USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 724 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 81 ASN : amide:sc= 0 X(o=-6.5,f=-6.1) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -4.94! X(o=-6.5!,f=-6.1) USER MOD Set 1.3: A 92 SER OG : rot -120:sc= -1.56 USER MOD Set 2.1: A 61 ASN : amide:sc=-0.00346 X(o=-0.0035,f=0) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 52 SER OG : rot -54:sc= 1.31 USER MOD Set 3.2: A 78 TYR OH : rot -5:sc= 2.18 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.107 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 5 SER OG : rot -13:sc= 0.903 USER MOD Single : A 6 SER OG : rot 41:sc= 0.516 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -2.97! K(o=-3!,f=-2.2) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.91! C(o=-2.9!,f=-2.5!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 22 LYS NZ :NH3+ -112:sc= -0.968 (180deg=-3.22!) USER MOD Single : A 26 THR OG1 : rot 35:sc= -0.883 USER MOD Single : A 27 ASN : amide:sc= -3.1 K(o=-3.1,f=-0.25) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.91 X(o=-2.9,f=-2.7) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.917 USER MOD Single : A 54 SER OG : rot 180:sc= -0.228 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.53) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 160:sc= -0.0227 USER MOD Single : A 70 TYR OH : rot 1:sc= 0.0873 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -170:sc= 0.678 USER MOD Single : A 99 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.614) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.815 28.118 -11.474 1.00 0.00 N ATOM 2 CA GLY A 1 11.741 27.586 -10.492 1.00 0.00 C ATOM 3 C GLY A 1 11.241 27.755 -9.071 1.00 0.00 C ATOM 4 O GLY A 1 10.146 28.273 -8.849 1.00 0.00 O ATOM 0 H1 GLY A 1 10.500 27.353 -12.104 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.992 28.528 -10.988 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.289 28.855 -12.034 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.908 26.528 -10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.704 28.086 -10.597 1.00 0.00 H new ATOM 8 N SER A 2 12.043 27.315 -8.106 1.00 0.00 N ATOM 9 CA SER A 2 11.672 27.415 -6.699 1.00 0.00 C ATOM 10 C SER A 2 12.665 28.288 -5.937 1.00 0.00 C ATOM 11 O SER A 2 13.631 28.792 -6.508 1.00 0.00 O ATOM 12 CB SER A 2 11.608 26.024 -6.067 1.00 0.00 C ATOM 13 OG SER A 2 12.907 25.525 -5.798 1.00 0.00 O ATOM 0 H SER A 2 12.953 26.886 -8.273 1.00 0.00 H new ATOM 0 HA SER A 2 10.687 27.878 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.033 26.068 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.084 25.341 -6.736 1.00 0.00 H new ATOM 0 HG SER A 2 12.838 24.635 -5.393 1.00 0.00 H new ATOM 19 N SER A 3 12.418 28.461 -4.642 1.00 0.00 N ATOM 20 CA SER A 3 13.287 29.276 -3.801 1.00 0.00 C ATOM 21 C SER A 3 14.169 28.397 -2.920 1.00 0.00 C ATOM 22 O SER A 3 15.123 28.873 -2.306 1.00 0.00 O ATOM 23 CB SER A 3 12.452 30.217 -2.930 1.00 0.00 C ATOM 24 OG SER A 3 11.245 29.597 -2.522 1.00 0.00 O ATOM 0 H SER A 3 11.624 28.048 -4.153 1.00 0.00 H new ATOM 0 HA SER A 3 13.930 29.869 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.028 30.512 -2.053 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.227 31.128 -3.485 1.00 0.00 H new ATOM 0 HG SER A 3 10.730 30.218 -1.965 1.00 0.00 H new ATOM 30 N GLY A 4 13.842 27.109 -2.863 1.00 0.00 N ATOM 31 CA GLY A 4 14.614 26.183 -2.055 1.00 0.00 C ATOM 32 C GLY A 4 14.328 26.328 -0.574 1.00 0.00 C ATOM 33 O GLY A 4 14.883 27.204 0.089 1.00 0.00 O ATOM 0 H GLY A 4 13.057 26.691 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.393 25.162 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.676 26.348 -2.234 1.00 0.00 H new ATOM 37 N SER A 5 13.457 25.469 -0.054 1.00 0.00 N ATOM 38 CA SER A 5 13.094 25.509 1.358 1.00 0.00 C ATOM 39 C SER A 5 12.515 24.171 1.809 1.00 0.00 C ATOM 40 O SER A 5 11.395 23.813 1.444 1.00 0.00 O ATOM 41 CB SER A 5 12.082 26.628 1.614 1.00 0.00 C ATOM 42 OG SER A 5 12.624 27.893 1.277 1.00 0.00 O ATOM 0 H SER A 5 12.990 24.737 -0.589 1.00 0.00 H new ATOM 0 HA SER A 5 13.998 25.706 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.180 26.448 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.787 26.623 2.663 1.00 0.00 H new ATOM 0 HG SER A 5 13.593 27.812 1.154 1.00 0.00 H new ATOM 48 N SER A 6 13.287 23.437 2.603 1.00 0.00 N ATOM 49 CA SER A 6 12.854 22.137 3.101 1.00 0.00 C ATOM 50 C SER A 6 11.671 22.286 4.052 1.00 0.00 C ATOM 51 O SER A 6 11.835 22.668 5.210 1.00 0.00 O ATOM 52 CB SER A 6 14.009 21.429 3.813 1.00 0.00 C ATOM 53 OG SER A 6 14.561 22.249 4.829 1.00 0.00 O ATOM 0 H SER A 6 14.216 23.720 2.915 1.00 0.00 H new ATOM 0 HA SER A 6 12.539 21.536 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.654 20.495 4.248 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.782 21.170 3.090 1.00 0.00 H new ATOM 0 HG SER A 6 13.840 22.713 5.303 1.00 0.00 H new ATOM 59 N GLY A 7 10.476 21.981 3.554 1.00 0.00 N ATOM 60 CA GLY A 7 9.282 22.088 4.371 1.00 0.00 C ATOM 61 C GLY A 7 8.043 22.386 3.551 1.00 0.00 C ATOM 62 O GLY A 7 8.128 22.986 2.480 1.00 0.00 O ATOM 0 H GLY A 7 10.314 21.662 2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.136 21.157 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.422 22.875 5.112 1.00 0.00 H new ATOM 66 N GLY A 8 6.886 21.965 4.054 1.00 0.00 N ATOM 67 CA GLY A 8 5.641 22.199 3.346 1.00 0.00 C ATOM 68 C GLY A 8 5.289 21.066 2.403 1.00 0.00 C ATOM 69 O GLY A 8 5.920 20.901 1.358 1.00 0.00 O ATOM 0 H GLY A 8 6.789 21.466 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.835 22.330 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.717 23.128 2.781 1.00 0.00 H new ATOM 73 N CYS A 9 4.280 20.284 2.770 1.00 0.00 N ATOM 74 CA CYS A 9 3.847 19.158 1.949 1.00 0.00 C ATOM 75 C CYS A 9 2.334 18.982 2.024 1.00 0.00 C ATOM 76 O CYS A 9 1.652 19.696 2.759 1.00 0.00 O ATOM 77 CB CYS A 9 4.545 17.874 2.399 1.00 0.00 C ATOM 78 SG CYS A 9 4.151 17.373 4.090 1.00 0.00 S ATOM 0 H CYS A 9 3.746 20.409 3.630 1.00 0.00 H new ATOM 0 HA CYS A 9 4.120 19.367 0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.271 17.067 1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.623 18.010 2.314 1.00 0.00 H new ATOM 0 HG CYS A 9 4.787 16.276 4.377 1.00 0.00 H new ATOM 84 N GLN A 10 1.816 18.028 1.257 1.00 0.00 N ATOM 85 CA GLN A 10 0.383 17.760 1.235 1.00 0.00 C ATOM 86 C GLN A 10 0.111 16.270 1.055 1.00 0.00 C ATOM 87 O GLN A 10 0.256 15.714 -0.034 1.00 0.00 O ATOM 88 CB GLN A 10 -0.288 18.552 0.111 1.00 0.00 C ATOM 89 CG GLN A 10 -0.283 20.055 0.340 1.00 0.00 C ATOM 90 CD GLN A 10 0.989 20.716 -0.154 1.00 0.00 C ATOM 91 OE1 GLN A 10 1.330 20.628 -1.334 1.00 0.00 O ATOM 92 NE2 GLN A 10 1.698 21.384 0.748 1.00 0.00 N ATOM 0 H GLN A 10 2.367 17.428 0.643 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.035 18.074 2.191 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.219 18.334 -0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.318 18.213 0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.139 20.499 -0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.403 20.257 1.404 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.378 21.431 1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.563 21.850 0.474 1.00 0.00 H new ATOM 101 N PRO A 11 -0.293 15.606 2.148 1.00 0.00 N ATOM 102 CA PRO A 11 -0.594 14.171 2.137 1.00 0.00 C ATOM 103 C PRO A 11 -1.863 13.852 1.354 1.00 0.00 C ATOM 104 O PRO A 11 -2.138 12.692 1.046 1.00 0.00 O ATOM 105 CB PRO A 11 -0.781 13.836 3.619 1.00 0.00 C ATOM 106 CG PRO A 11 -1.193 15.122 4.249 1.00 0.00 C ATOM 107 CD PRO A 11 -0.487 16.204 3.480 1.00 0.00 C ATOM 0 HA PRO A 11 0.192 13.593 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.540 13.066 3.758 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.142 13.457 4.059 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.274 15.251 4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.915 15.147 5.303 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.084 17.115 3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.463 16.471 3.943 1.00 0.00 H new ATOM 115 N SER A 12 -2.633 14.887 1.036 1.00 0.00 N ATOM 116 CA SER A 12 -3.875 14.716 0.291 1.00 0.00 C ATOM 117 C SER A 12 -3.598 14.558 -1.200 1.00 0.00 C ATOM 118 O SER A 12 -4.278 13.801 -1.893 1.00 0.00 O ATOM 119 CB SER A 12 -4.803 15.909 0.525 1.00 0.00 C ATOM 120 OG SER A 12 -4.943 16.184 1.908 1.00 0.00 O ATOM 0 H SER A 12 -2.419 15.853 1.283 1.00 0.00 H new ATOM 0 HA SER A 12 -4.362 13.809 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.407 16.787 0.015 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.782 15.703 0.091 1.00 0.00 H new ATOM 0 HG SER A 12 -5.540 16.952 2.030 1.00 0.00 H new ATOM 126 N ARG A 13 -2.593 15.278 -1.688 1.00 0.00 N ATOM 127 CA ARG A 13 -2.225 15.220 -3.098 1.00 0.00 C ATOM 128 C ARG A 13 -1.725 13.827 -3.472 1.00 0.00 C ATOM 129 O ARG A 13 -1.711 13.456 -4.645 1.00 0.00 O ATOM 130 CB ARG A 13 -1.148 16.261 -3.409 1.00 0.00 C ATOM 131 CG ARG A 13 -1.476 17.651 -2.889 1.00 0.00 C ATOM 132 CD ARG A 13 -2.237 18.467 -3.923 1.00 0.00 C ATOM 133 NE ARG A 13 -1.357 18.983 -4.968 1.00 0.00 N ATOM 134 CZ ARG A 13 -1.784 19.363 -6.167 1.00 0.00 C ATOM 135 NH1 ARG A 13 -3.073 19.286 -6.470 1.00 0.00 N ATOM 136 NH2 ARG A 13 -0.922 19.823 -7.065 1.00 0.00 N ATOM 0 H ARG A 13 -2.019 15.908 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.114 15.439 -3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.203 15.934 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.004 16.311 -4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.070 17.569 -1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.554 18.168 -2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.012 17.848 -4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.741 19.298 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.360 19.056 -4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.739 18.934 -5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.399 19.578 -7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.070 19.885 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.251 20.114 -7.985 1.00 0.00 H new ATOM 150 N VAL A 14 -1.314 13.062 -2.466 1.00 0.00 N ATOM 151 CA VAL A 14 -0.814 11.710 -2.688 1.00 0.00 C ATOM 152 C VAL A 14 -1.928 10.783 -3.161 1.00 0.00 C ATOM 153 O VAL A 14 -3.087 10.946 -2.782 1.00 0.00 O ATOM 154 CB VAL A 14 -0.184 11.127 -1.410 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.519 9.812 -1.712 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.781 12.126 -0.789 1.00 0.00 C ATOM 0 H VAL A 14 -1.317 13.355 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.049 11.779 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.980 10.929 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.958 9.415 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.202 9.097 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.305 9.980 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.217 11.698 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.573 12.357 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.244 13.040 -0.534 1.00 0.00 H new ATOM 166 N GLN A 15 -1.567 9.809 -3.992 1.00 0.00 N ATOM 167 CA GLN A 15 -2.537 8.856 -4.516 1.00 0.00 C ATOM 168 C GLN A 15 -2.009 7.429 -4.412 1.00 0.00 C ATOM 169 O GLN