USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 834 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 23 ASN : amide:sc= 1.03 K(o=-0.21,f=-9.2!) USER MOD Set 1.2: B 205 LYS NZ :NH3+ 150:sc= 1.28 (180deg=0) USER MOD Set 1.3: B 211 GLN : amide:sc= -2.52! C(o=-0.21!,f=-1!) USER MOD Set 2.1: A 7 CYS SG : rot 114:sc= -0.338 USER MOD Set 2.2: A 62 SER OG : rot -107:sc= 0.978 USER MOD Single : A 1 SER N :NH3+ 167:sc= 0.0344 (180deg=-0.0809) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 6 LYS NZ :NH3+ 172:sc=-0.00437 (180deg=-0.103) USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.0494 (180deg=-0.286) USER MOD Single : A 10 MET CE :methyl 171:sc= -3.25 (180deg=-3.75) USER MOD Single : A 11 SER OG : rot -72:sc= 1.04 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.12) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.102 F(o=-1.5!,f=-0.1) USER MOD Single : A 19 SER OG : rot -50:sc= 0.971 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0187 (180deg=-0.235) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0145) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -2.74 K(o=-2.7,f=-5.7!) USER MOD Single : A 39 SER OG : rot -89:sc= 1.2 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -108:sc= -0.352 (180deg=-1.92!) USER MOD Single : A 46 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.71) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 58 THR OG1 : rot -65:sc= -0.108 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 164:sc= 1.29 USER MOD Single : A 70 TYR OH : rot -171:sc= 1.25 USER MOD Single : A 72 THR OG1 : rot -0:sc= -0.33 USER MOD Single : A 73 SER OG : rot -51:sc= 1.23 USER MOD Single : A 74 CYS SG : rot -16:sc= 0.0675 USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= -0.0775 (180deg=-0.376) USER MOD Single : A 78 LYS NZ :NH3+ 137:sc= 1.17 (180deg=0.278) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0.503 K(o=0.5,f=-0.08) USER MOD Single : B 204 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.11) USER MOD Single : B 206 LYS NZ :NH3+ 151:sc= -1.7! (180deg=-3.33!) USER MOD Single : B 208 LYS NZ :NH3+ -172:sc= -0.0032 (180deg=-0.0729) USER MOD Single : B 209 LYS NZ :NH3+ -172:sc=-0.000476 (180deg=-0.0711) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.029 0.126 10.097 1.00 0.00 N ATOM 2 CA SER A 1 -20.233 0.414 8.660 1.00 0.00 C ATOM 3 C SER A 1 -19.568 1.723 8.268 1.00 0.00 C ATOM 4 O SER A 1 -19.697 2.192 7.134 1.00 0.00 O ATOM 5 CB SER A 1 -21.726 0.483 8.373 1.00 0.00 C ATOM 6 OG SER A 1 -22.375 -0.699 8.813 1.00 0.00 O ATOM 0 H1 SER A 1 -20.665 -0.643 10.391 1.00 0.00 H new ATOM 0 H2 SER A 1 -19.042 -0.161 10.257 1.00 0.00 H new ATOM 0 H3 SER A 1 -20.236 0.979 10.655 1.00 0.00 H new ATOM 0 HA SER A 1 -19.779 -0.384 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 1 -22.158 1.349 8.874 1.00 0.00 H new ATOM 0 HB3 SER A 1 -21.890 0.618 7.304 1.00 0.00 H new ATOM 0 HG SER A 1 -23.334 -0.636 8.622 1.00 0.00 H new ATOM 14 N GLU A 2 -18.832 2.295 9.201 1.00 0.00 N ATOM 15 CA GLU A 2 -18.288 3.623 9.024 1.00 0.00 C ATOM 16 C GLU A 2 -16.955 3.589 8.297 1.00 0.00 C ATOM 17 O GLU A 2 -16.580 4.555 7.645 1.00 0.00 O ATOM 18 CB GLU A 2 -18.149 4.316 10.372 1.00 0.00 C ATOM 19 CG GLU A 2 -19.464 4.852 10.921 1.00 0.00 C ATOM 20 CD GLU A 2 -20.539 3.788 11.027 1.00 0.00 C ATOM 21 OE1 GLU A 2 -20.346 2.810 11.783 1.00 0.00 O ATOM 22 OE2 GLU A 2 -21.574 3.912 10.338 1.00 0.00 O ATOM 0 H GLU A 2 -18.598 1.857 10.092 1.00 0.00 H new ATOM 0 HA GLU A 2 -18.982 4.191 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.725 3.614 11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.442 5.140 10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.291 5.285 11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -19.819 5.657 10.277 1.00 0.00 H new ATOM 29 N GLU A 3 -16.257 2.464 8.371 1.00 0.00 N ATOM 30 CA GLU A 3 -14.991 2.316 7.651 1.00 0.00 C ATOM 31 C GLU A 3 -15.236 2.234 6.149 1.00 0.00 C ATOM 32 O GLU A 3 -14.297 2.204 5.356 1.00 0.00 O ATOM 33 CB GLU A 3 -14.213 1.086 8.132 1.00 0.00 C ATOM 34 CG GLU A 3 -13.615 1.260 9.516 1.00 0.00 C ATOM 35 CD GLU A 3 -12.516 2.303 9.537 1.00 0.00 C ATOM 36 OE1 GLU A 3 -12.824 3.501 9.716 1.00 0.00 O ATOM 37 OE2 GLU A 3 -11.336 1.932 9.358 1.00 0.00 O ATOM 0 H GLU A 3 -16.538 1.647 8.914 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.386 3.198 7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.878 0.222 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.414 0.869 7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.400 1.547 10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.215 0.306 9.860 1.00 0.00 H new ATOM 44 N GLU A 4 -16.504 2.203 5.770 1.00 0.00 N ATOM 45 CA GLU A 4 -16.886 2.197 4.372 1.00 0.00 C ATOM 46 C GLU A 4 -17.254 3.611 3.909 1.00 0.00 C ATOM 47 O GLU A 4 -17.071 3.959 2.742 1.00 0.00 O ATOM 48 CB GLU A 4 -18.060 1.237 4.161 1.00 0.00 C ATOM 49 CG GLU A 4 -18.402 0.991 2.704 1.00 0.00 C ATOM 50 CD GLU A 4 -19.629 0.122 2.541 1.00 0.00 C ATOM 51 OE1 GLU A 4 -19.508 -1.119 2.644 1.00 0.00 O ATOM 52 OE2 GLU A 4 -20.722 0.678 2.312 1.00 0.00 O ATOM 0 H GLU A 4 -17.290 2.181 6.420 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.040 1.856 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.826 0.284 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -18.939 1.637 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.567 1.946 2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.555 0.516 2.209 1.00 0.00 H new ATOM 59 N ASP A 5 -17.751 4.434 4.836 1.00 0.00 N ATOM 60 CA ASP A 5 -18.200 5.787 4.498 1.00 0.00 C ATOM 61 C ASP A 5 -17.149 6.837 4.862 1.00 0.00 C ATOM 62 O ASP A 5 -17.103 7.920 4.278 1.00 0.00 O ATOM 63 CB ASP A 5 -19.539 6.097 5.180 1.00 0.00 C ATOM 64 CG ASP A 5 -19.988 7.532 4.977 1.00 0.00 C ATOM 65 OD1 ASP A 5 -20.448 7.863 3.866 1.00 0.00 O ATOM 66 OD2 ASP A 5 -19.898 8.332 5.934 1.00 0.00 O ATOM 0 H ASP A 5 -17.852 4.189 5.821 1.00 0.00 H new ATOM 0 HA ASP A 5 -18.343 5.828 3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -20.303 5.424 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.452 5.897 6.248 1.00 0.00 H new ATOM 71 N LYS A 6 -16.305 6.510 5.831 1.00 0.00 N ATOM 72 CA LYS A 6 -15.210 7.393 6.230 1.00 0.00 C ATOM 73 C LYS A 6 -14.101 7.355 5.186 1.00 0.00 C ATOM 74 O LYS A 6 -13.305 8.289 5.066 1.00 0.00 O ATOM 75 CB LYS A 6 -14.656 6.978 7.602 1.00 0.00 C ATOM 76 CG LYS A 6 -13.626 7.938 8.182 1.00 0.00 C ATOM 77 CD LYS A 6 -14.211 9.321 8.413 1.00 0.00 C ATOM 78 CE LYS A 6 -13.216 10.247 9.093 1.00 0.00 C ATOM 79 NZ LYS A 6 -11.986 10.447 8.279 1.00 0.00 N ATOM 0 H LYS A 6 -16.355 5.638 6.358 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.594 8.410 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.486 6.888 8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.204 5.990 7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.249 7.541 9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.776 8.012 7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.515 9.751 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.109 9.239 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.688 11.212 9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.944 9.834 10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.398 11.187 8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.449 9.558 8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.250 10.737 7.316 1.00 0.00 H new ATOM 93 N CYS A 7 -14.072 6.276 4.423 1.00 0.00 N ATOM 94 CA CYS A 7 -13.037 6.069 3.428 1.00 0.00 C ATOM 95 C CYS A 7 -13.508 6.519 2.046 1.00 0.00 C ATOM 96 O CYS A 7 -14.589 6.140 1.595 1.00 0.00 O ATOM 97 CB CYS A 7 -12.641 4.597 3.400 1.00 0.00 C ATOM 98 SG CYS A 7 -12.039 3.985 4.990 1.00 0.00 S ATOM 0 H CYS A 7 -14.760 5.525 4.476 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.169 6.671 3.698 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.502 4.003 3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -11.867 4.451 2.646 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.865 3.095 5.453 1.00 0.00 H new ATOM 104 N LYS A 8 -12.689 7.326 1.384 1.00 0.00 N ATOM 105 CA LYS A 8 -13.023 7.859 0.064 1.00 0.00 C ATOM 106 C LYS A 8 -12.400 7.006 -1.033 1.00 0.00 C ATOM 107 O LYS A 8 -11.298 6.476 -0.877 1.00 0.00 O ATOM 108 CB LYS A 8 -12.546 9.313 -0.075 1.00 0.00 C ATOM 109 CG LYS A 8 -13.467 10.349 0.551 1.00 0.00 C ATOM 110 CD LYS A 8 -13.642 10.154 2.050 1.00 0.00 C ATOM 111 CE LYS A 8 -14.558 11.211 2.645 1.00 0.00 C ATOM 112 NZ LYS A 8 -14.021 12.585 2.456 1.00 0.00 N ATOM 0 H LYS A 8 -11.782 7.629 1.740 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.108 7.834 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.560 9.402 0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.430 9.543 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.066 11.345 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.442 10.301 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.053 9.163 2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.669 10.196 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.542 11.140 2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.692 11.017 3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.526 13.244 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.007 12.596 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.153 12.876 1.466 1.00 0.00 H new ATOM 126 N PRO A 9 -13.110 6.882 -2.161 1.00 0.00 N ATOM 127 CA PRO A 9 -12.691 6.041 -3.285 1.00 0.00 C ATOM 128 C PRO A 9 -11.397 6.532 -3.930 1.00 0.00 C ATOM 129 O PRO A 9 -11.192 7.734 -4.102 1.00 0.00 O ATOM 130 CB PRO A 9 -13.860 6.132 -4.272 1.00 0.00 C ATOM 131 CG PRO A 9 -14.596 7.373 -3.900 1.00 0.00 C ATOM 132 CD PRO A 9 -14.384 7.569 -2.422 1.00 0.00 C ATOM 0 HA PRO A 9 -12.476 5.021 -2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.503 6.180 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.505 5.256 -4.199 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.223 8.229 -4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.657 7.279 -4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.330 8.626 -2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.198 7.138 -1.840 1.00 0.00 H new ATOM 140 N MET A 10 -10.517 5.599 -4.264 1.00 0.00 N ATOM 141 CA MET A 10 -9.237 5.932 -4.876 1.00 0.00 C ATOM 142 C MET A 10 -9.307 5.714 -6.389 1.00 0.00 C ATOM 143 O MET A 10 -9.752 4.659 -6.843 1.00 0.00 O ATOM 144 CB MET A 10 -8.126 5.069 -4.273 1.00 0.00 C ATOM 145 CG MET A 10 -6.730 5.484 -4.699 1.00 0.00 C ATOM 146 SD MET A 10 -5.995 6.715 -3.613 1.00 0.00 S ATOM 147 CE MET A 10 -5.911 5.794 -2.087 1.00 0.00 C ATOM 0 H MET A 10 -10.667 4.600 -4.121 1.00 0.00 H new ATOM 0 HA MET A 10 -9.015 6.981 -4.680 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.193 5.114 -3.186 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.290 4.030 -4.559 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.088 4.603 -4.726 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.769 5.881 -5.713 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.334 6.357 -1.353 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.919 5.628 -1.706 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.428 4.833 -2.268 1.00 0.00 H new ATOM 157 N SER A 11 -8.881 6.702 -7.171 1.00 0.00 N ATOM 158 CA SER A 11 -8.931 6.590 -8.629 1.00 0.00 C ATOM 159 C SER A 11 -7.667 5.921 -9.186 1.00 0.00 C ATOM 160 O SER A 11 -6.747 5.604 -8.427 1.00 0.00 O ATOM 161 CB SER A 11 -9.131 7.971 -9.258 1.00 0.00 C ATOM 162 OG SER A 11 -8.141 8.886 -8.816 1.00 0.00 O ATOM 0 H SER A 11 -8.500 7.583 -6.825 1.00 0.00 H new ATOM 0 HA SER A 11 -9.779 5.957 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.093 7.887 -10.344 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.120 8.350 -9.002 1.00 0.00 H new ATOM 0 HG SER A 11 -8.314 9.130 -7.883 1.00 0.00 H new ATOM 168 N TYR A 12 -7.617 5.718 -10.506 1.00 0.00 N ATOM 169 CA TYR A 12 -6.511 4.997 -11.140 1.00 0.00 C ATOM 170 C TYR A 12 -5.169 5.690 -10.898 1.00 0.00 C ATOM 171 O TYR A 12 -4.215 5.062 -10.431 1.00 0.00 O ATOM 172 CB TYR A 12 -6.777 4.811 -12.651 1.00 0.00 C ATOM 173 CG TYR A 12 -5.541 4.906 -13.536 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.570 3.908 -13.538 1.00 0.00 C ATOM 175 CD2 TYR A 12 -5.348 6.000 -14.375 1.00 0.00 C ATOM 176 CE1 TYR A 12 -3.451 3.998 -14.341 1.00 0.00 C ATOM 177 CE2 TYR A 12 -4.229 6.095 -15.182 1.00 0.00 C ATOM 