USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 989 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 76 SER OG : rot 180:sc= 0.77 USER MOD Set 1.2: A 78 ASN : amide:sc= -1.4! C(o=-0.63!,f=-2.9!) USER MOD Set 2.1: A 67 ASN : amide:sc= -0.151 K(o=-1.4,f=-2.8!) USER MOD Set 2.2: A 71 CYS SG : rot 180:sc= -1.24 USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= -0.0678 USER MOD Set 3.2: A 115 GLN : amide:sc= -7.86! C(o=-7.9!,f=-8.1!) USER MOD Set 4.1: A 5 SER OG : rot -126:sc= -0.517 USER MOD Set 4.2: A 8 MET CE :methyl -168:sc= -2.47 (180deg=0) USER MOD Set 4.3: A 40 THR OG1 : rot -53:sc= -2.16 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0988 (180deg=0) USER MOD Single : A 2 SER OG : rot 151:sc= 0.0711 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 160:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -4.26! K(o=-4.3!,f=-2.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0347 X(o=-0.035,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 160:sc= 0.594 USER MOD Single : A 81 GLN : amide:sc= -0.177 K(o=-0.18,f=-2.2!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0.428 K(o=0.43,f=-4.7!) USER MOD Single : A 87 CYS SG : rot -55:sc= -0.39! USER MOD Single : A 89 THR OG1 : rot 63:sc= 1.26 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0277 K(o=-0.028,f=-1.4) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 148:sc= -0.757 (180deg=-1.78) USER MOD Single : A 108 HIS : no HE2:sc= -0.937 K(o=-0.94,f=-4.5!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 ASN : amide:sc= -0.0602 X(o=-0.06,f=-0.0083) USER MOD Single : A 120 HIS : no HD1:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 123 SER OG : rot -59:sc= 0.119 USER MOD Single : A 124 GLN : amide:sc= -0.0157 K(o=-0.016,f=-0.65) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.698 9.720 9.438 1.00 0.00 N ATOM 2 CA GLY A 1 -16.830 10.409 8.502 1.00 0.00 C ATOM 3 C GLY A 1 -16.548 11.839 8.918 1.00 0.00 C ATOM 4 O GLY A 1 -16.948 12.269 10.000 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.230 8.853 9.772 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.896 10.340 10.249 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.591 9.472 8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.889 9.866 8.417 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.290 10.405 7.514 1.00 0.00 H new ATOM 8 N SER A 2 -15.855 12.579 8.058 1.00 0.00 N ATOM 9 CA SER A 2 -15.515 13.968 8.344 1.00 0.00 C ATOM 10 C SER A 2 -15.273 14.745 7.054 1.00 0.00 C ATOM 11 O SER A 2 -15.157 14.160 5.977 1.00 0.00 O ATOM 12 CB SER A 2 -14.273 14.037 9.235 1.00 0.00 C ATOM 13 OG SER A 2 -13.187 13.339 8.652 1.00 0.00 O ATOM 0 H SER A 2 -15.518 12.240 7.157 1.00 0.00 H new ATOM 0 HA SER A 2 -16.356 14.422 8.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.995 15.079 9.397 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.499 13.612 10.213 1.00 0.00 H new ATOM 0 HG SER A 2 -12.344 13.748 8.939 1.00 0.00 H new ATOM 19 N SER A 3 -15.197 16.067 7.172 1.00 0.00 N ATOM 20 CA SER A 3 -14.973 16.926 6.015 1.00 0.00 C ATOM 21 C SER A 3 -14.350 18.253 6.437 1.00 0.00 C ATOM 22 O SER A 3 -14.215 18.538 7.626 1.00 0.00 O ATOM 23 CB SER A 3 -16.289 17.179 5.278 1.00 0.00 C ATOM 24 OG SER A 3 -17.241 17.793 6.130 1.00 0.00 O ATOM 0 H SER A 3 -15.287 16.566 8.057 1.00 0.00 H new ATOM 0 HA SER A 3 -14.282 16.417 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.108 17.815 4.412 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.687 16.236 4.903 1.00 0.00 H new ATOM 0 HG SER A 3 -18.073 17.946 5.635 1.00 0.00 H new ATOM 30 N GLY A 4 -13.971 19.062 5.452 1.00 0.00 N ATOM 31 CA GLY A 4 -13.366 20.349 5.740 1.00 0.00 C ATOM 32 C GLY A 4 -12.014 20.217 6.412 1.00 0.00 C ATOM 33 O GLY A 4 -11.931 19.896 7.597 1.00 0.00 O ATOM 0 H GLY A 4 -14.072 18.849 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.254 20.910 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.033 20.925 6.382 1.00 0.00 H new ATOM 37 N SER A 5 -10.951 20.464 5.652 1.00 0.00 N ATOM 38 CA SER A 5 -9.595 20.366 6.180 1.00 0.00 C ATOM 39 C SER A 5 -8.680 21.394 5.522 1.00 0.00 C ATOM 40 O SER A 5 -8.863 21.748 4.357 1.00 0.00 O ATOM 41 CB SER A 5 -9.040 18.957 5.960 1.00 0.00 C ATOM 42 OG SER A 5 -8.683 18.757 4.603 1.00 0.00 O ATOM 0 H SER A 5 -11.003 20.733 4.670 1.00 0.00 H new ATOM 0 HA SER A 5 -9.632 20.571 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.168 18.803 6.596 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.785 18.219 6.256 1.00 0.00 H new ATOM 0 HG SER A 5 -9.130 17.955 4.262 1.00 0.00 H new ATOM 48 N SER A 6 -7.695 21.870 