU A 1 -4.059 -3.297 -16.133 1.00 0.00 O ATOM 5 CB GLU A 1 -3.962 -4.332 -19.284 1.00 0.00 C ATOM 6 CG GLU A 1 -2.821 -3.461 -19.900 1.00 0.00 C ATOM 7 CD GLU A 1 -3.175 -3.113 -21.324 1.00 0.00 C ATOM 8 OE1 GLU A 1 -4.225 -2.519 -21.441 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.368 -3.474 -22.149 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.361 -6.621 -17.343 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.800 -5.326 -16.336 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.499 -5.479 -17.876 1.00 0.00 H new ATOM 0 HA GLU A 1 -2.620 -5.381 -17.983 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -4.167 -5.191 -19.922 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.885 -3.755 -19.221 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -2.685 -2.552 -19.314 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.876 -4.004 -19.870 1.00 0.00 H new ATOM 18 N THR A 2 -2.141 -2.918 -17.141 1.00 0.00 N ATOM 19 CA THR A 2 -1.782 -1.725 -16.270 1.00 0.00 C ATOM 20 C THR A 2 -2.817 -0.610 -16.045 1.00 0.00 C ATOM 21 O THR A 2 -2.874 0.443 -16.645 1.00 0.00 O ATOM 22 CB THR A 2 -0.413 -1.229 -16.851 1.00 0.00 C ATOM 23 OG1 THR A 2 0.275 -0.931 -15.657 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.335 0.050 -17.572 1.00 0.00 C ATOM 0 H THR A 2 -1.445 -3.137 -17.854 1.00 0.00 H new ATOM 0 HA THR A 2 -1.735 -2.059 -15.233 1.00 0.00 H new ATOM 0 HB THR A 2 -0.086 -1.983 -17.567 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.750 -0.079 -15.757 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.691 0.222 -17.898 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.991 0.018 -18.442 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.647 0.859 -16.912 1.00 0.00 H new ATOM 32 N TYR A 3 -3.684 -0.927 -15.117 1.00 0.00 N ATOM 33 CA TYR A 3 -4.787 0.014 -14.711 1.00 0.00 C ATOM 34 C TYR A 3 -4.107 1.195 -13.974 1.00 0.00 C ATOM 35 O TYR A 3 -3.225 0.982 -13.165 1.00 0.00 O ATOM 36 CB TYR A 3 -5.783 -0.708 -13.736 1.00 0.00 C ATOM 37 CG TYR A 3 -6.012 -2.150 -14.176 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.911 -2.449 -15.175 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.296 -3.173 -13.584 1.00 0.00 C ATOM 40 CE1 TYR A 3 -7.080 -3.759 -15.578 1.00 0.00 C ATOM 41 CE2 TYR A 3 -5.475 -4.481 -13.996 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.368 -4.765 -14.996 1.00 0.00 C ATOM 43 OH TYR A 3 -6.531 -6.048 -15.454 1.00 0.00 O ATOM 0 H TYR A 3 -3.678 -1.813 -14.611 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.351 0.353 -15.580 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.385 -0.690 -12.722 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.732 -0.173 -13.715 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.483 -1.661 -15.642 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.593 -2.950 -12.795 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.785 -3.989 -16.364 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.912 -5.277 -13.531 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.738 -6.579 -15.229 1.00 0.00 H new ATOM 53 N THR A 4 -4.532 2.392 -14.242 1.00 0.00 N ATOM 54 CA THR A 4 -3.930 3.603 -13.587 1.00 0.00 C ATOM 55 C THR A 4 -4.517 4.017 -12.241 1.00 0.00 C ATOM 56 O THR A 4 -5.547 4.660 -12.147 1.00 0.00 O ATOM 57 CB THR A 4 -4.056 4.770 -14.561 1.00 0.00 C ATOM 58 OG1 THR A 4 -5.436 4.795 -14.882 1.00 0.00 O ATOM 59 CG2 THR A 4 -3.472 4.450 -15.918 1.00 0.00 C ATOM 0 H THR A 4 -5.285 2.597 -14.899 1.00 0.00 H new ATOM 0 HA THR A 4 -2.900 3.329 -13.359 1.00 0.00 H new ATOM 0 HB THR A 4 -3.593 5.650 -14.115 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.963 4.836 -14.057 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.586 5.312 -16.576 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.414 4.212 -15.812 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.995 3.595 -16.347 1.00 0.00 H new ATOM 67 N VAL A 5 -3.818 3.635 -11.215 1.00 0.00 N ATOM 68 CA VAL A 5 -4.249 3.961 -9.816 1.00 0.00 C ATOM 69 C VAL A 5 -3.523 5.277 -9.470 1.00 0.00 C ATOM 70 O VAL A 5 -2.366 5.445 -9.808 1.00 0.00 O ATOM 71 CB VAL A 5 -3.801 2.801 -8.896 1.00 0.00 C ATOM 72 CG1 VAL A 5 -4.296 3.052 -7.464 1.00 0.00 C ATOM 73 CG2 VAL A 5 -4.417 1.477 -9.375 1.00 0.00 C ATOM 0 H VAL A 5 -2.951 3.102 -11.279 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.326 4.078 -9.699 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.713 2.745 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.978 2.232 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.878 3.988 -7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.384 3.114 -7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.095 0.668 -8.720 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.504 1.552 -9.351 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.090 1.271 -10.394 1.00 0.00 H new ATOM 83 N LYS A 6 -4.176 6.186 -8.810 1.00 0.00 N ATOM 84 CA LYS A 6 -3.491 7.480 -8.467 1.00 0.00 C ATOM 85 C LYS A 6 -3.357 7.709 -6.947 1.00 0.00 C ATOM 86 O LYS A 6 -4.243 7.417 -6.172 1.00 0.00 O ATOM 87 CB LYS A 6 -4.302 8.625 -9.135 1.00 0.00 C ATOM 88 CG LYS A 6 -4.454 8.379 -10.658 1.00 0.00 C ATOM 89 CD LYS A 6 -5.115 9.608 -11.381 1.00 0.00 C ATOM 90 CE LYS A 6 -4.237 10.875 -11.321 1.00 0.00 C ATOM 91 NZ LYS A 6 -4.703 11.691 -10.172 1.00 0.00 N ATOM 0 H LYS A 6 -5.142 6.102 -8.492 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.468 7.452 -8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.287 8.695 -8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.801 9.578 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.475 8.183 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.061 7.489 -10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.306 9.352 -12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.081 9.818 -10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.187 10.608 -11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.317 11.440 -12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.151 12.571 -10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.710 11.920 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.575 11.154 -9.290 1.00 0.00 H new ATOM 105 N LEU A 7 -2.227 8.228 -6.571 1.00 0.00 N ATOM 106 CA LEU A 7 -1.943 8.514 -5.127 1.00 0.00 C ATOM 107 C LEU A 7 -1.475 9.976 -4.853 1.00 0.00 C ATOM 108 O LEU A 7 -0.717 10.584 -5.589 1.00 0.00 O ATOM 109 CB LEU A 7 -0.890 7.417 -4.662 1.00 0.00 C ATOM 110 CG LEU A 7 0.114 6.990 -5.758 1.00 0.00 C ATOM 111 CD1 LEU A 7 0.895 8.170 -6.215 1.00 0.00 C ATOM 112 CD2 LEU A 7 1.113 5.980 -5.201 1.00 0.00 C ATOM 0 H LEU A 7 -1.470 8.473 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.859 8.447 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.334 7.804 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.430 6.535 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.455 6.553 -6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.600 7.863 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.217 8.920 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.441 8.593 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.812 5.690 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.662 6.429 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.579 5.098 -4.846 1.00 0.00 H new ATOM 124 N GLY A 8 -1.956 10.519 -3.764 1.00 0.00 N ATOM 125 CA GLY A 8 -1.587 11.943 -3.376 1.00 0.00 C ATOM 126 C GLY A 8 -2.734 12.951 -3.558 1.00 0.00 C ATOM 127 O GLY A 8 -2.672 13.797 -4.423 1.00 0.00 O ATOM 0 H GLY A 8 -2.590 10.049 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.267 11.955 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.735 12.264 -3.975 1.00 0.00 H new ATOM 131 N SER A 9 -3.765 12.855 -2.764 1.00 0.00 N ATOM 132 CA SER A 9 -4.946 13.795 -2.854 1.00 0.00 C ATOM 133 C SER A 9 -5.581 13.832 -4.238 1.00 0.00 C ATOM 134 O SER A 9 -5.617 14.806 -4.965 1.00 0.00 O ATOM 135 CB SER A 9 -4.459 15.200 -2.389 1.00 0.00 C ATOM 136 OG SER A 9 -5.510 16.124 -2.708 1.00 0.00 O ATOM 0 H SER A 9 -3.850 12.149 -2.033 1.00 0.00 H new ATOM 0 HA SER A 9 -5.744 13.436 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.251 15.204 -1.319 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.534 15.476 -2.894 1.00 0.00 H new ATOM 0 HG SER A 9 -6.150 16.160 -1.967 1.00 0.00 H new ATOM 142 N ASP A 10 -6.096 12.693 -4.567 1.00 0.00 N ATOM 143 CA ASP A 10 -6.764 12.540 -5.874 1.00 0.00 C ATOM 144 C ASP A 10 -8.206 12.993 -5.563 1.00 0.00 C ATOM 145 O ASP A 10 -8.596 14.089 -5.920 1.00 0.00 O ATOM 146 CB ASP A 10 -6.597 11.058 -6.227 1.00 0.00 C ATOM 147 CG ASP A 10 -6.059 10.966 -7.605 1.00 0.00 C ATOM 148 OD1 ASP A 10 -4.894 11.257 -7.740 1.00 0.00 O ATOM 149 OD2 ASP A 10 -6.809 10.621 -8.499 1.00 0.00 O ATOM 0 H ASP A 10 -6.083 11.856 -3.984 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.393 13.107 -6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.921 10.574 -5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.554 10.541 -6.158 1.00 0.00 H new ATOM 154 N LYS A 11 -8.949 12.164 -4.880 1.00 0.00 N ATOM 155 CA LYS A 11 -10.362 12.546 -4.537 1.00 0.00 C ATOM 156 C LYS A 11 -10.385 13.176 -3.103 1.00 0.00 C ATOM 157 O LYS A 11 -11.221 12.892 -2.271 1.00 0.00 O ATOM 158 CB LYS A 11 -11.267 11.250 -4.612 1.00 0.00 C ATOM 159 CG LYS A 11 -10.759 10.167 -5.614 1.00 0.00 C ATOM 160 CD LYS A 11 -10.436 10.759 -7.025 1.00 0.00 C ATOM 161 CE LYS A 11 -9.873 9.717 -8.008 1.00 0.00 C ATOM 162 NZ LYS A 11 -8.734 9.005 -7.382 1.00 0.00 N ATOM 0 H LYS A 11 -8.649 11.248 -4.545 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.750 13.283 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.330 10.807 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.278 11.543 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.865 9.693 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.514 9.388 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.343 11.192 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.717 11.570 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.651 9.006 -8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.548 10.207 -8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.870 9.180 -7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.600 9.351 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.931 7.984 -7.362 1.00 0.00 H new ATOM 176 N GLY A 12 -9.428 14.042 -2.867 1.00 0.00 N ATOM 177 CA GLY A 12 -9.288 14.765 -1.535 1.00 0.00 C ATOM 178 C GLY A 12 -7.954 14.686 -0.761 1.00 0.00 C ATOM 179 O GLY A 12 -7.229 15.655 -0.696 1.00 0.00 O ATOM 0 H GLY A 12 -8.714 14.292 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.500 15.819 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.070 14.389 -0.876 1.00 0.00 H new ATOM 183 N LEU A 13 -7.630 13.552 -0.213 1.00 0.00 N ATOM 184 CA LEU A 13 -6.342 13.376 0.584 1.00 0.00 C ATOM 185 C LEU A 13 -5.173 12.478 0.041 1.00 0.00 C ATOM 186 O LEU A 13 -5.308 11.723 -0.902 1.00 0.00 O ATOM 187 CB LEU A 13 -6.816 12.896 2.005 1.00 0.00 C ATOM 188 CG LEU A 13 -8.071 11.986 1.952 1.00 0.00 C ATOM 189 CD1 LEU A 13 -7.827 10.769 1.074 1.00 0.00 C ATOM 190 CD2 LEU A 13 -8.331 11.472 3.365 1.00 0.00 C ATOM 0 H LEU A 13 -8.202 12.710 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.834 14.339 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.003 12.356 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.032 13.767 2.623 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.906 12.561 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.723 10.149 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.588 11.093 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.994 10.192 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.210 10.827 