178 CZ TYR A 12 -3.285 5.090 -15.160 1.00 0.00 C ATOM 179 OH TYR A 12 -2.170 5.177 -15.960 1.00 0.00 O ATOM 0 H TYR A 12 -8.332 6.044 -11.157 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.451 4.011 -10.678 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.243 3.838 -12.806 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.496 5.564 -12.974 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.695 3.047 -12.899 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.085 6.789 -14.396 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.709 3.214 -14.326 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.095 6.952 -15.826 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.203 6.008 -16.478 1.00 0.00 H new ATOM 189 N GLU A 13 -5.100 6.981 -11.199 1.00 0.00 N ATOM 190 CA GLU A 13 -3.869 7.744 -11.039 1.00 0.00 C ATOM 191 C GLU A 13 -3.451 7.809 -9.583 1.00 0.00 C ATOM 192 O GLU A 13 -2.264 7.922 -9.266 1.00 0.00 O ATOM 193 CB GLU A 13 -4.051 9.149 -11.605 1.00 0.00 C ATOM 194 CG GLU A 13 -3.781 9.223 -13.095 1.00 0.00 C ATOM 195 CD GLU A 13 -2.308 9.067 -13.394 1.00 0.00 C ATOM 196 OE1 GLU A 13 -1.572 10.073 -13.313 1.00 0.00 O ATOM 197 OE2 GLU A 13 -1.869 7.937 -13.682 1.00 0.00 O ATOM 0 H GLU A 13 -5.886 7.523 -11.557 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.077 7.238 -11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.069 9.486 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.382 9.835 -11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.343 8.443 -13.608 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.134 10.178 -13.484 1.00 0.00 H new ATOM 204 N GLU A 14 -4.427 7.716 -8.703 1.00 0.00 N ATOM 205 CA GLU A 14 -4.170 7.713 -7.286 1.00 0.00 C ATOM 206 C GLU A 14 -3.600 6.372 -6.849 1.00 0.00 C ATOM 207 O GLU A 14 -2.634 6.319 -6.095 1.00 0.00 O ATOM 208 CB GLU A 14 -5.449 8.023 -6.534 1.00 0.00 C ATOM 209 CG GLU A 14 -5.817 9.494 -6.554 1.00 0.00 C ATOM 210 CD GLU A 14 -7.067 9.788 -5.762 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.173 9.598 -6.307 1.00 0.00 O ATOM 212 OE2 GLU A 14 -6.951 10.218 -4.597 1.00 0.00 O ATOM 0 H GLU A 14 -5.413 7.641 -8.952 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.432 8.482 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.266 7.446 -6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.342 7.697 -5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.990 10.078 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.961 9.815 -7.586 1.00 0.00 H new ATOM 219 N LYS A 15 -4.205 5.289 -7.329 1.00 0.00 N ATOM 220 CA LYS A 15 -3.684 3.945 -7.081 1.00 0.00 C ATOM 221 C LYS A 15 -2.270 3.803 -7.651 1.00 0.00 C ATOM 222 O LYS A 15 -1.429 3.114 -7.075 1.00 0.00 O ATOM 223 CB LYS A 15 -4.596 2.874 -7.681 1.00 0.00 C ATOM 224 CG LYS A 15 -5.920 2.717 -6.971 1.00 0.00 C ATOM 225 CD LYS A 15 -6.968 2.198 -7.926 1.00 0.00 C ATOM 226 CE LYS A 15 -8.031 1.419 -7.192 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.975 0.746 -8.122 1.00 0.00 N ATOM 0 H LYS A 15 -5.056 5.314 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.650 3.800 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.784 3.118 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.073 1.918 -7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.811 2.030 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.236 3.676 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.426 3.032 -8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.498 1.561 -8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.557 0.673 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.585 2.092 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.772 0.352 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.332 1.436 -8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.482 -0.021 -8.622 1.00 0.00 H new ATOM 241 N ARG A 16 -2.012 4.451 -8.791 1.00 0.00 N ATOM 242 CA ARG A 16 -0.665 4.473 -9.361 1.00 0.00 C ATOM 243 C ARG A 16 0.288 5.200 -8.428 1.00 0.00 C ATOM 244 O ARG A 16 1.353 4.684 -8.096 1.00 0.00 O ATOM 245 CB ARG A 16 -0.623 5.137 -10.739 1.00 0.00 C ATOM 246 CG ARG A 16 0.778 5.129 -11.319 1.00 0.00 C ATOM 247 CD ARG A 16 0.903 5.921 -12.606 1.00 0.00 C ATOM 248 NE ARG A 16 0.458 7.309 -12.478 1.00 0.00 N ATOM 249 CZ ARG A 16 1.233 8.317 -12.067 1.00 0.00 C ATOM 250 NH1 ARG A 16 2.488 8.097 -11.690 1.00 0.00 N ATOM 251 NH2 ARG A 16 0.754 9.550 -12.056 1.00 0.00 N ATOM 0 H ARG A 16 -2.711 4.962 -9.331 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.357 3.434 -9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.301 4.616 -11.415 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.979 6.164 -10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.470 5.536 -10.582 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.080 4.098 -11.505 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.943 5.909 -12.932 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.319 5.430 -13.385 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.510 7.522 -12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.869 7.151 -11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.070 8.874 -11.378 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.203 9.728 -12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.342 10.323 -11.743 1.00 0.00 H new ATOM 265 N GLN A 17 -0.115 6.394 -8.002 1.00 0.00 N ATOM 266 CA GLN A 17 0.677 7.195 -7.079 1.00 0.00 C ATOM 267 C GLN A 17 0.970 6.391 -5.829 1.00 0.00 C ATOM 268 O GLN A 17 2.093 6.356 -5.338 1.00 0.00 O ATOM 269 CB GLN A 17 -0.096 8.444 -6.681 1.00 0.00 C ATOM 270 CG GLN A 17 0.788 9.629 -6.325 1.00 0.00 C ATOM 271 CD GLN A 17 1.495 10.212 -7.532 1.00 0.00 C ATOM 272 OE1 GLN A 17 0.842 10.163 -8.681 1.00 0.00 O flip ATOM 273 NE2 GLN A 17 2.612 10.721 -7.427 1.00 0.00 N flip ATOM 0 H GLN A 17 -0.993 6.829 -8.285 1.00 0.00 H new ATOM 0 HA GLN A 17 1.608 7.477 -7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.755 8.728 -7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.732 8.209 -5.828 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.180 10.403 -5.856 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.530 9.316 -5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.082 10.738 -6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.067 11.125 -8.245 1.00 0.00 H new ATOM 282 N LEU A 18 -0.077 5.750 -5.350 1.00 0.00 N ATOM 283 CA LEU A 18 -0.034 4.890 -4.180 1.00 0.00 C ATOM 284 C LEU A 18 1.004 3.782 -4.364 1.00 0.00 C ATOM 285 O LEU A 18 1.860 3.564 -3.520 1.00 0.00 O ATOM 286 CB LEU A 18 -1.423 4.283 -3.996 1.00 0.00 C ATOM 287 CG LEU A 18 -1.847 3.887 -2.585 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.150 3.132 -2.657 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.799 3.057 -1.877 1.00 0.00 C ATOM 0 H LEU A 18 -1.004 5.813 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 18 0.250 5.469 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.153 4.997 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.486 3.396 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.970 4.800 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.460 2.845 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.914 3.767 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.019 2.237 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.151 2.802 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.617 2.143 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.127 3.627 -1.801 1.00 0.00 H new ATOM 301 N SER A 19 0.936 3.085 -5.482 1.00 0.00 N ATOM 302 CA SER A 19 1.860 1.996 -5.740 1.00 0.00 C ATOM 303 C SER A 19 3.296 2.520 -5.829 1.00 0.00 C ATOM 304 O SER A 19 4.267 1.781 -5.635 1.00 0.00 O ATOM 305 CB SER A 19 1.452 1.269 -7.020 1.00 0.00 C ATOM 306 OG SER A 19 1.956 1.913 -8.180 1.00 0.00 O ATOM 0 H SER A 19 0.255 3.251 -6.223 1.00 0.00 H new ATOM 0 HA SER A 19 1.821 1.286 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.818 0.243 -6.987 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.365 1.218 -7.077 1.00 0.00 H new ATOM 0 HG SER A 19 1.742 2.869 -8.143 1.00 0.00 H new ATOM 312 N LEU A 20 3.412 3.812 -6.093 1.00 0.00 N ATOM 313 CA LEU A 20 4.700 4.470 -6.202 1.00 0.00 C ATOM 314 C LEU A 20 5.160 4.996 -4.837 1.00 0.00 C ATOM 315 O LEU A 20 6.355 5.001 -4.539 1.00 0.00 O ATOM 316 CB LEU A 20 4.610 5.591 -7.235 1.00 0.00 C ATOM 317 CG LEU A 20 4.331 5.119 -8.656 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.486 6.265 -9.627 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.241 3.965 -9.032 1.00 0.00 C ATOM 0 H LEU A 20 2.615 4.432 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 20 5.447 3.750 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.823 6.283 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.546 6.150 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 20 3.303 4.761 -8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.284 5.914 -10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.783 7.057 -9.370 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.504 6.652 -9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.022 3.646 -10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.281 4.286 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.075 3.133 -8.348 1.00 0.00 H new ATOM 331 N ASP A 21 4.208 5.419 -4.005 1.00 0.00 N ATOM 332 CA ASP A 21 4.514 5.863 -2.642 1.00 0.00 C ATOM 333 C ASP A 21 4.749 4.665 -1.721 1.00 0.00 C ATOM 334 O ASP A 21 5.549 4.737 -0.787 1.00 0.00 O ATOM 335 CB ASP A 21 3.445 6.830 -2.099 1.00 0.00 C ATOM 336 CG ASP A 21 2.035 6.280 -1.996 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.844 5.195 -1.426 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.104 6.978 -2.467 1.00 0.00 O ATOM 0 H ASP A 21 3.219 5.464 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 21 5.443 6.432 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.756 7.163 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.423 7.711 -2.740 1.00 0.00 H new ATOM 343 N ILE A 22 4.093 3.551 -2.013 1.00 0.00 N ATOM 344 CA ILE A 22 4.401 2.291 -1.359 1.00 0.00 C ATOM 345 C ILE A 22 5.802 1.835 -1.733 1.00 0.00 C ATOM 346 O ILE A 22 6.544 1.309 -0.903 1.00 0.00 O ATOM 347 CB ILE A 22 3.364 1.213 -1.741 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.226 1.215 -0.725 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.989 -0.172 -1.864 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.062 0.335 -1.114 1.00 0.00 C ATOM 0 H ILE A 22 3.342 3.496 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 22 4.358 2.441 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 22 2.967 1.460 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.612 0.886 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.870 2.237 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.220 -0.896 -2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.759 -0.156 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.435 -0.456 -0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.293 0.388 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.649 0.676 -2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.403 -0.695 -1.216 1.00 0.00 H new ATOM 362 N ASN A 23 6.167 2.060 -2.988 1.00 0.00 N ATOM 363 CA ASN A 23 7.487 1.698 -3.470 1.00 0.00 C ATOM 364 C ASN A 23 8.555 2.610 -2.855 1.00 0.00 C ATOM 365 O ASN A 23 9.743 2.286 -2.852 1.00 0.00 O ATOM 366 CB ASN A 23 7.519 1.770 -4.999 1.00 0.00 C ATOM 367 CG ASN A 23 8.835 1.297 -5.596 1.00 0.00 C ATOM 368 OD1 ASN A 23 9.028 0.103 -5.828 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.736 2.224 -5.876 1.00 0.00 N ATOM 0 H ASN A 23 5.565 2.492 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 23 7.708 0.675 -3.165 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.707 1.164 -5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.335 2.798 -5.311 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.626 1.959 -6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.541 3.204 -5.670 1.00 0.00 H new ATOM 376 N LYS A 24 8.118 3.746 -2.324 1.00 0.00 N ATOM 377 CA LYS A 24 9.010 4.678 -1.641 1.00 0.00 C ATOM 378 C LYS A 24 9.354 4.182 -0.239 1.00 0.00 C ATOM 379 O LYS A 24 10.355 4.595 0.346 1.00 0.00 O ATOM 380 CB LYS A 24 8.366 6.057 -1.545 1.00 0.00 C ATOM 381 CG LYS A 24 8.580 6.947 -2.759 1.00 0.00 C ATOM 382 CD LYS A 24 7.800 8.249 -2.628 1.00 0.00 C ATOM 383 CE LYS A 24 8.188 9.264 -3.696 1.00 0.00 C ATOM 384 NZ LYS A 24 9.593 9.728 -3.543 