6.277 1.00 0.00 N ATOM 49 CA SER A 6 -6.753 22.860 5.769 1.00 0.00 C ATOM 50 C SER A 6 -6.233 22.460 4.392 1.00 0.00 C ATOM 51 O SER A 6 -6.509 21.364 3.907 1.00 0.00 O ATOM 52 CB SER A 6 -5.583 23.027 6.741 1.00 0.00 C ATOM 53 OG SER A 6 -5.892 23.967 7.755 1.00 0.00 O ATOM 0 H SER A 6 -7.529 21.586 7.242 1.00 0.00 H new ATOM 0 HA SER A 6 -7.278 23.811 5.677 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.342 22.065 7.194 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.697 23.353 6.196 1.00 0.00 H new ATOM 0 HG SER A 6 -5.129 24.054 8.364 1.00 0.00 H new ATOM 59 N GLY A 7 -5.478 23.358 3.768 1.00 0.00 N ATOM 60 CA GLY A 7 -4.930 23.081 2.452 1.00 0.00 C ATOM 61 C GLY A 7 -4.326 21.694 2.356 1.00 0.00 C ATOM 62 O GLY A 7 -3.375 21.374 3.069 1.00 0.00 O ATOM 0 H GLY A 7 -5.236 24.272 4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.717 23.184 1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.168 23.823 2.216 1.00 0.00 H new ATOM 66 N MET A 8 -4.879 20.869 1.474 1.00 0.00 N ATOM 67 CA MET A 8 -4.388 19.509 1.288 1.00 0.00 C ATOM 68 C MET A 8 -3.408 19.439 0.121 1.00 0.00 C ATOM 69 O MET A 8 -3.504 20.214 -0.830 1.00 0.00 O ATOM 70 CB MET A 8 -5.556 18.551 1.045 1.00 0.00 C ATOM 71 CG MET A 8 -6.367 18.252 2.296 1.00 0.00 C ATOM 72 SD MET A 8 -5.347 17.652 3.657 1.00 0.00 S ATOM 73 CE MET A 8 -6.416 16.393 4.351 1.00 0.00 C ATOM 0 H MET A 8 -5.667 21.118 0.877 1.00 0.00 H new ATOM 0 HA MET A 8 -3.865 19.211 2.197 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.214 18.978 0.289 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.170 17.616 0.640 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.890 19.155 2.610 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.128 17.508 2.062 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.026 16.078 5.319 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.420 16.798 4.478 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.453 15.536 3.679 1.00 0.00 H new ATOM 83 N ALA A 9 -2.465 18.506 0.202 1.00 0.00 N ATOM 84 CA ALA A 9 -1.468 18.335 -0.848 1.00 0.00 C ATOM 85 C ALA A 9 -2.125 17.969 -2.175 1.00 0.00 C ATOM 86 O ALA A 9 -3.028 17.134 -2.221 1.00 0.00 O ATOM 87 CB ALA A 9 -0.457 17.271 -0.447 1.00 0.00 C ATOM 0 H ALA A 9 -2.370 17.857 0.983 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.948 19.284 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.282 17.154 -1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.043 17.573 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.971 16.323 -0.286 1.00 0.00 H new ATOM 93 N GLU A 10 -1.667 18.600 -3.251 1.00 0.00 N ATOM 94 CA GLU A 10 -2.212 18.341 -4.578 1.00 0.00 C ATOM 95 C GLU A 10 -2.536 16.860 -4.754 1.00 0.00 C ATOM 96 O GLU A 10 -3.649 16.482 -5.119 1.00 0.00 O ATOM 97 CB GLU A 10 -1.224 18.790 -5.657 1.00 0.00 C ATOM 98 CG GLU A 10 -0.216 19.817 -5.169 1.00 0.00 C ATOM 99 CD GLU A 10 0.648 20.363 -6.289 1.00 0.00 C ATOM 100 OE1 GLU A 10 0.335 20.092 -7.467 1.00 0.00 O ATOM 101 OE2 GLU A 10 1.638 21.062 -5.987 1.00 0.00 O ATOM 0 H GLU A 10 -0.920 19.294 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.135 18.912 -4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.689 17.918 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.780 19.209 -6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.745 20.640 -4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.422 19.363 -4.411 1.00 0.00 H new ATOM 108 N PRO A 11 -1.541 16.002 -4.488 1.00 0.00 N ATOM 109 CA PRO A 11 -1.695 14.549 -4.610 1.00 0.00 C ATOM 110 C PRO A 11 -2.610 13.971 -3.536 1.00 0.00 C ATOM 111 O PRO A 11 -3.548 13.232 -3.837 1.00 0.00 O ATOM 112 CB PRO A 11 -0.267 14.025 -4.434 1.00 0.00 C ATOM 113 CG PRO A 11 0.426 15.074 -3.634 1.00 0.00 C ATOM 114 CD PRO A 11 -0.188 16.383 -4.049 1.00 0.00 C ATOM 0 HA PRO A 11 -2.154 14.266 -5.557 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.259 13.064 -3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.221 13.875 -5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.293 14.902 -2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.499 15.067 -3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.219 17.092 -3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.377 16.855 -4.853 1.00 0.00 H new ATOM 122 N VAL A 12 -2.333 14.313 -2.282 1.00 0.00 N ATOM 123 CA VAL A 12 -3.133 13.830 -1.163 1.00 0.00 C ATOM 124 C VAL A 12 -4.623 13.914 -1.476 1.00 0.00 C ATOM 125 O VAL A 12 -5.433 13.209 -0.875 1.00 0.00 O ATOM 126 CB VAL A 12 -2.844 14.630 0.121 1.00 0.00 C ATOM 127 CG1 VAL A 12 -3.980 14.467 1.119 1.00 0.00 C ATOM 128 CG2 VAL A 12 -1.520 14.195 0.732 1.00 0.00 C ATOM 0 H VAL A 12 -1.560 14.923 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.856 12.788 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.769 15.686 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.758 15.039 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.908 14.831 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.090 13.414 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.331 14.770 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.564 13.134 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.715 14.369 0.018 1.00 0.00 H new ATOM 138 N GLN A 13 -4.976 14.780 -2.420 1.00 0.00 N ATOM 139 CA GLN A 13 -6.369 14.956 -2.812 1.00 0.00 C ATOM 140 C GLN A 13 -6.753 13.972 -3.913 1.00 0.00 C ATOM 141 O GLN A 13 -7.707 13.209 -3.770 1.00 0.00 O ATOM 142 CB GLN A 13 -6.610 16.390 -3.287 1.00 0.00 C ATOM 143 CG GLN A 13 -7.842 16.541 -4.165 1.00 0.00 C ATOM 144 CD GLN A 13 -8.422 17.941 -4.120 1.00 0.00 C ATOM 145 OE1 GLN A 13 -8.915 18.388 -3.084 1.00 0.00 O ATOM 146 NE2 GLN A 13 -8.367 18.642 -5.246 1.00 0.00 N ATOM 0 H GLN A 13 -4.317 15.370 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.993 14.760 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.712 17.040 -2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.736 16.732 -3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.583 16.292 -5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.601 15.827 -3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.949 18.233 -6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.742 19.590 -5.275 1.00 0.00 H new ATOM 155 N GLU A 14 -6.003 13.997 -5.010 1.00 0.00 N ATOM 156 CA GLU A 14 -6.266 13.108 -6.135 1.00 0.00 C ATOM 157 C GLU A 14 -6.222 11.647 -5.696 1.00 0.00 C ATOM 158 O GLU A 14 -6.938 10.804 -6.235 1.00 0.00 O ATOM 159 CB GLU A 14 -5.248 13.347 -7.252 1.00 0.00 C ATOM 160 CG GLU A 14 -3.988 12.509 -7.117 1.00 0.00 C ATOM 161 CD GLU A 14 -2.988 12.777 -8.225 1.00 0.00 C ATOM 162 OE1 GLU A 14 -3.293 12.452 -9.392 1.00 0.00 O ATOM 163 OE2 GLU A 14 -1.900 13.312 -7.925 1.00 0.00 O ATOM 0 H GLU A 14 -5.209 14.623 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.265 13.327 -6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.717 13.131 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.973 14.402 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.521 12.714 -6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.256 11.453 -7.122 1.00 0.00 H new ATOM 170 N GLU A 15 -5.375 11.356 -4.713 1.00 0.00 N ATOM 171 CA GLU A 15 -5.236 9.997 -4.203 1.00 0.00 C ATOM 172 C GLU A 15 -6.539 9.518 -3.570 1.00 0.00 C ATOM 173 O GLU A 15 -7.003 8.409 -3.841 1.00 0.00 O ATOM 174 CB GLU A 15 -4.102 9.927 -3.177 1.00 0.00 C ATOM 175 CG GLU A 15 -2.751 9.591 -3.785 1.00 0.00 C ATOM 176 CD GLU A 15 -2.601 10.115 -5.200 1.00 0.00 C ATOM 177 OE1 GLU A 15 -2.974 9.387 -6.144 1.00 0.00 O ATOM 178 OE2 GLU A 15 -2.112 11.252 -5.364 1.00 0.00 O ATOM 0 H GLU A 15 -4.776 12.042 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.998 9.344 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.031 10.884 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.349 9.177 -2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.962 10.010 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.616 8.509 -3.786 1.00 0.00 H new ATOM 185 N LEU A 16 -7.125 10.360 -2.726 1.00 0.00 N ATOM 186 CA LEU A 16 -8.375 10.023 -2.054 1.00 0.00 C ATOM 187 C LEU A 16 -9.473 9.717 -3.067 1.00 0.00 C ATOM 188 O LEU A 16 -10.236 8.765 -2.903 1.00 0.00 O ATOM 189 CB LEU A 16 -8.812 11.171 -1.142 1.00 0.00 C ATOM 190 CG LEU A 16 -7.985 11.372 0.128 1.00 0.00 C ATOM 191 CD1 LEU A 16 -8.297 12.719 0.761 1.00 0.00 C ATOM 192 CD2 LEU A 16 -8.242 10.243 1.116 1.00 0.00 C ATOM 0 H LEU A 16 -6.755 11.281 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.205 9.132 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.786 12.096 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.850 11.004 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.929 11.357 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.699 12.844 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.061 13.516 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.355 12.764 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.645 10.402 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.299 10.225 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.966 9.292 0.661 1.00 0.00 H new ATOM 204 N SER A 17 -9.546 10.530 -4.117 1.00 0.00 N ATOM 205 CA SER A 17 -10.552 10.347 -5.156 1.00 0.00 C ATOM 206 C SER A 