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.466 10.905 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.503 12.316 4.033 1.00 0.00 H new ATOM 202 N LEU A 14 -4.015 12.557 0.646 1.00 0.00 N ATOM 203 CA LEU A 14 -2.834 11.735 0.179 1.00 0.00 C ATOM 204 C LEU A 14 -2.708 10.341 0.820 1.00 0.00 C ATOM 205 O LEU A 14 -1.775 9.980 1.498 1.00 0.00 O ATOM 206 CB LEU A 14 -1.530 12.581 0.415 1.00 0.00 C ATOM 207 CG LEU A 14 -1.408 13.143 1.839 1.00 0.00 C ATOM 208 CD1 LEU A 14 0.090 13.270 2.125 1.00 0.00 C ATOM 209 CD2 LEU A 14 -1.941 14.587 1.851 1.00 0.00 C ATOM 0 H LEU A 14 -3.826 13.157 1.449 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.992 11.522 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.661 11.958 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.510 13.408 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.943 12.510 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.236 13.667 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.559 12.289 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.543 13.945 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.859 14.997 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.356 15.197 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.986 14.592 1.541 1.00 0.00 H new ATOM 221 N VAL A 15 -3.737 9.618 0.509 1.00 0.00 N ATOM 222 CA VAL A 15 -3.943 8.201 0.960 1.00 0.00 C ATOM 223 C VAL A 15 -3.864 7.256 -0.270 1.00 0.00 C ATOM 224 O VAL A 15 -3.624 7.709 -1.375 1.00 0.00 O ATOM 225 CB VAL A 15 -5.327 8.221 1.650 1.00 0.00 C ATOM 226 CG1 VAL A 15 -5.829 6.865 2.128 1.00 0.00 C ATOM 227 CG2 VAL A 15 -5.230 9.129 2.894 1.00 0.00 C ATOM 0 H VAL A 15 -4.496 9.967 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.187 7.828 1.651 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.030 8.574 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.806 6.983 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.915 6.188 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.126 6.451 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.196 9.159 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.477 8.733 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.949 10.137 2.588 1.00 0.00 H new ATOM 237 N PHE A 16 -4.054 5.985 -0.055 1.00 0.00 N ATOM 238 CA PHE A 16 -4.014 4.965 -1.170 1.00 0.00 C ATOM 239 C PHE A 16 -5.366 4.300 -1.559 1.00 0.00 C ATOM 240 O PHE A 16 -5.852 3.393 -0.904 1.00 0.00 O ATOM 241 CB PHE A 16 -3.017 3.868 -0.763 1.00 0.00 C ATOM 242 CG PHE A 16 -1.549 4.197 -1.062 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.076 5.359 -1.640 1.00 0.00 C ATOM 244 CD2 PHE A 16 -0.652 3.228 -0.722 1.00 0.00 C ATOM 245 CE1 PHE A 16 0.281 5.518 -1.864 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.687 3.380 -0.939 1.00 0.00 C ATOM 247 CZ PHE A 16 1.158 4.520 -1.507 1.00 0.00 C ATOM 0 H PHE A 16 -4.241 5.589 0.866 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.721 5.518 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.123 3.677 0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.281 2.945 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.765 6.143 -1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.011 2.316 -0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.651 6.425 -2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.372 2.593 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.217 4.643 -1.678 1.00 0.00 H new ATOM 257 N GLU A 17 -5.947 4.756 -2.626 1.00 0.00 N ATOM 258 CA GLU A 17 -7.248 4.177 -3.083 1.00 0.00 C ATOM 259 C GLU A 17 -6.976 3.203 -4.279 1.00 0.00 C ATOM 260 O GLU A 17 -5.991 3.337 -4.982 1.00 0.00 O ATOM 261 CB GLU A 17 -8.151 5.378 -3.480 1.00 0.00 C ATOM 262 CG GLU A 17 -7.575 6.097 -4.750 1.00 0.00 C ATOM 263 CD GLU A 17 -8.425 7.273 -5.157 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.385 7.032 -5.862 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.112 8.384 -4.778 1.00 0.00 O ATOM 0 H GLU A 17 -5.581 5.508 -3.209 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.749 3.594 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.164 5.029 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.214 6.084 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.559 6.435 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.516 5.387 -5.575 1.00 0.00 H new ATOM 272 N PRO A 18 -7.820 2.225 -4.496 1.00 0.00 N ATOM 273 CA PRO A 18 -8.714 1.572 -3.486 1.00 0.00 C ATOM 274 C PRO A 18 -8.008 0.474 -2.608 1.00 0.00 C ATOM 275 O PRO A 18 -8.146 -0.693 -2.899 1.00 0.00 O ATOM 276 CB PRO A 18 -9.837 1.044 -4.373 1.00 0.00 C ATOM 277 CG PRO A 18 -9.023 0.526 -5.598 1.00 0.00 C ATOM 278 CD PRO A 18 -7.993 1.650 -5.856 1.00 0.00 C ATOM 0 HA PRO A 18 -9.059 2.252 -2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.407 0.250 -3.890 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.547 1.824 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.534 -0.423 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.664 0.363 -6.465 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.057 1.262 -6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.363 2.388 -6.567 1.00 0.00 H new ATOM 286 N ALA A 19 -7.288 0.873 -1.585 1.00 0.00 N ATOM 287 CA ALA A 19 -6.526 0.001 -0.603 1.00 0.00 C ATOM 288 C ALA A 19 -6.349 -1.543 -0.809 1.00 0.00 C ATOM 289 O ALA A 19 -5.276 -2.069 -0.606 1.00 0.00 O ATOM 290 CB ALA A 19 -7.188 0.295 0.763 1.00 0.00 C ATOM 0 H ALA A 19 -7.186 1.864 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.482 0.283 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.699 -0.295 1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.087 1.355 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.245 0.032 0.719 1.00 0.00 H new ATOM 296 N LYS A 20 -7.393 -2.211 -1.190 1.00 0.00 N ATOM 297 CA LYS A 20 -7.409 -3.701 -1.435 1.00 0.00 C ATOM 298 C LYS A 20 -7.513 -3.985 -2.983 1.00 0.00 C ATOM 299 O LYS A 20 -8.562 -4.222 -3.551 1.00 0.00 O ATOM 300 CB LYS A 20 -8.624 -4.193 -0.509 1.00 0.00 C ATOM 301 CG LYS A 20 -9.805 -4.989 -1.164 1.00 0.00 C ATOM 302 CD LYS A 20 -9.661 -6.557 -1.116 1.00 0.00 C ATOM 303 CE LYS A 20 -8.365 -7.186 -1.633 1.00 0.00 C ATOM 304 NZ LYS A 20 -8.141 -6.744 -3.040 1.00 0.00 N ATOM 0 H LYS A 20 -8.297 -1.769 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.509 -4.255 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.204 -4.817 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.048 -3.312 -0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.732 -4.709 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.898 -4.680 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.792 -6.871 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.487 -6.984 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.525 -6.888 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.428 -8.273 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.165 -6.401 -3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.298 -7.545 -3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.804 -5.978 -3.273 1.00 0.00 H new ATOM 318 N LEU A 21 -6.406 -4.004 -3.675 1.00 0.00 N ATOM 319 CA LEU A 21 -6.443 -4.258 -5.176 1.00 0.00 C ATOM 320 C LEU A 21 -6.191 -5.733 -5.605 1.00 0.00 C ATOM 321 O LEU A 21 -5.205 -6.345 -5.263 1.00 0.00 O ATOM 322 CB LEU A 21 -5.367 -3.348 -5.844 1.00 0.00 C ATOM 323 CG LEU A 21 -5.647 -3.010 -7.356 1.00 0.00 C ATOM 324 CD1 LEU A 21 -4.320 -2.639 -8.024 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.283 -4.144 -8.175 1.00 0.00 C ATOM 0 H LEU A 21 -5.475 -3.858 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.458 -4.030 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.298 -2.416 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.396 -3.838 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.371 -2.195 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.495 -2.401 -9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.890 -1.772 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.629 -3.479 -7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.435 -3.810 -9.202 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.623 -5.011 -8.169 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.243 -4.416 -7.736 1.00 0.00 H new ATOM 337 N THR A 22 -7.078 -6.320 -6.346 1.00 0.00 N ATOM 338 CA THR A 22 -6.879 -7.753 -6.806 1.00 0.00 C ATOM 339 C THR A 22 -6.566 -7.632 -8.310 1.00 0.00 C ATOM 340 O THR A 22 -7.436 -7.663 -9.151 1.00 0.00 O ATOM 341 CB THR A 22 -8.170 -8.580 -6.602 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.422 -8.558 -5.197 1.00 0.00 O ATOM 343 CG2 THR A 22 -7.889 -10.069 -6.791 1.00 0.00 C ATOM 0 H THR A 22 -7.943 -5.884 -6.665 1.00 0.00 H new ATOM 0 HA THR A 22 -6.091 -8.257 -6.247 1.00 0.00 H new ATOM 0 HB THR A 22 -8.940 -8.191 -7.268 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.236 -9.068 -5.003 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.809 -10.634 -6.644 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.514 -10.243 -7.799 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.143 -10.394 -6.065 1.00 0.00 H new ATOM 351 N ILE A 23 -5.298 -7.488 -8.583 1.00 0.00 N ATOM 352 CA ILE A 23 -4.755 -7.330 -9.985 1.00 0.00 C ATOM 353 C ILE A 23 -4.390 -8.568 -10.811 1.00 0.00 C ATOM 354 O ILE A 23 -5.147 -9.194 -11.517 1.00 0.00 O ATOM 355 CB ILE A 23 -3.459 -6.313 -9.901 1.00 0.00 C ATOM 356 CG1 ILE A 23 -3.008 -6.123 -8.493 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.787 -4.987 -10.562 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.601 -5.508 -8.439 1.00 0.00 C ATOM 0 H ILE A 23 -4.575 -7.471 -7.864 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.607 -6.951 -10.548 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.631 -6.769 -10.444 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.711 -5.477 -7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.009 -7.082 -7.975 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.923 -4.326 -10.499 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.040 -5.155 -11.609 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.634 -4.527 -10.053 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.299 -5.381 -7.399 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.896 -6.168 -8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.609 -4.538 -8.935 1.00 0.00 H new ATOM 370 N LYS A 24 -3.159 -8.842 -10.645 1.00 0.00 N ATOM 371 CA LYS A 24 -2.425 -9.961 -11.277 1.00 0.00 C ATOM 372 C LYS A 24 -3.051 -11.356 -11.025 1.00 0.00 C ATOM 373 O LYS A 24 -3.198 -11.761 -9.900 1.00 0.00 O ATOM 374 CB LYS A 24 -0.969 -9.795 -10.729 1.00 0.00 C ATOM 375 CG LYS A 24 -0.298 -8.609 -11.437 1.00 0.00 C ATOM 376 CD LYS A 24 0.670 -7.880 -10.477 1.00 0.00 C ATOM 377 CE LYS A 24 1.249 -6.621 -11.139 1.00 0.00 C ATOM 378 NZ LYS A 24 2.058 -5.867 -10.122 1.00 0.00 N ATOM 0 H LYS A 24 -2.563 -8.283 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.461 -9.917 -12.366 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.989 -9.628 -9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.397 -10.707 -10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.247 -8.962 -12.313 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.058 -7.914 -11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.145 -7.606 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.480 -8.551 -10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.873 -6.895 -11.990 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.445 -5.993 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.837 -5.369 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.450 -5.176 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.448 -6.533 -9.425 1.00 0.00 H new ATOM 392 N PRO A 25 -3.402 -12.048 -12.070 1.00 0.00 N ATOM 393 CA PRO A 25 -2.861 -13.409 -12.365 1.00 0.00 C ATOM 394 C PRO A 25 -1.662 -13.292 -13.346 1.00 0.00 C ATOM 395 O PRO A 25 -1.543 -13.997 -14.326 1.00 0.00 O ATOM 396 CB PRO A 25 -4.112 -14.078 -12.897 1.00 0.00 C ATOM 397 CG PRO A 25 -4.700 -12.949 -13.818 1.00 0.00 C ATOM 398 CD PRO A 25 -4.418 -11.611 -13.070 1.00 0.00 C ATOM 0 HA PRO A 25 -2.426 -13.979 -11.544 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.886 -14.987 -13.455 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.800 -14.357 -12.099 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.226 -12.957 -14.800 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.769 -13.091 -13.979 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.034 -10.839 -13.737 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.313 -11.207 -12.598 1.00 0.00 H new ATOM 406 N GLY A 26 -0.800 -12.369 -13.016 1.00 0.00 N ATOM 407 CA GLY A 26 0.440 -12.083 -13.844 1.00 0.00 C ATOM 408 C GLY A 26 0.169 -10.909 -14.795 1.00 0.00 C ATOM 409 O GLY A 26 0.583 -10.910 -15.933 1.00 0.00 O ATOM 0 H GLY A 26 -0.893 -11.779 -12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.279 -11.847 -13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.720 -12.968 -14.415 1.00 0.00 H new ATOM 413 N ASP A 27 -0.525 -9.942 -14.266 1.00 0.00 N ATOM 414 CA ASP A 27 -0.906 -8.709 -15.029 1.00 0.00 C ATOM 415 C ASP A 27 -0.154 -7.399 -14.657 1.00 0.00 C ATOM 416 O ASP A 27 0.492 -7.280 -13.633 1.00 0.00 O ATOM 417 CB ASP A 27 -2.446 -8.578 -14.810 1.00 0.00 C ATOM 418 CG ASP A 27 -3.045 -7.507 -15.669 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.614 -7.330 -16.787 1.00 0.00 O ATOM 420 OD2 ASP A 27 -3.954 -6.866 -15.197 1.00 0.00 O ATOM 0 H ASP A 27 -0.858 -9.951 -13.302 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.614 -8.831 -16.072 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.926 -9.531 -15.031 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.646 -8.356 -13.762 1.00 0.00 H new ATOM 425 N THR A 28 -0.276 -6.420 -15.496 1.00 0.00 N ATOM 426 CA THR A 28 0.387 -5.102 -15.266 1.00 0.00 C ATOM 427 C THR A 28 -0.537 -4.122 -14.568 1.00 0.00 C ATOM 428 O THR A 28 -1.713 -4.066 -14.847 1.00 0.00 O ATOM 429 CB THR A 28 0.822 -4.471 -16.586 1.00 0.00 C ATOM 430 OG1 THR A 28 1.585 -5.428 -17.292 1.00 0.00 O ATOM 431 CG2 THR A 28 1.950 -3.474 -16.367 1.00 0.00 C ATOM 0 H THR A 28 -0.821 -6.473 -16.357 1.00 0.00 H new ATOM 0 HA THR A 28 1.254 -5.301 -14.636 1.00 0.00 H new ATOM 0 HB THR A 28 -0.083 -4.076 -17.048 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.877 -5.048 -18.147 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.242 -3.039 -17.323 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.612 -2.684 -15.696 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.806 -3.984 -15.925 1.00 0.00 H new ATOM 439 N VAL A 29 0.012 -3.415 -13.629 1.00 0.00 N ATOM 440 CA VAL A 29 -0.706 -2.372 -12.834 1.00 0.00 C ATOM 441 C VAL A 29 0.080 -1.029 -12.886 1.00 0.00 C ATOM 442 O VAL A 29 1.300 -1.096 -12.871 1.00 0.00 O ATOM 443 CB VAL A 29 -0.834 -2.882 -11.385 1.00 0.00 C ATOM 444 CG1 VAL A 29 0.470 -2.823 -10.655 1.00 0.00 C ATOM 445 CG2 VAL A 29 -1.848 -2.013 -10.610 1.00 0.00 C ATOM 0 H VAL A 29 0.990 -3.522 -13.361 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.698 -2.190 -13.246 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.165 -3.919 -11.441 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.335 -3.191 -9.638 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.204 -3.442 -11.171 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.823 -1.792 -10.623 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.934 -2.379 -9.587 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.506 -0.978 -10.598 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.821 -2.068 -11.097 1.00 0.00 H new ATOM 455 N GLU A 30 -0.582 0.093 -12.923 1.00 0.00 N ATOM 456 CA GLU A 30 0.116 1.407 -12.979 1.00 0.00 C ATOM 457 C GLU A 30 -0.075 2.317 -11.734 1.00 0.00 C ATOM 458 O GLU A 30 -1.198 2.578 -11.334 1.00 0.00 O ATOM 459 CB GLU A 30 -0.411 2.085 -14.241 1.00 0.00 C ATOM 460 CG GLU A 30 0.588 3.196 -14.691 1.00 0.00 C ATOM 461 CD GLU A 30 1.871 2.616 -15.267 1.00 0.00 C ATOM 462 OE1 GLU A 30 1.835 1.462 -15.655 1.00 0.00 O ATOM 463 OE2 GLU A 30 2.796 3.400 -15.273 1.00 0.00 O ATOM 0 H GLU A 30 -1.600 0.155 -12.917 1.00 0.00 H new ATOM 0 HA GLU A 30 1.193 1.238 -12.993 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.536 1.350 -15.036 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.393 2.519 -14.051 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.111 3.831 -15.438 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.829 3.832 -13.839 1.00 0.00 H new ATOM 470 N PHE A 31 0.984 2.796 -11.136 1.00 0.00 N ATOM 471 CA PHE A 31 0.836 3.692 -9.926 1.00 0.00 C ATOM 472 C PHE A 31 1.243 5.136 -10.349 1.00 0.00 C ATOM 473 O PHE A 31 2.385 5.385 -10.682 1.00 0.00 O ATOM 474 CB PHE A 31 1.767 3.197 -8.776 1.00 0.00 C ATOM 475 CG PHE A 31 1.690 1.687 -8.490 1.00 0.00 C ATOM 476 CD1 PHE A 31 0.497 0.997 -8.495 1.00 0.00 C ATOM 477 CD2 PHE A 31 2.851 0.998 -8.202 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.468 -0.356 -8.215 1.00 0.00 C ATOM 479 CE2 PHE A 31 2.828 -0.350 -7.922 1.00 0.00 C ATOM 480 CZ PHE A 31 1.635 -1.031 -7.928 1.00 0.00 C ATOM 0 H PHE A 31 1.945 2.613 -11.423 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.193 3.674 -9.566 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.797 3.454 -9.025 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.515 3.739 -7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.422 1.518 -8.719 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.794 1.525 -8.196 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.473 -0.887 -8.221 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.747 -0.871 -7.698 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.612 -2.088 -7.709 1.00 0.00 H new ATOM 490 N LEU A 32 0.303 6.039 -10.333 1.00 0.00 N ATOM 491 CA LEU A 32 0.503 7.476 -10.714 1.00 0.00 C ATOM 492 C LEU A 32 0.498 8.550 -9.576 1.00 0.00 C ATOM 493 O LEU A 32 -0.436 8.657 -8.803 1.00 0.00 O ATOM 494 CB LEU A 32 -0.610 7.717 -11.779 1.00 0.00 C ATOM 495 CG LEU A 32 -0.757 9.186 -12.203 1.00 0.00 C ATOM 496 CD1 LEU A 32 0.544 9.688 -12.800 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.792 9.246 -13.328 1.00 0.00 C ATOM 0 H LEU A 32 -0.655 5.828 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 32 1.523 7.616 -11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.392 7.114 -12.661 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.562 7.367 -11.381 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.039 9.782 -11.335 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.430 10.730 -13.097 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.339 9.607 -12.059 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.799 9.087 -13.673 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.919 10.279 -13.651 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.451 8.642 -14.169 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.745 8.860 -12.967 1.00 0.00 H new ATOM 509 N ASN A 33 1.550 9.323 -9.522 1.00 0.00 N ATOM 510 CA ASN A 33 1.730 10.415 -8.502 1.00 0.00 C ATOM 511 C ASN A 33 0.960 11.713 -8.848 1.00 0.00 C ATOM 512 O ASN A 33 1.156 12.316 -9.884 1.00 0.00 O ATOM 513 CB ASN A 33 3.254 10.621 -8.413 1.00 0.00 C ATOM 514 CG ASN A 33 3.889 9.331 -7.916 1.00 0.00 C ATOM 515 OD1 ASN A 33 3.672 8.249 -8.407 1.00 0.00 O ATOM 516 ND2 ASN A 33 4.701 9.338 -6.927 1.00 0.00 N ATOM 0 H ASN A 33 2.332 9.242 -10.172 1.00 0.00 H new ATOM 0 HA ASN A 33 1.305 10.133 -7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.657 10.890 -9.389 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.486 11.443 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.118 8.465 -6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.931 10.216 -6.462 1.00 0.00 H new ATOM 523 N ASN A 34 0.103 12.092 -7.937 1.00 0.00 N ATOM 524 CA ASN A 34 -0.754 13.325 -8.088 1.00 0.00 C ATOM 525 C ASN A 34 -0.284 14.636 -7.343 1.00 0.00 C ATOM 526 O ASN A 34 0.451 15.425 -7.899 1.00 0.00 O ATOM 527 CB ASN A 34 -2.136 12.779 -7.642 1.00 0.00 C ATOM 528 CG ASN A 34 -3.296 13.663 -7.990 1.00 0.00 C ATOM 529 OD1 ASN A 34 -3.707 13.776 -9.124 1.00 0.00 O ATOM 530 ND2 ASN A 34 -3.885 14.317 -7.061 1.00 0.00 N ATOM 0 H ASN A 34 -0.049 11.587 -7.064 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.724 13.725 -9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.291 11.801 -8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.122 12.628 -6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.680 14.915 -7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.559 14.240 -6.098 1.00 0.00 H new ATOM 537 N LYS A 35 -0.698 14.850 -6.121 1.00 0.00 N ATOM 538 CA LYS A 35 -0.298 16.082 -5.332 1.00 0.00 C ATOM 539 C LYS A 35 0.574 15.723 -4.087 1.00 0.00 C ATOM 540 O LYS A 35 0.984 14.596 -3.917 1.00 0.00 O ATOM 541 CB LYS A 35 -1.578 16.799 -4.852 1.00 0.00 C ATOM 542 CG LYS A 35 -2.580 17.135 -5.981 1.00 0.00 C ATOM 543 CD LYS A 35 -3.932 17.302 -5.227 1.00 0.00 C ATOM 544 CE LYS A 35 -5.142 17.449 -6.125 1.00 0.00 C ATOM 545 NZ LYS A 35 -6.311 17.093 -5.262 1.00 0.00 N ATOM 0 H LYS A 35 -1.313 14.213 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 35 0.295 16.723 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.077 16.171 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.295 17.722 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.299 18.046 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.630 16.339 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.080 16.438 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.867 18.178 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.229 18.466 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.074 16.789 -6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.089 16.744 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.032 16.352 -4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.626 17.935 -4.740 1.00 0.00 H new ATOM 559 N VAL A 36 0.813 16.698 -3.246 1.00 0.00 N ATOM 560 CA VAL A 36 1.639 16.548 -1.974 1.00 0.00 C ATOM 561 C VAL A 36 2.664 15.355 -1.929 1.00 0.00 C ATOM 562 O VAL A 36 2.399 14.318 -1.351 1.00 0.00 O ATOM 563 CB VAL A 36 0.622 16.434 -0.789 1.00 0.00 C ATOM 564 CG1 VAL A 36 1.364 16.549 0.555 1.00 0.00 C ATOM 565 CG2 VAL A 36 -0.412 17.573 -0.832 1.00 0.00 C ATOM 0 H VAL A 36 0.457 17.644 -3.385 1.00 0.00 H new ATOM 0 HA VAL A 36 2.285 17.424 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 36 0.123 15.470 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.649 16.469 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.098 15.748 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.871 17.512 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.105 17.467 0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.100 18.532 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.965 17.527 -1.770 1.00 0.00 H new ATOM 575 N PRO A 37 3.810 15.538 -2.549 1.00 0.00 N ATOM 576 CA PRO A 37 4.832 14.448 -2.704 1.00 0.00 C ATOM 577 C PRO A 37 5.690 14.080 -1.434 1.00 0.00 C ATOM 578 O PRO A 37 5.589 14.694 -0.389 1.00 0.00 O ATOM 579 CB PRO A 37 5.653 14.975 -3.887 1.00 0.00 C ATOM 580 CG PRO A 37 5.710 16.489 -3.558 1.00 0.00 C ATOM 581 CD PRO A 37 4.255 16.817 -3.179 1.00 0.00 C ATOM 0 HA PRO A 37 4.367 13.475 -2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.645 14.526 -3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.170 14.779 -4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.397 16.698 -2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.046 17.075 -4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.192 17.657 -2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.653 17.075 -4.050 1.00 0.00 H new ATOM 589 N PRO A 38 6.520 13.062 -1.546 1.00 0.00 N ATOM 590 CA PRO A 38 6.580 12.073 -2.669 1.00 0.00 C ATOM 591 C PRO A 38 5.805 10.743 -2.400 1.00 0.00 C ATOM 592 O PRO A 38 5.630 10.283 -1.290 1.00 0.00 O ATOM 593 CB PRO A 38 8.077 11.926 -2.820 1.00 0.00 C ATOM 594 CG PRO A 38 8.514 11.796 -1.320 1.00 0.00 C ATOM 595 CD PRO A 38 7.577 12.774 -0.537 1.00 0.00 C ATOM 0 HA PRO A 38 6.076 12.393 -3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.349 11.049 -3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.529 12.789 -3.309 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.401 10.772 -0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.562 12.065 -1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.168 12.315 0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.100 13.678 -0.224 1.00 0.00 H new ATOM 603 N HIS A 39 5.346 10.132 -3.449 1.00 0.00 N ATOM 604 CA HIS A 39 4.586 8.841 -3.296 1.00 0.00 C ATOM 605 C HIS A 39 5.222 7.632 -3.981 1.00 0.00 C ATOM 606 O HIS A 39 4.875 7.267 -5.084 1.00 0.00 O ATOM 607 CB HIS A 39 3.193 9.074 -3.829 1.00 0.00 C ATOM 608 CG HIS A 39 2.606 10.294 -3.145 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.407 10.425 -1.833 1.00 0.00 N ATOM 610 CD2 HIS A 39 2.208 11.429 -3.809 1.00 0.00 C ATOM 611 CE1 HIS A 39 1.892 11.635 -1.725 1.00 0.00 C ATOM 612 NE2 HIS A 39 1.787 12.198 -2.872 1.00 0.00 N ATOM 0 H HIS A 39 5.457 10.459 -4.409 1.00 0.00 H new ATOM 0 HA HIS A 39 4.588 8.582 -2.237 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.222 9.224 -4.908 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.567 8.201 -3.645 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.242 11.627 -4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.597 12.092 -0.792 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.416 13.137 -3.021 1.00 0.00 H new ATOM 620 N ASN A 40 6.154 7.044 -3.305 1.00 0.00 N ATOM 621 CA ASN A 40 6.848 5.848 -3.877 1.00 0.00 C ATOM 622 C ASN A 40 6.332 4.627 -3.096 1.00 0.00 C ATOM 623 O ASN A 40 5.900 4.800 -1.974 1.00 0.00 O ATOM 624 CB ASN A 40 8.358 6.034 -3.669 1.00 0.00 C ATOM 625 CG ASN A 40 9.081 5.233 -4.718 1.00 0.00 C ATOM 626 OD1 ASN A 40 8.848 4.072 -4.928 1.00 0.00 O ATOM 627 ND2 ASN A 40 9.988 5.776 -5.442 1.00 0.00 N ATOM 0 H ASN A 40 6.473 7.331 -2.380 1.00 0.00 H new ATOM 0 HA ASN A 40 6.657 5.716 -4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.625 7.088 -3.745 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.648 5.703 -2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.471 5.226 -6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.227 6.758 -5.308 1.00 0.00 H new ATOM 634 N VAL A 41 6.376 3.460 -3.665 1.00 0.00 N ATOM 635 CA VAL A 41 5.878 2.278 -2.894 1.00 0.00 C ATOM 636 C VAL A 41 6.952 1.278 -2.546 1.00 0.00 C ATOM 637 O VAL A 41 7.578 0.621 -3.361 1.00 0.00 O ATOM 638 CB VAL A 41 4.795 1.477 -3.644 1.00 0.00 C ATOM 639 CG1 VAL A 41 3.512 2.309 -3.741 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.212 1.136 -5.092 1.00 0.00 C ATOM 0 H VAL A 41 6.724 3.268 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 41 5.477 2.738 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 41 4.647 0.555 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.749 1.740 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.156 2.547 -2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.717 3.233 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.415 0.572 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.392 2.058 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.123 0.538 -5.077 1.00 0.00 H new ATOM 650 N VAL A 42 7.143 1.172 -1.283 1.00 0.00 N ATOM 651 CA VAL A 42 8.155 0.226 -0.803 1.00 0.00 C ATOM 652 C VAL A 42 7.239 -0.949 -0.405 1.00 0.00 C ATOM 653 O VAL A 42 6.191 -0.775 0.186 1.00 0.00 O ATOM 654 CB VAL A 42 8.913 0.908 0.359 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.303 0.285 0.359 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.122 2.410 0.041 1.00 0.00 C ATOM 0 H VAL A 42 6.646 1.696 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 42 8.945 -0.097 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 42 8.368 0.791 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.898 0.723 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.220 -0.791 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.787 0.476 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.657 2.885 0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.703 2.510 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.153 2.893 -0.089 1.00 0.00 H new ATOM 666 N PHE A 43 7.633 -2.137 -0.743 1.00 0.00 N ATOM 667 CA PHE A 43 6.796 -3.314 -0.401 1.00 0.00 C ATOM 668 C PHE A 43 7.136 -3.908 0.978 1.00 0.00 C ATOM 669 O PHE A 43 8.235 -3.809 1.505 1.00 0.00 O ATOM 670 CB PHE A 43 6.948 -4.346 -1.560 1.00 0.00 C ATOM 671 CG PHE A 43 5.892 -4.050 -2.642 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.977 -2.924 -3.435 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.829 -4.913 -2.834 1.00 0.00 C ATOM 674 CE1 PHE A 43 5.025 -2.660 -4.393 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.874 -4.653 -3.792 1.00 0.00 C ATOM 676 CZ PHE A 43 3.972 -3.525 -4.575 1.00 0.00 C ATOM 0 H PHE A 43 8.498 -2.346 -1.241 1.00 0.00 H new ATOM 0 HA PHE A 43 5.753 -3.013 -0.309 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.949 -4.287 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.822 -5.360 -1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.802 -2.240 -3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.746 -5.802 -2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.105 -1.772 -5.003 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.048 -5.335 -3.929 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.226 -3.321 -5.328 1.00 0.00 H new ATOM 686 N ASP A 44 6.106 -4.501 1.493 1.00 0.00 N ATOM 687 CA ASP A 44 6.098 -5.166 2.833 1.00 0.00 C ATOM 688 C ASP A 44 6.448 -6.683 3.061 1.00 0.00 C ATOM 689 O ASP A 44 6.232 -7.572 2.262 1.00 0.00 O ATOM 690 CB ASP A 44 4.681 -4.749 3.315 1.00 0.00 C ATOM 691 CG ASP A 44 3.862 -5.925 3.753 1.00 0.00 C ATOM 692 OD1 ASP A 44 4.154 -6.320 4.850 1.00 0.00 O ATOM 693 OD2 ASP A 44 3.015 -6.366 3.003 1.00 0.00 O ATOM 0 H ASP A 44 5.208 -4.558 1.012 1.00 0.00 H new ATOM 0 HA ASP A 44 6.974 -4.845 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.773 -4.045 4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.164 -4.228 2.509 1.00 0.00 H new ATOM 698 N ALA A 45 6.995 -6.863 4.235 1.00 0.00 N ATOM 699 CA ALA A 45 7.465 -8.157 4.815 1.00 0.00 C ATOM 700 C ALA A 45 6.676 -8.633 6.073 1.00 0.00 C ATOM 701 O ALA A 45 6.924 -9.656 6.691 1.00 0.00 O ATOM 702 CB ALA A 45 8.922 -7.939 5.155 1.00 0.00 C ATOM 0 H ALA A 45 7.147 -6.082 4.873 1.00 0.00 H new ATOM 0 HA ALA A 45 7.303 -8.953 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.335 -8.850 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.473 -7.685 4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.010 -7.125 5.874 1.00 0.00 H new ATOM 708 N ALA A 46 5.702 -7.871 6.442 1.00 0.00 N ATOM 709 CA ALA A 46 4.861 -8.176 7.631 1.00 0.00 C ATOM 710 C ALA A 46 3.467 -8.763 7.312 1.00 0.00 C ATOM 711 O ALA A 46 3.131 -9.823 7.814 1.00 0.00 O ATOM 712 CB ALA A 46 4.764 -6.849 8.410 1.00 0.00 C ATOM 0 H ALA A 46 5.439 -7.015 5.954 1.00 0.00 H new ATOM 0 HA ALA A 46 5.325 -8.973 8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.157 -6.995 9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.763 -6.523 8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.303 -6.089 7.779 1.00 0.00 H new ATOM 718 N LEU A 47 2.768 -8.061 6.481 1.00 0.00 N ATOM 719 CA LEU A 47 1.378 -8.381 6.016 1.00 0.00 C ATOM 720 C LEU A 47 1.215 -9.055 4.621 1.00 0.00 C ATOM 721 O LEU A 47 0.278 -8.729 3.909 1.00 0.00 O ATOM 722 CB LEU A 47 0.614 -7.019 6.056 1.00 0.00 C ATOM 723 CG LEU A 47 1.103 -6.093 7.193 1.00 0.00 C ATOM 724 CD1 LEU A 47 0.375 -4.768 7.081 1.00 0.00 C ATOM 725 CD2 LEU A 47 0.804 -6.714 8.549 1.00 0.00 C ATOM 0 H LEU A 47 3.130 -7.203 6.065 1.00 0.00 H new ATOM 0 HA LEU A 47 0.985 -9.152 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.737 -6.510 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.452 -7.209 6.181 1.00 0.00 H new ATOM 0 HG LEU A 47 2.180 -5.949 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.708 -4.101 7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.591 -4.315 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.698 -4.934 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.155 -6.050 9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.271 -6.864 8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.314 -7.674 8.630 1.00 0.00 H new ATOM 737 N ASN A 48 2.083 -9.968 4.264 1.00 0.00 N ATOM 738 CA ASN A 48 1.957 -10.640 2.924 1.00 0.00 C ATOM 739 C ASN A 48 1.786 -12.197 3.013 1.00 0.00 C ATOM 740 O ASN A 48 2.302 -12.835 3.910 1.00 0.00 O ATOM 741 CB ASN A 48 3.227 -10.203 2.097 1.00 0.00 C ATOM 742 CG ASN A 48 4.530 -10.814 2.564 1.00 0.00 C ATOM 743 OD1 ASN A 48 4.729 -12.000 2.582 1.00 0.00 O ATOM 744 ND2 ASN A 48 5.497 -10.073 2.953 1.00 0.00 N ATOM 0 H ASN A 48 2.870 -10.279 4.834 1.00 0.00 H new ATOM 0 HA ASN A 48 1.040 -10.324 2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.071 -10.469 1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.315 -9.117 2.140 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.374 -10.496 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.391 -9.059 2.961 1.00 0.00 H new ATOM 751 N PRO A 49 1.052 -12.749 2.066 1.00 0.00 N ATOM 752 CA PRO A 49 0.532 -14.161 2.123 1.00 0.00 C ATOM 753 C PRO A 49 1.648 -15.217 2.200 1.00 0.00 C ATOM 754 O PRO A 49 1.639 -16.107 3.023 1.00 0.00 O ATOM 755 CB PRO A 49 -0.339 -14.256 0.857 1.00 0.00 C ATOM 756 CG PRO A 49 0.410 -13.295 -0.095 1.00 0.00 C ATOM 757 CD PRO A 49 0.635 -12.086 0.797 1.00 0.00 C ATOM 0 HA PRO A 49 -0.034 -14.373 3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.385 -15.272 0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.366 -13.938 1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.348 -13.721 -0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.182 -13.048 -0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.405 -11.421 0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.269 -11.489 0.920 1.00 0.00 H new ATOM 765 N ALA A 50 2.596 -15.077 1.322 1.00 0.00 N ATOM 766 CA ALA A 50 3.752 -16.020 1.266 1.00 0.00 C ATOM 767 C ALA A 50 4.907 -15.466 2.139 1.00 0.00 C ATOM 768 O ALA A 50 6.058 -15.516 1.761 1.00 0.00 O ATOM 769 CB ALA A 50 4.115 -16.129 -0.230 1.00 0.00 C ATOM 0 H ALA A 50 2.622 -14.334 0.624 1.00 0.00 H new ATOM 0 HA ALA A 50 3.530 -17.010 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.959 -16.808 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.259 -16.512 -0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.384 -15.144 -0.612 1.00 0.00 H new ATOM 775 N LYS A 51 4.504 -14.963 3.276 1.00 0.00 N ATOM 776 CA LYS A 51 5.387 -14.355 4.327 1.00 0.00 C ATOM 777 C LYS A 51 6.891 -14.174 3.945 1.00 0.00 C ATOM 778 O LYS A 51 7.811 -14.663 4.569 1.00 0.00 O ATOM 779 CB LYS A 51 5.157 -15.268 5.575 1.00 0.00 C ATOM 780 CG LYS A 51 5.813 -14.683 6.841 1.00 0.00 C ATOM 781 CD LYS A 51 5.098 -13.348 7.180 1.00 0.00 C ATOM 782 CE LYS A 51 5.910 -12.592 8.179 1.00 0.00 C ATOM 783 NZ LYS A 51 5.276 -11.249 8.249 1.00 0.00 N ATOM 0 H LYS A 51 3.519 -14.948 3.539 1.00 0.00 H new ATOM 0 HA LYS A 51 5.116 -13.314 4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.087 -15.390 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.564 -16.260 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.727 -15.383 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.877 -14.514 6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.967 -12.753 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.103 -13.546 7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.900 -13.085 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.952 -12.521 7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.348 -10.881 9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.762 -10.601 7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.274 -11.324 7.981 1.00 0.00 H new ATOM 797 N SER A 52 7.062 -13.418 2.904 1.00 0.00 N ATOM 798 CA SER A 52 8.421 -13.102 2.333 1.00 0.00 C ATOM 799 C SER A 52 9.106 -11.816 2.825 1.00 0.00 C ATOM 800 O SER A 52 8.480 -10.933 3.383 1.00 0.00 O ATOM 801 CB SER A 52 8.294 -12.991 0.804 1.00 0.00 C ATOM 802 OG SER A 52 7.617 -11.739 0.596 1.00 0.00 O ATOM 0 H SER A 52 6.292 -12.983 2.396 1.00 0.00 H new ATOM 0 HA SER A 52 9.052 -13.921 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.271 -13.000 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.726 -13.824 0.390 1.00 0.00 H new ATOM 0 HG SER A 52 6.824 -11.885 0.040 1.00 0.00 H new ATOM 808 N ALA A 53 10.378 -11.804 2.558 1.00 0.00 N ATOM 809 CA ALA A 53 11.348 -10.700 2.882 1.00 0.00 C ATOM 810 C ALA A 53 11.864 -10.340 1.455 1.00 0.00 C ATOM 811 O ALA A 53 11.834 -9.219 0.980 1.00 0.00 O ATOM 812 CB ALA A 53 12.423 -11.311 3.812 1.00 0.00 C ATOM 0 H ALA A 53 10.830 -12.586 2.084 1.00 0.00 H new ATOM 0 HA ALA A 53 10.974 -9.818 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.153 -10.546 4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.949 -11.688 4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.926 -12.130 3.298 1.00 0.00 H new ATOM 818 N ASP A 54 12.328 -11.387 0.846 1.00 0.00 N ATOM 819 CA ASP A 54 12.882 -11.436 -0.534 1.00 0.00 C ATOM 820 C ASP A 54 11.931 -10.599 -1.453 1.00 0.00 C ATOM 821 O ASP A 54 12.264 -9.520 -1.908 1.00 0.00 O ATOM 822 CB ASP A 54 12.952 -12.981 -0.811 1.00 0.00 C ATOM 823 CG ASP A 54 11.632 -13.648 -0.449 1.00 0.00 C ATOM 824 OD1 ASP A 54 11.414 -13.810 0.737 1.00 0.00 O ATOM 825 OD2 ASP A 54 10.909 -13.932 -1.374 1.00 0.00 O ATOM 0 H ASP A 54 12.345 -12.301 1.299 1.00 0.00 H new ATOM 0 HA ASP A 54 13.866 -10.999 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.179 -13.158 -1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.761 -13.424 -0.231 1.00 0.00 H new ATOM 830 N LEU A 55 10.759 -11.124 -1.695 1.00 0.00 N ATOM 831 CA LEU A 55 9.732 -10.437 -2.547 1.00 0.00 C ATOM 832 C LEU A 55 9.466 -9.056 -1.887 1.00 0.00 C ATOM 833 O LEU A 55 9.688 -8.031 -2.509 1.00 0.00 O ATOM 834 CB LEU A 55 8.511 -11.405 -2.571 1.00 0.00 C ATOM 835 CG LEU A 55 7.308 -10.960 -3.439 1.00 0.00 C ATOM 836 CD1 LEU A 55 6.643 -9.705 -2.868 1.00 0.00 C ATOM 837 CD2 LEU A 55 7.786 -10.636 -4.857 1.00 0.00 C ATOM 0 H LEU A 55 10.459 -12.027 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 55 10.018 -10.236 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.851 -12.377 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.163 -11.544 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 55 6.588 -11.778 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.803 -9.419 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.285 -9.910 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.368 -8.891 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.937 -10.323 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.520 -9.831 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.242 -11.522 -5.299 1.00 0.00 H new ATOM 849 N ALA A 56 8.985 -9.077 -0.665 1.00 0.00 N ATOM 850 CA ALA A 56 8.689 -7.822 0.128 1.00 0.00 C ATOM 851 C ALA A 56 9.580 -6.616 -0.306 1.00 0.00 C ATOM 852 O ALA A 56 9.141 -5.522 -0.607 1.00 0.00 O ATOM 853 CB ALA A 56 8.901 -8.201 1.598 1.00 0.00 C ATOM 0 H ALA A 56 8.776 -9.939 -0.162 1.00 0.00 H new ATOM 0 HA ALA A 56 7.669 -7.480 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.703 -7.335 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.221 -9.009 1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.930 -8.529 1.744 1.00 0.00 H new ATOM 859 N LYS A 57 10.864 -6.818 -0.328 1.00 0.00 N ATOM 860 CA LYS A 57 11.742 -5.690 -0.755 1.00 0.00 C ATOM 861 C LYS A 57 11.985 -5.770 -2.271 1.00 0.00 C ATOM 862 O LYS A 57 12.021 -4.720 -2.876 1.00 0.00 O ATOM 863 CB LYS A 57 13.012 -5.764 0.169 1.00 0.00 C ATOM 864 CG LYS A 57 12.579 -5.269 1.640 1.00 0.00 C ATOM 865 CD LYS A 57 11.647 -3.979 1.511 1.00 0.00 C ATOM 866 CE LYS A 57 11.213 -3.237 2.767 1.00 0.00 C ATOM 867 NZ LYS A 57 10.173 -2.283 2.269 1.00 0.00 N ATOM 0 H LYS A 57 11.337 -7.686 -0.078 1.00 0.00 H new ATOM 0 HA LYS A 57 11.305 -4.700 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.398 -6.783 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.810 -5.135 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.048 -6.065 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.464 -5.035 2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.166 -3.264 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.743 -4.281 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.807 -3.918 3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.048 -2.713 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.487 -2.090 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.628 -1.394 1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.680 -2.701 1.454 1.00 0.00 H new ATOM 881 N SER A 58 12.138 -6.916 -2.871 1.00 0.00 N ATOM 882 CA SER A 58 12.352 -6.989 -4.373 1.00 0.00 C ATOM 883 C SER A 58 11.369 -6.007 -5.089 1.00 0.00 C ATOM 884 O SER A 58 11.700 -5.308 -6.024 1.00 0.00 O ATOM 885 CB SER A 58 12.093 -8.433 -4.815 1.00 0.00 C ATOM 886 OG SER A 58 12.399 -8.441 -6.207 1.00 0.00 O ATOM 0 H SER A 58 12.126 -7.819 -2.397 1.00 0.00 H new ATOM 0 HA SER A 58 13.370 -6.700 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.721 -9.135 -4.267 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.058 -8.724 -4.635 1.00 0.00 H new ATOM 0 HG SER A 58 12.258 -9.341 -6.568 1.00 0.00 H new ATOM 892 N LEU A 59 10.154 -5.981 -4.599 1.00 0.00 N ATOM 893 CA LEU A 59 9.085 -5.077 -5.174 1.00 0.00 C ATOM 894 C LEU A 59 9.213 -3.592 -4.717 1.00 0.00 C ATOM 895 O LEU A 59 8.811 -2.676 -5.410 1.00 0.00 O ATOM 896 CB LEU A 59 7.704 -5.634 -4.760 1.00 0.00 C ATOM 897 CG LEU A 59 7.429 -7.033 -5.315 1.00 0.00 C ATOM 898 CD1 LEU A 59 5.969 -7.349 -5.016 1.00 0.00 C ATOM 899 CD2 LEU A 59 7.612 -7.079 -6.829 1.00 0.00 C ATOM 0 H LEU A 59 9.844 -6.553 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 59 9.206 -5.071 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.642 -5.663 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.926 -4.953 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 59 8.120 -7.743 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.726 -8.342 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.804 -7.322 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.330 -6.610 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.409 -8.087 -7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.922 -6.379 -7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.636 -6.803 -7.080 1.00 0.00 H new ATOM 911 N SER A 60 9.745 -3.403 -3.540 1.00 0.00 N ATOM 912 CA SER A 60 9.982 -2.044 -2.898 1.00 0.00 C ATOM 913 C SER A 60 10.642 -0.916 -3.755 1.00 0.00 C ATOM 914 O SER A 60 11.742 -0.478 -3.453 1.00 0.00 O ATOM 915 CB SER A 60 10.861 -2.245 -1.621 1.00 0.00 C ATOM 916 OG SER A 60 10.048 -2.802 -0.583 1.00 0.00 O ATOM 0 H SER A 60 10.049 -4.178 -2.950 1.00 0.00 H new ATOM 0 HA SER A 60 8.972 -1.679 -2.711 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.699 -2.907 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.283 -1.293 -1.300 1.00 0.00 H new ATOM 0 HG SER A 60 9.746 -3.696 -0.848 1.00 0.00 H new ATOM 922 N HIS A 61 9.945 -0.484 -4.774 1.00 0.00 N ATOM 923 CA HIS A 61 10.391 0.598 -5.735 1.00 0.00 C ATOM 924 C HIS A 61 11.542 1.480 -5.162 1.00 0.00 C ATOM 925 O HIS A 61 12.711 1.157 -5.266 1.00 0.00 O ATOM 926 CB HIS A 61 9.122 1.425 -6.046 1.00 0.00 C ATOM 927 CG HIS A 61 8.114 0.732 -6.954 1.00 0.00 C ATOM 928 ND1 HIS A 61 7.788 -0.515 -6.994 1.00 0.00 N ATOM 929 CD2 HIS A 61 7.330 1.316 -7.918 1.00 0.00 C ATOM 930 CE1 HIS A 61 6.875 -0.695 -7.904 1.00 0.00 C ATOM 931 NE2 HIS A 61 6.560 0.424 -8.505 1.00 0.00 N ATOM 0 H HIS A 61 9.023 -0.858 -5.000 1.00 0.00 H new ATOM 0 HA HIS A 61 10.816 0.162 -6.639 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.630 1.677 -5.106 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.422 2.364 -6.510 1.00 0.00 H new ATOM 0 HD1 HIS A 61 8.184 -1.247 -6.404 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.343 2.368 -8.162 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.431 -1.652 -8.135 1.00 0.00 H new ATOM 939 N LYS A 62 11.191 2.584 -4.567 1.00 0.00 N ATOM 940 CA LYS A 62 12.187 3.524 -3.950 1.00 0.00 C ATOM 941 C LYS A 62 11.601 4.383 -2.830 1.00 0.00 C ATOM 942 O LYS A 62 10.453 4.255 -2.471 1.00 0.00 O ATOM 943 CB LYS A 62 12.810 4.454 -5.028 1.00 0.00 C ATOM 944 CG LYS A 62 14.044 3.779 -5.708 1.00 0.00 C ATOM 945 CD LYS A 62 15.161 3.318 -4.660 1.00 0.00 C ATOM 946 CE LYS A 62 15.268 1.764 -4.575 1.00 0.00 C ATOM 947 NZ LYS A 62 14.504 1.262 -3.379 1.00 0.00 N ATOM 0 H LYS A 62 10.222 2.890 -4.476 1.00 0.00 H new ATOM 0 HA LYS A 62 12.954 2.888 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.061 4.694 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.113 5.395 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.709 2.912 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.487 4.477 -6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.126 3.734 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.924 3.721 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.873 1.313 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.314 1.466 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.014 0.463 -2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.411 2.027 -2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.558 0.949 -3.678 1.00 0.00 H new ATOM 961 N GLN A 63 12.405 5.257 -2.302 1.00 0.00 N ATOM 962 CA GLN A 63 11.930 6.139 -1.193 1.00 0.00 C ATOM 963 C GLN A 63 11.562 7.598 -1.541 1.00 0.00 C ATOM 964 O GLN A 63 11.099 8.374 -0.731 1.00 0.00 O ATOM 965 CB GLN A 63 13.061 6.045 -0.124 1.00 0.00 C ATOM 966 CG GLN A 63 13.189 4.606 0.558 1.00 0.00 C ATOM 967 CD GLN A 63 13.166 3.369 -0.354 1.00 0.00 C ATOM 968 OE1 GLN A 63 13.816 3.204 -1.372 1.00 0.00 O ATOM 969 NE2 GLN A 63 12.397 2.408 -0.019 1.00 0.00 N ATOM 0 H GLN A 63 13.373 5.403 -2.587 1.00 0.00 H new ATOM 0 HA GLN A 63 10.957 5.784 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.012 6.300 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.877 6.789 0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.121 4.586 1.123 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.377 4.505 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.825 2.482 0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.354 1.566 -0.593 1.00 0.00 H new ATOM 978 N LEU A 64 11.777 7.895 -2.775 1.00 0.00 N ATOM 979 CA LEU A 64 11.501 9.267 -3.345 1.00 0.00 C ATOM 980 C LEU A 64 10.756 9.390 -4.722 1.00 0.00 C ATOM 981 O LEU A 64 11.365 9.556 -5.754 1.00 0.00 O ATOM 982 CB LEU A 64 12.890 9.999 -3.393 1.00 0.00 C ATOM 983 CG LEU A 64 13.964 9.252 -4.227 1.00 0.00 C ATOM 984 CD1 LEU A 64 15.040 10.276 -4.586 1.00 0.00 C ATOM 985 CD2 LEU A 64 14.691 8.214 -3.356 1.00 0.00 C ATOM 0 H LEU A 