A 15 -0.799 7.203 -4.416 1.00 0.00 O ATOM 170 CB GLN A 15 -2.870 9.184 -5.973 1.00 0.00 C ATOM 171 CG GLN A 15 -1.752 9.909 -6.704 1.00 0.00 C ATOM 172 CD GLN A 15 -2.040 10.087 -8.182 1.00 0.00 C ATOM 173 OE1 GLN A 15 -1.874 11.176 -8.732 1.00 0.00 O ATOM 174 NE2 GLN A 15 -2.474 9.014 -8.834 1.00 0.00 N ATOM 0 H GLN A 15 -0.611 9.660 -4.316 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.444 8.933 -3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.098 8.259 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.770 9.798 -6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.599 10.887 -6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.823 9.352 -6.583 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.597 8.131 -8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.684 9.073 -9.830 1.00 0.00 H new ATOM 183 N ALA A 16 -2.924 6.470 -4.319 1.00 0.00 N ATOM 184 CA ALA A 16 -2.550 5.064 -4.215 1.00 0.00 C ATOM 185 C ALA A 16 -3.603 4.167 -4.856 1.00 0.00 C ATOM 186 O ALA A 16 -4.765 4.174 -4.452 1.00 0.00 O ATOM 187 CB ALA A 16 -2.342 4.680 -2.758 1.00 0.00 C ATOM 0 H ALA A 16 -3.930 6.640 -4.314 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.613 4.922 -4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.063 3.628 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.548 5.292 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.266 4.844 -2.203 1.00 0.00 H new ATOM 193 N GLN A 17 -3.188 3.398 -5.857 1.00 0.00 N ATOM 194 CA GLN A 17 -4.098 2.496 -6.555 1.00 0.00 C ATOM 195 C GLN A 17 -3.356 1.268 -7.073 1.00 0.00 C ATOM 196 O GLN A 17 -2.126 1.235 -7.090 1.00 0.00 O ATOM 197 CB GLN A 17 -4.780 3.223 -7.715 1.00 0.00 C ATOM 198 CG GLN A 17 -3.818 3.659 -8.809 1.00 0.00 C ATOM 199 CD GLN A 17 -4.532 4.198 -10.033 1.00 0.00 C ATOM 200 OE1 GLN A 17 -5.346 3.506 -10.646 1.00 0.00 O ATOM 201 NE2 GLN A 17 -4.231 5.439 -10.395 1.00 0.00 N ATOM 0 H GLN A 17 -2.229 3.381 -6.203 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.858 2.166 -5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.537 2.569 -8.148 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.299 4.100 -7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.150 4.425 -8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.196 2.812 -9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.550 5.976 -9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.680 5.856 -11.210 1.00 0.00 H new ATOM 210 N GLY A 18 -4.113 0.260 -7.496 1.00 0.00 N ATOM 211 CA GLY A 18 -3.510 -0.956 -8.009 1.00 0.00 C ATOM 212 C GLY A 18 -4.162 -2.206 -7.453 1.00 0.00 C ATOM 213 O GLY A 18 -5.162 -2.144 -6.737 1.00 0.00 O ATOM 0 H GLY A 18 -5.133 0.264 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.585 -0.964 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.448 -0.963 -7.762 1.00 0.00 H new ATOM 217 N PRO A 19 -3.592 -3.374 -7.785 1.00 0.00 N ATOM 218 CA PRO A 19 -4.109 -4.666 -7.325 1.00 0.00 C ATOM 219 C PRO A 19 -3.897 -4.876 -5.830 1.00 0.00 C ATOM 220 O PRO A 19 -4.814 -5.275 -5.113 1.00 0.00 O ATOM 221 CB PRO A 19 -3.292 -5.681 -8.129 1.00 0.00 C ATOM 222 CG PRO A 19 -2.027 -4.969 -8.463 1.00 0.00 C ATOM 223 CD PRO A 19 -2.399 -3.522 -8.635 1.00 0.00 C ATOM 0 HA PRO A 19 -5.185 -4.751 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.097 -6.582 -7.548 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.822 -5.991 -9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.290 -5.091 -7.670 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.583 -5.369 -9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.594 -2.859 -8.317 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.615 -3.284 -9.676 1.00 0.00 H new ATOM 231 N GLY A 20 -2.681 -4.605 -5.365 1.00 0.00 N ATOM 232 CA GLY A 20 -2.372 -4.770 -3.956 1.00 0.00 C ATOM 233 C GLY A 20 -3.330 -4.012 -3.059 1.00 0.00 C ATOM 234 O GLY A 20 -3.370 -4.238 -1.849 1.00 0.00 O ATOM 0 H GLY A 20 -1.905 -4.274 -5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.403 -5.830 -3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.355 -4.427 -3.768 1.00 0.00 H new ATOM 238 N LEU A 21 -4.103 -3.108 -3.652 1.00 0.00 N ATOM 239 CA LEU A 21 -5.066 -2.312 -2.898 1.00 0.00 C ATOM 240 C LEU A 21 -6.483 -2.839 -3.097 1.00 0.00 C ATOM 241 O LEU A 21 -7.306 -2.801 -2.182 1.00 0.00 O ATOM 242 CB LEU A 21 -4.990 -0.845 -3.326 1.00 0.00 C ATOM 243 CG LEU A 21 -3.696 -0.110 -2.975 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.742 1.323 -3.481 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.456 -0.140 -1.473 1.00 0.00 C ATOM 0 H LEU A 21 -4.082 -2.908 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.815 -2.389 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.132 -0.794 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.823 -0.310 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.867 -0.620 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.813 1.830 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.866 1.323 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.581 1.845 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.531 0.388 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.288 0.345 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.377 -1.174 -1.138 1.00 0.00 H new ATOM 257 N LYS A 22 -6.762 -3.333 -4.299 1.00 0.00 N ATOM 258 CA LYS A 22 -8.078 -3.872 -4.619 1.00 0.00 C ATOM 259 C LYS A 22 -8.271 -5.247 -3.988 1.00 0.00 C ATOM 260 O LYS A 22 -9.237 -5.476 -3.261 1.00 0.00 O ATOM 261 CB LYS A 22 -8.259 -3.965 -6.135 1.00 0.00 C ATOM 262 CG LYS A 22 -9.485 -4.758 -6.554 1.00 0.00 C ATOM 263 CD LYS A 22 -9.595 -4.858 -8.066 1.00 0.00 C ATOM 264 CE LYS A 22 -10.067 -3.548 -8.678 1.00 0.00 C ATOM 265 NZ LYS A 22 -8.949 -2.578 -8.842 1.00 0.00 N ATOM 0 H LYS A 22 -6.093 -3.371 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.829 -3.196 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.330 -2.958 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.372 -4.426 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.436 -5.759 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.381 -4.283 -6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.626 -5.128 -8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.290 -5.655 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.523 -3.744 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.839 -3.109 -8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.086 -1.778 -8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.047 -3.049 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.933 -2.229 -9.822 1.00 0.00 H new ATOM 279 N GLU A 23 -7.345 -6.158 -4.270 1.00 0.00 N ATOM 280 CA GLU A 23 -7.415 -7.511 -3.729 1.00 0.00 C ATOM 281 C GLU A 23 -6.037 -8.166 -3.724 1.00 0.00 C ATOM 282 O GLU A 23 -5.205 -7.892 -4.588 1.00 0.00 O ATOM 283 CB GLU A 23 -8.393 -8.360 -4.543 1.00 0.00 C ATOM 284 CG GLU A 23 -7.846 -8.794 -5.892 1.00 0.00 C ATOM 285 CD GLU A 23 -8.839 -9.620 -6.687 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.642 -10.344 -6.061 1.00 0.00 O ATOM 287 OE2 GLU A 23 -8.813 -9.542 -7.933 1.00 0.00 O ATOM 0 H GLU A 23 -6.538 -5.984 -4.869 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.771 -7.446 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.659 -9.246 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.311 -7.793 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.570 -7.911 -6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.936 -9.374 -5.741 1.00 0.00 H new ATOM 294 N ALA A 24 -5.805 -9.034 -2.745 1.00 0.00 N ATOM 295 CA ALA A 24 -4.529 -9.730 -2.628 1.00 0.00 C ATOM 296 C ALA A 24 -4.733 -11.185 -2.218 1.00 0.00 C ATOM 297 O ALA A 24 -5.863 -11.630 -2.013 1.00 0.00 O ATOM 298 CB ALA A 24 -3.630 -9.019 -1.627 1.00 0.00 C ATOM 0 H ALA A 24 -6.483 -9.272 -2.022 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.046 -9.719 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.681 -9.549 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.449 -7.998 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.116 -9.000 -0.651 1.00 0.00 H new ATOM 304 N PHE A 25 -3.634 -11.921 -2.101 1.00 0.00 N ATOM 305 CA PHE A 25 -3.693 -13.327 -1.717 1.00 0.00 C ATOM 306 C PHE A 25 -2.602 -13.660 -0.703 1.00 0.00 C ATOM 307 O PHE A 25 -1.738 -12.834 -0.408 1.00 0.00 O ATOM 308 CB PHE A 25 -3.548 -14.221 -2.951 1.00 0.00 C ATOM 309 CG PHE A 25 -4.857 -14.556 -3.606 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.484 -13.642 -4.438 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.461 -15.783 -3.389 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.690 -13.948 -5.041 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.667 -16.095 -3.989 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.281 -15.176 -4.817 1.00 0.00 C ATOM 0 H PHE A 25 -2.691 -11.568 -2.266 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.663 -13.511 -1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.905 -13.723 -3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.048 -15.146 -2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.026 -12.681 -4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.984 -16.505 -2.743 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.170 -13.227 -5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.128 -17.055 -3.811 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.222 -15.417 -5.289 1.00 0.00 H new ATOM 324 N THR A 26 -2.649 -14.878 -0.171 1.00 0.00 N ATOM 325 CA THR A 26 -1.668 -15.321 0.811 1.00 0.00 C ATOM 326 C THR A 26 -0.385 -15.789 0.134 1.00 0.00 C ATOM 327 O THR A 26 -0.421 -16.588 -0.801 1.00 0.00 O ATOM 328 CB THR A 26 -2.221 -16.464 1.682 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.602 -17.570 0.856 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.420 -15.995 2.493 1.00 0.00 C ATOM 0 H THR A 26 -3.356 -15.575 -0.404 1.00 0.00 H new ATOM 0 HA THR A 26 -1.449 -14.463 1.447 1.00 0.00 H new ATOM 0 HB THR A 26 -1.436 -16.778 2.370 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.985 -17.640 0.098 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.793 -16.819 3.100 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.121 -15.172 3.142 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.206 -15.657 1.818 1.00 0.00 H new ATOM 338 N ASN A 27 0.749 -15.286 0.612 1.00 0.00 N ATOM 339 CA ASN A 27 2.044 -15.654 0.052 1.00 0.00 C ATOM 340 C ASN A 27 2.119 -15.294 -1.429 1.00 0.00 C ATOM 341 O ASN A 27 2.765 -15.986 -2.216 1.00 0.00 O ATOM 342 CB ASN A 27 2.297 -17.152 0.238 1.00 0.00 C ATOM 343 CG ASN A 27 2.358 -17.551 1.700 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.375 -18.054 2.176 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.264 -17.327 2.420 1.00 0.00 N ATOM 0 H ASN A 27 0.797 -14.623 1.385 1.00 0.00 H new ATOM 0 HA ASN A 27 2.814 -15.094 0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.506 -17.715 -0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.234 -17.423 -0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.245 -17.575 3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.443 -16.907 1.983 1.00 0.00 H new ATOM 352 N LYS A 28 1.453 -14.207 -1.802 1.00 0.00 N ATOM 353 CA LYS A 28 1.444 -13.752 -3.187 1.00 0.00 C ATOM 354 C LYS A 28 1.941 -12.314 -3.291 1.00 0.00 C ATOM 355 O LYS A 28 1.690 -11.480 -2.421 1.00 0.00 O ATOM 356 CB LYS A 28 0.033 -13.859 -3.771 1.00 0.00 C ATOM 357 CG LYS A 28 -0.352 -15.271 -4.176 1.00 0.00 C ATOM 358 CD LYS A 28 -1.329 -15.270 -5.340 1.00 0.00 C ATOM 359 CE LYS A 28 -0.604 -15.305 -6.676 1.00 0.00 C ATOM 360 NZ LYS A 28 -0.255 -16.695 -7.081 1.00 0.00 N ATOM 0 H LYS A 28 0.912 -13.624 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 28 2.117 -14.392 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.684 -13.492 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.041 -13.207 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.543 -15.828 -4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.799 -15.786 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.991 -16.132 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.957 -14.380 -5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.232 -14.850 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.305 -14.706 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.238 -16.676 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.365 -17.121 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.124 -17.260 -7.167 1.00 0.00 H new ATOM 374 N PRO A 29 2.663 -12.014 -4.381 1.00 0.00 N ATOM 375 CA PRO A 29 3.208 -10.675 -4.625 1.00 0.00 C ATOM 376 C PRO A 29 2.121 -9.655 -4.944 1.00 0.00 C ATOM 377 O PRO A 29 1.508 -9.700 -6.010 1.00 0.00 O ATOM 378 CB PRO A 29 4.122 -10.880 -5.837 1.00 0.00 C ATOM 379 CG PRO A 29 3.562 -12.070 -6.536 1.00 0.00 C ATOM 380 CD PRO A 29 3.001 -12.958 -5.459 1.00 0.00 C ATOM 0 HA PRO A 29 3.721 -10.278 -3.749 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.122 -10.004 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.154 -11.050 -5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.786 -11.778 -7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.334 -12.587 -7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.123 -13.504 -5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.729 -13.700 -5.130 1.00 0.00 H new ATOM 388 N ASN A 30 1.887 -8.735 -4.014 1.00 0.00 N ATOM 389 CA ASN A 30 0.873 -7.704 -4.196 1.00 0.00 C ATOM 390 C ASN A 30 1.499 -6.313 -4.161 1.00 0.00 C ATOM 391 O ASN A 30 1.996 -5.870 -3.126 1.00 0.00 O ATOM 392 CB ASN A 30 -0.202 -7.819 -3.114 1.00 0.00 C ATOM 393 CG ASN A 30 -0.412 -9.249 -2.657 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.111 -10.025 -3.309 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.195 -9.605 -1.531 1.00 0.00 N ATOM 0 H ASN A 30 2.386 -8.683 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 30 0.412 -7.851 -5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.080 -7.205 -2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.142 -7.421 -3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.091 -10.555 -1.174 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.765 -8.929 -1.023 1.00 0.00 H new ATOM 402 N VAL A 31 1.471 -5.628 -5.301 1.00 0.00 N ATOM 403 CA VAL A 31 2.034 -4.287 -5.401 1.00 0.00 C ATOM 404 C VAL A 31 0.972 -3.274 -5.812 1.00 0.00 C ATOM 405 O VAL A 31 -0.148 -3.643 -6.169 1.00 0.00 O ATOM 406 CB VAL A 31 3.194 -4.239 -6.414 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.254 -5.272 -6.062 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.675 -4.456 -7.827 1.00 0.00 C ATOM 0 H VAL A 31 1.064 -5.980 -6.168 1.00 0.00 H new ATOM 0 HA VAL A 31 2.414 -4.029 -4.413 1.00 0.00 H new ATOM 0 HB VAL A 31 3.654 -3.252 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.065 -5.223 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.646 -5.066 -5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.811 -6.268 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.507 -4.419 -8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.189 -5.430 -7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.956 -3.675 -8.075 1.00 0.00 H new ATOM 418 N PHE A 32 1.330 -1.996 -5.761 1.00 0.00 N ATOM 419 CA PHE A 32 0.407 -0.928 -6.129 1.00 0.00 C ATOM 420 C PHE A 32 1.166 0.306 -6.609 1.00 0.00 C ATOM 421 O PHE A 32 2.335 0.499 -6.275 1.00 0.00 O ATOM 422 CB PHE A 32 -0.483 -0.563 -4.939 1.00 0.00 C ATOM 423 CG PHE A 32 0.258 -0.496 -3.634 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.533 -1.650 -2.919 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.680 0.721 -3.123 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.214 -1.592 -1.718 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.362 0.785 -1.923 1.00 0.00 C ATOM 428 CZ PHE A 32 1.630 -0.373 -1.220 1.00 0.00 C ATOM 0 H PHE A 32 2.253 -1.674 -5.469 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.219 -1.288 -6.946 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.954 0.401 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.284 -1.298 -4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.211 -2.606 -3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.473 1.630 -3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.421 -2.499 -1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.685 1.740 -1.535 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.164 -0.325 -0.282 1.00 0.00 H new ATOM 438 N THR A 33 0.492 1.139 -7.396 1.00 0.00 N ATOM 439 CA THR A 33 1.101 2.352 -7.924 1.00 0.00 C ATOM 440 C THR A 33 0.877 3.533 -6.986 1.00 0.00 C ATOM 441 O THR A 33 -0.244 3.787 -6.547 1.00 0.00 O ATOM 442 CB THR A 33 0.540 2.703 -9.315 1.00 0.00 C ATOM 443 OG1 THR A 33 0.525 1.537 -10.146 1.00 0.00 O ATOM 444 CG2 THR A 33 1.372 3.792 -9.975 1.00 0.00 C ATOM 0 H THR A 33 -0.477 0.995 -7.681 1.00 0.00 H new ATOM 0 HA THR A 33 2.170 2.157 -8.010 1.00 0.00 H new ATOM 0 HB THR A 33 -0.478 3.072 -9.189 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.165 1.768 -11.028 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.957 4.023 -10.956 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.357 4.688 -9.354 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.400 3.447 -10.088 1.00 0.00 H new ATOM 452 N VAL A 34 1.953 4.253 -6.682 1.00 0.00 N ATOM 453 CA VAL A 34 1.873 5.409 -5.796 1.00 0.00 C ATOM 454 C VAL A 34 2.465 6.649 -6.457 1.00 0.00 C ATOM 455 O VAL A 34 3.683 6.778 -6.579 1.00 0.00 O ATOM 456 CB VAL A 34 2.607 5.149 -4.467 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.593 6.397 -3.597 1.00 0.00 C ATOM 458 CG2 VAL A 34 1.980 3.972 -3.735 1.00 0.00 C ATOM 0 H VAL A 34 2.889 4.056 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 34 0.816 5.579 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 34 3.645 4.900 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.116 6.195 -2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.091 7.212 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.562 6.679 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.510 3.802 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.933 4.190 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.047 3.079 -4.357 1.00 0.00 H new ATOM 468 N VAL A 35 1.595 7.559 -6.881 1.00 0.00 N ATOM 469 CA VAL A 35 2.031 8.791 -7.528 1.00 0.00 C ATOM 470 C VAL A 35 2.105 9.940 -6.529 1.00 0.00 C ATOM 471 O VAL A 35 1.082 10.426 -6.047 1.00 0.00 O ATOM 472 CB VAL A 35 1.086 9.186 -8.679 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.298 10.641 -9.068 1.00 0.00 C ATOM 474 CG2 VAL A 35 1.293 8.269 -9.875 1.00 0.00 C ATOM 0 H VAL A 35 0.583 7.467 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 35 3.025 8.601 -7.933 1.00 0.00 H new ATOM 0 HB VAL A 35 0.057 9.073 -8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.622 10.902 -9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.095 11.281 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.329 10.785 -9.392 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.618 8.562 -10.679 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.324 8.348 -10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.086 7.239 -9.584 1.00 0.00 H new ATOM 484 N THR A 36 3.324 10.373 -6.222 1.00 0.00 N ATOM 485 CA THR A 36 3.533 11.465 -5.280 1.00 0.00 C ATOM 486 C THR A 36 4.362 12.580 -5.906 1.00 0.00 C ATOM 487 O THR A 36 5.378 12.999 -5.350 1.00 0.00 O ATOM 488 CB THR A 36 4.236 10.976 -4.000 1.00 0.00 C ATOM 489 OG1 THR A 36 5.431 10.263 -4.338 1.00 0.00 O ATOM 490 CG2 THR A 36 3.316 10.076 -3.188 1.00 0.00 C ATOM 0 H THR A 36 4.182 9.983 -6.613 1.00 0.00 H new ATOM 0 HA THR A 36 2.547 11.851 -5.020 1.00 0.00 H new ATOM 0 HB THR A 36 4.492 11.848 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.872 9.957 -3.518 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.834 9.743 -2.289 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.420 10.630 -2.907 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.034 9.210 -3.786 1.00 0.00 H new ATOM 498 N ARG A 37 3.923 13.059 -7.066 1.00 0.00 N ATOM 499 CA ARG A 37 4.625 14.126 -7.768 1.00 0.00 C ATOM 500 C ARG A 37 4.115 15.495 -7.327 1.00 0.00 C ATOM 501 O ARG A 37 4.853 16.479 -7.345 1.00 0.00 O ATOM 502 CB ARG A 37 4.455 13.969 -9.280 1.00 0.00 C ATOM 503 CG ARG A 37 3.049 14.278 -9.769 1.00 0.00 C ATOM 504 CD ARG A 37 2.893 15.749 -10.121 1.00 0.00 C ATOM 505 NE ARG A 37 3.305 16.031 -11.493 1.00 0.00 N ATOM 506 CZ ARG A 37 3.680 17.234 -11.916 1.00 0.00 C ATOM 507 NH1 ARG A 37 3.695 18.260 -11.076 1.00 0.00 N ATOM 508 NH2 ARG A 37 4.041 17.411 -13.180 1.00 0.00 N ATOM 0 H ARG A 37 3.084 12.724 -7.539 1.00 0.00 H new ATOM 0 HA ARG A 37 5.684 14.055 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.160 14.628 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.713 12.948 -9.562 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.824 13.668 -10.644 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.327 14.009 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.853 16.045 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.487 16.351 -9.433 1.00 0.00 H new ATOM 0 HE ARG A 37 3.305 15.263 -12.164 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.418 18.127 -10.103 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.983 19.182 -11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.031 16.624 -13.828 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.329 18.335 -13.504 1.00 0.00 H new ATOM 522 N GLY A 38 2.847 15.548 -6.930 1.00 0.00 N ATOM 523 CA GLY A 38 2.260 16.801 -6.491 1.00 0.00 C ATOM 524 C GLY A 38 1.990 16.822 -4.999 1.00 0.00 C ATOM 525 O GLY A 38 1.042 17.461 -4.543 1.00 0.00 O ATOM 0 H GLY A 38 2.216 14.747 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.929 17.622 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.327 16.970 -7.029 1.00 0.00 H new ATOM 529 N ALA A 39 2.823 16.121 -4.238 1.00 0.00 N ATOM 530 CA ALA A 39 2.670 16.063 -2.790 1.00 0.00 C ATOM 531 C ALA A 39 3.690 16.957 -2.093 1.00 0.00 C ATOM 532 O ALA A 39 3.326 17.909 -1.403 1.00 0.00 O ATOM 533 CB ALA A 39 2.803 14.628 -2.302 1.00 0.00 C ATOM 0 H ALA A 39 3.611 15.585 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 39 1.674 16.430 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.687 14.600 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.032 14.013 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.786 14.242 -2.571 1.00 0.00 H new ATOM 539 N GLY A 40 4.969 16.644 -2.278 1.00 0.00 N ATOM 540 CA GLY A 40 6.021 17.429 -1.660 1.00 0.00 C ATOM 541 C GLY A 40 7.274 16.616 -1.400 1.00 0.00 C ATOM 542 O GLY A 40 7.508 15.599 -2.052 1.00 0.00 O ATOM 0 H GLY A 40 5.295 15.861 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.266 18.273 -2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.657 17.841 -0.719 1.00 0.00 H new ATOM 546 N ILE A 41 8.081 17.066 -0.445 1.00 0.00 N ATOM 547 CA ILE A 41 9.317 16.373 -0.101 1.00 0.00 C ATOM 548 C ILE A 41 9.235 15.764 1.294 1.00 0.00 C ATOM 549 O ILE A 41 9.066 16.474 2.284 1.00 0.00 O ATOM 550 CB ILE A 41 10.530 17.320 -0.166 1.00 0.00 C ATOM 551 CG1 ILE A 41 10.602 18.000 -1.534 1.00 0.00 C ATOM 552 CG2 ILE A 41 11.814 16.556 0.121 1.00 0.00 C ATOM 553 CD1 ILE A 41 9.665 19.180 -1.673 1.00 0.00 C ATOM 0 H ILE A 41 7.902 17.907 0.104 1.00 0.00 H new ATOM 0 HA ILE A 41 9.448 15.578 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 41 10.411 18.091 0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.624 18.335 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.369 17.268 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.662 17.239 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.760 16.115 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.940 15.766 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.770 19.613 -2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.637 18.847 -1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.912 19.931 -0.923 1.00 0.00 H new ATOM 565 N GLY A 42 9.358 14.442 1.365 1.00 0.00 N ATOM 566 CA GLY A 42 9.298 13.759 2.644 1.00 0.00 C ATOM 567 C GLY A 42 9.499 12.262 2.512 1.00 0.00 C ATOM 568 O GLY A 42 9.804 11.763 1.430 1.00 0.00 O ATOM 0 H GLY A 42 9.498 13.832 0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.061 14.168 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.332 13.953 3.111 1.00 0.00 H new ATOM 572 N GLY A 43 9.330 11.544 3.618 1.00 0.00 N ATOM 573 CA GLY A 43 9.501 10.103 3.600 1.00 0.00 C ATOM 574 C GLY A 43 8.181 9.361 3.676 1.00 0.00 C ATOM 575 O GLY A 43 7.389 9.579 4.594 1.00 0.00 O ATOM 0 H GLY A 43 9.078 11.934 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.025 9.814 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.131 9.805 4.438 1.00 0.00 H new ATOM 579 N LEU A 44 7.941 8.484 2.708 1.00 0.00 N ATOM 580 CA LEU A 44 6.706 7.708 2.668 1.00 0.00 C ATOM 581 C LEU A 44 6.822 6.453 3.528 1.00 0.00 C ATOM 582 O LEU A 44 7.825 5.743 3.474 1.00 0.00 O ATOM 583 CB LEU A 44 6.369 7.322 1.226 1.00 0.00 C ATOM 584 CG LEU A 44 5.082 6.521 1.029 1.00 0.00 C ATOM 585 CD1 LEU A 44 3.865 7.394 1.291 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.028 5.936 -0.375 1.00 0.00 C ATOM 0 H LEU A 44 8.585 8.292 1.940 1.00 0.00 H new ATOM 0 HA LEU A 44 5.904 8.328 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.300 8.234 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.199 6.742 0.823 1.00 0.00 H new ATOM 0 HG LEU A 44 5.075 5.699 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.958 6.807 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.897 7.765 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.866 8.237 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.105 5.369 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.058 6.743 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.882 5.276 -0.527 1.00 0.00 H new ATOM 598 N GLY A 45 5.788 6.186 4.319 1.00 0.00 N ATOM 599 CA GLY A 45 5.794 5.016 5.178 1.00 0.00 C ATOM 600 C GLY A 45 4.616 4.099 4.915 1.00 0.00 C ATOM 601 O GLY A 45 3.509 4.346 5.395 1.00 0.00 O ATOM 0 H GLY A 45 4.946 6.759 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.721 4.463 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.778 5.334 6.220 1.00 0.00 H new ATOM 605 N ILE A 46 4.853 3.038 4.151 1.00 0.00 N ATOM 606 CA ILE A 46 3.803 2.081 3.825 1.00 0.00 C ATOM 607 C ILE A 46 3.943 0.808 4.652 1.00 0.00 C ATOM 608 O ILE A 46 4.908 0.057 4.499 1.00 0.00 O ATOM 609 CB ILE A 46 3.820 1.714 2.330 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.609 2.963 1.472 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.755 0.671 2.029 1.00 0.00 C ATOM 612 CD1 ILE A 46 3.960 2.762 0.015 1.00 0.00 C ATOM 0 H ILE A 46 5.763 2.819 3.746 1.00 0.00 H new ATOM 0 HA ILE A 46 2.854 2.562 4.061 1.00 0.00 H new ATOM 0 HB ILE A 46 4.794 1.291 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.567 3.273 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.213 3.776 1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.779 0.422 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.948 -0.226 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.773 1.069 2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.786 3.688 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.010 2.482 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.338 1.971 -0.403 1.00 0.00 H new ATOM 624 N THR A 47 2.973 0.568 5.529 1.00 0.00 N ATOM 625 CA THR A 47 2.988 -0.615 6.381 1.00 0.00 C ATOM 626 C THR A 47 1.706 -1.424 6.219 1.00 0.00 C ATOM 627 O THR A 47 0.679 -0.899 5.787 1.00 0.00 O ATOM 628 CB THR A 47 3.160 -0.237 7.864 1.00 0.00 C ATOM 629 OG1 THR A 47 2.269 0.831 8.204 1.00 0.00 O ATOM 630 CG2 THR A 47 4.594 0.180 8.154 1.00 0.00 C ATOM 0 H THR A 47 2.167 1.177 5.668 1.00 0.00 H new ATOM 0 HA THR A 47 3.839 -1.220 6.068 1.00 0.00 H new ATOM 0 HB THR A 47 2.924 -1.113 8.469 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.383 1.064 9.149 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.691 0.442 9.208 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.267 -0.646 7.922 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.853 1.043 7.540 1.00 0.00 H new ATOM 638 N VAL A 48 1.772 -2.704 6.570 1.00 0.00 N ATOM 639 CA VAL A 48 0.615 -3.586 6.466 1.00 0.00 C ATOM 640 C VAL A 48 0.368 -4.326 7.776 1.00 0.00 C ATOM 641 O VAL A 48 1.303 -4.817 8.407 1.00 0.00 O ATOM 642 CB VAL A 48 0.794 -4.614 5.333 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.378 -5.584 5.303 1.00 0.00 C ATOM 644 CG2 VAL A 48 0.948 -3.910 3.994 1.00 0.00 C ATOM 0 H VAL A 48 2.614 -3.154 6.929 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.245 -2.955 6.242 1.00 0.00 H new ATOM 0 HB VAL A 48 1.703 -5.185 5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.235 -6.303 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.437 -6.113 6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.303 -5.032 5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.073 -4.652 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.059 -3.313 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.823 -3.260 4.023 1.00 0.00 H new ATOM 654 N GLU A 49 -0.897 -4.401 8.177 1.00 0.00 N ATOM 655 CA GLU A 49 -1.266 -5.082 9.413 1.00 0.00 C ATOM 656 C GLU A 49 -2.291 -6.180 9.144 1.00 0.00 C ATOM 657 O GLU A 49 -3.006 -6.145 8.143 1.00 0.00 O ATOM 658 CB GLU A 49 -1.828 -4.081 10.424 1.00 0.00 C ATOM 659 CG GLU A 49 -0.763 -3.425 11.287 1.00 0.00 C ATOM 660 CD GLU A 49 0.248 -4.420 11.823 1.00 0.00 C ATOM 661 OE1 GLU A 49 -0.136 -5.583 12.070 1.00 0.00 O ATOM 662 OE2 GLU A 49 1.424 -4.036 11.994 1.00 0.00 O ATOM 0 H GLU A 49 -1.683 -3.999 7.665 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.368 -5.541 9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.378 -3.307 9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.543 -4.592 11.069 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.244 -2.665 10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.242 -2.913 12.122 1.00 0.00 H new ATOM 669 N GLY A 50 -2.356 -7.155 10.046 1.00 0.00 N ATOM 670 CA GLY A 50 -3.296 -8.249 9.888 1.00 0.00 C ATOM 671 C GLY A 50 -3.015 -9.396 10.839 1.00 0.00 C ATOM 672 O GLY A 50 -2.278 -9.255 11.815 1.00 0.00 O ATOM 0 H GLY A 50 -1.775 -7.206 10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.308 -7.881 10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.255 -8.614 8.862 1.00 0.00 H new ATOM 676 N PRO A 51 -3.613 -10.563 10.558 1.00 0.00 N ATOM 677 CA PRO A 51 -3.439 -11.761 11.384 1.00 0.00 C ATOM 678 C PRO A 51 -2.034 -12.343 11.274 1.00 0.00 C ATOM 679 O PRO A 51 -1.714 -13.345 11.913 1.00 0.00 O ATOM 680 CB PRO A 51 -4.469 -12.739 10.813 1.00 0.00 C ATOM 681 CG PRO A 51 -4.669 -12.298 9.404 1.00 0.00 C ATOM 682 CD PRO A 51 -4.505 -10.803 9.411 1.00 0.00 C ATOM 0 HA PRO A 51 -3.576 -11.548 12.444 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.107 -13.766 10.859 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.402 -12.704 11.375 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.942 -12.767 8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.658 -12.580 9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.068 -10.442 8.480 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.461 -10.294 9.532 1.00 0.00 H new ATOM 690 N SER A 52 -1.197 -11.706 10.460 1.00 0.00 N ATOM 691 CA SER A 52 0.174 -12.163 10.263 1.00 0.00 C ATOM 692 C SER A 52 1.032 -11.058 9.654 1.00 0.00 C ATOM 693 O SER A 52 0.531 -10.194 8.936 1.00 0.00 O ATOM 694 CB SER A 52 0.198 -13.399 9.362 1.00 0.00 C ATOM 695 OG SER A 52 -0.122 -13.061 8.024 1.00 0.00 O ATOM 0 H SER A 52 -1.444 -10.872 9.927 1.00 0.00 H new ATOM 0 HA SER A 52 0.587 -12.425 11.237 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.185 -13.860 9.398 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.512 -14.138 9.734 1.00 0.00 H new ATOM 0 HG SER A 52 -0.975 -12.579 8.003 1.00 0.00 H new ATOM 701 N GLU A 53 2.328 -11.095 9.947 1.00 0.00 N ATOM 702 CA GLU A 53 3.256 -10.097 9.429 1.00 0.00 C ATOM 703 C GLU A 53 3.530 -10.326 7.945 1.00 0.00 C ATOM 704 O GLU A 53 3.808 -11.448 7.521 1.00 0.00 O ATOM 705 CB GLU A 53 4.570 -10.135 10.213 1.00 0.00 C ATOM 706 CG GLU A 53 5.552 -9.049 9.806 1.00 0.00 C ATOM 707 CD GLU A 53 6.803 -9.043 10.664 1.00 0.00 C ATOM 708 OE1 GLU A 53 6.729 -8.563 11.815 1.00 0.00 O ATOM 709 OE2 GLU A 53 7.854 -9.517 10.186 1.00 0.00 O ATOM 0 H GLU A 53 2.759 -11.805 10.540 1.00 0.00 H new ATOM 0 HA GLU A 53 2.797 -9.115 9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.352 -10.036 11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.039 -11.109 10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.832 -9.190 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.063 -8.077 9.876 1.00 0.00 H new ATOM 716 N SER A 54 3.447 -9.256 7.162 1.00 0.00 N ATOM 717 CA SER A 54 3.680 -9.340 5.725 1.00 0.00 C ATOM 718 C SER A 54 5.040 -8.751 5.360 1.00 0.00 C ATOM 719 O SER A 54 5.465 -7.744 5.926 1.00 0.00 O ATOM 720 CB SER A 54 2.574 -8.608 4.963 1.00 0.00 C ATOM 721 OG SER A 54 1.296 -9.111 5.312 1.00 0.00 O ATOM 0 H SER A 54 3.220 -8.320 7.498 1.00 0.00 H new ATOM 0 HA SER A 54 3.671 -10.393 5.442 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.621 -7.541 5.183 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.732 -8.720 3.890 1.00 0.00 H new ATOM 0 HG SER A 54 0.606 -8.626 4.813 1.00 0.00 H new ATOM 727 N LYS A 55 5.717 -9.386 4.410 1.00 0.00 N ATOM 728 CA LYS A 55 7.028 -8.927 3.967 1.00 0.00 C ATOM 729 C LYS A 55 6.895 -7.760 2.993 1.00 0.00 C ATOM 730 O LYS A 55 6.677 -7.960 1.798 1.00 0.00 O ATOM 731 CB LYS A 55 7.796 -10.073 3.304 1.00 0.00 C ATOM 732 CG LYS A 55 8.576 -10.930 4.286 1.00 0.00 C ATOM 733 CD LYS A 55 9.241 -12.107 3.593 1.00 0.00 C ATOM 734 CE LYS A 55 10.536 -11.694 2.911 1.00 0.00 C ATOM 735 NZ LYS A 55 10.980 -12.701 1.907 1.00 0.00 N ATOM 0 H LYS A 55 5.379 -10.221 3.931 1.00 0.00 H new ATOM 0 HA LYS A 55 7.581 -8.586 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.093 -10.705 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.485 -9.659 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.334 -10.321 4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.905 -11.296 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.447 -12.891 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.559 -12.529 2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.397 -10.730 2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.315 -11.561 3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.866 -12.383 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.137 -13.615 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.248 -12.809 1.177 1.00 0.00 H new ATOM 749 N ILE A 56 7.028 -6.545 3.512 1.00 0.00 N ATOM 750 CA ILE A 56 6.926 -5.347 2.687 1.00 0.00 C ATOM 751 C ILE A 56 8.280 -4.965 2.101 1.00 0.00 C ATOM 752 O ILE A 56 9.320 -5.188 2.719 1.00 0.00 O ATOM 753 CB ILE A 56 6.373 -4.156 3.491 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.871 -4.327 3.732 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.652 -2.850 2.762 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.342 -3.487 4.873 1.00 0.00 C ATOM 0 H ILE A 56 7.207 -6.363 4.500 1.00 0.00 H new ATOM 0 HA ILE A 56 6.236 -5.580 1.876 1.00 0.00 H new ATOM 0 HB ILE A 56 6.876 -4.125 4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.333 -4.067 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.661 -5.377 3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.255 -2.017 3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.728 -2.725 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.173 -2.870 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.272 -3.659 4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.853 -3.763 5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.520 -2.433 4.661 1.00 0.00 H new ATOM 768 N ASN A 57 8.260 -4.388 0.904 1.00 0.00 N ATOM 769 CA ASN A 57 9.487 -3.973 0.234 1.00 0.00 C ATOM 770 C ASN A 57 9.233 -2.774 -0.674 1.00 0.00 C ATOM 771 O ASN A 57 8.527 -2.880 -1.678 1.00 0.00 O ATOM 772 CB ASN A 57 10.063 -5.132 -0.583 1.00 0.00 C ATOM 773 CG ASN A 57 10.622 -6.235 0.294 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.653 -6.065 0.944 1.00 0.00 O ATOM 775 ND2 ASN A 57 9.942 -7.376 0.316 1.00 0.00 N ATOM 0 H ASN A 57 7.407 -4.197 0.378 1.00 0.00 H new ATOM 0 HA ASN A 57 10.208 -3.681 0.998 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.284 -5.542 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.851 -4.756 -1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.270 -8.154 0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.092 -7.474 -0.239 1.00 0.00 H new ATOM 782 N CYS A 58 9.812 -1.634 -0.315 1.00 0.00 N ATOM 783 CA CYS A 58 9.649 -0.413 -1.097 1.00 0.00 C ATOM 784 C CYS A 58 10.810 -0.230 -2.068 1.00 0.00 C ATOM 785 O CYS A 58 11.954 -0.558 -1.752 1.00 0.00 O ATOM 786 CB CYS A 58 9.545 0.800 -0.171 1.00 0.00 C ATOM 787 SG CYS A 58 7.871 1.132 0.426 1.00 0.00 S ATOM 0 H CYS A 58 10.399 -1.529 0.513 1.00 0.00 H new ATOM 0 HA CYS A 58 8.728 -0.500 -1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.201 0.647 0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.912 1.680 -0.700 1.00 0.00 H new ATOM 0 HG CYS A 58 7.886 2.174 1.203 1.00 0.00 H new ATOM 793 N ARG A 59 10.508 0.294 -3.251 1.00 0.00 N ATOM 794 CA ARG A 59 11.527 0.518 -4.270 1.00 0.00 C ATOM 795 C ARG A 59 11.666 2.005 -4.582 1.00 0.00 C ATOM 796 O ARG A 59 10.755 2.792 -4.322 1.00 0.00 O ATOM 797 CB ARG A 59 11.180 -0.251 -5.546 1.00 0.00 C ATOM 798 CG ARG A 59 12.398 -0.670 -6.354 1.00 0.00 C ATOM 799 CD ARG A 59 12.034 -1.694 -7.419 1.00 0.00 C ATOM 800 NE ARG A 59 12.933 -1.630 -8.568 1.00 0.00 N ATOM 801 CZ ARG A 59 12.903 -2.499 -9.573 1.00 0.00 C ATOM 802 NH1 ARG A 59 12.024 -3.492 -9.569 1.00 0.00 N ATOM 803 NH2 ARG A 59 13.753 -2.375 -10.584 1.00 0.00 N ATOM 0 H ARG A 59 9.566 0.571 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 59 12.479 0.155 -3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.607 -1.140 -5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.536 0.369 -6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.842 0.206 -6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.152 -1.089 -5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.068 -2.694 -6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.009 -1.524 -7.750 1.00 0.00 H new ATOM 0 HE ARG A 59 13.621 -0.878 -8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.369 -3.590 -8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.003 -4.158 -10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.430 -1.612 -10.590 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.729 -3.042 -11.355 1.00 0.00 H new ATOM 817 N ASP A 60 12.811 2.383 -5.140 1.00 0.00 N ATOM 818 CA ASP A 60 13.070 3.775 -5.488 1.00 0.00 C ATOM 819 C ASP A 60 13.021 3.976 -6.999 1.00 0.00 C ATOM 820 O ASP A 60 13.824 3.405 -7.736 1.00 0.00 O ATOM 821 CB ASP A 60 14.431 4.214 -4.946 1.00 0.00 C ATOM 822 CG ASP A 60 14.785 5.632 -5.350 1.00 0.00 C ATOM 823 OD1 ASP A 60 15.045 5.859 -6.550 1.00 0.00 O ATOM 824 OD2 ASP A 60 14.803 6.514 -4.467 1.00 0.00 O ATOM 0 H ASP A 60 13.575 1.744 -5.361 1.00 0.00 H new ATOM 0 HA ASP A 60 12.292 4.388 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.427 4.139 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.200 3.533 -5.309 1.00 0.00 H new ATOM 829 N ASN A 61 12.074 4.789 -7.453 1.00 0.00 N ATOM 830 CA ASN A 61 11.920 5.063 -8.877 1.00 0.00 C ATOM 831 C ASN A 61 12.436 6.457 -9.222 1.00 0.00 C ATOM 832 O ASN A 61 11.957 7.458 -8.689 1.00 0.00 O ATOM 833 CB ASN A 61 10.451 4.936 -9.287 1.00 0.00 C ATOM 834 CG ASN A 61 9.852 3.602 -8.886 1.00 0.00 C ATOM 835 OD1 ASN A 61 10.303 2.547 -9.334 1.00 0.00 O ATOM 836 ND2 ASN A 61 8.831 3.642 -8.038 1.00 0.00 N ATOM 0 H ASN A 61 11.401 5.270 -6.856 1.00 0.00 H new ATOM 0 HA ASN A 61 12.509 4.330 -9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.878 5.741 -8.828 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.366 5.060 -10.367 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.388 2.776 -7.732 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.490 4.539 -7.692 1.00 0.00 H new ATOM 843 N LYS A 62 13.417 6.514 -10.117 1.00 0.00 N ATOM 844 CA LYS A 62 13.999 7.783 -10.536 1.00 0.00 C ATOM 845 C LYS A 62 13.199 8.397 -11.681 1.00 0.00 C ATOM 846 O LYS A 62 13.761 9.038 -12.569 1.00 0.00 O ATOM 847 CB LYS A 62 15.454 7.584 -10.965 1.00 0.00 C ATOM 848 CG LYS A 62 16.275 8.862 -10.944 1.00 0.00 C ATOM 849 CD LYS A 62 17.764 8.570 -11.027 1.00 0.00 C ATOM 850 CE LYS A 62 18.549 9.796 -11.467 1.00 0.00 C ATOM 851 NZ LYS A 62 18.499 9.986 -12.943 1.00 0.00 N ATOM 0 H LYS A 62 13.826 5.695 -10.566 1.00 0.00 H new ATOM 0 HA LYS A 62 13.968 8.466 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.921 6.851 -10.307 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.473 7.166 -11.972 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.981 9.498 -11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.063 9.417 -10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 62 18.125 8.235 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.937 7.754 -11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.148 10.681 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.587 9.696 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.046 10.832 -13.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.905 9.153 -13.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.511 10.107 -13.244 1.00 0.00 H new ATOM 865 N ASP A 63 11.886 8.198 -11.653 1.00 0.00 N ATOM 866 CA ASP A 63 11.009 8.734 -12.687 1.00 0.00 C ATOM 867 C ASP A 63 10.046 9.762 -12.103 1.00 0.00 C ATOM 868 O ASP A 63 10.007 10.911 -12.541 1.00 0.00 O ATOM 869 CB ASP A 63 10.225 7.604 -13.357 1.00 0.00 C ATOM 870 CG ASP A 63 9.025 8.113 -14.131 1.00 0.00 C ATOM 871 OD1 ASP A 63 8.009 8.455 -13.491 1.00 0.00 O ATOM 872 OD2 ASP A 63 9.101 8.167 -15.376 1.00 0.00 O ATOM 0 H ASP A 63 11.405 7.669 -10.925 1.00 0.00 H new ATOM 0 HA ASP A 63 11.629 9.228 -13.435 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.884 7.058 -14.032 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.891 6.897 -12.597 1.00 0.00 H new ATOM 877 N GLY A 64 9.267 9.340 -11.111 1.00 0.00 N ATOM 878 CA GLY A 64 8.313 10.236 -10.485 1.00 0.00 C ATOM 879 C GLY A 64 7.183 9.493 -9.800 1.00 0.00 C ATOM 880 O GLY A 64 6.010 9.802 -10.011 1.00 0.00 O ATOM 0 H GLY A 64 9.280 8.394 -10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.829 10.859 -9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.899 10.905 -11.239 1.00 0.00 H new ATOM 884 N SER A 65 7.535 8.509 -8.979 1.00 0.00 N ATOM 885 CA SER A 65 6.541 7.715 -8.266 1.00 0.00 C ATOM 886 C SER A 65 7.209 6.792 -7.252 1.00 0.00 C ATOM 887 O SER A 65 8.436 6.752 -7.146 1.00 0.00 O ATOM 888 CB SER A 65 5.711 6.892 -9.253 1.00 0.00 C ATOM 889 OG SER A 65 6.544 6.181 -10.152 1.00 0.00 O ATOM 0 H SER A 65 8.501 8.242 -8.791 1.00 0.00 H new ATOM 0 HA SER A 65 5.882 8.398 -7.730 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.080 6.192 -8.706 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.046 7.551 -9.812 1.00 0.00 H new ATOM 0 HG SER A 65 5.989 5.662 -10.771 1.00 0.00 H new ATOM 895 N CYS A 66 6.394 6.051 -6.509 1.00 0.00 N ATOM 896 CA CYS A 66 6.905 5.127 -5.502 1.00 0.00 C ATOM 897 C CYS A 66 6.249 3.757 -5.639 1.00 0.00 C ATOM 898 O CYS A 66 5.044 3.655 -5.871 1.00 0.00 O ATOM 899 CB CYS A 66 6.663 5.685 -4.099 1.00 0.00 C ATOM 900 SG CYS A 66 7.673 4.913 -2.813 1.00 0.00 S ATOM 0 H CYS A 66 5.377 6.072 -6.585 1.00 0.00 H new ATOM 0 HA CYS A 66 7.978 5.013 -5.659 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.861 6.757 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.611 5.557 -3.845 1.00 0.00 H new ATOM 0 HG CYS A 66 7.729 5.696 -1.777 1.00 0.00 H new ATOM 906 N SER A 67 7.049 2.706 -5.494 1.00 0.00 N ATOM 907 CA SER A 67 6.548 1.342 -5.606 1.00 0.00 C ATOM 908 C SER A 67 6.607 0.628 -4.259 1.00 0.00 C ATOM 909 O SER A 67 7.605 0.713 -3.543 1.00 0.00 O ATOM 910 CB SER A 67 7.356 0.562 -6.645 1.00 0.00 C ATOM 911 OG SER A 67 6.830 0.750 -7.947 1.00 0.00 O ATOM 0 H SER A 67 8.048 2.773 -5.299 1.00 0.00 H new ATOM 0 HA SER A 67 5.507 1.390 -5.927 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.396 0.886 -6.619 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.347 -0.499 -6.396 1.00 0.00 H new ATOM 0 HG SER A 67 7.365 0.243 -8.592 1.00 0.00 H new ATOM 917 N ALA A 68 5.531 -0.074 -3.920 1.00 0.00 N ATOM 918 CA ALA A 68 5.460 -0.804 -2.661 1.00 0.00 C ATOM 919 C ALA A 68 4.902 -2.207 -2.870 1.00 0.00 C ATOM 920 O ALA A 68 3.810 -2.375 -3.413 1.00 0.00 O ATOM 921 CB ALA A 68 4.612 -0.040 -1.655 1.00 0.00 C ATOM 0 H ALA A 68 4.696 -0.152 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 68 6.472 -0.900 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.568 -0.597 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.056 0.939 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.604 0.086 -2.050 1.00 0.00 H new ATOM 927 N GLU A 69 5.657 -3.211 -2.436 1.00 0.00 N ATOM 928 CA GLU A 69 5.237 -4.600 -2.578 1.00 0.00 C ATOM 929 C GLU A 69 5.164 -5.288 -1.218 1.00 0.00 C ATOM 930 O GLU A 69 6.016 -5.074 -0.356 1.00 0.00 O ATOM 931 CB GLU A 69 6.200 -5.357 -3.495 1.00 0.00 C ATOM 932 CG GLU A 69 7.497 -5.761 -2.813 1.00 0.00 C ATOM 933 CD GLU A 69 8.272 -6.798 -3.603 1.00 0.00 C ATOM 934 OE1 GLU A 69 