17 -10.194 9.168 -6.057 1.00 0.00 C ATOM 207 O SER A 17 -10.918 8.175 -6.116 1.00 0.00 O ATOM 208 CB SER A 17 -10.688 11.620 -5.993 1.00 0.00 C ATOM 209 OG SER A 17 -9.443 11.998 -6.553 1.00 0.00 O ATOM 0 H SER A 17 -8.921 11.321 -4.270 1.00 0.00 H new ATOM 0 HA SER A 17 -11.505 10.136 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.415 11.459 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.071 12.429 -5.371 1.00 0.00 H new ATOM 0 HG SER A 17 -9.557 12.813 -7.084 1.00 0.00 H new ATOM 215 N VAL A 18 -9.071 9.287 -6.758 1.00 0.00 N ATOM 216 CA VAL A 18 -8.615 8.233 -7.656 1.00 0.00 C ATOM 217 C VAL A 18 -8.741 6.862 -7.001 1.00 0.00 C ATOM 218 O VAL A 18 -9.379 5.959 -7.544 1.00 0.00 O ATOM 219 CB VAL A 18 -7.151 8.453 -8.083 1.00 0.00 C ATOM 220 CG1 VAL A 18 -6.632 7.249 -8.853 1.00 0.00 C ATOM 221 CG2 VAL A 18 -7.024 9.722 -8.912 1.00 0.00 C ATOM 0 H VAL A 18 -8.460 10.103 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.253 8.271 -8.539 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.543 8.569 -7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.597 7.423 -9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.686 6.362 -8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.241 7.097 -9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.984 9.862 -9.205 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.644 9.637 -9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.353 10.577 -8.321 1.00 0.00 H new ATOM 231 N LEU A 19 -8.129 6.712 -5.832 1.00 0.00 N ATOM 232 CA LEU A 19 -8.172 5.450 -5.102 1.00 0.00 C ATOM 233 C LEU A 19 -9.605 4.940 -4.980 1.00 0.00 C ATOM 234 O LEU A 19 -9.848 3.734 -4.989 1.00 0.00 O ATOM 235 CB LEU A 19 -7.560 5.621 -3.710 1.00 0.00 C ATOM 236 CG LEU A 19 -6.036 5.734 -3.657 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.585 6.220 -2.288 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.391 4.397 -3.990 1.00 0.00 C ATOM 0 H LEU A 19 -7.597 7.449 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.590 4.716 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.987 6.515 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.863 4.774 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.718 6.464 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.498 6.295 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.020 7.199 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.914 5.515 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.306 4.496 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.716 3.647 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.688 4.089 -4.992 1.00 0.00 H new ATOM 250 N ALA A 20 -10.550 5.868 -4.869 1.00 0.00 N ATOM 251 CA ALA A 20 -11.959 5.513 -4.751 1.00 0.00 C ATOM 252 C ALA A 20 -12.456 4.810 -6.009 1.00 0.00 C ATOM 253 O ALA A 20 -13.367 3.985 -5.952 1.00 0.00 O ATOM 254 CB ALA A 20 -12.794 6.754 -4.473 1.00 0.00 C ATOM 0 H ALA A 20 -10.365 6.871 -4.858 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.065 4.822 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.844 6.474 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.464 7.214 -3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.673 7.464 -5.291 1.00 0.00 H new ATOM 260 N ALA A 21 -11.851 5.143 -7.145 1.00 0.00 N ATOM 261 CA ALA A 21 -12.232 4.542 -8.418 1.00 0.00 C ATOM 262 C ALA A 21 -11.863 3.063 -8.459 1.00 0.00 C ATOM 263 O ALA A 21 -12.662 2.226 -8.879 1.00 0.00 O ATOM 264 CB ALA A 21 -11.572 5.285 -9.570 1.00 0.00 C ATOM 0 H ALA A 21 -11.096 5.825 -7.210 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.314 4.622 -8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.865 4.826 -10.514 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.889 6.328 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.489 5.234 -9.463 1.00 0.00 H new ATOM 270 N ILE A 22 -10.648 2.749 -8.021 1.00 0.00 N ATOM 271 CA ILE A 22 -10.174 1.371 -8.008 1.00 0.00 C ATOM 272 C ILE A 22 -10.893 0.552 -6.941 1.00 0.00 C ATOM 273 O ILE A 22 -11.264 -0.599 -7.171 1.00 0.00 O ATOM 274 CB ILE A 22 -8.656 1.299 -7.757 1.00 0.00 C ATOM 275 CG1 ILE A 22 -7.903 2.095 -8.825 1.00 0.00 C ATOM 276 CG2 ILE A 22 -8.190 -0.149 -7.739 1.00 0.00 C ATOM 277 CD1 ILE A 22 -6.483 2.438 -8.433 1.00 0.00 C ATOM 0 H ILE A 22 -9.975 3.430 -7.671 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.392 0.954 -8.991 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.442 1.740 -6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.887 1.520 -9.751 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.447 3.017 -9.031 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.115 -0.183 -7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.707 -0.688 -6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.413 -0.615 -8.699 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.010 3.002 -9.237 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.492 3.039 -7.524 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.923 1.520 -8.255 1.00 0.00 H new ATOM 289 N PHE A 23 -11.090 1.155 -5.773 1.00 0.00 N ATOM 290 CA PHE A 23 -11.766 0.483 -4.669 1.00 0.00 C ATOM 291 C PHE A 23 -13.262 0.779 -4.687 1.00 0.00 C ATOM 292 O PHE A 23 -14.011 0.299 -3.835 1.00 0.00 O ATOM 293 CB PHE A 23 -11.164 0.920 -3.332 1.00 0.00 C ATOM 294 CG PHE A 23 -9.663 0.861 -3.302 1.00 0.00 C ATOM 295 CD1 PHE A 23 -8.999 -0.329 -3.550 1.00 0.00 C ATOM 296 CD2 PHE A 23 -8.917 1.995 -3.026 1.00 0.00 C ATOM 297 CE1 PHE A 23 -7.618 -0.387 -3.524 1.00 0.00 C ATOM 298 CE2 PHE A 23 -7.537 1.944 -2.999 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.886 0.751 -3.247 1.00 0.00 C ATOM 0 H PHE A 23 -10.791 2.108 -5.567 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.624 -0.591 -4.789 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.484 1.939 -3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.560 0.285 -2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -9.567 -1.222 -3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.420 2.930 -2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.112 -1.321 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.967 2.836 -2.784 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.807 0.708 -3.224 1.00 0.00 H new ATOM 309 N CYS A 24 -13.691 1.573 -5.662 1.00 0.00 N ATOM 310 CA CYS A 24 -15.098 1.935 -5.791 1.00 0.00 C ATOM 311 C CYS A 24 -15.998 0.776 -5.376 1.00 0.00 C ATOM 312 O CYS A 24 -17.089 0.984 -4.846 1.00 0.00 O ATOM 313 CB CYS A 24 -15.409 2.349 -7.230 1.00 0.00 C ATOM 314 SG CYS A 24 -16.919 3.329 -7.406 1.00 0.00 S ATOM 0 H CYS A 24 -13.084 1.978 -6.375 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.294 2.778 -5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -14.569 2.922 -7.621 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.497 1.453 -7.844 1.00 0.00 H new ATOM 0 HG CYS A 24 -17.096 3.632 -8.658 1.00 0.00 H new ATOM 320 N ARG A 25 -15.533 -0.444 -5.622 1.00 0.00 N ATOM 321 CA ARG A 25 -16.297 -1.637 -5.276 1.00 0.00 C ATOM 322 C ARG A 25 -17.050 -1.439 -3.964 1.00 0.00 C ATOM 323 O ARG A 25 -16.621 -0.698 -3.079 1.00 0.00 O ATOM 324 CB ARG A 25 -15.370 -2.849 -5.167 1.00 0.00 C ATOM 325 CG ARG A 25 -14.616 -3.157 -6.450 1.00 0.00 C ATOM 326 CD ARG A 25 -15.421 -4.068 -7.364 1.00 0.00 C ATOM 327 NE ARG A 25 -15.678 -5.369 -6.751 1.00 0.00 N ATOM 328 CZ ARG A 25 -16.206 -6.398 -7.404 1.00 0.00 C ATOM 329 NH1 ARG A 25 -16.530 -6.278 -8.685 1.00 0.00 N ATOM 330 NH2 ARG A 25 -16.410 -7.549 -6.778 1.00 0.00 N ATOM 0 H ARG A 25 -14.631 -0.633 -6.059 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.024 -1.815 -6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -14.651 -2.675 -4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.959 -3.721 -4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -14.387 -2.227 -6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -13.664 -3.630 -6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.369 -3.589 -7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -14.883 -4.209 -8.301 1.00 0.00 H new ATOM 0 HE ARG A 25 -15.439 -5.494 -5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -16.374 -5.394 -9.170 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.935 -7.069 -9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.161 -7.645 -5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.816 -8.338 -7.281 1.00 0.00 H new ATOM 344 N PRO A 26 -18.201 -2.115 -3.834 1.00 0.00 N ATOM 345 CA PRO A 26 -19.038 -2.030 -2.633 1.00 0.00 C ATOM 346 C PRO A 26 -18.392 -2.703 -1.427 1.00 0.00 C ATOM 347 O PRO A 26 -17.946 -3.848 -1.507 1.00 0.00 O ATOM 348 CB PRO A 26 -20.315 -2.770 -3.038 1.00 0.00 C ATOM 349 CG PRO A 26 -19.884 -3.711 -4.110 1.00 0.00 C ATOM 350 CD PRO A 26 -18.773 -3.017 -4.848 1.00 0.00 C ATOM 0 HA PRO A 26 -19.206 -0.998 -2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -20.748 -3.305 -2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -21.075 -2.078 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -19.541 -4.655 -3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -20.711 -3.945 -4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -18.033 -3.726 -5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -19.147 -2.466 -5.711 1.00 0.00 H new ATOM 358 N HIS A 