1.00 0.00 N ATOM 0 H LYS A 24 7.144 4.046 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 24 9.928 4.745 -2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.295 5.932 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.760 6.566 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.642 7.165 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.266 6.420 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.733 8.040 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.975 8.678 -1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.059 8.819 -4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.516 10.121 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.735 10.595 -4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.787 9.924 -2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.241 8.989 -3.883 1.00 0.00 H new ATOM 398 N LEU A 25 8.513 3.309 0.297 1.00 0.00 N ATOM 399 CA LEU A 25 8.717 2.772 1.637 1.00 0.00 C ATOM 400 C LEU A 25 9.891 1.801 1.682 1.00 0.00 C ATOM 401 O LEU A 25 10.078 0.994 0.769 1.00 0.00 O ATOM 402 CB LEU A 25 7.456 2.066 2.133 1.00 0.00 C ATOM 403 CG LEU A 25 6.275 2.980 2.437 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.255 2.222 3.248 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.728 4.205 3.199 1.00 0.00 C ATOM 0 H LEU A 25 7.681 2.956 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 25 8.942 3.616 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.147 1.339 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.703 1.507 3.035 1.00 0.00 H new ATOM 0 HG LEU A 25 5.831 3.306 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.408 2.873 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.910 1.357 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.708 1.888 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.869 4.843 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.187 3.899 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.455 4.756 2.603 1.00 0.00 H new ATOM 417 N PRO A 26 10.710 1.882 2.747 1.00 0.00 N ATOM 418 CA PRO A 26 11.772 0.907 2.993 1.00 0.00 C ATOM 419 C PRO A 26 11.187 -0.448 3.383 1.00 0.00 C ATOM 420 O PRO A 26 10.065 -0.509 3.890 1.00 0.00 O ATOM 421 CB PRO A 26 12.567 1.508 4.158 1.00 0.00 C ATOM 422 CG PRO A 26 11.608 2.423 4.846 1.00 0.00 C ATOM 423 CD PRO A 26 10.668 2.934 3.784 1.00 0.00 C ATOM 0 HA PRO A 26 12.387 0.729 2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.926 0.732 4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.443 2.050 3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.061 1.895 5.627 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.135 3.247 5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.660 3.072 4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.993 3.897 3.391 1.00 0.00 H new ATOM 431 N GLY A 27 11.948 -1.515 3.157 1.00 0.00 N ATOM 432 CA GLY A 27 11.441 -2.869 3.346 1.00 0.00 C ATOM 433 C GLY A 27 10.715 -3.081 4.665 1.00 0.00 C ATOM 434 O GLY A 27 9.610 -3.619 4.694 1.00 0.00 O ATOM 0 H GLY A 27 12.917 -1.468 2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.763 -3.109 2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.274 -3.569 3.285 1.00 0.00 H new ATOM 438 N GLU A 28 11.321 -2.642 5.752 1.00 0.00 N ATOM 439 CA GLU A 28 10.737 -2.815 7.077 1.00 0.00 C ATOM 440 C GLU A 28 9.398 -2.075 7.205 1.00 0.00 C ATOM 441 O GLU A 28 8.423 -2.609 7.748 1.00 0.00 O ATOM 442 CB GLU A 28 11.716 -2.374 8.176 1.00 0.00 C ATOM 443 CG GLU A 28 12.788 -1.389 7.733 1.00 0.00 C ATOM 444 CD GLU A 28 13.874 -2.017 6.878 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.652 -2.841 7.400 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.944 -1.688 5.677 1.00 0.00 O ATOM 0 H GLU A 28 12.220 -2.161 5.748 1.00 0.00 H new ATOM 0 HA GLU A 28 10.539 -3.879 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.146 -1.924 8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.205 -3.260 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.318 -0.581 7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.245 -0.941 8.615 1.00 0.00 H new ATOM 453 N LYS A 29 9.330 -0.870 6.661 1.00 0.00 N ATOM 454 CA LYS A 29 8.117 -0.066 6.756 1.00 0.00 C ATOM 455 C LYS A 29 7.047 -0.594 5.806 1.00 0.00 C ATOM 456 O LYS A 29 5.849 -0.415 6.030 1.00 0.00 O ATOM 457 CB LYS A 29 8.409 1.404 6.436 1.00 0.00 C ATOM 458 CG LYS A 29 8.750 2.268 7.646 1.00 0.00 C ATOM 459 CD LYS A 29 9.915 1.707 8.437 1.00 0.00 C ATOM 460 CE LYS A 29 10.688 2.803 9.154 1.00 0.00 C ATOM 461 NZ LYS A 29 9.848 3.531 10.141 1.00 0.00 N ATOM 0 H LYS A 29 10.095 -0.427 6.151 1.00 0.00 H new ATOM 0 HA LYS A 29 7.751 -0.136 7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.238 1.449 5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.540 1.832 5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.991 3.278 7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.877 2.345 8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.546 0.985 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.585 1.169 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.547 2.366 9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.078 3.509 8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.440 4.198 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.101 4.055 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.414 2.850 10.797 1.00 0.00 H new ATOM 475 N LEU A 30 7.476 -1.263 4.752 1.00 0.00 N ATOM 476 CA LEU A 30 6.542 -1.776 3.769 1.00 0.00 C ATOM 477 C LEU A 30 5.916 -3.087 4.236 1.00 0.00 C ATOM 478 O LEU A 30 4.907 -3.525 3.698 1.00 0.00 O ATOM 479 CB LEU A 30 7.212 -1.863 2.384 1.00 0.00 C ATOM 480 CG LEU A 30 7.192 -3.195 1.621 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.831 -2.975 0.274 1.00 0.00 C ATOM 482 CD2 LEU A 30 7.941 -4.295 2.342 1.00 0.00 C ATOM 0 H LEU A 30 8.457 -1.462 4.556 1.00 0.00 H new ATOM 0 HA LEU A 30 5.711 -1.078 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.744 -1.113 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.255 -1.571 2.506 1.00 0.00 H new ATOM 0 HG LEU A 30 6.154 -3.515 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.828 -3.910 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.270 -2.220 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.858 -2.636 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.893 -5.213 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.983 -4.001 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.488 -4.464 3.319 1.00 0.00 H new ATOM 494 N GLY A 31 6.498 -3.698 5.261 1.00 0.00 N ATOM 495 CA GLY A 31 5.864 -4.852 5.876 1.00 0.00 C ATOM 496 C GLY A 31 4.551 -4.464 6.532 1.00 0.00 C ATOM 497 O GLY A 31 3.695 -5.312 6.785 1.00 0.00 O ATOM 0 H GLY A 31 7.388 -3.420 5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.686 -5.619 5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.532 -5.286 6.620 1.00 0.00 H new ATOM 501 N ARG A 32 4.394 -3.173 6.820 1.00 0.00 N ATOM 502 CA ARG A 32 3.119 -2.660 7.319 1.00 0.00 C ATOM 503 C ARG A 32 2.037 -2.749 6.259 1.00 0.00 C ATOM 504 O ARG A 32 0.941 -3.219 6.540 1.00 0.00 O ATOM 505 CB ARG A 32 3.219 -1.205 7.752 1.00 0.00 C ATOM 506 CG ARG A 32 1.889 -0.649 8.272 1.00 0.00 C ATOM 507 CD ARG A 32 1.877 -0.483 9.788 1.00 0.00 C ATOM 508 NE ARG A 32 1.561 0.887 10.182 1.00 0.00 N ATOM 509 CZ ARG A 32 2.042 1.480 11.273 1.00 0.00 C ATOM 510 NH1 ARG A 32 2.864 0.825 12.088 1.00 0.00 N ATOM 511 NH2 ARG A 32 1.691 2.727 11.552 1.00 0.00 N ATOM 0 H ARG A 32 5.125 -2.469 6.718 1.00 0.00 H new ATOM 0 HA ARG A 32 2.864 -3.281 8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.976 -1.113 8.531 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.555 -0.602 6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.694 0.315 7.803 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.080 -1.317 7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.145 -1.164 10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.850 -0.762 10.192 1.00 0.00 H new ATOM 0 HE ARG A 32 0.932 1.423 9.584 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.130 -0.137 11.879 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.229 1.285 12.922 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.055 3.229 10.932 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.057 3.185 12.387 1.00 0.00 H new ATOM 525 N VAL A 33 2.328 -2.268 5.050 1.00 0.00 N ATOM 526 CA VAL A 33 1.327 -2.278 3.984 1.00 0.00 C ATOM 527 C VAL A 33 0.846 -3.693 3.725 1.00 0.00 C ATOM 528 O VAL A 33 -0.351 -3.933 3.639 1.00 0.00 O ATOM 529 CB VAL A 33 1.817 -1.644 2.661 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.112 -0.328 2.433 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.310 -1.406 2.643 1.00 0.00 C ATOM 0 H VAL A 33 3.231 -1.874 4.787 1.00 0.00 H new ATOM 0 HA VAL A 33 0.505 -1.658 4.341 1.00 0.00 H new ATOM 0 HB VAL A 33 1.583 -2.353 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.461 0.115 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.037 -0.497 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.329 0.349 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.596 -0.960 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.581 -0.732 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.831 -2.355 2.770 1.00 0.00 H new ATOM 541 N VAL A 34 1.786 -4.621 3.623 1.00 0.00 N ATOM 542 CA VAL A 34 1.459 -6.049 3.546 1.00 0.00 C ATOM 543 C VAL A 34 0.501 -6.440 4.681 1.00 0.00 C ATOM 544 O VAL A 34 -0.455 -7.169 4.460 1.00 0.00 O ATOM 545 CB VAL A 34 2.729 -6.959 3.594 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.977 -6.203 3.183 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.923 -7.616 4.952 1.00 0.00 C ATOM 0 H VAL A 34 2.785 -4.417 3.591 1.00 0.00 H new ATOM 0 HA VAL A 34 0.976 -6.209 2.582 1.00 0.00 H new ATOM 0 HB VAL A 34 2.559 -7.755 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.838 -6.870 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.859 -5.833 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.132 -5.362 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.819 -8.237 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.033 -6.846 5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.057 -8.236 5.183 1.00 0.00 H new ATOM 557 N HIS A 35 0.743 -5.914 5.885 1.00 0.00 N ATOM 558 CA HIS A 35 -0.073 -6.245 7.047 1.00 0.00 C ATOM 559 C HIS A 35 -1.458 -5.614 6.933 1.00 0.00 C ATOM 560 O HIS A 35 -2.466 -6.282 7.145 1.00 0.00 O ATOM 561 CB HIS A 35 0.623 -5.794 8.341 1.00 0.00 C ATOM 562 CG HIS A 35 -0.183 -6.036 9.586 1.00 0.00 C ATOM 563 ND1 HIS A 35 -0.281 -7.269 10.194 1.00 0.00 N ATOM 564 CD2 HIS A 35 -0.934 -5.192 10.333 1.00 0.00 C ATOM 565 CE1 HIS A 35 -1.057 -7.173 11.257 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.466 -5.924 11.364 1.00 0.00 N ATOM 0 H HIS A 35 1.499 -5.257 6.076 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.195 -7.328 7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.575 -6.317 8.430 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.849 -4.730 8.268 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.086 -4.138 10.151 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.314 -7.981 11.926 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.078 -5.561 12.095 1.00 0.00 H new ATOM 575 N ILE A 36 -1.501 -4.329 6.596 1.00 0.00 N ATOM 576 CA ILE A 36 -2.766 -3.631 6.403 1.00 0.00 C ATOM 577 C ILE A 36 -3.574 -4.329 5.321 1.00 0.00 C ATOM 578 O ILE A 36 -4.775 -4.546 5.452 1.00 0.00 O ATOM 579 CB ILE A 36 -2.544 -2.157 5.995 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.719 -1.454 7.074 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.887 -1.460 5.784 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.204 -0.091 6.675 1.00 0.00 C ATOM 0 H ILE A 36 -0.674 -3.750 6.451 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.305 -3.649 7.350 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.997 -2.114 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.329 -1.350 7.971 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.871 -2.087 7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.717 -0.422 5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.441 -1.969 4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.462 -1.491 6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.630 0.336 7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.565 -0.186 5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.045 0.562 