7.635 -7.698 -4.187 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.518 -6.708 -3.636 1.00 0.00 O ATOM 0 H GLU A 69 6.563 -3.088 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 69 4.242 -4.608 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.703 -6.251 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.432 -4.734 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.119 -4.877 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.274 -6.156 -1.822 1.00 0.00 H new ATOM 942 N TYR A 70 4.140 -6.115 -1.034 1.00 0.00 N ATOM 943 CA TYR A 70 3.954 -6.833 0.221 1.00 0.00 C ATOM 944 C TYR A 70 3.488 -8.263 -0.034 1.00 0.00 C ATOM 945 O TYR A 70 2.870 -8.553 -1.059 1.00 0.00 O ATOM 946 CB TYR A 70 2.940 -6.103 1.104 1.00 0.00 C ATOM 947 CG TYR A 70 1.519 -6.192 0.594 1.00 0.00 C ATOM 948 CD1 TYR A 70 1.028 -5.265 -0.317 1.00 0.00 C ATOM 949 CD2 TYR A 70 0.667 -7.202 1.024 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.269 -5.341 -0.786 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.631 -7.287 0.560 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.095 -6.354 -0.344 1.00 0.00 C ATOM 953 OH TYR A 70 -2.388 -6.435 -0.808 1.00 0.00 O ATOM 0 H TYR A 70 3.427 -6.304 -1.738 1.00 0.00 H new ATOM 0 HA TYR A 70 4.914 -6.870 0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.982 -6.518 2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.225 -5.054 1.179 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.672 -4.471 -0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.026 -7.933 1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.634 -4.612 -1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.279 -8.080 0.903 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.551 -5.713 -1.450 1.00 0.00 H new ATOM 963 N ILE A 71 3.788 -9.152 0.907 1.00 0.00 N ATOM 964 CA ILE A 71 3.399 -10.552 0.787 1.00 0.00 C ATOM 965 C ILE A 71 2.983 -11.125 2.137 1.00 0.00 C ATOM 966 O ILE A 71 3.814 -11.410 3.001 1.00 0.00 O ATOM 967 CB ILE A 71 4.542 -11.406 0.209 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.880 -10.951 -1.212 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.162 -12.879 0.223 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.217 -11.457 -1.707 1.00 0.00 C ATOM 0 H ILE A 71 4.299 -8.928 1.761 1.00 0.00 H new ATOM 0 HA ILE A 71 2.550 -10.586 0.104 1.00 0.00 H new ATOM 0 HB ILE A 71 5.426 -11.273 0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.098 -11.293 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.878 -9.862 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.980 -13.470 -0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.966 -13.195 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.267 -13.030 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.390 -11.095 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.009 -11.094 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.217 -12.547 -1.706 1.00 0.00 H new ATOM 982 N PRO A 72 1.667 -11.300 2.326 1.00 0.00 N ATOM 983 CA PRO A 72 1.111 -11.843 3.569 1.00 0.00 C ATOM 984 C PRO A 72 1.433 -13.323 3.751 1.00 0.00 C ATOM 985 O PRO A 72 1.894 -13.986 2.821 1.00 0.00 O ATOM 986 CB PRO A 72 -0.397 -11.641 3.401 1.00 0.00 C ATOM 987 CG PRO A 72 -0.613 -11.611 1.928 1.00 0.00 C ATOM 988 CD PRO A 72 0.620 -10.982 1.341 1.00 0.00 C ATOM 0 HA PRO A 72 1.526 -11.352 4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.959 -12.450 3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.727 -10.713 3.868 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.763 -12.617 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.503 -11.034 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.853 -11.395 0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.501 -9.906 1.214 1.00 0.00 H new ATOM 996 N PHE A 73 1.188 -13.834 4.952 1.00 0.00 N ATOM 997 CA PHE A 73 1.453 -15.235 5.256 1.00 0.00 C ATOM 998 C PHE A 73 0.170 -15.956 5.659 1.00 0.00 C ATOM 999 O PHE A 73 0.111 -17.186 5.664 1.00 0.00 O ATOM 1000 CB PHE A 73 2.489 -15.350 6.375 1.00 0.00 C ATOM 1001 CG PHE A 73 3.871 -14.935 5.958 1.00 0.00 C ATOM 1002 CD1 PHE A 73 4.130 -13.629 5.574 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.911 -15.851 5.948 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.401 -13.244 5.189 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.183 -15.471 5.565 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.428 -14.167 5.184 1.00 0.00 C ATOM 0 H PHE A 73 0.806 -13.299 5.732 1.00 0.00 H new ATOM 0 HA PHE A 73 1.847 -15.707 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.172 -14.735 7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.519 -16.381 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.330 -12.904 5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.725 -16.873 6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.590 -12.223 4.893 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.985 -16.194 5.564 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.421 -13.869 4.882 1.00 0.00 H new ATOM 1016 N ALA A 74 -0.856 -15.182 5.997 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.138 -15.745 6.401 1.00 0.00 C ATOM 1018 C ALA A 74 -3.297 -14.922 5.850 1.00 0.00 C ATOM 1019 O ALA A 74 -3.233 -13.695 5.764 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.223 -15.831 7.918 1.00 0.00 C ATOM 0 H ALA A 74 -0.824 -14.163 5.999 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.212 -16.751 5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.186 -16.253 8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.421 -16.468 8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.123 -14.833 8.345 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.383 -15.609 5.467 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.578 -14.961 4.917 1.00 0.00 C ATOM 1028 C PRO A 75 -6.336 -14.157 5.968 1.00 0.00 C ATOM 1029 O PRO A 75 -6.341 -14.507 7.148 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.426 -16.137 4.428 1.00 0.00 C ATOM 1031 CG PRO A 75 -5.990 -17.292 5.262 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.529 -17.073 5.542 1.00 0.00 C ATOM 0 HA PRO A 75 -5.330 -14.243 4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.490 -15.937 4.554 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.261 -16.330 3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.562 -17.342 6.189 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.150 -18.234 4.738 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.246 -17.455 6.523 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.899 -17.578 4.809 1.00 0.00 H new ATOM 1040 N GLY A 76 -6.979 -13.078 5.531 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.732 -12.242 6.447 1.00 0.00 C ATOM 1042 C GLY A 76 -7.830 -10.805 5.975 1.00 0.00 C ATOM 1043 O GLY A 76 -7.405 -10.479 4.866 1.00 0.00 O ATOM 0 H GLY A 76 -6.992 -12.768 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.735 -12.651 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.259 -12.267 7.429 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.391 -9.944 6.816 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.544 -8.534 6.478 1.00 0.00 C ATOM 1049 C ASP A 77 -7.307 -7.740 6.887 1.00 0.00 C ATOM 1050 O ASP A 77 -6.977 -7.651 8.070 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.785 -7.955 7.159 1.00 0.00 C ATOM 1052 CG ASP A 77 -9.715 -8.054 8.670 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -9.667 -9.189 9.189 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -9.707 -6.997 9.334 1.00 0.00 O ATOM 0 H ASP A 77 -8.748 -10.198 7.737 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.663 -8.456 5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.900 -6.910 6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.670 -8.482 6.804 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.626 -7.166 5.902 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.424 -6.382 6.159 1.00 0.00 C ATOM 1061 C TYR A 78 -5.683 -4.896 5.930 1.00 0.00 C ATOM 1062 O TYR A 78 -6.602 -4.519 5.204 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.279 -6.856 5.261 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.681 -8.177 5.690 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.408 -9.357 5.585 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.391 -8.245 6.199 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.866 -10.566 5.976 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.840 -9.450 6.591 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.582 -10.608 6.478 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.037 -11.810 6.868 1.00 0.00 O ATOM 0 H TYR A 78 -6.886 -7.229 4.918 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.143 -6.527 7.202 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.644 -6.947 4.238 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.496 -6.098 5.254 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.413 -9.328 5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.808 -7.340 6.290 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.445 -11.474 5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.834 -9.485 6.984 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.715 -12.514 6.799 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.864 -4.057 6.554 1.00 0.00 N ATOM 1081 CA ASP A 79 -5.001 -2.612 6.419 1.00 0.00 C ATOM 1082 C ASP A 79 -3.670 -1.973 6.037 1.00 0.00 C ATOM 1083 O ASP A 79 -2.739 -1.924 6.842 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.519 -2.002 7.723 1.00 0.00 C ATOM 1085 CG ASP A 79 -7.033 -1.947 7.775 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.673 -2.994 7.546 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.578 -0.855 8.044 1.00 0.00 O ATOM 0 H ASP A 79 -4.098 -4.353 7.159 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.720 -2.413 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.150 -2.587 8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.118 -0.995 7.834 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.585 -1.484 4.804 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.367 -0.848 4.315 1.00 0.00 C ATOM 1094 C VAL A 80 -2.278 0.600 4.784 1.00 0.00 C ATOM 1095 O VAL A 80 -3.030 1.458 4.325 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.293 -0.885 2.777 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -0.961 -0.332 2.293 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.509 -2.301 2.267 1.00 0.00 C ATOM 0 H VAL A 80 -4.345 -1.516 4.125 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.528 -1.411 4.724 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.087 -0.255 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.927 -0.366 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.852 0.700 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.148 -0.933 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.453 -2.308 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.738 -2.956 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.490 -2.656 2.582 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.352 0.864 5.700 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.163 2.209 6.231 1.00 0.00 C ATOM 1110 C ASN A 81 -0.158 2.990 5.390 1.00 0.00 C ATOM 1111 O ASN A 81 1.026 2.653 5.349 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.689 2.144 7.684 