27 -18.344 -1.984 -0.309 1.00 0.00 N ATOM 359 CA HIS A 27 -17.753 -2.513 0.915 1.00 0.00 C ATOM 360 C HIS A 27 -16.272 -2.821 0.714 1.00 0.00 C ATOM 361 O HIS A 27 -15.781 -3.862 1.149 1.00 0.00 O ATOM 362 CB HIS A 27 -18.492 -3.775 1.360 1.00 0.00 C ATOM 363 CG HIS A 27 -19.845 -3.503 1.943 1.00 0.00 C ATOM 364 ND1 HIS A 27 -20.054 -3.282 3.288 1.00 0.00 N ATOM 365 CD2 HIS A 27 -21.061 -3.414 1.355 1.00 0.00 C ATOM 366 CE1 HIS A 27 -21.340 -3.071 3.502 1.00 0.00 C ATOM 367 NE2 HIS A 27 -21.973 -3.145 2.346 1.00 0.00 N ATOM 0 H HIS A 27 -18.707 -1.034 -0.226 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.847 -1.754 1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -18.601 -4.443 0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.886 -4.300 2.099 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -21.274 -3.532 0.303 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -21.796 -2.872 4.460 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.977 -3.022 2.211 1.00 0.00 H new ATOM 376 N GLU A 28 -15.567 -1.909 0.052 1.00 0.00 N ATOM 377 CA GLU A 28 -14.143 -2.085 -0.207 1.00 0.00 C ATOM 378 C GLU A 28 -13.365 -0.821 0.145 1.00 0.00 C ATOM 379 O GLU A 28 -12.214 -0.888 0.577 1.00 0.00 O ATOM 380 CB GLU A 28 -13.910 -2.447 -1.676 1.00 0.00 C ATOM 381 CG GLU A 28 -14.007 -3.937 -1.958 1.00 0.00 C ATOM 382 CD GLU A 28 -12.683 -4.652 -1.776 1.00 0.00 C ATOM 383 OE1 GLU A 28 -12.105 -4.559 -0.672 1.00 0.00 O ATOM 384 OE2 GLU A 28 -12.223 -5.306 -2.736 1.00 0.00 O ATOM 0 H GLU A 28 -15.959 -1.041 -0.314 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.784 -2.899 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.640 -1.921 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.924 -2.092 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.750 -4.381 -1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.360 -4.088 -2.978 1.00 0.00 H new ATOM 391 N TRP A 29 -14.001 0.330 -0.042 1.00 0.00 N ATOM 392 CA TRP A 29 -13.369 1.610 0.255 1.00 0.00 C ATOM 393 C TRP A 29 -13.889 2.181 1.570 1.00 0.00 C ATOM 394 O TRP A 29 -15.079 2.459 1.708 1.00 0.00 O ATOM 395 CB TRP A 29 -13.621 2.603 -0.881 1.00 0.00 C ATOM 396 CG TRP A 29 -13.366 4.028 -0.492 1.00 0.00 C ATOM 397 CD1 TRP A 29 -14.303 4.986 -0.229 1.00 0.00 C ATOM 398 CD2 TRP A 29 -12.090 4.655 -0.324 1.00 0.00 C ATOM 399 NE1 TRP A 29 -13.686 6.171 0.092 1.00 0.00 N ATOM 400 CE2 TRP A 29 -12.329 5.994 0.041 1.00 0.00 C ATOM 401 CE3 TRP A 29 -10.769 4.215 -0.446 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -11.295 6.894 0.285 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -9.744 5.110 -0.204 1.00 0.00 C ATOM 404 CH2 TRP A 29 -10.012 6.437 0.158 1.00 0.00 C ATOM 0 H TRP A 29 -14.954 0.403 -0.398 1.00 0.00 H new ATOM 0 HA TRP A 29 -12.296 1.444 0.351 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.984 2.345 -1.727 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.653 2.505 -1.217 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -15.372 4.835 -0.268 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -14.162 7.041 0.330 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.553 3.194 -0.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.499 7.917 0.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.719 4.781 -0.295 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -9.189 7.112 0.340 1.00 0.00 H new ATOM 415 N GLU A 30 -12.988 2.352 2.533 1.00 0.00 N ATOM 416 CA GLU A 30 -13.358 2.890 3.837 1.00 0.00 C ATOM 417 C GLU A 30 -12.307 3.877 4.337 1.00 0.00 C ATOM 418 O GLU A 30 -11.106 3.639 4.211 1.00 0.00 O ATOM 419 CB GLU A 30 -13.531 1.756 4.850 1.00 0.00 C ATOM 420 CG GLU A 30 -13.740 2.240 6.275 1.00 0.00 C ATOM 421 CD GLU A 30 -15.133 2.793 6.506 1.00 0.00 C ATOM 422 OE1 GLU A 30 -16.081 2.299 5.860 1.00 0.00 O ATOM 423 OE2 GLU A 30 -15.275 3.719 7.331 1.00 0.00 O ATOM 0 H GLU A 30 -11.998 2.126 2.435 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.305 3.419 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.383 1.143 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.650 1.114 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.562 1.415 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.005 3.011 6.504 1.00 0.00 H new ATOM 430 N VAL A 31 -12.768 4.987 4.904 1.00 0.00 N ATOM 431 CA VAL A 31 -11.870 6.011 5.423 1.00 0.00 C ATOM 432 C VAL A 31 -12.017 6.157 6.934 1.00 0.00 C ATOM 433 O VAL A 31 -12.912 6.852 7.417 1.00 0.00 O ATOM 434 CB VAL A 31 -12.130 7.375 4.759 1.00 0.00 C ATOM 435 CG1 VAL A 31 -11.214 8.439 5.346 1.00 0.00 C ATOM 436 CG2 VAL A 31 -11.947 7.277 3.252 1.00 0.00 C ATOM 0 H