6.442 1.00 0.00 H new ATOM 594 N ILE A 37 -2.877 -4.700 4.268 1.00 0.00 N ATOM 595 CA ILE A 37 -3.469 -5.390 3.146 1.00 0.00 C ATOM 596 C ILE A 37 -3.941 -6.797 3.536 1.00 0.00 C ATOM 597 O ILE A 37 -5.120 -7.066 3.487 1.00 0.00 O ATOM 598 CB ILE A 37 -2.469 -5.423 1.983 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.405 -4.051 1.326 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.829 -6.493 0.977 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.156 -3.830 0.529 1.00 0.00 C ATOM 0 H ILE A 37 -1.876 -4.529 4.168 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.358 -4.847 2.824 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.484 -5.673 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.270 -3.928 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.476 -3.284 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.101 -6.490 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.824 -7.468 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.822 -6.294 0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.177 -2.833 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.287 -3.921 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.094 -4.575 -0.264 1.00 0.00 H new ATOM 613 N GLN A 38 -3.030 -7.674 3.953 1.00 0.00 N ATOM 614 CA GLN A 38 -3.392 -9.049 4.356 1.00 0.00 C ATOM 615 C GLN A 38 -4.558 -9.076 5.354 1.00 0.00 C ATOM 616 O GLN A 38 -5.380 -9.994 5.336 1.00 0.00 O ATOM 617 CB GLN A 38 -2.198 -9.769 4.996 1.00 0.00 C ATOM 618 CG GLN A 38 -1.075 -10.108 4.037 1.00 0.00 C ATOM 619 CD GLN A 38 0.099 -10.782 4.728 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.250 -10.608 4.334 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.186 -11.575 5.751 1.00 0.00 N ATOM 0 H GLN A 38 -2.034 -7.466 4.024 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.695 -9.559 3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.799 -9.143 5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.552 -10.690 5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.456 -10.763 3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.730 -9.196 3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.154 -11.695 6.049 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.563 -12.066 6.240 1.00 0.00 H new ATOM 630 N SER A 39 -4.612 -8.084 6.238 1.00 0.00 N ATOM 631 CA SER A 39 -5.651 -8.030 7.260 1.00 0.00 C ATOM 632 C SER A 39 -6.981 -7.551 6.673 1.00 0.00 C ATOM 633 O SER A 39 -8.032 -8.149 6.919 1.00 0.00 O ATOM 634 CB SER A 39 -5.215 -7.110 8.405 1.00 0.00 C ATOM 635 OG SER A 39 -5.000 -5.784 7.954 1.00 0.00 O ATOM 0 H SER A 39 -3.950 -7.309 6.267 1.00 0.00 H new ATOM 0 HA SER A 39 -5.798 -9.038 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.977 -7.111 9.184 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.300 -7.495 8.854 1.00 0.00 H new ATOM 0 HG SER A 39 -4.068 -5.683 7.667 1.00 0.00 H new ATOM 641 N ARG A 40 -6.927 -6.474 5.894 1.00 0.00 N ATOM 642 CA ARG A 40 -8.125 -5.900 5.292 1.00 0.00 C ATOM 643 C ARG A 40 -8.534 -6.669 4.044 1.00 0.00 C ATOM 644 O ARG A 40 -9.651 -6.522 3.548 1.00 0.00 O ATOM 645 CB ARG A 40 -7.912 -4.409 4.990 1.00 0.00 C ATOM 646 CG ARG A 40 -7.803 -3.596 6.247 1.00 0.00 C ATOM 647 CD ARG A 40 -7.574 -2.133 5.976 1.00 0.00 C ATOM 648 NE ARG A 40 -7.495 -1.398 7.240 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.537 -0.074 7.359 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.534 0.699 6.285 1.00 0.00 N ATOM 651 NH2 ARG A 40 -7.565 0.478 8.563 1.00 0.00 N ATOM 0 H ARG A 40 -6.064 -5.981 5.665 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.943 -5.985 6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.006 -4.284 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.741 -4.038 4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.715 -3.714 6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.984 -3.981 6.854 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.653 -1.999 5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.385 -1.736 5.365 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.400 -1.944 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.499 0.280 5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.566 1.713 6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.554 -0.112 9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.597 1.493 8.658 1.00 0.00 H new ATOM 665 N GLU A 41 -7.627 -7.499 3.565 1.00 0.00 N ATOM 666 CA GLU A 41 -7.871 -8.361 2.421 1.00 0.00 C ATOM 667 C GLU A 41 -7.584 -9.806 2.802 1.00 0.00 C ATOM 668 O GLU A 41 -6.532 -10.344 2.453 1.00 0.00 O ATOM 669 CB GLU A 41 -6.951 -7.998 1.264 1.00 0.00 C ATOM 670 CG GLU A 41 -6.748 -6.516 1.051 1.00 0.00 C ATOM 671 CD GLU A 41 -7.999 -5.786 0.593 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.816 -6.396 -0.127 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.170 -4.601 0.959 1.00 0.00 O ATOM 0 H GLU A 41 -6.692 -7.596 3.961 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.911 -8.233 2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.979 -8.462 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.356 -8.429 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.398 -6.069 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.961 -6.369 0.311 1.00 0.00 H new ATOM 680 N PRO A 42 -8.498 -10.472 3.512 1.00 0.00 N ATOM 681 CA PRO A 42 -8.266 -11.837 3.975 1.00 0.00 C ATOM 682 C PRO A 42 -8.190 -12.834 2.818 1.00 0.00 C ATOM 683 O PRO A 42 -7.851 -14.003 3.008 1.00 0.00 O ATOM 684 CB PRO A 42 -9.476 -12.142 4.868 1.00 0.00 C ATOM 685 CG PRO A 42 -10.139 -10.826 5.110 1.00 0.00 C ATOM 686 CD PRO A 42 -9.812 -9.966 3.926 1.00 0.00 C ATOM 0 HA PRO A 42 -7.313 -11.926 4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.157 -12.840 4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.165 -12.602 5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.217 -10.947 5.216 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.777 -10.372 6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.553 -10.069 3.134 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.774 -8.909 4.191 1.00 0.00 H new ATOM 694 N SER A 43 -8.505 -12.358 1.620 1.00 0.00 N ATOM 695 CA SER A 43 -8.406 -13.166 0.414 1.00 0.00 C ATOM 696 C SER A 43 -6.949 -13.469 0.077 1.00 0.00 C ATOM 697 O SER A 43 -6.655 -14.384 -0.695 1.00 0.00 O ATOM 698 CB SER A 43 -9.063 -12.430 -0.751 1.00 0.00 C ATOM 699 OG SER A 43 -10.421 -12.141 -0.464 1.00 0.00 O ATOM 0 H SER A 43 -8.834 -11.406 1.459 1.00 0.00 H new ATOM 0 HA SER A 43 -8.920 -14.111 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.524 -11.504 -0.952 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.999 -13.038 -1.653 1.00 0.00 H new ATOM 0 HG SER A 43 -10.822 -11.668 -1.223 1.00 0.00 H new ATOM 705 N LEU A 44 -6.039 -12.701 0.663 1.00 0.00 N ATOM 706 CA LEU A 44 -4.620 -12.872 0.410 1.00 0.00 C ATOM 707 C LEU A 44 -3.853 -13.102 1.713 1.00 0.00 C ATOM 708 O LEU A 44 -2.665 -12.809 1.815 1.00 0.00 O ATOM 709 CB LEU A 44 -4.090 -11.654 -0.359 1.00 0.00 C ATOM 710 CG LEU A 44 -4.295 -10.299 0.289 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.038 -9.867 1.007 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.693 -9.284 -0.764 1.00 0.00 C ATOM 0 H LEU A 44 -6.263 -11.952 1.318 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.467 -13.760 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.022 -11.794 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.565 -11.638 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.096 -10.369 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.199 -8.892 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.790 -10.597 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.216 -9.800 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.840 -8.311 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.906 -9.210 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.621 -9.600 -1.242 1.00 0.00 H new ATOM 724 N LYS A 45 -4.543 -13.666 2.699 1.00 0.00 N ATOM 725 CA LYS A 45 -3.944 -13.943 4.004 1.00 0.00 C ATOM 726 C LYS A 45 -2.918 -15.076 3.912 1.00 0.00 C ATOM 727 O LYS A 45 -2.061 -15.220 4.783 1.00 0.00 O ATOM 728 CB LYS A 45 -5.026 -14.309 5.029 1.00 0.00 C ATOM 729 CG LYS A 45 -5.688 -15.658 4.782 1.00 0.00 C ATOM 730 CD LYS A 45 -6.811 -15.944 5.773 1.00 0.00 C ATOM 731 CE LYS A 45 -6.273 -16.203 7.170 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.088 -14.951 7.958 1.00 0.00 N ATOM 0 H LYS A 45 -5.522 -13.942 2.620 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.433 -13.037 4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.582 -14.312 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.793 -13.534 5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.087 -15.684 3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.938 -16.446 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.498 -15.098 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.382 -16.809 5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.958 -16.864 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.319 -16.725 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.073 -14.748 8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.554 -14.161 7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.508 -15.070 8.902 1.00 0.00 H new ATOM 746 N ASN A 46 -3.015 -15.879 2.853 1.00 0.00 N ATOM 747 CA ASN A 46 -2.096 -16.998 2.646 1.00 0.00 C ATOM 748 C ASN A 46 -0.766 -16.502 2.072 1.00 0.00 C ATOM 749 O ASN A 46 0.184 -17.270 1.894 1.00 0.00 O ATOM 750 CB ASN A 46 -2.728 -18.026 1.699 1.00 0.00 C ATOM 751 CG ASN A 46 -1.917 -19.304 1.582 1.00 0.00 C ATOM 752 OD1 ASN A 46 -1.290 -19.750 2.544 1.00 0.00 O ATOM 753 ND2 ASN A 46 -1.920 -19.899 0.400 1.00 0.00 N ATOM 0 H ASN A 46 -3.721 -15.775 2.124 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.902 -17.472 3.608 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.730 -18.269 2.053 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.838 -17.581 0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.390 -20.759 0.261 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.452 -19.497 -0.372 1.00 0.00 H new ATOM 760 N SER A 47 -0.709 -15.212 1.783 1.00 0.00 N ATOM 761 CA SER A 47 0.493 -14.598 1.244 1.00 0.00 C ATOM 762 C SER A 47 1.493 -14.299 2.361 1.00 0.00 C ATOM 763 O SER A 47 1.109 -13.933 3.473 1.00 0.00 O ATOM 764 CB SER A 47 0.127 -13.317 0.501 1.00 0.00 C ATOM 765 OG SER A 47 -0.761 -13.583 -0.576 1.00 0.00 O ATOM 0 H SER A 47 -1.487 -14.566 1.914 1.00 0.00 H new ATOM 0 HA SER A 47 0.961 -15.293 0.547 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.336 -12.612 1.192 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.032 -12.843 0.121 1.00 0.00 H new ATOM 0 HG SER A 47 -0.980 -12.745 -1.034 1.00 0.00 H new ATOM 771 N ASN A 48 2.774 -14.475 2.059 1.00 0.00 N ATOM 772 CA ASN A 48 3.837 -14.225 3.027 1.00 0.00 C ATOM 773 C ASN A 48 4.050 -12.726 3.185 1.00 0.00 C ATOM 774 O ASN A 48 4.045 -11.987 2.201 1.00 0.00 O ATOM 775 CB ASN A 48 5.150 -14.864 2.568 1.00 0.00 C ATOM 776 CG ASN A 48 5.039 -16.349 2.284 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.664 -16.754 1.184 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.397 -17.173 3.253 1.00 0.00 N ATOM 0 H ASN A 48 3.104 -14.791 1.147 1.00 0.00 H new ATOM 0 HA ASN A 48 3.539 -14.664 3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.496 -14.356 1.668 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.908 -14.705 3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.368 -18.181 3.102 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.703 -16.801 4.152 1.00 0.00 H new ATOM 785 N PRO A 49 4.263 -12.267 4.428 1.00 0.00 N ATOM 786 CA PRO A 49 4.408 -10.840 4.749 1.00 0.00 C ATOM 787 C PRO A 49 5.599 -10.165 4.065 1.00 0.00 C ATOM 788 O PRO A 49 5.674 -8.939 4.008 1.00 0.00 O ATOM 789 CB PRO A 49 4.606 -10.823 6.268 1.00 0.00 C ATOM 790 CG PRO A 49 5.005 -12.207 6.636 1.00 0.00 C ATOM 791 CD PRO A 49 4.352 -13.110 5.632 1.00 0.00 C ATOM 0 HA PRO A 49 3.539 -10.283 4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.374 -10.105 6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.689 -10.531 6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.089 -12.319 6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.680 -12.450 7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.944 -14.007 5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.368 -13.439 5.967 