64 12.147 7.232 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 64 10.762 9.720 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.750 10.997 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.258 10.127 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 64 13.485 8.781 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 64 15.820 9.793 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.594 11.084 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.475 10.682 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.441 7.698 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.177 8.717 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.971 7.490 -2.975 1.00 0.00 H new ATOM 997 N LEU A 65 9.450 9.309 -4.744 1.00 0.00 N ATOM 998 CA LEU A 65 8.707 9.432 -6.068 1.00 0.00 C ATOM 999 C LEU A 65 7.888 10.766 -6.180 1.00 0.00 C ATOM 1000 O LEU A 65 6.746 10.879 -5.763 1.00 0.00 O ATOM 1001 CB LEU A 65 7.759 8.212 -6.214 1.00 0.00 C ATOM 1002 CG LEU A 65 7.568 7.759 -7.681 1.00 0.00 C ATOM 1003 CD1 LEU A 65 7.434 8.932 -8.632 1.00 0.00 C ATOM 1004 CD2 LEU A 65 8.764 6.924 -8.133 1.00 0.00 C ATOM 0 H LEU A 65 8.860 9.165 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 65 9.443 9.451 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.156 7.380 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.787 8.463 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 65 6.648 7.175 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.302 8.563 -9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.570 9.533 -8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.334 9.545 -8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.619 6.611 -9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.673 7.521 -8.059 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.855 6.044 -7.496 1.00 0.00 H new ATOM 1016 N MET A 66 8.529 11.755 -6.736 1.00 0.00 N ATOM 1017 CA MET A 66 7.918 13.123 -6.939 1.00 0.00 C ATOM 1018 C MET A 66 7.707 13.475 -8.430 1.00 0.00 C ATOM 1019 O MET A 66 8.224 14.407 -9.008 1.00 0.00 O ATOM 1020 CB MET A 66 8.854 14.050 -6.276 1.00 0.00 C ATOM 1021 CG MET A 66 8.314 15.500 -6.223 1.00 0.00 C ATOM 1022 SD MET A 66 9.327 16.688 -5.309 1.00 0.00 S ATOM 1023 CE MET A 66 10.370 17.206 -6.695 1.00 0.00 C ATOM 0 H MET A 66 9.488 11.679 -7.075 1.00 0.00 H new ATOM 0 HA MET A 66 6.915 13.177 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.049 13.701 -5.262 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.807 14.040 -6.805 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.198 15.861 -7.245 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.320 15.481 -5.777 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.086 17.953 -6.352 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.907 16.343 -7.089 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.746 17.634 -7.480 1.00 0.00 H new ATOM 1033 N SER A 67 6.901 12.646 -8.979 1.00 0.00 N ATOM 1034 CA SER A 67 6.481 12.708 -10.436 1.00 0.00 C ATOM 1035 C SER A 67 5.038 13.245 -10.728 1.00 0.00 C ATOM 1036 O SER A 67 4.192 12.521 -11.217 1.00 0.00 O ATOM 1037 CB SER A 67 6.631 11.286 -10.996 1.00 0.00 C ATOM 1038 OG SER A 67 5.711 10.549 -10.192 1.00 0.00 O ATOM 0 H SER A 67 6.476 11.871 -8.470 1.00 0.00 H new ATOM 0 HA SER A 67 7.125 13.444 -10.918 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.377 11.236 -12.055 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.650 10.913 -10.894 1.00 0.00 H new ATOM 0 HG SER A 67 5.043 10.122 -10.768 1.00 0.00 H new ATOM 1044 N PRO A 68 4.767 14.503 -10.445 1.00 0.00 N ATOM 1045 CA PRO A 68 3.381 15.090 -10.579 1.00 0.00 C ATOM 1046 C PRO A 68 2.767 14.895 -12.002 1.00 0.00 C ATOM 1047 O PRO A 68 2.947 15.710 -12.887 1.00 0.00 O ATOM 1048 CB PRO A 68 3.597 16.565 -10.167 1.00 0.00 C ATOM 1049 CG PRO A 68 5.083 16.795 -10.542 1.00 0.00 C ATOM 1050 CD PRO A 68 5.752 15.529 -10.004 1.00 0.00 C ATOM 0 HA PRO A 68 2.636 14.596 -9.955 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.932 17.240 -10.706 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.416 16.721 -9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.219 16.902 -11.618 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.485 17.696 -10.079 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.741 15.367 -10.432 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.873 15.551 -8.921 1.00 0.00 H new ATOM 1058 N GLY A 69 2.056 13.816 -12.188 1.00 0.00 N ATOM 1059 CA GLY A 69 1.416 13.513 -13.531 1.00 0.00 C ATOM 1060 C GLY A 69 2.016 12.288 -14.228 1.00 0.00 C ATOM 1061 O GLY A 69 1.536 11.854 -15.252 1.00 0.00 O ATOM 0 H GLY A 69 1.881 13.115 -11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.347 13.353 -13.388 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.525 14.381 -14.181 1.00 0.00 H new ATOM 1065 N GLN A 70 3.051 11.753 -13.652 1.00 0.00 N ATOM 1066 CA GLN A 70 3.760 10.550 -14.206 1.00 0.00 C ATOM 1067 C GLN A 70 3.743 9.350 -13.218 1.00 0.00 C ATOM 1068 O GLN A 70 3.768 9.492 -12.010 1.00 0.00 O ATOM 1069 CB GLN A 70 5.187 11.039 -14.545 1.00 0.00 C ATOM 1070 CG GLN A 70 6.179 9.834 -14.765 1.00 0.00 C ATOM 1071 CD GLN A 70 7.598 10.346 -14.925 1.00 0.00 C ATOM 1072 OE1 GLN A 70 8.132 11.027 -14.087 1.00 0.00 O ATOM 1073 NE2 GLN A 70 8.281 10.064 -15.974 1.00 0.00 N ATOM 0 H GLN A 70 3.456 12.108 -12.786 1.00 0.00 H new ATOM 0 HA GLN A 70 3.262 10.160 -15.094 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.157 11.654 -15.444 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.556 11.672 -13.738 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.125 9.150 -13.918 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.886 9.269 -15.650 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.871 9.490 -16.711 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.234 10.414 -16.071 1.00 0.00 H new ATOM 1082 N SER A 71 3.707 8.187 -13.791 1.00 0.00 N ATOM 1083 CA SER A 71 3.677 6.889 -13.032 1.00 0.00 C ATOM 1084 C SER A 71 4.841 5.883 -13.134 1.00 0.00 C ATOM 1085 O SER A 71 5.758 5.975 -13.926 1.00 0.00 O ATOM 1086 CB SER A 71 2.410 6.167 -13.462 1.00 0.00 C ATOM 1087 OG SER A 71 2.547 6.193 -14.880 1.00 0.00 O ATOM 0 H SER A 71 3.696 8.067 -14.804 1.00 0.00 H new ATOM 0 HA SER A 71 3.748 7.211 -11.993 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.362 5.151 -13.071 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.509 6.680 -13.126 1.00 0.00 H new ATOM 0 HG SER A 71 2.635 5.277 -15.217 1.00 0.00 H new ATOM 1093 N THR A 72 4.726 4.934 -12.247 1.00 0.00 N ATOM 1094 CA THR A 72 5.691 3.781 -12.108 1.00 0.00 C ATOM 1095 C THR A 72 4.861 2.508 -12.435 1.00 0.00 C ATOM 1096 O THR A 72 3.738 2.399 -11.976 1.00 0.00 O ATOM 1097 CB THR A 72 6.238 3.728 -10.664 1.00 0.00 C ATOM 1098 OG1 THR A 72 7.013 2.543 -10.657 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.199 3.462 -9.618 1.00 0.00 C ATOM 0 H THR A 72 3.962 4.902 -11.572 1.00 0.00 H new ATOM 0 HA THR A 72 6.551 3.875 -12.772 1.00 0.00 H new ATOM 0 HB THR A 72 6.723 4.678 -10.440 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.901 2.735 -10.289 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.669 3.441 -8.635 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.447 4.250 -9.644 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.724 2.501 -9.813 1.00 0.00 H new ATOM 1107 N SER A 73 5.393 1.584 -13.186 1.00 0.00 N ATOM 1108 CA SER A 73 4.603 0.330 -13.544 1.00 0.00 C ATOM 1109 C SER A 73 5.072 -1.081 -13.108 1.00 0.00 C ATOM 1110 O SER A 73 6.255 -1.351 -12.998 1.00 0.00 O ATOM 1111 CB SER A 73 4.476 0.312 -15.050 1.00 0.00 C ATOM 1112 OG SER A 73 3.546 -0.744 -15.284 1.00 0.00 O ATOM 0 H SER A 73 6.335 1.625 -13.575 1.00 0.00 H new ATOM 0 HA SER A 73 3.696 0.453 -12.953 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.110 1.264 -15.435 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.434 0.120 -15.533 1.00 0.00 H new ATOM 0 HG SER A 73 2.681 -0.366 -15.547 1.00 0.00 H new ATOM 1118 N THR A 74 4.155 -1.982 -12.848 1.00 0.00 N ATOM 1119 CA THR A 74 4.574 -3.379 -12.436 1.00 0.00 C ATOM 1120 C THR A 74 3.693 -4.561 -12.874 1.00 0.00 C ATOM 1121 O THR A 74 2.505 -4.613 -12.609 1.00 0.00 O ATOM 1122 CB THR A 74 4.731 -3.433 -10.895 1.00 0.00 C ATOM 1123 OG1 THR A 74 4.714 -4.823 -10.578 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.580 -2.960 -10.098 1.00 0.00 C ATOM 0 H THR A 74 3.149 -1.824 -12.899 1.00 0.00 H new ATOM 0 HA THR A 74 5.506 -3.526 -12.981 1.00 0.00 H new ATOM 0 HB THR A 74 5.606 -2.825 -10.667 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.396 -4.945 -9.659 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.812 -3.048 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.374 -1.917 -10.340 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.704 -3.566 -10.329 1.00 0.00 H new ATOM 1132 N THR A 75 4.294 -5.518 -13.534 1.00 0.00 N ATOM 1133 CA THR A 75 3.522 -6.736 -14.013 1.00 0.00 C ATOM 1134 C THR A 75 3.897 -8.098 -13.362 1.00 0.00 C ATOM 1135 O THR A 75 3.926 -9.113 -14.015 1.00 0.00 O ATOM 1136 CB THR A 75 3.690 -6.805 -15.565 1.00 0.00 C ATOM 1137 OG1 THR A 75 2.625 -7.652 -15.945 1.00 0.00 O ATOM 1138 CG2 THR A 75 4.903 -7.561 -16.107 1.00 0.00 C ATOM 0 H THR A 75 5.287 -5.521 -13.769 1.00 0.00 H new ATOM 0 HA THR A 75 2.488 -6.593 -13.700 1.00 0.00 H new ATOM 0 HB THR A 75 3.756 -5.779 -15.926 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.987 -7.149 -16.494 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.894 -7.529 -17.197 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.817 -7.095 -15.738 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.864 -8.598 -15.774 1.00 0.00 H new ATOM 1146 N PHE A 76 4.175 -8.099 -12.076 1.00 0.00 N ATOM 1147 CA PHE A 76 4.564 -9.380 -11.325 1.00 0.00 C ATOM 1148 C PHE A 76 4.357 -10.764 -12.045 1.00 0.00 C ATOM 1149 O PHE A 76 3.271 -11.314 -12.002 1.00 0.00 O ATOM 1150 CB PHE A 76 3.800 -9.529 -9.958 1.00 0.00 C ATOM 1151 CG PHE A 76 3.716 -8.296 -9.052 1.00 0.00 C ATOM 1152 CD1 PHE A 76 4.625 -7.266 -9.103 1.00 0.00 C ATOM 1153 CD2 PHE A 76 2.687 -8.227 -8.134 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.505 -6.186 -8.252 1.00 0.00 C ATOM 1155 CE2 PHE A 76 2.569 -7.151 -7.287 1.00 0.00 C ATOM 1156 CZ PHE A 76 3.480 -6.130 -7.349 1.00 0.00 C ATOM 0 H PHE A 76 4.153 -7.263 -11.492 1.00 0.00 H new ATOM 0 HA PHE A 76 5.636 -9.208 -11.229 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.783 -9.855 -10.176 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.277 -10.329 -9.392 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.438 -7.302 -9.813 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.966 -9.029 -8.081 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.224 -5.382 -8.300 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.759 -7.111 -6.574 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.389 -5.282 -6.686 1.00 0.00 H new ATOM 1166 N PRO A 77 5.388 -11.281 -12.677 1.00 0.00 N ATOM 1167 CA PRO A 77 5.488 -12.732 -12.968 1.00 0.00 C ATOM 1168 C PRO A 77 6.159 -13.349 -11.749 1.00 0.00 C ATOM 1169 O PRO A 77 5.445 -13.843 -10.900 1.00 0.00 O ATOM 1170 CB PRO A 77 6.350 -12.852 -14.213 1.00 0.00 C ATOM 1171 CG PRO A 77 6.666 -11.335 -14.568 1.00 0.00 C ATOM 1172 CD PRO A 77 6.551 -10.566 -13.217 1.00 0.00 C ATOM 0 HA PRO A 77 4.536 -13.232 -13.148 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.260 -13.421 -14.022 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.823 -13.356 -15.023 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.663 -11.230 -14.997 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.960 -10.947 -15.303 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.439 -10.666 -12.593 