VAL A 31 -13.759 5.200 5.016 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.855 5.689 5.189 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.161 7.666 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.413 9.396 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.398 8.527 6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.175 8.157 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.135 8.250 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.927 6.963 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.648 6.547 2.847 1.00 0.00 H new ATOM 446 N LEU A 32 -11.134 5.497 7.675 1.00 0.00 N ATOM 447 CA LEU A 32 -11.165 5.554 9.133 1.00 0.00 C ATOM 448 C LEU A 32 -11.533 6.953 9.616 1.00 0.00 C ATOM 449 O LEU A 32 -12.605 7.164 10.182 1.00 0.00 O ATOM 450 CB LEU A 32 -9.808 5.144 9.708 1.00 0.00 C ATOM 451 CG LEU A 32 -9.245 3.811 9.212 1.00 0.00 C ATOM 452 CD1 LEU A 32 -7.914 3.512 9.884 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.237 2.686 9.465 1.00 0.00 C ATOM 0 H LEU A 32 -10.388 4.917 7.291 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.927 4.857 9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.087 5.928 9.479 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.895 5.098 10.794 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.078 3.886 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.528 2.560 9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.203 4.305 9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.056 3.457 10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.820 1.745 9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.436 2.610 10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.167 2.895 8.937 1.00 0.00 H new ATOM 465 N SER A 33 -10.636 7.908 9.386 1.00 0.00 N ATOM 466 CA SER A 33 -10.866 9.287 9.799 1.00 0.00 C ATOM 467 C SER A 33 -9.919 10.237 9.071 1.00 0.00 C ATOM 468 O SER A 33 -8.860 9.829 8.593 1.00 0.00 O ATOM 469 CB SER A 33 -10.682 9.426 11.311 1.00 0.00 C ATOM 470 OG SER A 33 -11.408 10.535 11.814 1.00 0.00 O ATOM 0 H SER A 33 -9.744 7.751 8.916 1.00 0.00 H new ATOM 0 HA SER A 33 -11.891 9.552 9.539 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.016 8.514 11.806 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.623 9.545 11.542 1.00 0.00 H new ATOM 0 HG SER A 33 -11.275 10.601 12.783 1.00 0.00 H new ATOM 476 N ARG A 34 -10.309 11.505 8.991 1.00 0.00 N ATOM 477 CA ARG A 34 -9.496 12.513 8.321 1.00 0.00 C ATOM 478 C ARG A 34 -9.317 13.743 9.205 1.00 0.00 C ATOM 479 O ARG A 34 -10.276 14.460 9.490 1.00 0.00 O ATOM 480 CB ARG A 34 -10.140 12.916 6.992 1.00 0.00 C ATOM 481 CG ARG A 34 -10.448 11.738 6.083 1.00 0.00 C ATOM 482 CD ARG A 34 -10.984 12.199 4.737 1.00 0.00 C ATOM 483 NE ARG A 34 -12.422 12.455 4.779 1.00 0.00 N ATOM 484 CZ ARG A 34 -13.171 12.619 3.694 1.00 0.00 C ATOM 485 NH1 ARG A 34 -12.622 12.554 2.489 1.00 0.00 N ATOM 486 NH2 ARG A 34 -14.472 12.848 3.814 1.00 0.00 N ATOM 0 H ARG A 34 -11.182 11.859 9.382 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.514 12.082 8.126 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.063 13.459 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.475 13.603 6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.545 11.147 5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.179 11.087 6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.463 13.106 4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.773 11.440 3.983 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.875 12.511 5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.622 12.378 2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.200 12.680 1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.898 12.898 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.047 12.974 2.981 1.00 0.00 H new ATOM 500 N SER A 35 -8.083 13.980 9.638 1.00 0.00 N ATOM 501 CA SER A 35 -7.779 15.121 10.494 1.00 0.00 C ATOM 502 C SER A 35 -7.179 16.265 9.681 1.00 0.00 C ATOM 503 O SER A 35 -6.670 16.058 8.581 1.00 0.00 O ATOM 504 CB SER A 35 -6.811 14.708 11.605 1.00 0.00 C ATOM 505 OG SER A 35 -7.512 14.215 12.734 1.00 0.00 O ATOM 0 H SER A 35 -7.277 13.397 9.410 1.00 0.00 H new ATOM 0 HA SER A 35 -8.711 15.466 10.943 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.130 13.942 11.233 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.201 15.563 11.896 1.00 0.00 H new ATOM 0 HG SER A 35 -6.908 13.673 13.283 1.00 0.00 H new ATOM 511 N GLU A 36 -7.245 17.472 10.234 1.00 0.00 N ATOM 512 CA GLU A 36 -6.710 18.650 9.561 1.00 0.00 C ATOM 513 C GLU A 36 -5.220 18.810 9.847 1.00 0.00 C