1.00 0.00 H new ATOM 799 N ASP A 50 6.539 -10.952 3.569 1.00 0.00 N ATOM 800 CA ASP A 50 7.695 -10.392 2.871 1.00 0.00 C ATOM 801 C ASP A 50 7.642 -10.698 1.380 1.00 0.00 C ATOM 802 O ASP A 50 8.605 -10.443 0.654 1.00 0.00 O ATOM 803 CB ASP A 50 9.008 -10.924 3.455 1.00 0.00 C ATOM 804 CG ASP A 50 9.219 -10.511 4.896 1.00 0.00 C ATOM 805 OD1 ASP A 50 9.641 -9.358 5.137 1.00 0.00 O ATOM 806 OD2 ASP A 50 8.964 -11.339 5.797 1.00 0.00 O ATOM 0 H ASP A 50 6.530 -11.970 3.633 1.00 0.00 H new ATOM 0 HA ASP A 50 7.659 -9.312 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.015 -12.012 3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.841 -10.562 2.852 1.00 0.00 H new ATOM 811 N GLU A 51 6.517 -11.240 0.925 1.00 0.00 N ATOM 812 CA GLU A 51 6.349 -11.604 -0.465 1.00 0.00 C ATOM 813 C GLU A 51 4.961 -11.207 -0.933 1.00 0.00 C ATOM 814 O GLU A 51 4.390 -11.828 -1.835 1.00 0.00 O ATOM 815 CB GLU A 51 6.539 -13.103 -0.627 1.00 0.00 C ATOM 816 CG GLU A 51 7.990 -13.552 -0.664 1.00 0.00 C ATOM 817 CD GLU A 51 8.133 -15.052 -0.564 1.00 0.00 C ATOM 818 OE1 GLU A 51 7.908 -15.746 -1.578 1.00 0.00 O ATOM 819 OE2 GLU A 51 8.473 -15.547 0.530 1.00 0.00 O ATOM 0 H GLU A 51 5.705 -11.436 1.510 1.00 0.00 H new ATOM 0 HA GLU A 51 7.092 -11.082 -1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.035 -13.612 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.049 -13.422 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.450 -13.207 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.533 -13.083 0.156 1.00 0.00 H new ATOM 826 N ILE A 52 4.420 -10.182 -0.296 1.00 0.00 N ATOM 827 CA ILE A 52 3.053 -9.765 -0.538 1.00 0.00 C ATOM 828 C ILE A 52 2.891 -9.195 -1.934 1.00 0.00 C ATOM 829 O ILE A 52 3.831 -8.682 -2.537 1.00 0.00 O ATOM 830 CB ILE A 52 2.581 -8.748 0.527 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.078 -8.873 0.763 1.00 0.00 C ATOM 832 CG2 ILE A 52 2.910 -7.327 0.114 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.655 -10.239 1.201 1.00 0.00 C ATOM 0 H ILE A 52 4.913 -9.620 0.398 1.00 0.00 H new ATOM 0 HA ILE A 52 2.422 -10.651 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 52 3.111 -8.975 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.775 -8.148 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.551 -8.615 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.566 -6.636 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.988 -7.224 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.413 -7.098 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.425 -10.255 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.927 -10.967 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.154 -10.492 2.136 1.00 0.00 H new ATOM 845 N GLU A 53 1.695 -9.324 -2.448 1.00 0.00 N ATOM 846 CA GLU A 53 1.370 -8.797 -3.756 1.00 0.00 C ATOM 847 C GLU A 53 0.238 -7.796 -3.576 1.00 0.00 C ATOM 848 O GLU A 53 -0.930 -8.176 -3.450 1.00 0.00 O ATOM 849 CB GLU A 53 0.981 -9.953 -4.703 1.00 0.00 C ATOM 850 CG GLU A 53 1.025 -9.632 -6.193 1.00 0.00 C ATOM 851 CD GLU A 53 -0.097 -8.733 -6.664 1.00 0.00 C ATOM 852 OE1 GLU A 53 -1.244 -9.227 -6.782 1.00 0.00 O ATOM 853 OE2 GLU A 53 0.170 -7.549 -6.945 1.00 0.00 O ATOM 0 H GLU A 53 0.921 -9.793 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 53 2.224 -8.293 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.647 -10.794 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.027 -10.281 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.978 -9.156 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.990 -10.565 -6.756 1.00 0.00 H new ATOM 860 N ILE A 54 0.599 -6.522 -3.500 1.00 0.00 N ATOM 861 CA ILE A 54 -0.361 -5.468 -3.302 1.00 0.00 C ATOM 862 C ILE A 54 -1.187 -5.271 -4.573 1.00 0.00 C ATOM 863 O ILE A 54 -0.708 -4.715 -5.565 1.00 0.00 O ATOM 864 CB ILE A 54 0.345 -4.147 -2.941 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.264 -4.322 -1.726 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.672 -3.060 -2.682 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.856 -3.015 -1.239 1.00 0.00 C ATOM 0 H ILE A 54 1.564 -6.201 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.016 -5.753 -2.479 1.00 0.00 H new ATOM 0 HB ILE A 54 0.964 -3.854 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.701 -4.784 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.072 -5.007 -1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.157 -2.133 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.276 -2.906 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.317 -3.355 -1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.497 -3.204 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.445 -2.563 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.053 -2.337 -0.951 1.00 0.00 H new ATOM 879 N ASP A 55 -2.420 -5.744 -4.538 1.00 0.00 N ATOM 880 CA ASP A 55 -3.315 -5.635 -5.681 1.00 0.00 C ATOM 881 C ASP A 55 -4.287 -4.489 -5.456 1.00 0.00 C ATOM 882 O ASP A 55 -5.325 -4.658 -4.821 1.00 0.00 O ATOM 883 CB ASP A 55 -4.080 -6.943 -5.895 1.00 0.00 C ATOM 884 CG ASP A 55 -4.986 -6.902 -7.110 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.050 -6.261 -7.042 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.644 -7.523 -8.134 1.00 0.00 O ATOM 0 H ASP A 55 -2.828 -6.210 -3.727 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.724 -5.437 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.368 -7.761 -6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.677 -7.158 -5.009 1.00 0.00 H new ATOM 891 N PHE A 56 -3.945 -3.331 -5.995 1.00 0.00 N ATOM 892 CA PHE A 56 -4.671 -2.095 -5.722 1.00 0.00 C ATOM 893 C PHE A 56 -6.093 -2.099 -6.284 1.00 0.00 C ATOM 894 O PHE A 56 -6.880 -1.196 -6.002 1.00 0.00 O ATOM 895 CB PHE A 56 -3.886 -0.911 -6.271 1.00 0.00 C ATOM 896 CG PHE A 56 -2.541 -0.748 -5.620 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.436 -0.163 -4.373 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.386 -1.183 -6.244 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.226 -0.008 -3.760 1.00 0.00 C ATOM 900 CE2 PHE A 56 -0.161 -1.031 -5.628 1.00 0.00 C ATOM 901 CZ PHE A 56 -0.084 -0.437 -4.382 1.00 0.00 C ATOM 0 H PHE A 56 -3.158 -3.218 -6.634 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.769 -2.010 -4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.751 -1.038 -7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.466 0.001 -6.128 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.330 0.179 -3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.443 -1.644 -7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.170 0.453 -2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.737 -1.376 -6.119 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.875 -0.312 -3.900 1.00 0.00 H new ATOM 911 N GLU A 57 -6.424 -3.117 -7.060 1.00 0.00 N ATOM 912 CA GLU A 57 -7.752 -3.234 -7.635 1.00 0.00 C ATOM 913 C GLU A 57 -8.697 -3.931 -6.664 1.00 0.00 C ATOM 914 O GLU A 57 -9.853 -3.531 -6.509 1.00 0.00 O ATOM 915 CB GLU A 57 -7.676 -3.996 -8.956 1.00 0.00 C ATOM 916 CG GLU A 57 -6.983 -3.208 -10.053 1.00 0.00 C ATOM 917 CD GLU A 57 -7.751 -1.961 -10.447 1.00 0.00 C ATOM 918 OE1 GLU A 57 -7.554 -0.900 -9.819 1.00 0.00 O ATOM 919 OE2 GLU A 57 -8.555 -2.032 -11.397 1.00 0.00 O ATOM 0 H GLU A 57 -5.789 -3.876 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.145 -2.235 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.144 -4.934 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.685 -4.252 -9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.985 -2.925 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.857 -3.845 -10.929 1.00 0.00 H new ATOM 926 N THR A 58 -8.195 -4.966 -6.003 1.00 0.00 N ATOM 927 CA THR A 58 -8.984 -5.706 -5.034 1.00 0.00 C ATOM 928 C THR A 58 -8.902 -5.069 -3.651 1.00 0.00 C ATOM 929 O THR A 58 -9.816 -5.231 -2.840 1.00 0.00 O ATOM 930 CB THR A 58 -8.548 -7.182 -4.957 1.00 0.00 C ATOM 931 OG1 THR A 58 -7.126 -7.270 -4.805 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.976 -7.935 -6.206 1.00 0.00 C ATOM 0 H THR A 58 -7.242 -5.311 -6.123 1.00 0.00 H new ATOM 0 HA THR A 58 -10.019 -5.670 -5.375 1.00 0.00 H new ATOM 0 HB THR A 58 -9.032 -7.635 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.689 -6.926 -5.612 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.658 -8.975 -6.131 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.061 -7.893 -6.302 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.516 -7.478 -7.082 1.00 0.00 H new ATOM 940 N LEU A 59 -7.809 -4.345 -3.388 1.00 0.00 N ATOM 941 CA LEU A 59 -7.665 -3.603 -2.144 1.00 0.00 C ATOM 942 C LEU A 59 -8.845 -2.671 -1.962 1.00 0.00 C ATOM 943 O LEU A 59 -9.180 -1.899 -2.867 1.00 0.00 O ATOM 944 CB LEU A 59 -6.380 -2.795 -2.129 1.00 0.00 C ATOM 945 CG LEU A 59 -5.110 -3.623 -2.159 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.895 -2.739 -2.039 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.130 -4.659 -1.057 1.00 0.00 C ATOM 0 H LEU A 59 -7.015 -4.261 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.629 -4.323 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.380 -2.123 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.370 -2.171 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.058 -4.141 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.995 -3.353 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.875 -2.033 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.936 -2.191 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.212 -5.245 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.206 -4.161 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.987 -5.319 -1.193 1.00 0.00 H new ATOM 959 N LYS A 60 -9.490 -2.763 -0.817 1.00 0.00 N ATOM 960 CA LYS A 60 -10.614 -1.898 -0.518 1.00 0.00 C ATOM 961 C LYS A 60 -10.142 -0.455 -0.405 1.00 0.00 C ATOM 962 O LYS A 60 -9.012 -0.210 0.021 1.00 0.00 O ATOM 963 CB LYS A 60 -11.293 -2.327 0.782 1.00 0.00 C ATOM 964 CG LYS A 60 -11.912 -3.711 0.723 1.00 0.00 C ATOM 965 CD LYS A 60 -12.608 -4.064 2.026 1.00 0.00 C ATOM 966 CE LYS A 60 -11.632 -4.089 3.190 1.00 0.00 C ATOM 967 NZ LYS A 60 -12.309 -4.431 4.466 1.00 0.00 N ATOM 0 H LYS A 60 -9.256 -3.427 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.338 -1.977 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.561 -2.301 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.068 -1.603 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.628 -3.756 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.138 -4.449 0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.396 -3.339 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.088 -5.038 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.845 -4.816 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.151 -3.115 3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.612 -4.439 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.043 -3.723 4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.747 -5.371 4.386 1.00 0.00 H new ATOM 981 N PRO A 61 -10.975 0.517 -0.814 1.00 0.00 N ATOM 982 CA PRO A 61 -10.671 1.935 -0.644 1.00 0.00 C ATOM 983 C PRO A 61 -10.133 2.241 0.754 1.00 0.00 C ATOM 984 O PRO A 61 -9.214 3.044 0.914 1.00 0.00 O ATOM 985 CB PRO A 61 -12.021 2.614 -0.858 1.00 0.00 C ATOM 986 CG PRO A 61 -12.758 1.711 -1.779 1.00 0.00 C ATOM 987 CD PRO A 61 -12.254 0.310 -1.518 1.00 0.00 C ATOM 0 HA PRO A 61 -9.897 2.276 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.555 2.739 0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.900 3.607 -1.290 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.832 1.774 -1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.587 1.996 -2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.957 -0.260 -0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.114 -0.243 -2.447 1.00 0.00 H new ATOM 995 N SER A 62 -10.702 1.570 1.754 1.00 0.00 N ATOM 996 CA SER A 62 -10.260 1.706 3.134 1.00 0.00 C ATOM 997 C SER A 62 -8.771 1.371 3.260 1.00 0.00 C ATOM 998 O SER A 62 -8.004 2.127 3.857 1.00 0.00 O ATOM 999 CB SER A 62 -11.088 0.783 4.032 1.00 0.00 C ATOM 1000 OG SER A 62 -12.471 0.865 3.711 1.00 0.00 O ATOM 0 H SER A 62 -11.478 0.921 1.628 1.00 0.00 H new ATOM 0 HA SER A 62 -10.404 2.739 3.449 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.745 -0.245 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.937 1.055 5.077 1.00 0.00 H new ATOM 0 HG SER A 62 -12.942 1.357 4.416 1.00 0.00 H new ATOM 1006 N THR A 63 -8.370 