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.372 -9.499 -13.348 1.00 0.00 H new ATOM 1180 N ALA A 78 7.487 -13.244 -11.751 1.00 0.00 N ATOM 1181 CA ALA A 78 8.417 -13.761 -10.676 1.00 0.00 C ATOM 1182 C ALA A 78 7.505 -14.344 -9.612 1.00 0.00 C ATOM 1183 O ALA A 78 7.250 -13.709 -8.612 1.00 0.00 O ATOM 1184 CB ALA A 78 9.254 -12.539 -10.203 1.00 0.00 C ATOM 0 H ALA A 78 7.989 -12.787 -12.512 1.00 0.00 H new ATOM 0 HA ALA A 78 9.121 -14.534 -10.982 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.947 -12.853 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.815 -12.134 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.587 -11.772 -9.809 1.00 0.00 H new ATOM 1190 N ASP A 79 7.120 -15.540 -9.942 1.00 0.00 N ATOM 1191 CA ASP A 79 6.169 -16.455 -9.170 1.00 0.00 C ATOM 1192 C ASP A 79 5.912 -15.927 -7.701 1.00 0.00 C ATOM 1193 O ASP A 79 6.277 -16.440 -6.658 1.00 0.00 O ATOM 1194 CB ASP A 79 6.848 -17.859 -9.349 1.00 0.00 C ATOM 1195 CG ASP A 79 7.026 -18.104 -10.835 1.00 0.00 C ATOM 1196 OD1 ASP A 79 6.060 -18.539 -11.425 1.00 0.00 O ATOM 1197 OD2 ASP A 79 8.122 -17.816 -11.282 1.00 0.00 O ATOM 0 H ASP A 79 7.451 -15.980 -10.801 1.00 0.00 H new ATOM 0 HA ASP A 79 5.140 -16.499 -9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.811 -17.885 -8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.232 -18.640 -8.904 1.00 0.00 H new ATOM 1202 N ALA A 80 5.217 -14.812 -7.802 1.00 0.00 N ATOM 1203 CA ALA A 80 4.706 -13.904 -6.716 1.00 0.00 C ATOM 1204 C ALA A 80 3.188 -14.139 -6.363 1.00 0.00 C ATOM 1205 O ALA A 80 2.339 -13.332 -6.695 1.00 0.00 O ATOM 1206 CB ALA A 80 4.990 -12.461 -7.259 1.00 0.00 C ATOM 0 H ALA A 80 4.954 -14.458 -8.722 1.00 0.00 H new ATOM 0 HA ALA A 80 5.204 -14.093 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.649 -11.725 -6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.060 -12.339 -7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.458 -12.315 -8.199 1.00 0.00 H new ATOM 1212 N PRO A 81 2.898 -15.231 -5.695 1.00 0.00 N ATOM 1213 CA PRO A 81 1.618 -15.991 -5.881 1.00 0.00 C ATOM 1214 C PRO A 81 0.345 -15.464 -5.149 1.00 0.00 C ATOM 1215 O PRO A 81 0.402 -14.604 -4.289 1.00 0.00 O ATOM 1216 CB PRO A 81 2.032 -17.386 -5.442 1.00 0.00 C ATOM 1217 CG PRO A 81 2.892 -17.041 -4.186 1.00 0.00 C ATOM 1218 CD PRO A 81 3.779 -15.871 -4.675 1.00 0.00 C ATOM 0 HA PRO A 81 1.258 -15.906 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.176 -18.016 -5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.606 -17.909 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.270 -16.748 -3.340 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.491 -17.892 -3.862 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.035 -15.186 -3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.717 -16.221 -5.106 1.00 0.00 H new ATOM 1226 N ALA A 82 -0.768 -16.016 -5.525 1.00 0.00 N ATOM 1227 CA ALA A 82 -2.113 -15.669 -4.956 1.00 0.00 C ATOM 1228 C ALA A 82 -2.278 -14.888 -3.591 1.00 0.00 C ATOM 1229 O ALA A 82 -2.386 -15.523 -2.556 1.00 0.00 O ATOM 1230 CB ALA A 82 -2.878 -17.013 -4.903 1.00 0.00 C ATOM 0 H ALA A 82 -0.810 -16.737 -6.246 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.494 -14.893 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.876 -16.848 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.959 -17.425 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.339 -17.714 -4.266 1.00 0.00 H new ATOM 1236 N GLY A 83 -2.301 -13.569 -3.545 1.00 0.00 N ATOM 1237 CA GLY A 83 -2.476 -12.911 -2.176 1.00 0.00 C ATOM 1238 C GLY A 83 -2.006 -11.485 -1.851 1.00 0.00 C ATOM 1239 O GLY A 83 -1.457 -10.769 -2.659 1.00 0.00 O ATOM 0 H GLY A 83 -2.212 -12.939 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.543 -12.939 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.986 -13.567 -1.456 1.00 0.00 H new ATOM 1243 N GLU A 84 -2.275 -11.180 -0.618 1.00 0.00 N ATOM 1244 CA GLU A 84 -2.014 -9.891 0.142 1.00 0.00 C ATOM 1245 C GLU A 84 -0.651 -9.146 0.197 1.00 0.00 C ATOM 1246 O GLU A 84 -0.205 -8.842 1.286 1.00 0.00 O ATOM 1247 CB GLU A 84 -2.497 -10.163 1.625 1.00 0.00 C ATOM 1248 CG GLU A 84 -3.808 -11.016 1.653 1.00 0.00 C ATOM 1249 CD GLU A 84 -4.697 -10.789 0.437 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -5.066 -9.663 0.149 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -4.934 -11.818 -0.157 1.00 0.00 O ATOM 0 H GLU A 84 -2.730 -11.865 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.545 -9.173 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.712 -10.682 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.668 -9.214 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.545 -12.072 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.370 -10.777 2.556 1.00 0.00 H new ATOM 1258 N TYR A 85 0.023 -8.805 -0.859 1.00 0.00 N ATOM 1259 CA TYR A 85 1.350 -8.078 -0.648 1.00 0.00 C ATOM 1260 C TYR A 85 1.085 -6.571 -0.438 1.00 0.00 C ATOM 1261 O TYR A 85 0.273 -6.010 -1.143 1.00 0.00 O ATOM 1262 CB TYR A 85 2.258 -8.315 -1.898 1.00 0.00 C ATOM 1263 CG TYR A 85 2.369 -9.823 -2.075 1.00 0.00 C ATOM 1264 CD1 TYR A 85 1.375 -10.473 -2.755 1.00 0.00 C ATOM 1265 CD2 TYR A 85 3.415 -10.553 -1.545 1.00 0.00 C ATOM 1266 CE1 TYR A 85 1.415 -11.831 -2.904 1.00 0.00 C ATOM 1267 CE2 TYR A 85 3.443 -11.929 -1.704 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.433 -12.555 -2.385 1.00 0.00 C ATOM 1269 OH TYR A 85 2.379 -13.908 -2.564 1.00 0.00 O ATOM 0 H TYR A 85 -0.250 -8.977 -1.827 1.00 0.00 H new ATOM 0 HA TYR A 85 1.857 -8.462 0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.825 -7.852 -2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.242 -7.868 -1.753 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.555 -9.910 -3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.208 -10.053 -1.009 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.624 -12.332 -3.443 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.258 -12.506 -1.293 1.00 0.00 H new ATOM 0 HH TYR A 85 1.518 -14.151 -2.964 1.00 0.00 H new ATOM 1279 N THR A 86 1.735 -5.933 0.497 1.00 0.00 N ATOM 1280 CA THR A 86 1.474 -4.453 0.713 1.00 0.00 C ATOM 1281 C THR A 86 2.562 -3.519 0.187 1.00 0.00 C ATOM 1282 O THR A 86 3.739 -3.798 0.236 1.00 0.00 O ATOM 1283 CB THR A 86 1.343 -4.105 2.218 1.00 0.00 C ATOM 1284 OG1 THR A 86 0.540 -5.114 2.797 1.00 0.00 O ATOM 1285 CG2 THR A 86 0.483 -2.898 2.496 1.00 0.00 C ATOM 0 H THR A 86 2.427 -6.351 1.119 1.00 0.00 H new ATOM 0 HA THR A 86 0.552 -4.293 0.155 1.00 0.00 H new ATOM 0 HB THR A 86 2.362 -3.972 2.582 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.104 -5.872 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.441 -2.721 3.571 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.909 -2.026 2.000 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.524 -3.074 2.118 1.00 0.00 H new ATOM 1293 N PHE A 87 2.108 -2.419 -0.320 1.00 0.00 N ATOM 1294 CA PHE A 87 2.924 -1.323 -0.885 1.00 0.00 C ATOM 1295 C PHE A 87 2.695 -0.040 -0.065 1.00 0.00 C ATOM 1296 O PHE A 87 1.616 0.520 -0.107 1.00 0.00 O ATOM 1297 CB PHE A 87 2.540 -0.982 -2.330 1.00 0.00 C ATOM 1298 CG PHE A 87 1.142 -1.398 -2.700 1.00 0.00 C ATOM 1299 CD1 PHE A 87 0.892 -2.707 -2.988 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.132 -0.475 -2.757 1.00 0.00 C ATOM 1301 CE1 PHE A 87 -0.366 -3.106 -3.336 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -1.135 -0.864 -3.105 1.00 0.00 C ATOM 1303 CZ PHE A 87 -1.394 -2.186 -3.399 1.00 0.00 C ATOM 0 H PHE A 87 1.108 -2.223 -0.367 1.00 0.00 H new ATOM 0 HA PHE A 87 3.959 -1.665 -0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.641 0.093 -2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.244 -1.465 -3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.692 -3.431 -2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.334 0.561 -2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.558 -4.144 -3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.931 -0.135 -3.149 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.390 -2.499 -3.676 1.00 0.00 H new ATOM 1313 N TYR A 88 3.644 0.416 0.682 1.00 0.00 N ATOM 1314 CA TYR A 88 3.437 1.659 1.470 1.00 0.00 C ATOM 1315 C TYR A 88 4.422 2.778 1.080 1.00 0.00 C ATOM 1316 O TYR A 88 5.460 2.523 0.507 1.00 0.00 O ATOM 1317 CB TYR A 88 3.555 1.254 2.958 1.00 0.00 C ATOM 1318 CG TYR A 88 4.852 0.519 3.193 1.00 0.00 C ATOM 1319 CD1 TYR A 88 4.978 -0.806 2.841 1.00 0.00 C ATOM 1320 CD2 TYR A 88 5.915 1.171 3.749 1.00 0.00 C ATOM 1321 CE1 TYR A 88 6.163 -1.467 3.043 1.00 0.00 C ATOM 1322 CE2 TYR A 88 7.087 0.497 3.944 1.00 0.00 C ATOM 1323 CZ TYR A 88 7.227 -0.814 3.600 1.00 0.00 C ATOM 1324 OH TYR A 88 8.442 -1.410 3.832 1.00 0.00 O ATOM 0 H TYR A 88 4.562 -0.016 0.786 1.00 0.00 H new ATOM 0 HA TYR A 88 2.455 2.086 1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.511 2.142 3.589 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.713 0.621 3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.140 -1.328 2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.830 2.210 4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.256 -2.506 2.761 1.00 0.00 H new ATOM 0 HE2 TYR A 88 7.925 1.017 4.383 1.00 0.00 H new ATOM 0 HH TYR A 88 9.135 -0.721 3.909 1.00 0.00 H new ATOM 1334 N CYS A 89 4.085 3.987 1.393 1.00 0.00 N ATOM 1335 CA CYS A 89 4.982 5.144 1.054 1.00 0.00 C ATOM 1336 C CYS A 89 5.892 5.591 2.230 1.00 0.00 C ATOM 1337 O CYS A 89 5.621 6.583 2.868 1.00 0.00 O ATOM 1338 CB CYS A 89 4.008 6.243 0.564 1.00 0.00 C ATOM 1339 SG CYS A 89 4.609 7.804 -0.128 1.00 0.00 S ATOM 0 H CYS A 89 3.222 4.240 1.874 1.00 0.00 H new ATOM 0 HA CYS A 89 5.715 4.883 0.291 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.371 5.786 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 89 3.368 6.497 1.409 1.00 0.00 H new ATOM 0 HG CYS A 89 3.598 8.531 -0.501 1.00 0.00 H new ATOM 1344 N GLU A 90 6.933 4.849 2.510 1.00 0.00 N ATOM 1345 CA GLU A 90 7.898 5.195 3.632 1.00 0.00 C ATOM 1346 C GLU A 90 8.104 6.731 3.944 1.00 0.00 C ATOM 1347 O GLU A 90 7.984 7.151 5.084 1.00 0.00 O ATOM 1348 CB GLU A 90 9.259 4.476 3.276 1.00 0.00 C ATOM 1349 CG GLU A 90 9.070 2.920 3.481 1.00 0.00 C ATOM 1350 CD GLU A 90 10.256 2.009 3.126 1.00 0.00 C ATOM 1351 OE1 GLU A 90 11.241 2.519 2.634 1.00 0.00 O ATOM 1352 OE2 GLU A 90 10.096 0.814 3.357 1.00 0.00 O ATOM 0 H GLU A 90 7.171 3.996 2.004 1.00 0.00 H new ATOM 0 HA GLU A 90 7.463 4.842 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.543 4.691 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.062 4.848 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.814 2.747 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.213 2.604 2.886 1.00 0.00 H new ATOM 1359 N PRO A 91 8.404 7.563 2.965 1.00 0.00 N ATOM 1360 CA PRO A 91 8.303 9.060 3.110 1.00 0.00 C ATOM 1361 C PRO A 91 7.038 9.557 3.874 1.00 0.00 C ATOM 1362 O PRO A 91 7.093 10.378 4.773 1.00 0.00 O ATOM 1363 CB PRO A 91 8.409 9.548 1.634 1.00 0.00 C ATOM 1364 CG PRO A 91 8.114 8.265 0.799 1.00 0.00 C ATOM 1365 CD PRO A 91 8.844 7.180 1.593 1.00 0.00 C ATOM 0 HA PRO A 91 9.083 9.476 3.748 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.690 10.339 1.421 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.398 9.950 1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.045 8.065 0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.493 8.347 -0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.532 6.173 1.316 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.926 7.224 1.470 1.00 0.00 H new ATOM 1373 N HIS A 92 5.936 9.002 3.467 1.00 0.00 N ATOM 1374 CA HIS A 92 4.557 9.282 4.011 1.00 0.00 C ATOM 1375 C HIS A 92 3.905 8.162 4.899 1.00 0.00 C ATOM 1376 O HIS A 92 2.724 7.892 4.771 1.00 0.00 O ATOM 1377 CB HIS A 92 3.636 9.560 