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.781 1.679 8.628 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.429 2.489 9.292 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -1.990 0.369 8.692 1.00 0.00 N ATOM 0 H ASN A 81 -0.721 0.164 6.090 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.122 2.726 6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.162 1.467 7.756 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.340 3.129 7.994 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.712 -0.003 9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.429 -0.265 8.123 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.637 4.034 4.723 1.00 0.00 N ATOM 1123 CA ILE A 82 0.220 4.863 3.885 1.00 0.00 C ATOM 1124 C ILE A 82 0.257 6.302 4.390 1.00 0.00 C ATOM 1125 O ILE A 82 -0.770 6.980 4.441 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.250 4.857 2.419 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.356 3.422 1.900 1.00 0.00 C ATOM 1128 CG2 ILE A 82 0.702 5.670 1.554 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.928 3.325 0.503 1.00 0.00 C ATOM 0 H ILE A 82 -1.614 4.326 4.747 1.00 0.00 H new ATOM 0 HA ILE A 82 1.221 4.436 3.938 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.238 5.315 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.634 2.966 1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.981 2.843 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.356 5.656 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.731 6.699 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.701 5.238 1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.974 2.279 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.931 3.751 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.292 3.875 -0.190 1.00 0.00 H new ATOM 1141 N THR A 83 1.447 6.763 4.762 1.00 0.00 N ATOM 1142 CA THR A 83 1.618 8.121 5.262 1.00 0.00 C ATOM 1143 C THR A 83 2.781 8.820 4.567 1.00 0.00 C ATOM 1144 O THR A 83 3.784 8.191 4.229 1.00 0.00 O ATOM 1145 CB THR A 83 1.862 8.133 6.783 1.00 0.00 C ATOM 1146 OG1 THR A 83 2.807 7.117 7.136 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.562 7.908 7.541 1.00 0.00 C ATOM 0 H THR A 83 2.307 6.215 4.726 1.00 0.00 H new ATOM 0 HA THR A 83 0.694 8.656 5.045 1.00 0.00 H new ATOM 0 HB THR A 83 2.260 9.110 7.057 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.958 7.132 8.104 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.759 7.921 8.613 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.145 8.699 7.293 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.140 6.943 7.261 1.00 0.00 H new ATOM 1155 N TYR A 84 2.641 10.124 4.358 1.00 0.00 N ATOM 1156 CA TYR A 84 3.680 10.909 3.701 1.00 0.00 C ATOM 1157 C TYR A 84 4.346 11.864 4.687 1.00 0.00 C ATOM 1158 O TYR A 84 3.760 12.870 5.087 1.00 0.00 O ATOM 1159 CB TYR A 84 3.090 11.697 2.530 1.00 0.00 C ATOM 1160 CG TYR A 84 4.089 11.992 1.435 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.813 10.970 0.834 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.310 13.293 1.001 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.728 11.235 -0.167 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.222 13.568 0.000 1.00 0.00 C ATOM 1165 CZ TYR A 84 5.928 12.535 -0.581 1.00 0.00 C ATOM 1166 OH TYR A 84 6.838 12.804 -1.577 1.00 0.00 O ATOM 0 H TYR A 84 1.818 10.660 4.634 1.00 0.00 H new ATOM 0 HA TYR A 84 4.436 10.220 3.323 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.256 11.135 2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.684 12.637 2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.658 9.950 1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.759 14.104 1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.283 10.428 -0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.381 14.585 -0.326 1.00 0.00 H new ATOM 0 HH TYR A 84 6.977 13.772 -1.640 1.00 0.00 H new ATOM 1176 N GLY A 85 5.576 11.541 5.075 1.00 0.00 N ATOM 1177 CA GLY A 85 6.303 12.380 6.010 1.00 0.00 C ATOM 1178 C GLY A 85 5.845 12.184 7.442 1.00 0.00 C ATOM 1179 O GLY A 85 6.570 11.622 8.262 1.00 0.00 O ATOM 0 H GLY A 85 6.082 10.714 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.368 12.159 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.175 13.426 5.731 1.00 0.00 H new ATOM 1183 N GLY A 86 4.636 12.650 7.744 1.00 0.00 N ATOM 1184 CA GLY A 86 4.104 12.515 9.087 1.00 0.00 C ATOM 1185 C GLY A 86 2.591 12.600 9.123 1.00 0.00 C ATOM 1186 O GLY A 86 2.003 12.890 10.164 1.00 0.00 O ATOM 0 H GLY A 86 4.017 13.118 7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.421 11.560 9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.524 13.296 9.721 1.00 0.00 H new ATOM 1190 N ALA A 87 1.959 12.347 7.981 1.00 0.00 N ATOM 1191 CA ALA A 87 0.506 12.395 7.886 1.00 0.00 C ATOM 1192 C ALA A 87 -0.035 11.194 7.117 1.00 0.00 C ATOM 1193 O ALA A 87 0.705 10.520 6.399 1.00 0.00 O ATOM 1194 CB ALA A 87 0.063 13.691 7.223 1.00 0.00 C ATOM 0 H ALA A 87 2.431 12.107 7.109 1.00 0.00 H new ATOM 0 HA ALA A 87 0.100 12.359 8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.025 13.713 7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.409 14.539 7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.487 13.750 6.221 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.328 10.931 7.272 1.00 0.00 N ATOM 1201 CA HIS A 88 -1.968 9.811 6.591 1.00 0.00 C ATOM 1202 C HIS A 88 -2.693 10.280 5.334 1.00 0.00 C ATOM 1203 O HIS A 88 -3.449 11.252 5.369 1.00 0.00 O ATOM 1204 CB HIS A 88 -2.950 9.110 7.530 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.303 8.108 8.436 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.392 6.747 8.239 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.551 8.277 9.549 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.725 6.121 9.192 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.205 7.027 10.000 1.00 0.00 N ATOM 0 H HIS A 88 -1.954 11.478 7.863 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.191 9.105 6.297 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.458 9.860 8.136 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.714 8.609 6.935 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.275 9.219 9.998 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.622 5.051 9.293 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.638 6.830 10.825 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.459 9.585 4.227 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.090 9.932 2.960 1.00 0.00 C ATOM 1220 C ILE A 89 -4.578 9.597 2.978 1.00 0.00 C ATOM 1221 O ILE A 89 -5.026 8.682 3.669 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.425 9.199 1.780 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.671 7.692 1.883 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.934 9.496 1.745 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.333 6.936 0.617 1.00 0.00 C ATOM 0 H ILE A 89 -1.837 8.778 4.181 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.963 11.006 2.828 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.869 9.558 0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.078 7.291 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.718 7.519 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.478 8.971 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.779 10.569 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.474 9.162 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.532 5.874 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.944 7.310 -0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.279 7.078 0.379 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.364 10.354 2.198 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.814 10.156 2.105 1.00 0.00 C ATOM 1239 C PRO A 90 -7.176 8.863 1.383 1.00 0.00 C ATOM 1240 O PRO A 90 -7.347 8.847 0.164 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.287 11.369 1.299 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.099 11.778 0.498 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.898 11.462 1.347 1.00 0.00 C ATOM 0 HA PRO A 90 -7.278 10.073 3.088 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.129 11.113 0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.619 12.174 1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.061 11.238 -0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.138 12.840 0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.042 11.169 0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.588 12.322 1.941 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.293 7.778 2.143 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.635 6.495 1.558 1.00 0.00 C ATOM 1253 C GLY A 91 -7.149 5.328 2.394 1.00 0.00 C ATOM 1254 O GLY A 91 -7.617 4.201 2.231 1.00 0.00 O ATOM 0 H GLY A 91 -7.157 7.765 3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.717 6.429 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.203 6.428 0.560 1.00 0.00 H new ATOM 1258 N SER A 92 -6.205 5.597 3.291 1.00 0.00 N ATOM 1259 CA SER A 92 -5.650 4.559 4.152 1.00 0.00 C ATOM 1260 C SER A 92 -6.225 4.659 5.561 1.00 0.00 C ATOM 1261 O SER A 92 -6.632 5.727 6.019 1.00 0.00 O ATOM 1262 CB SER A 92 -4.125 4.669 4.201 1.00 0.00 C ATOM 1263 OG SER A 92 -3.624 4.245 5.457 1.00 0.00 O ATOM 0 H SER A 92 -5.809 6.525 3.440 1.00 0.00 H new ATOM 0 HA SER A 92 -5.923 3.590 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.688 4.063 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.825 5.700 4.016 1.00 0.00 H new ATOM 0 HG SER A 92 -3.139 4.983 5.882 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.259 3.519 6.267 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.777 2.242 5.733 1.00 0.00 C ATOM 1271 C PRO A 93 -6.678 1.699 4.628 1.00 0.00 C ATOM 1272 O PRO A 93 -7.895 1.879 4.662 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.806 1.314 6.950 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.838 1.901 7.849 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.771 3.389 7.642 1.00 0.00 C ATOM 0 HA PRO A 93 -4.792 2.337 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.064 0.294 6.664 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.833 1.272 7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.829 1.518 7.607 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.641 1.643 8.890 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.750 3.855 7.752 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.109 3.866 8.364 1.00 0.00 H new ATOM 1283 N PHE A 94 -6.071 1.035 3.650 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.819 0.467 2.534 1.00 0.00 C ATOM 1285 C PHE A 94 -7.124 -1.008 2.779 1.00 0.00 C ATOM 1286 O PHE A 94 -6.238 -1.858 2.699 1.00 0.00 O ATOM 1287 CB PHE A 94 -6.033 0.627 1.231 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.900 2.054 0.782 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.971 2.896 1.372 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.704 2.553 -0.229 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.847 4.209 0.961 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.585 3.866 -0.644 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.654 4.695 -0.049 1.00 0.00 C ATOM 0 H PHE A 94 -5.064 0.877 3.607 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.762 1.006 2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.038 0.202 