0.237 2.689 1.00 0.00 N ATOM 1007 CA THR A 63 -6.976 -0.179 2.708 1.00 0.00 C ATOM 1008 C THR A 63 -6.132 0.808 1.926 1.00 0.00 C ATOM 1009 O THR A 63 -5.171 1.341 2.455 1.00 0.00 O ATOM 1010 CB THR A 63 -6.801 -1.591 2.103 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.971 -2.373 2.383 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.569 -2.301 2.669 1.00 0.00 C ATOM 0 H THR A 63 -8.995 -0.409 2.207 1.00 0.00 H new ATOM 0 HA THR A 63 -6.650 -0.206 3.748 1.00 0.00 H new ATOM 0 HB THR A 63 -6.662 -1.483 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.988 -3.158 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.480 -3.290 2.219 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.677 -1.718 2.442 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.671 -2.402 3.750 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.533 1.079 0.687 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.776 1.956 -0.199 1.00 0.00 C ATOM 1022 C LEU A 64 -5.519 3.312 0.438 1.00 0.00 C ATOM 1023 O LEU A 64 -4.395 3.805 0.421 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.516 2.140 -1.520 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.676 0.881 -2.356 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.621 1.138 -3.513 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.322 0.414 -2.856 1.00 0.00 C ATOM 0 H LEU A 64 -7.384 0.700 0.272 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.812 1.481 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.506 2.545 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.986 2.885 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.104 0.093 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.728 0.229 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.596 1.436 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.220 1.934 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.447 -0.489 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.871 1.195 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.674 0.199 -2.006 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.558 3.907 1.007 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.420 5.203 1.647 1.00 0.00 C ATOM 1041 C ARG A 65 -5.522 5.112 2.870 1.00 0.00 C ATOM 1042 O ARG A 65 -4.846 6.077 3.215 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.781 5.777 2.020 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.592 6.241 0.819 1.00 0.00 C ATOM 1045 CD ARG A 65 -7.951 7.435 0.132 1.00 0.00 C ATOM 1046 NE ARG A 65 -8.694 7.850 -1.055 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.201 8.665 -1.988 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -6.994 9.198 -1.838 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -8.913 8.960 -3.068 1.00 0.00 N ATOM 0 H ARG A 65 -7.499 3.514 1.038 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.953 5.880 0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.349 5.021 2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.639 6.617 2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.689 5.421 0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.600 6.505 1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.893 8.268 0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.928 7.184 -0.150 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.643 7.497 -1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.442 8.984 -1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.619 9.821 -2.553 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.845 8.562 -3.189 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.529 9.584 -3.777 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.489 3.952 3.516 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.595 3.768 4.636 1.00 0.00 C ATOM 1065 C GLU A 66 -3.175 3.527 4.156 1.00 0.00 C ATOM 1066 O GLU A 66 -2.260 4.156 4.650 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.050 2.640 5.547 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.061 2.387 6.665 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.691 1.722 7.865 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.448 2.402 8.590 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.431 0.530 8.102 1.00 0.00 O ATOM 0 H GLU A 66 -6.063 3.142 3.283 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.615 4.688 5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.023 2.886 5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.178 1.729 4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.251 1.761 6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.617 3.334 6.972 1.00 0.00 H new ATOM 1078 N LEU A 67 -2.995 2.619 3.198 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.686 2.398 2.579 1.00 0.00 C ATOM 1080 C LEU A 67 -1.074 3.744 2.181 1.00 0.00 C ATOM 1081 O LEU A 67 0.052 4.059 2.559 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.829 1.491 1.346 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.747 0.286 1.538 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.960 -0.430 0.227 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.166 -0.674 2.557 1.00 0.00 C ATOM 0 H LEU A 67 -3.738 2.024 2.833 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.028 1.905 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.206 2.088 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.840 1.134 1.059 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.707 0.649 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.617 -1.286 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.417 0.252 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.001 -0.774 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.836 -1.525 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.193 -1.024 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.051 -0.164 3.513 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.862 4.544 1.466 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.461 5.885 1.040 1.00 0.00 C ATOM 1099 C GLU A 68 -1.114 6.780 2.238 1.00 0.00 C ATOM 1100 O GLU A 68 0.001 7.274 2.357 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.604 6.520 0.242 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.309 7.912 -0.274 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.565 8.659 -0.677 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.320 9.090 0.222 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.794 8.839 -1.889 1.00 0.00 O ATOM 0 H GLU A 68 -2.800 4.280 1.164 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.568 5.794 0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.842 5.875 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.492 6.560 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.785 8.478 0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.639 7.844 -1.131 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.076 6.981 3.130 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.892 7.856 4.289 1.00 0.00 C ATOM 1114 C ARG A 69 -0.854 7.304 5.257 1.00 0.00 C ATOM 1115 O ARG A 69 -0.320 8.020 6.108 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.225 8.044 4.992 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.166 8.996 4.249 1.00 0.00 C ATOM 1118 CD ARG A 69 -4.845 10.030 5.143 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.090 10.503 4.542 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.215 10.726 5.219 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -7.276 10.491 6.526 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -8.287 11.184 4.585 1.00 0.00 N ATOM 0 H ARG A 69 -2.998 6.549 3.075 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.522 8.818 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.711 7.075 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.048 8.428 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.601 9.516 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.933 8.409 3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.051 9.592 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.173 10.872 5.307 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.098 10.674 3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.457 10.137 7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.142 10.665 7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.248 11.364 3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.150 11.356 5.101 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.570 6.031 5.136 1.00 0.00 N ATOM 1137 CA TYR A 70 0.464 5.421 5.931 1.00 0.00 C ATOM 1138 C TYR A 70 1.825 5.823 5.395 1.00 0.00 C ATOM 1139 O TYR A 70 2.686 6.288 6.144 1.00 0.00 O ATOM 1140 CB TYR A 70 0.331 3.908 5.925 1.00 0.00 C ATOM 1141 CG TYR A 70 1.563 3.228 6.436 1.00 0.00 C ATOM 1142 CD1 TYR A 70 2.046 3.478 7.713 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.256 2.360 5.624 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.196 2.870 8.164 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.404 1.749 6.062 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.874 2.007 7.336 1.00 0.00 C ATOM 1147 OH TYR A 70 5.026 1.404 7.778 1.00 0.00 O ATOM 0 H TYR A 70 -1.042 5.396 4.492 1.00 0.00 H new ATOM 0 HA TYR A 70 0.361 5.769 6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.522 3.618 6.538 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.125 3.567 4.910 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.513 4.158 8.361 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.891 2.157 4.628 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.562 3.069 9.160 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.938 1.070 5.414 1.00 0.00 H new ATOM 0 HH TYR A 70 5.459 0.939 7.032 1.00 0.00 H new ATOM 1157 N VAL A 71 2.016 5.668 4.092 1.00 0.00 N ATOM 1158 CA VAL A 71 3.286 6.013 3.492 1.00 0.00 C ATOM 1159 C VAL A 71 3.548 7.495 3.681 1.00 0.00 C ATOM 1160 O VAL A 71 4.678 7.899 3.876 1.00 0.00 O ATOM 1161 CB VAL A 71 3.363 5.694 1.983 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.894 4.292 1.671 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.587 6.690 1.169 1.00 0.00 C ATOM 0 H VAL A 71 1.315 5.310 3.443 1.00 0.00 H new ATOM 0 HA VAL A 71 4.037 5.403 3.994 1.00 0.00 H new ATOM 0 HB VAL A 71 4.416 5.764 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.967 4.114 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.519 3.573 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.858 4.176 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.663 6.435 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.540 6.671 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.994 7.688 1.331 1.00 0.00 H new ATOM 1173 N THR A 72 2.487 8.302 3.661 1.00 0.00 N ATOM 1174 CA THR A 72 2.641 9.742 3.733 1.00 0.00 C ATOM 1175 C THR A 72 3.248 10.157 5.062 1.00 0.00 C ATOM 1176 O THR A 72 3.993 11.133 5.140 1.00 0.00 O ATOM 1177 CB THR A 72 1.312 10.479 3.516 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.333 10.043 4.458 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.822 10.230 2.110 1.00 0.00 C ATOM 0 H THR A 72 1.522 7.979 3.596 1.00 0.00 H new ATOM 0 HA THR A 72 3.316 10.025 2.926 1.00 0.00 H new ATOM 0 HB THR A 72 1.475 11.547 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.721 9.356 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.122 10.753 1.956 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.561 10.596 1.397 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.673 9.161 1.961 1.00 0.00 H new ATOM 1187 N SER A 73 2.944 9.390 6.099 1.00 0.00 N ATOM 1188 CA SER A 73 3.517 9.627 7.412 1.00 0.00 C ATOM 1189 C SER A 73 5.031 9.373 7.382 1.00 0.00 C ATOM 1190 O SER A 73 5.782 9.891 8.209 1.00 0.00 O ATOM 1191 CB SER A 73 2.829 8.730 8.444 1.00 0.00 C ATOM 1192 OG SER A 73 3.311 7.400 8.385 1.00 0.00 O ATOM 0 H SER A 73 2.303 8.598 6.054 1.00 0.00 H new ATOM 0 HA SER A 73 3.356 10.667 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.993 9.133 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.753 8.735 8.271 1.00 0.00 H new ATOM 0 HG SER A 73 3.277 7.081 7.459 1.00 0.00 H new ATOM 1198 N CYS A 74 5.462 8.565 6.414 1.00 0.00 N ATOM 1199 CA CYS A 74 6.878 8.241 6.238 1.00 0.00 C ATOM 1200 C CYS A 74 7.512 9.068 5.117 1.00 0.00 C ATOM 1201 O CYS A 74 8.717 9.315 5.122 1.00 0.00 O ATOM 1202 CB CYS A 74 7.049 6.743 5.948 1.00 0.00 C ATOM 1203 SG CYS A 74 8.753 6.237 5.620 1.00 0.00 S ATOM 0 H CYS A 74 4.845 8.119 5.734 1.00 0.00 H new ATOM 0 HA CYS A 74 7.391 8.489 7.167 