2.795 1.00 0.00 C ATOM 1378 CG HIS A 92 4.018 10.793 1.983 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.590 10.919 0.737 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.770 11.896 2.352 1.00 0.00 C ATOM 1381 CE1 HIS A 92 4.074 12.083 0.357 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.754 12.643 1.293 1.00 0.00 N ATOM 0 H HIS A 92 5.927 8.309 2.719 1.00 0.00 H new ATOM 0 HA HIS A 92 4.668 10.126 4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.649 8.690 2.139 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.612 9.677 3.150 1.00 0.00 H new ATOM 0 HD1 HIS A 92 3.019 10.268 0.198 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.255 12.088 3.298 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.919 12.514 -0.621 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.216 13.549 1.213 1.00 0.00 H new ATOM 1390 N ARG A 93 4.620 7.509 5.782 1.00 0.00 N ATOM 1391 CA ARG A 93 3.916 6.450 6.606 1.00 0.00 C ATOM 1392 C ARG A 93 3.022 7.084 7.713 1.00 0.00 C ATOM 1393 O ARG A 93 3.183 8.233 8.077 1.00 0.00 O ATOM 1394 CB ARG A 93 4.991 5.480 7.248 1.00 0.00 C ATOM 1395 CG ARG A 93 6.316 6.157 7.687 1.00 0.00 C ATOM 1396 CD ARG A 93 6.119 7.328 8.634 1.00 0.00 C ATOM 1397 NE ARG A 93 7.464 8.005 8.651 1.00 0.00 N ATOM 1398 CZ ARG A 93 7.589 9.158 8.153 1.00 0.00 C ATOM 1399 NH1 ARG A 93 7.795 9.233 6.927 1.00 0.00 N ATOM 1400 NH2 ARG A 93 7.492 10.146 8.912 1.00 0.00 N ATOM 0 H ARG A 93 5.613 7.645 5.971 1.00 0.00 H new ATOM 0 HA ARG A 93 3.260 5.881 5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.545 4.994 8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.224 4.695 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.951 5.414 8.169 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.848 6.503 6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.337 8.000 8.282 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.827 6.993 9.629 1.00 0.00 H new ATOM 0 HE ARG A 93 8.270 7.534 9.063 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.856 8.383 6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.902 10.145 6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.316 10.009 9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.589 11.089 8.536 1.00 0.00 H new ATOM 1414 N GLY A 94 2.086 6.337 8.234 1.00 0.00 N ATOM 1415 CA GLY A 94 1.173 6.893 9.316 1.00 0.00 C ATOM 1416 C GLY A 94 -0.079 7.494 8.676 1.00 0.00 C ATOM 1417 O GLY A 94 -1.200 7.161 8.993 1.00 0.00 O ATOM 0 H GLY A 94 1.902 5.369 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.893 6.102 10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.699 7.654 9.893 1.00 0.00 H new ATOM 1421 N ALA A 95 0.169 8.374 7.753 1.00 0.00 N ATOM 1422 CA ALA A 95 -0.916 9.084 6.999 1.00 0.00 C ATOM 1423 C ALA A 95 -1.517 8.168 5.889 1.00 0.00 C ATOM 1424 O ALA A 95 -1.409 8.399 4.706 1.00 0.00 O ATOM 1425 CB ALA A 95 -0.250 10.363 6.444 1.00 0.00 C ATOM 0 H ALA A 95 1.112 8.645 7.475 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.768 9.342 7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.983 10.938 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.125 10.966 7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.578 10.088 5.791 1.00 0.00 H new ATOM 1431 N GLY A 96 -2.149 7.127 6.357 1.00 0.00 N ATOM 1432 CA GLY A 96 -2.830 6.063 5.502 1.00 0.00 C ATOM 1433 C GLY A 96 -2.366 5.834 4.047 1.00 0.00 C ATOM 1434 O GLY A 96 -3.149 5.503 3.181 1.00 0.00 O ATOM 0 H GLY A 96 -2.235 6.946 7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.733 5.113 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.893 6.303 5.470 1.00 0.00 H new ATOM 1438 N MET A 97 -1.099 5.992 3.806 1.00 0.00 N ATOM 1439 CA MET A 97 -0.533 5.790 2.428 1.00 0.00 C ATOM 1440 C MET A 97 0.198 4.408 2.374 1.00 0.00 C ATOM 1441 O MET A 97 1.335 4.226 1.980 1.00 0.00 O ATOM 1442 CB MET A 97 0.360 7.052 2.215 1.00 0.00 C ATOM 1443 CG MET A 97 0.736 7.205 0.738 1.00 0.00 C ATOM 1444 SD MET A 97 1.151 8.884 0.197 1.00 0.00 S ATOM 1445 CE MET A 97 -0.241 9.112 -0.938 1.00 0.00 C ATOM 0 H MET A 97 -0.412 6.257 4.511 1.00 0.00 H new ATOM 0 HA MET A 97 -1.256 5.725 1.615 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.171 7.941 2.554 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.264 6.971 2.819 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.587 6.556 0.531 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.095 6.844 0.132 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.497 10.170 -0.992 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.036 8.755 -1.930 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.101 8.548 -0.577 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.579 3.476 2.851 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.280 2.009 2.976 1.00 0.00 C ATOM 1457 C VAL A 98 -1.294 1.129 2.169 1.00 0.00 C ATOM 1458 O VAL A 98 -2.392 0.959 2.660 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.335 1.674 4.506 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.895 2.237 5.237 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.558 2.326 5.197 1.00 0.00 C ATOM 0 H VAL A 98 -1.512 3.699 3.197 1.00 0.00 H new ATOM 0 HA VAL A 98 0.701 1.785 2.556 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.384 0.587 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.833 1.991 6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.800 1.800 4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.925 3.320 5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.558 2.068 6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.503 3.409 5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.475 1.960 4.735 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.013 0.587 1.004 1.00 0.00 N ATOM 1472 CA GLY A 99 -2.106 -0.250 0.324 1.00 0.00 C ATOM 1473 C GLY A 99 -1.671 -1.653 -0.048 1.00 0.00 C ATOM 1474 O GLY A 99 -0.496 -1.911 -0.040 1.00 0.00 O ATOM 0 H GLY A 99 -0.129 0.669 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.967 -0.313 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.437 0.267 -0.577 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.548 -2.562 -0.355 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.074 -3.935 -0.729 1.00 0.00 C ATOM 1480 C LYS A 100 -2.829 -4.591 -1.892 1.00 0.00 C ATOM 1481 O LYS A 100 -3.948 -4.275 -2.253 1.00 0.00 O ATOM 1482 CB LYS A 100 -2.153 -4.924 0.500 1.00 0.00 C ATOM 1483 CG LYS A 100 -3.576 -5.048 1.088 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.735 -6.397 1.917 1.00 0.00 C ATOM 1485 CE LYS A 100 -2.702 -6.562 3.056 1.00 0.00 C ATOM 1486 NZ LYS A 100 -1.408 -7.002 2.460 1.00 0.00 N ATOM 0 H LYS A 100 -3.559 -2.426 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.046 -3.769 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.808 -5.910 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.473 -4.580 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.782 -4.194 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.310 -5.023 0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.738 -6.434 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.647 -7.243 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.573 -5.620 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.053 -7.295 3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.968 -7.717 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.580 -7.412 1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.772 -6.184 2.370 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.131 -5.530 -2.448 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.629 -6.333 -3.581 1.00 0.00 C ATOM 1502 C ILE A 101 -2.911 -7.747 -3.082 1.00 0.00 C ATOM 1503 O ILE A 101 -2.207 -8.287 -2.257 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.559 -6.383 -4.707 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -2.023 -7.364 -5.819 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.241 -6.893 -4.255 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.843 -7.835 -6.782 1.00 0.00 C ATOM 0 H ILE A 101 -1.190 -5.783 -2.146 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.538 -5.885 -3.981 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.451 -5.354 -5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.474 -8.241 -5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.799 -6.884 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.454 -6.899 -5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.148 -6.248 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.355 -7.907 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.238 -8.518 -7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.406 -6.966 -7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.077 -8.343 -6.197 1.00 0.00 H new ATOM 1519 N THR A 102 -3.956 -8.238 -3.652 1.00 0.00 N ATOM 1520 CA THR A 102 -4.531 -9.603 -3.423 1.00 0.00 C ATOM 1521 C THR A 102 -4.198 -10.218 -4.777 1.00 0.00 C ATOM 1522 O THR A 102 -5.008 -10.097 -5.676 1.00 0.00 O ATOM 1523 CB THR A 102 -6.049 -9.538 -3.284 1.00 0.00 C ATOM 1524 OG1 THR A 102 -6.300 -8.618 -2.241 1.00 0.00 O ATOM 1525 CG2 THR A 102 -6.649 -10.804 -2.742 1.00 0.00 C ATOM 0 H THR A 102 -4.493 -7.703 -4.335 1.00 0.00 H new ATOM 0 HA THR A 102 -4.164 -10.117 -2.535 1.00 0.00 H new ATOM 0 HB THR A 102 -6.457 -9.309 -4.268 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.894 -8.945 -1.411 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.731 -10.691 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.415 -11.633 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.237 -11.008 -1.754 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.078 -10.845 -4.992 1.00 0.00 N ATOM 1534 CA VAL A 103 -2.902 -11.384 -6.383 1.00 0.00 C ATOM 1535 C VAL A 103 -3.532 -12.783 -6.500 1.00 0.00 C ATOM 1536 O VAL A 103 -3.918 -13.373 -5.514 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.363 -11.302 -6.620 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -0.584 -12.111 -5.621 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -0.936 -11.830 -7.981 1.00 0.00 C ATOM 0 H VAL A 103 -2.322 -11.005 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.418 -10.826 -7.165 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.150 -10.237 -6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.482 -12.020 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.789 -11.743 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.879 -13.158 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.146 -11.744 -8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.227 -12.876 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.420 -11.248 -8.765 1.00 0.00 H new ATOM 1549 N ALA A 104 -3.652 -13.279 -7.686 1.00 0.00 N ATOM 1550 CA ALA A 104 -4.238 -14.624 -7.959 1.00 0.00 C ATOM 1551 C ALA A 104 -3.133 -15.471 -8.671 1.00 0.00 C ATOM 1552 O ALA A 104 -2.440 -14.953 -9.526 1.00 0.00 O ATOM 1553 CB ALA A 104 -5.483 -14.370 -8.835 1.00 0.00 C ATOM 0 H ALA A 104 -3.354 -12.786 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.547 -15.177 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.961 -15.320 -9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.185 -13.735 -8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.183 -13.875 -9.758 1.00 0.00 H new ATOM 1559 N GLY A 105 -3.011 -16.717 -8.316 1.00 0.00 N ATOM 1560 CA GLY A 105 -1.976 -17.619 -8.934 1.00 0.00 C ATOM 1561 C GLY A 105 -1.140 -18.211 -7.810 1.00 0.00 C ATOM 1562 O GLY A 105 0.009 -17.828 -7.713 1.00 0.00 O ATOM 1563 OXT GLY A 105 -1.710 -19.012 -7.099 1.00 0.00 O ATOM 0 H GLY A 105 -3.593 -17.167 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.455 -18.410 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.345 -17.059 -9.624 1.00 0.00 H new