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.525 0.052 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.337 2.522 2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.433 1.909 -0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.119 4.855 1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.219 4.243 -1.433 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.557 5.721 -0.373 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.385 -1.303 3.080 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.808 -2.674 3.339 1.00 0.00 C ATOM 1305 C ARG A 95 -8.622 -3.544 2.099 1.00 0.00 C ATOM 1306 O ARG A 95 -9.016 -3.164 0.996 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.272 -2.704 3.780 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.860 -4.104 3.847 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.488 -4.803 5.145 1.00 0.00 C ATOM 1310 NE ARG A 95 -11.032 -4.114 6.313 1.00 0.00 N ATOM 1311 CZ ARG A 95 -12.286 -4.251 6.729 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -13.121 -5.047 6.076 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -12.707 -3.591 7.800 1.00 0.00 N ATOM 0 H ARG A 95 -9.131 -0.611 3.150 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.186 -3.074 4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.357 -2.236 4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.863 -2.104 3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.945 -4.049 3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.502 -4.691 3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.858 -5.828 5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.403 -4.858 5.229 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.415 -3.494 6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.801 -5.556 5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.083 -5.150 6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.068 -2.977 8.305 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.670 -3.697 8.118 1.00 0.00 H new ATOM 1327 N VAL A 96 -8.017 -4.713 2.288 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.779 -5.637 1.185 1.00 0.00 C ATOM 1329 C VAL A 96 -8.037 -7.078 1.611 1.00 0.00 C ATOM 1330 O VAL A 96 -7.383 -7.614 2.506 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.337 -5.520 0.656 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -6.116 -6.474 -0.508 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -6.036 -4.086 0.245 1.00 0.00 C ATOM 0 H VAL A 96 -7.683 -5.042 3.194 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.473 -5.366 0.389 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.651 -5.797 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.092 -6.377 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.289 -7.498 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.809 -6.231 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.013 -4.021 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.727 -3.780 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.152 -3.429 1.107 1.00 0.00 H new ATOM 1343 N PRO A 97 -9.013 -7.723 0.955 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.380 -9.112 1.248 1.00 0.00 C ATOM 1345 C PRO A 97 -8.302 -10.099 0.814 1.00 0.00 C ATOM 1346 O PRO A 97 -8.174 -10.414 -0.369 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.657 -9.321 0.431 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.559 -8.338 -0.684 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.834 -7.146 -0.123 1.00 0.00 C ATOM 0 HA PRO A 97 -9.509 -9.283 2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.723 -10.342 0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.547 -9.146 1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -10.018 -8.761 -1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.548 -8.058 -1.046 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.219 -6.657 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.528 -6.396 0.257 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.528 -10.586 1.779 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.462 -11.539 1.497 1.00 0.00 C ATOM 1359 C VAL A 98 -6.989 -12.970 1.499 1.00 0.00 C ATOM 1360 O VAL A 98 -7.342 -13.513 2.546 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.320 -11.424 2.524 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.278 -12.508 2.288 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.687 -10.042 2.463 1.00 0.00 C ATOM 0 H VAL A 98 -7.620 -10.336 2.764 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.076 -11.298 0.506 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.736 -11.565 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.479 -12.411 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.744 -13.488 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.864 -12.402 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.882 -9.978 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.284 -9.870 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.441 -9.287 2.685 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.041 -13.577 0.318 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.523 -14.946 0.181 1.00 0.00 C ATOM 1375 C LYS A 99 -6.362 -15.915 -0.017 1.00 0.00 C ATOM 1376 O LYS A 99 -5.232 -15.500 -0.274 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.495 -15.051 -0.997 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.503 -13.916 -1.057 1.00 0.00 C ATOM 1379 CD LYS A 99 -9.966 -13.656 -2.480 1.00 0.00 C ATOM 1380 CE LYS A 99 -11.378 -13.092 -2.513 1.00 0.00 C ATOM 1381 NZ LYS A 99 -11.383 -11.605 -2.439 1.00 0.00 N ATOM 0 H LYS A 99 -6.755 -13.142 -0.559 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.044 -15.214 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.926 -15.070 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.030 -15.998 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.363 -14.158 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.057 -13.010 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.283 -12.958 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.930 -14.584 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.875 -13.412 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.951 -13.499 -1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.254 -11.284 -1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.557 -11.282 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.342 -11.209 -3.400 1.00 0.00 H new ATOM 1395 N ASP A 100 -6.648 -17.206 0.104 1.00 0.00 N ATOM 1396 CA ASP A 100 -5.628 -18.235 -0.064 1.00 0.00 C ATOM 1397 C ASP A 100 -5.777 -18.933 -1.412 1.00 0.00 C ATOM 1398 O ASP A 100 -6.868 -19.364 -1.782 1.00 0.00 O ATOM 1399 CB ASP A 100 -5.716 -19.260 1.068 1.00 0.00 C ATOM 1400 CG ASP A 100 -7.144 -19.521 1.503 1.00 0.00 C ATOM 1401 OD1 ASP A 100 -7.838 -20.304 0.822 1.00 0.00 O ATOM 1402 OD2 ASP A 100 -7.569 -18.941 2.525 1.00 0.00 O ATOM 0 H ASP A 100 -7.578 -17.566 0.318 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.651 -17.752 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.262 -20.196 0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.138 -18.905 1.921 1.00 0.00 H new ATOM 1407 N VAL A 101 -4.671 -19.040 -2.142 1.00 0.00 N ATOM 1408 CA VAL A 101 -4.678 -19.685 -3.450 1.00 0.00 C ATOM 1409 C VAL A 101 -5.061 -21.156 -3.334 1.00 0.00 C ATOM 1410 O VAL A 101 -5.923 -21.644 -4.065 1.00 0.00 O ATOM 1411 CB VAL A 101 -3.304 -19.576 -4.137 1.00 0.00 C ATOM 1412 CG1 VAL A 101 -3.354 -20.180 -5.532 1.00 0.00 C ATOM 1413 CG2 VAL A 101 -2.850 -18.125 -4.192 1.00 0.00 C ATOM 0 H VAL A 101 -3.759 -18.688 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.420 -19.165 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.578 -20.139 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.374 -20.093 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.632 -21.232 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.092 -19.648 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.877 -18.066 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.575 -17.538 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.772 -17.730 -3.179 1.00 0.00 H new ATOM 1423 N VAL A 102 -4.413 -21.860 -2.411 1.00 0.00 N ATOM 1424 CA VAL A 102 -4.686 -23.276 -2.198 1.00 0.00 C ATOM 1425 C VAL A 102 -4.728 -23.610 -0.711 1.00 0.00 C ATOM 1426 O VAL A 102 -4.158 -22.894 0.113 1.00 0.00 O ATOM 1427 CB VAL A 102 -3.627 -24.161 -2.881 1.00 0.00 C ATOM 1428 CG1 VAL A 102 -3.853 -24.199 -4.385 1.00 0.00 C ATOM 1429 CG2 VAL A 102 -2.227 -23.663 -2.557 1.00 0.00 C ATOM 0 H VAL A 102 -3.695 -21.472 -1.799 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.661 -23.480 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.725 -25.176 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.095 -24.829 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.842 -24.606 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.784 -23.189 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.491 -24.300 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.114 -22.639 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.071 -23.693 -1.479 1.00 0.00 H new ATOM 1439 N ASP A 103 -5.407 -24.701 -0.374 1.00 0.00 N ATOM 1440 CA ASP A 103 -5.523 -25.132 1.014 1.00 0.00 C ATOM 1441 C ASP A 103 -4.631 -26.340 1.285 1.00 0.00 C ATOM 1442 O ASP A 103 -4.305 -27.115 0.386 1.00 0.00 O ATOM 1443 CB ASP A 103 -6.977 -25.471 1.346 1.00 0.00 C ATOM 1444 CG ASP A 103 -7.732 -26.016 0.149 1.00 0.00 C ATOM 1445 OD1 ASP A 103 -8.172 -25.205 -0.693 1.00 0.00 O ATOM 1446 OD2 ASP A 103 -7.883 -27.252 0.055 1.00 0.00 O ATOM 0 H ASP A 103 -5.886 -25.303 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 103 -5.195 -24.311 1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.001 -26.204 2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.481 -24.577 1.713 1.00 0.00 H new ATOM 1451 N PRO A 104 -4.226 -26.504 2.553 1.00 0.00 N ATOM 1452 CA PRO A 104 -3.366 -27.615 2.971 1.00 0.00 C ATOM 1453 C PRO A 104 -4.089 -28.957 2.925 1.00 0.00 C ATOM 1454 O PRO A 104 -5.308 -29.011 2.764 1.00 0.00 O ATOM 1455 CB PRO A 104 -2.997 -27.256 4.412 1.00 0.00 C ATOM 1456 CG PRO A 104 -4.112 -26.386 4.883 1.00 0.00 C ATOM 1457 CD PRO A 104 -4.576 -25.618 3.676 1.00 0.00 C ATOM 0 HA PRO A 104 -2.505 -27.733 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.903 -28.148 5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.041 -26.734 4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.923 -26.983 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -3.775 -25.711 5.669 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.647 -25.420 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.076 -24.653 3.597 1.00 0.00 H new ATOM 1465 N SER A 105 -3.330 -30.039 3.067 1.00 0.00 N ATOM 1466 CA SER A 105 -3.898 -31.381 3.039 1.00 0.00 C ATOM 1467 C SER A 105 -4.850 -31.593 4.212 1.00 0.00 C ATOM 1468 O SER A 105 -4.811 -30.857 5.197 1.00 0.00 O ATOM 1469 CB SER A 105 -2.786 -32.430 3.074 1.00 0.00 C ATOM 1470 OG SER A 105 -2.024 -32.407 1.879 1.00 0.00 O ATOM 0 H SER A 105 -2.319 -30.012 3.203 1.00 0.00 H new ATOM 0 HA SER A 105 -4.461 -31.490 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.134 -32.245 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.220 -33.420 3.213 1.00 0.00 H new ATOM 0 HG SER A 105 -1.319 -33.086 1.928 1.00 0.00 H new TER 1476 SER A 105