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.671 6.175 6.798 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.432 6.479 5.089 1.00 0.00 H new ATOM 0 HG CYS A 74 9.475 7.286 5.360 1.00 0.00 H new ATOM 1209 N LEU A 75 6.699 9.478 4.154 1.00 0.00 N ATOM 1210 CA LEU A 75 7.186 10.130 2.949 1.00 0.00 C ATOM 1211 C LEU A 75 7.009 11.640 3.017 1.00 0.00 C ATOM 1212 O LEU A 75 7.962 12.395 2.830 1.00 0.00 O ATOM 1213 CB LEU A 75 6.441 9.566 1.736 1.00 0.00 C ATOM 1214 CG LEU A 75 6.503 8.051 1.589 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.956 7.638 0.236 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.929 7.554 1.772 1.00 0.00 C ATOM 0 H LEU A 75 5.685 9.368 4.187 1.00 0.00 H new ATOM 0 HA LEU A 75 8.254 9.930 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.395 9.867 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.850 10.020 0.834 1.00 0.00 H new ATOM 0 HG LEU A 75 5.887 7.597 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.004 6.553 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.920 7.964 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.550 8.099 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.953 6.470 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.572 8.009 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.285 7.827 2.765 1.00 0.00 H new ATOM 1228 N ARG A 76 5.787 12.079 3.275 1.00 0.00 N ATOM 1229 CA ARG A 76 5.497 13.500 3.366 1.00 0.00 C ATOM 1230 C ARG A 76 5.972 14.045 4.702 1.00 0.00 C ATOM 1231 O ARG A 76 6.535 15.137 4.787 1.00 0.00 O ATOM 1232 CB ARG A 76 4.011 13.762 3.187 1.00 0.00 C ATOM 1233 CG ARG A 76 3.526 13.429 1.796 1.00 0.00 C ATOM 1234 CD ARG A 76 2.121 13.927 1.576 1.00 0.00 C ATOM 1235 NE ARG A 76 2.043 15.389 1.624 1.00 0.00 N ATOM 1236 CZ ARG A 76 1.158 16.111 0.935 1.00 0.00 C ATOM 1237 NH1 ARG A 76 0.257 15.509 0.171 1.00 0.00 N ATOM 1238 NH2 ARG A 76 1.170 17.435 1.017 1.00 0.00 N ATOM 0 H ARG A 76 4.981 11.472 3.425 1.00 0.00 H new ATOM 0 HA ARG A 76 6.031 14.012 2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.452 13.173 3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.803 14.811 3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.193 13.876 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.560 12.350 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.759 13.576 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.463 13.504 2.335 1.00 0.00 H new ATOM 0 HE ARG A 76 2.705 15.885 2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.239 14.491 0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.418 16.064 -0.355 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.857 17.903 1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.492 17.985 0.489 1.00 0.00 H new ATOM 1252 N LYS A 77 5.757 13.256 5.739 1.00 0.00 N ATOM 1253 CA LYS A 77 6.177 13.611 7.079 1.00 0.00 C ATOM 1254 C LYS A 77 7.537 12.986 7.369 1.00 0.00 C ATOM 1255 O LYS A 77 7.879 11.962 6.771 1.00 0.00 O ATOM 1256 CB LYS A 77 5.141 13.112 8.087 1.00 0.00 C ATOM 1257 CG LYS A 77 5.294 13.701 9.475 1.00 0.00 C ATOM 1258 CD LYS A 77 4.305 13.081 10.444 1.00 0.00 C ATOM 1259 CE LYS A 77 4.249 13.852 11.749 1.00 0.00 C ATOM 1260 NZ LYS A 77 3.696 15.219 11.562 1.00 0.00 N ATOM 0 H LYS A 77 5.287 12.353 5.675 1.00 0.00 H new ATOM 0 HA LYS A 77 6.260 14.695 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.144 13.345 7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.210 12.026 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.310 13.537 9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.141 14.779 9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.314 13.059 9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.588 12.047 10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.635 13.307 12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.251 13.921 12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.374 15.592 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.433 15.842 11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.893 15.181 10.902 1.00 0.00 H new ATOM 1274 N LYS A 78 8.303 13.615 8.265 1.00 0.00 N ATOM 1275 CA LYS A 78 9.622 13.115 8.679 1.00 0.00 C ATOM 1276 C LYS A 78 10.646 13.251 7.554 1.00 0.00 C ATOM 1277 O LYS A 78 10.394 12.863 6.415 1.00 0.00 O ATOM 1278 CB LYS A 78 9.530 11.647 9.123 1.00 0.00 C ATOM 1279 CG LYS A 78 10.844 11.066 9.623 1.00 0.00 C ATOM 1280 CD LYS A 78 11.236 11.643 10.973 1.00 0.00 C ATOM 1281 CE LYS A 78 12.487 10.978 11.529 1.00 0.00 C ATOM 1282 NZ LYS A 78 13.679 11.204 10.669 1.00 0.00 N ATOM 0 H LYS A 78 8.029 14.484 8.724 1.00 0.00 H new ATOM 0 HA LYS A 78 9.953 13.723 9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.784 11.564 9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.175 11.047 8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.756 9.982 9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.632 11.270 8.898 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.407 12.715 10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.413 11.515 11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.686 11.363 12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.312 9.907 11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.500 11.428 11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.877 10.345 10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.495 11.997 10.022 1.00 0.00 H new ATOM 1296 N ARG A 79 11.800 13.813 7.865 1.00 0.00 N ATOM 1297 CA ARG A 79 12.885 13.852 6.901 1.00 0.00 C ATOM 1298 C ARG A 79 13.818 12.666 7.141 1.00 0.00 C ATOM 1299 O ARG A 79 14.315 12.481 8.251 1.00 0.00 O ATOM 1300 CB ARG A 79 13.637 15.199 6.956 1.00 0.00 C ATOM 1301 CG ARG A 79 14.396 15.481 8.250 1.00 0.00 C ATOM 1302 CD ARG A 79 15.867 15.095 8.133 1.00 0.00 C ATOM 1303 NE ARG A 79 16.634 15.475 9.319 1.00 0.00 N ATOM 1304 CZ ARG A 79 17.964 15.416 9.398 1.00 0.00 C ATOM 1305 NH1 ARG A 79 18.675 14.963 8.374 1.00 0.00 N ATOM 1306 NH2 ARG A 79 18.582 15.809 10.506 1.00 0.00 N ATOM 0 H ARG A 79 12.009 14.244 8.766 1.00 0.00 H new ATOM 0 HA ARG A 79 12.473 13.770 5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 79 14.344 15.234 6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.918 16.002 6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.315 16.540 8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.938 14.927 9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.947 14.019 7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 79 16.298 15.575 7.254 1.00 0.00 H new ATOM 0 HE ARG A 79 16.120 15.805 10.136 1.00 0.00 H new ATOM 0 HH11 ARG A 79 18.205 14.658 7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 79 19.692 14.920 8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 79 18.039 16.156 11.297 1.00 0.00 H new ATOM 0 HH22 ARG A 79 19.599 15.764 10.566 1.00 0.00 H new ATOM 1320 N LYS A 80 13.998 11.845 6.106 1.00 0.00 N ATOM 1321 CA LYS A 80 14.858 10.660 6.168 1.00 0.00 C ATOM 1322 C LYS A 80 14.365 9.653 7.217 1.00 0.00 C ATOM 1323 O LYS A 80 14.613 9.804 8.413 1.00 0.00 O ATOM 1324 CB LYS A 80 16.314 11.065 6.442 1.00 0.00 C ATOM 1325 CG LYS A 80 17.298 9.901 6.428 1.00 0.00 C ATOM 1326 CD LYS A 80 17.229 9.110 5.128 1.00 0.00 C ATOM 1327 CE LYS A 80 17.636 9.946 3.924 1.00 0.00 C ATOM 1328 NZ LYS A 80 17.446 9.203 2.651 1.00 0.00 N ATOM 0 H LYS A 80 13.552 11.982 5.199 1.00 0.00 H new ATOM 0 HA LYS A 80 14.811 10.167 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.623 11.797 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.366 11.559 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 80 18.310 10.280 6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.087 9.238 7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.880 8.239 5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.214 8.739 4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.047 10.863 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.681 10.240 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.734 9.804 1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.027 8.341 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.444 8.944 2.546 1.00 0.00 H new ATOM 1342 N PRO A 81 13.649 8.611 6.774 1.00 0.00 N ATOM 1343 CA PRO A 81 13.141 7.562 7.654 1.00 0.00 C ATOM 1344 C PRO A 81 14.177 6.468 7.911 1.00 0.00 C ATOM 1345 O PRO A 81 14.196 5.436 7.236 1.00 0.00 O ATOM 1346 CB PRO A 81 11.955 7.011 6.866 1.00 0.00 C ATOM 1347 CG PRO A 81 12.336 7.189 5.431 1.00 0.00 C ATOM 1348 CD PRO A 81 13.273 8.372 5.369 1.00 0.00 C ATOM 0 HA PRO A 81 12.882 7.935 8.645 1.00 0.00 H new ATOM 0 HB2 PRO A 81 11.777 5.962 7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 81 11.038 7.551 7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.821 6.292 5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.453 7.363 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.147 8.156 4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.785 9.244 4.934 1.00 0.00 H new ATOM 1356 N GLN A 82 15.047 6.707 8.878 1.00 0.00 N ATOM 1357 CA GLN A 82 16.074 5.740 9.239 1.00 0.00 C ATOM 1358 C GLN A 82 15.976 5.384 10.713 1.00 0.00 C ATOM 1359 O GLN A 82 15.358 6.107 11.496 1.00 0.00 O ATOM 1360 CB GLN A 82 17.465 6.294 8.929 1.00 0.00 C ATOM 1361 CG GLN A 82 17.750 6.432 7.443 1.00 0.00 C ATOM 1362 CD GLN A 82 17.842 5.094 6.738 1.00 0.00 C ATOM 1363 OE1 GLN A 82 18.918 4.502 6.644 1.00 0.00 O ATOM 1364 NE2 GLN A 82 16.720 4.607 6.237 1.00 0.00 N ATOM 0 H GLN A 82 15.064 7.565 9.430 1.00 0.00 H new ATOM 0 HA GLN A 82 15.915 4.838 8.648 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.572 7.270 9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.215 5.640 9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.964 7.028 6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.685 6.975 7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.849 5.128 6.336 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.725 3.710 5.752 1.00 0.00 H new ATOM 1373 N ALA A 83 16.578 4.269 11.085 1.00 0.00 N ATOM 1374 CA ALA A 83 16.606 3.846 12.472 1.00 0.00 C ATOM 1375 C ALA A 83 17.811 4.451 13.175 1.00 0.00 C ATOM 1376 O ALA A 83 17.632 5.443 13.915 1.00 0.00 O ATOM 1377 CB ALA A 83 16.631 2.329 12.561 1.00 0.00 C ATOM 1378 OXT ALA A 83 18.939 3.962 12.955 1.00 0.00 O ATOM 0 H ALA A 83 17.056 3.638 10.442 1.00 0.00 H new ATOM 0 HA ALA A 83 15.703 4.199 12.970 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.652 2.026 13.608 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.740 1.922 12.083 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.519 1.949 12.056 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N VAL B 201 -5.595 1.209 -15.059 1.00 0.00 N ATOM 1386 CA VAL B 201 -5.076 -0.172 -14.972 1.00 0.00 C ATOM 1387 C VAL B 201 -3.736 -0.189 -14.247 1.00 0.00 C ATOM 1388 O VAL B 201 -2.754 0.375 -14.728 1.00 0.00 O ATOM 1389 CB VAL B 201 -4.902 -0.803 -16.370 1.00 0.00 C ATOM 1390 CG1 VAL B 201 -4.460 -2.257 -16.256 1.00 0.00 C ATOM 1391 CG2 VAL B 201 -6.189 -0.693 -17.174 1.00 0.00 C ATOM 0 HA VAL B 201 -5.807 -0.758 -14.415 1.00 0.00 H new ATOM 0 HB VAL B 201 -4.123 -0.252 -16.897 1.00 0.00 H new ATOM 0 HG11 VAL B 201 -4.344 -2.681 -17.253 1.00 0.00 H new ATOM 0 HG12 VAL B 201 -3.508 -2.308 -15.727 1.00 0.00 H new ATOM 0 HG13 VAL B 201 -5.211 -2.824 -15.706 1.00 0.00 H new ATOM 0 HG21 VAL B 201 -6.044 -1.144 -18.156 1.00 0.00 H new ATOM 0 HG22 VAL B 201 -6.991 -1.214 -16.650 1.00 0.00 H new ATOM 0 HG23 VAL B 201 -6.455 0.357 -17.293 1.00 0.00 H new ATOM 1403 N VAL B 202 -3.703 -0.822 -13.086 1.00 0.00 N ATOM 1404 CA VAL B 202 -2.475 -0.929 -12.312 1.00 0.00 C ATOM 1405 C VAL B 202 -1.830 -2.293 -12.541 1.00 0.00 C ATOM 1406 O VAL B 202 -2.476 -3.324 -12.352 1.00 0.00 O ATOM 1407 CB VAL B 202 -2.736 -0.725 -10.800 1.00 0.00 C ATOM 1408 CG1 VAL B 202 -1.438 -0.787 -10.008 1.00 0.00 C ATOM 1409 CG2 VAL B 202 -3.447 0.597 -10.553 1.00 0.00 C ATOM 0 H VAL B 202 -4.513 -1.270 -12.657 1.00 0.00 H new ATOM 0 HA VAL B 202 -1.801 -0.142 -12.649 1.00 0.00 H new ATOM 0 HB VAL B 202 -3.380 -1.535 -10.458 1.00 0.00 H new ATOM 0 HG11 VAL B 202 -1.651 -0.641 -8.949 1.00 0.00 H new ATOM 0 HG12 VAL B 202 -0.970 -1.760 -10.153 1.00 0.00 H new ATOM 0 HG13 VAL B 202 -0.763 -0.004 -10.354 1.00 0.00 H new ATOM 0 HG21 VAL B 202 -3.622 0.722 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL B 202 -2.828 1.417 -10.918 1.00 0.00 H new ATOM 0 HG23 VAL B 202 -4.401 0.601 -11.079 1.00 0.00 H new ATOM 1419 N PRO B 203 -0.550 -2.318 -12.951 1.00 0.00 N ATOM 1420 CA PRO B 203 0.171 -3.565 -13.252 1.00 0.00 C ATOM 1421 C PRO B 203 0.597 -4.336 -11.998 1.00 0.00 C ATOM 1422 O PRO B 203 1.662 -4.961 -11.977 1.00 0.00 O ATOM 1423 CB PRO B 203 1.399 -3.073 -14.020 1.00 0.00 C ATOM 1424 CG PRO B 203 1.651 -1.707 -13.485 1.00 0.00 C ATOM 1425 CD PRO B 203 0.298 -1.128 -13.168 1.00 0.00 C ATOM 0 HA PRO B 203 -0.453 -4.269 -13.802 1.00 0.00 H new ATOM 0 HB2 PRO B 203 2.256 -3.727 -13.859 1.00 0.00 H new ATOM 0 HB3 PRO B 203 1.213 -3.051 -15.094 1.00 0.00 H new ATOM 0 HG2 PRO B 203 2.277 -1.747 -12.593 1.00 0.00 H new ATOM 0 HG3 PRO B 203 2.176 -1.093 -14.216 1.00 0.00 H new ATOM 0 HD2 PRO B 203 0.332 -0.493 -12.282 1.00 0.00 H new ATOM 0 HD3 PRO B 203 -0.076 -0.513 -13.987 1.00 0.00 H new ATOM 1433 N LYS B 204 -0.254 -4.291 -10.970 1.00 0.00 N ATOM 1434 CA LYS B 204 -0.023 -4.989 -9.700 1.00 0.00 C ATOM 1435 C LYS B 204 1.223 -4.449 -8.992 1.00 0.00 C ATOM 1436 O LYS B 204 1.909 -3.559 -9.506 1.00 0.00 O ATOM 1437 CB LYS B 204 0.125 -6.501 -9.927 1.00 0.00 C ATOM 1438 CG LYS B 204 -0.950 -7.117 -10.814 1.00 0.00 C ATOM 1439 CD LYS B 204 -2.350 -6.840 -10.297 1.00 0.00 C ATOM 1440 CE LYS B 204 -3.399 -7.534 -11.152 1.00 0.00 C ATOM 1441 NZ LYS B 204 -4.781 -7.185 -10.731 1.00 0.00 N ATOM 0 H LYS B 204 -1.128 -3.766 -10.994 1.00 0.00 H new ATOM 0 HA LYS B 204 -0.890 -4.809 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS B 204 1.101 -6.694 -10.373 1.00 0.00 H new ATOM 0 HB3 LYS B 204 0.111 -7.003 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS B 204 -0.854 -6.722 -11.826 1.00 0.00 H new ATOM 0 HG3 LYS B 204 -0.794 -8.194 -10.876 1.00 0.00 H new ATOM 0 HD2 LYS B 204 -2.434 -7.182 -9.265 1.00 0.00 H new ATOM 0 HD3 LYS B 204 -2.533 -5.765 -10.293 1.00 0.00 H new ATOM 0 HE2 LYS B 204 -3.257 -7.256 -12.196 1.00 0.00 H new ATOM 0 HE3 LYS B 204 -3.262 -8.614 -11.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 204 -5.461 -7.568 -11.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 204 -4.971 -7.592 -9.793 1.00 0.00 H new ATOM 0 HZ3 LYS B 204 -4.879 -6.151 -10.686 1.00 0.00 H new ATOM 1455 N LYS B 205 1.512 -4.969 -7.809 1.00 0.00 N ATOM 1456 CA LYS B 205 2.737 -4.611 -7.115 1.00 0.00 C ATOM 1457 C LYS B 205 3.309 -5.816 -6.378 1.00 0.00 C ATOM 1458 O LYS B 205 2.916 -6.125 -5.251 1.00 0.00 O ATOM 1459 CB LYS B 205 2.501 -3.445 -6.154 1.00 0.00 C ATOM 1460 CG LYS B 205 3.759 -2.990 -5.427 1.00 0.00 C ATOM 1461 CD LYS B 205 4.865 -2.619 -6.403 1.00 0.00 C ATOM 1462 CE LYS B 205 6.120 -2.152 -5.684 1.00 0.00 C ATOM 1463 NZ LYS B 205 7.223 -1.853 -6.634 1.00 0.00 N ATOM 0 H LYS B 205 0.919 -5.635 -7.313 1.00 0.00 H new ATOM 0 HA LYS B 205 3.466 -4.289 -7.858 1.00 0.00 H new ATOM 0 HB2 LYS B 205 2.089 -2.604 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS B 205 1.752 -3.737 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS B 205 3.526 -2.132 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS B 205 4.106 -3.785 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS B 205 5.103 -3.480 -7.027 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.513 -1.831 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS B 205 5.893 -1.261 -5.099 1.00 0.00 H new ATOM 0 HE3 LYS B 205 6.444 -2.920 -4.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 7.829 -1.106 -6.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 7.789 -2.712 -6.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 6.824 -1.531 -7.539 1.00 0.00 H new ATOM 1477 N LYS B 206 4.239 -6.494 -7.035 1.00 0.00 N ATOM 1478 CA LYS B 206 4.885 -7.667 -6.468 1.00 0.00 C ATOM 1479 C LYS B 206 5.960 -7.253 -5.470 1.00 0.00 C ATOM 1480 O LYS B 206 7.063 -6.848 -5.850 1.00 0.00 O ATOM 1481 CB LYS B 206 5.490 -8.519 -7.584 1.00 0.00 C ATOM 1482 CG LYS B 206 6.078 -9.838 -7.106 1.00 0.00 C ATOM 1483 CD LYS B 206 6.547 -10.705 -8.267 1.00 0.00 C ATOM 1484 CE LYS B 206 5.403 -11.465 -8.937 1.00 0.00 C ATOM 1485 NZ LYS B 206 4.441 -10.573 -9.646 1.00 0.00 N ATOM 0 H LYS B 206 4.565 -6.248 -7.970 1.00 0.00 H new ATOM 0 HA LYS B 206 4.138 -8.259 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS B 206 4.720 -8.725 -8.328 1.00 0.00 H new ATOM 0 HB3 LYS B 206 6.271 -7.945 -8.083 1.00 0.00 H new ATOM 0 HG2 LYS B 206 6.917 -9.641 -6.438 1.00 0.00 H new ATOM 0 HG3 LYS B 206 5.330 -10.380 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS B 206 7.042 -10.077 -9.007 1.00 0.00 H new ATOM 0 HD3 LYS B 206 7.289 -11.418 -7.906 1.00 0.00 H new ATOM 0 HE2 LYS B 206 5.817 -12.180 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS B 206 4.867 -12.040 -8.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 206 4.014 -11.087 -10.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 206 3.694 -10.274 -8.987 1.00 0.00 H new ATOM 0 HZ3 LYS B 206 4.943 -9.735 -10.004 1.00 0.00 H new ATOM 1499 N ILE B 207 5.628 -7.353 -4.196 1.00 0.00 N ATOM 1500 CA ILE B 207 6.532 -6.970 -3.129 1.00 0.00 C ATOM 1501 C ILE B 207 7.400 -8.155 -2.724 1.00 0.00 C ATOM 1502 O ILE B 207 7.123 -8.851 -1.746 1.00 0.00 O ATOM 1503 CB ILE B 207 5.745 -6.455 -1.909 1.00 0.00 C ATOM 1504 CG1 ILE B 207 4.836 -5.292 -2.319 1.00 0.00 C ATOM 1505 CG2 ILE B 207 6.688 -6.039 -0.788 1.00 0.00 C ATOM 1506 CD1 ILE B 207 5.550 -3.967 -2.492 1.00 0.00 C ATOM 0 H ILE B 207 4.725 -7.701 -3.873 1.00 0.00 H new ATOM 0 HA ILE B 207 7.173 -6.167 -3.494 1.00 0.00 H new ATOM 0 HB ILE B 207 5.121 -7.266 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE B 207 4.340 -5.548 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE B 207 4.056 -5.174 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE B 207 6.107 -5.679 0.061 1.00 0.00 H new ATOM 0 HG22 ILE B 207 7.288 -6.895 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE B 207 7.345 -5.244 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE B 207 4.831 -3.201 -2.782 1.00 0.00 H new ATOM 0 HD12 ILE B 207 6.023 -3.683 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE B 207 6.311 -4.062 -3.267 1.00 0.00 H new ATOM 1518 N LYS B 208 8.430 -8.392 -3.507 1.00 0.00 N ATOM 1519 CA LYS B 208 9.380 -9.446 -3.224 1.00 0.00 C ATOM 1520 C LYS B 208 10.779 -8.922 -3.507 1.00 0.00 C ATOM 1521 O LYS B 208 11.327 -9.133 -4.593 1.00 0.00 O ATOM 1522 CB LYS B 208 9.062 -10.681 -4.074 1.00 0.00 C ATOM 1523 CG LYS B 208 9.853 -11.920 -3.691 1.00 0.00 C ATOM 1524 CD LYS B 208 9.378 -13.137 -4.471 1.00 0.00 C ATOM 1525 CE LYS B 208 10.089 -14.405 -4.026 1.00 0.00 C ATOM 1526 NZ LYS B 208 11.555 -14.334 -4.250 1.00 0.00 N ATOM 0 H LYS B 208 8.632 -7.862 -4.355 1.00 0.00 H new ATOM 0 HA LYS B 208 9.317 -9.745 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS B 208 7.998 -10.902 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.257 -10.448 -5.121 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.913 -11.752 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.748 -12.106 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.303 -13.257 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.552 -12.977 -5.535 1.00 0.00 H new ATOM 0 HE2 LYS B 208 9.893 -14.577 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS B 208 9.681 -15.258 -4.569 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 11.981 -15.264 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 11.743 -14.062 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 11.970 -13.627 -3.611 1.00 0.00 H new ATOM 1540 N LYS B 209 11.326 -8.206 -2.524 1.00 0.00 N ATOM 1541 CA LYS B 209 12.606 -7.513 -2.666 1.00 0.00 C ATOM 1542 C LYS B 209 12.491 -6.392 -3.700 1.00 0.00 C ATOM 1543 O LYS B 209 11.382 -5.947 -4.014 1.00 0.00 O ATOM 1544 CB LYS B 209 13.725 -8.492 -3.046 1.00 0.00 C ATOM 1545 CG LYS B 209 13.990 -9.557 -1.994 1.00 0.00 C ATOM 1546 CD LYS B 209 14.431 -8.943 -0.675 1.00 0.00 C ATOM 1547 CE LYS B 209 14.773 -10.011 0.351 1.00 0.00 C ATOM 1548 NZ LYS B 209 13.591 -10.828 0.724 1.00 0.00 N ATOM 0 H LYS B 209 10.894 -8.090 -1.607 1.00 0.00 H new ATOM 0 HA LYS B 209 12.864 -7.072 -1.703 1.00 0.00 H new ATOM 0 HB2 LYS B 209 13.465 -8.979 -3.986 1.00 0.00 H new ATOM 0 HB3 LYS B 209 14.643 -7.931 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS B 209 13.087 -10.147 -1.837 1.00 0.00 H new ATOM 0 HG3 LYS B 209 14.759 -10.241 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS B 209 15.300 -8.306 -0.842 1.00 0.00 H new ATOM 0 HD3 LYS B 209 13.637 -8.305 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS B 209 15.551 -10.661 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS B 209 15.182 -9.537 1.244 1.00 0.00 H new ATOM 0 HZ1 LYS B 209 13.836 -11.450 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 209 12.810 -10.201 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 209 13.298 -11.406 -0.089 1.00 0.00 H new ATOM 1562 N GLU B 210 13.637 -5.923 -4.197 1.00 0.00 N ATOM 1563 CA GLU B 210 13.688 -4.847 -5.189 1.00 0.00 C ATOM 1564 C GLU B 210 13.189 -3.535 -4.590 1.00 0.00 C ATOM 1565 O GLU B 210 12.697 -2.659 -5.308 1.00 0.00 O ATOM 1566 CB GLU B 210 12.869 -5.199 -6.439 1.00 0.00 C ATOM 1567 CG GLU B 210 13.356 -6.439 -7.170 1.00 0.00 C ATOM 1568 CD GLU B 210 12.547 -6.726 -8.417 1.00 0.00 C ATOM 1569 OE1 GLU B 210 12.900 -6.205 -9.495 1.00 0.00 O ATOM 1570 OE2 GLU B 210 11.549 -7.475 -8.330 1.00 0.00 O ATOM 0 H GLU B 210 14.554 -6.277 -3.924 1.00 0.00 H new ATOM 0 HA GLU B 210 14.730 -4.726 -5.487 1.00 0.00 H new ATOM 0 HB2 GLU B 210 11.829 -5.346 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU B 210 12.892 -4.353 -7.126 1.00 0.00 H new ATOM 0 HG2 GLU B 210 14.404 -6.310 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU B 210 13.303 -7.297 -6.500 1.00 0.00 H new ATOM 1577 N GLN B 211 13.322 -3.403 -3.273 1.00 0.00 N ATOM 1578 CA GLN B 211 12.859 -2.212 -2.574 1.00 0.00 C ATOM 1579 C GLN B 211 13.531 -2.088 -1.211 1.00 0.00 C ATOM 1580 O GLN B 211 12.995 -2.561 -0.207 1.00 0.00 O ATOM 1581 CB GLN B 211 11.342 -2.259 -2.393 1.00 0.00 C ATOM 1582 CG GLN B 211 10.644 -0.980 -2.815 1.00 0.00 C ATOM 1583 CD GLN B 211 9.166 -0.990 -2.497 1.00 0.00 C ATOM 1584 OE1 GLN B 211 8.351 -1.471 -3.285 1.00 0.00 O ATOM 1585 NE2 GLN B 211 8.807 -0.435 -1.351 1.00 0.00 N ATOM 0 H GLN B 211 13.747 -4.107 -2.670 1.00 0.00 H new ATOM 0 HA GLN B 211 13.124 -1.343 -3.177 1.00 0.00 H new ATOM 0 HB2 GLN B 211 10.940 -3.091 -2.971 1.00 0.00 H new ATOM 0 HB3 GLN B 211 11.115 -2.460 -1.346 1.00 0.00 H new ATOM 0 HG2 GLN B 211 11.113 -0.133 -2.315 1.00 0.00 H new ATOM 0 HG3 GLN B 211 10.780 -0.833 -3.886 1.00 0.00 H new ATOM 0 HE21 GLN B 211 9.516 -0.048 -0.727 1.00 0.00 H new ATOM 0 HE22 GLN B 211 7.822 -0.394 -1.091 1.00 0.00 H new ATOM 1594 N VAL B 212 14.703 -1.457 -1.193 1.00 0.00 N ATOM 1595 CA VAL B 212 15.459 -1.233 0.042 1.00 0.00 C ATOM 1596 C VAL B 212 15.689 -2.551 0.783 1.00 0.00 C ATOM 1597 O VAL B 212 14.981 -2.883 1.737 1.00 0.00 O ATOM 1598 CB VAL B 212 14.752 -0.220 0.974 1.00 0.00 C ATOM 1599 CG1 VAL B 212 15.611 0.096 2.191 1.00 0.00 C ATOM 1600 CG2 VAL B 212 14.414 1.057 0.217 1.00 0.00 C ATOM 0 H VAL B 212 15.156 -1.087 -2.029 1.00 0.00 H new ATOM 0 HA VAL B 212 16.423 -0.811 -0.244 1.00 0.00 H new ATOM 0 HB VAL B 212 13.825 -0.675 1.323 1.00 0.00 H new ATOM 0 HG11 VAL B 212 15.090 0.810 2.829 1.00 0.00 H new ATOM 0 HG12 VAL B 212 15.800 -0.820 2.751 1.00 0.00 H new ATOM 0 HG13 VAL B 212 16.559 0.524 1.866 1.00 0.00 H new ATOM 0 HG21 VAL B 212 13.917 1.757 0.888 1.00 0.00 H new ATOM 0 HG22 VAL B 212 15.330 1.507 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL B 212 13.752 0.822 -0.616 1.00 0.00 H new ATOM 1610 N GLU B 213 16.675 -3.303 0.326 1.00 0.00 N ATOM 1611 CA GLU B 213 16.961 -4.612 0.882 1.00 0.00 C ATOM 1612 C GLU B 213 18.384 -4.666 1.426 1.00 0.00 C ATOM 1613 O GLU B 213 19.336 -4.675 0.625 1.00 0.00 O ATOM 1614 CB GLU B 213 16.731 -5.694 -0.180 1.00 0.00 C ATOM 1615 CG GLU B 213 17.419 -5.409 -1.505 1.00 0.00 C ATOM 1616 CD GLU B 213 17.059 -6.413 -2.577 1.00 0.00 C ATOM 1617 OE1 GLU B 213 17.619 -7.529 -2.564 1.00 0.00 O ATOM 1618 OE2 GLU B 213 16.217 -6.087 -3.438 1.00 0.00 O ATOM 1619 OXT GLU B 213 18.548 -4.685 2.660 1.00 0.00 O ATOM 0 H GLU B 213 17.295 -3.026 -0.435 1.00 0.00 H new ATOM 0 HA GLU B 213 16.282 -4.799 1.714 1.00 0.00 H new ATOM 0 HB2 GLU B 213 17.087 -6.650 0.205 1.00 0.00 H new ATOM 0 HB3 GLU B 213 15.660 -5.799 -0.353 1.00 0.00 H new ATOM 0 HG2 GLU B 213 17.147 -4.409 -1.843 1.00 0.00 H new ATOM 0 HG3 GLU B 213 18.499 -5.413 -1.357 1.00 0.00 H new TER 1626 GLU B 213