ATOM 514 O GLU A 36 -4.427 19.079 8.944 1.00 0.00 O ATOM 515 CB GLU A 36 -7.464 19.905 10.004 1.00 0.00 C ATOM 516 CG GLU A 36 -8.966 19.820 9.791 1.00 0.00 C ATOM 517 CD GLU A 36 -9.658 18.976 10.843 1.00 0.00 C ATOM 518 OE1 GLU A 36 -9.847 19.474 11.973 1.00 0.00 O ATOM 519 OE2 GLU A 36 -10.011 17.818 10.537 1.00 0.00 O ATOM 0 H GLU A 36 -7.663 17.660 11.145 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.844 18.516 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.265 20.084 11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.076 20.764 9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.388 20.825 9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.166 19.401 8.805 1.00 0.00 H new ATOM 526 N THR A 37 -4.845 18.644 11.112 1.00 0.00 N ATOM 527 CA THR A 37 -3.451 18.772 11.519 1.00 0.00 C ATOM 528 C THR A 37 -2.780 17.407 11.617 1.00 0.00 C ATOM 529 O THR A 37 -1.694 17.199 11.075 1.00 0.00 O ATOM 530 CB THR A 37 -3.326 19.490 12.876 1.00 0.00 C ATOM 531 OG1 THR A 37 -1.946 19.645 13.223 1.00 0.00 O ATOM 532 CG2 THR A 37 -4.045 18.713 13.968 1.00 0.00 C ATOM 0 H THR A 37 -5.487 18.421 11.872 1.00 0.00 H new ATOM 0 HA THR A 37 -2.951 19.366 10.754 1.00 0.00 H new ATOM 0 HB THR A 37 -3.790 20.472 12.786 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.875 20.104 14.086 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.943 19.240 14.917 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.101 18.623 13.715 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.607 17.719 14.056 1.00 0.00 H new ATOM 540 N ASP A 38 -3.432 16.480 12.309 1.00 0.00 N ATOM 541 CA ASP A 38 -2.898 15.133 12.476 1.00 0.00 C ATOM 542 C ASP A 38 -2.613 14.490 11.122 1.00 0.00 C ATOM 543 O ASP A 38 -1.633 13.764 10.962 1.00 0.00 O ATOM 544 CB ASP A 38 -3.877 14.267 13.270 1.00 0.00 C ATOM 545 CG ASP A 38 -3.680 14.394 14.768 1.00 0.00 C ATOM 546 OD1 ASP A 38 -2.537 14.203 15.234 1.00 0.00 O ATOM 547 OD2 ASP A 38 -4.668 14.686 15.473 1.00 0.00 O ATOM 0 H ASP A 38 -4.332 16.636 12.764 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.961 15.206 13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.898 14.552 13.015 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.754 13.224 12.978 1.00 0.00 H new ATOM 552 N GLY A 39 -3.479 14.761 10.150 1.00 0.00 N ATOM 553 CA GLY A 39 -3.304 14.200 8.823 1.00 0.00 C ATOM 554 C GLY A 39 -4.502 13.386 8.375 1.00 0.00 C ATOM 555 O GLY A 39 -5.476 13.241 9.115 1.00 0.00 O ATOM 0 H GLY A 39 -4.298 15.359 10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.130 15.007 8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.415 13.569 8.813 1.00 0.00 H new ATOM 559 N THR A 40 -4.433 12.855 7.158 1.00 0.00 N ATOM 560 CA THR A 40 -5.521 12.055 6.611 1.00 0.00 C ATOM 561 C THR A 40 -5.251 10.565 6.789 1.00 0.00 C ATOM 562 O THR A 40 -4.176 10.073 6.445 1.00 0.00 O ATOM 563 CB THR A 40 -5.739 12.350 5.115 1.00 0.00 C ATOM 564 OG1 THR A 40 -5.947 13.753 4.918 1.00 0.00 O ATOM 565 CG2 THR A 40 -6.933 11.575 4.578 1.00 0.00 C ATOM 0 H THR A 40 -3.635 12.965 6.533 1.00 0.00 H new ATOM 0 HA THR A 40 -6.421 12.327 7.162 1.00 0.00 H new ATOM 0 HB THR A 40 -4.848 12.035 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.668 14.063 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.067 11.800 3.520 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.759 10.506 4.703 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.830 11.863 5.126 1.00 0.00 H new ATOM 573 N VAL A 41 -6.234 9.850 7.328 1.00 0.00 N ATOM 574 CA VAL A 41 -6.103 8.415 7.550 1.00 0.00 C ATOM 575 C VAL A 41 -7.266 7.654 6.924 1.00 0.00 C ATOM 576 O VAL A 41 -8.401 8.131 6.915 1.00 0.00 O ATOM 577 CB VAL A 41 -6.036 8.083 9.052 1.00 0.00 C ATOM 578 CG1 VAL A 41 -6.002 6.578 9.266 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.825 8.748 9.691 1.00 0.00 C ATOM 0 H VAL A 41 -7.130 10.242 7.619 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.172 8.105 7.075 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.933 8.474 9.533 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.955 6.363 10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.902 6.130 8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.124 6.160 8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.793 8.503 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.916 8.389 9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.898 9.829 9.570 1.00 0.00 H new ATOM 589 N PHE A 42 -6.976 6.467 6.402 1.00 0.00 N ATOM 590 CA PHE A 42 -7.998 5.638 5.773 1.00 0.00 C ATOM 591 C PHE A 42 -7.515 4.198 5.623 1.00 0.00 C ATOM 592 O PHE A 42 -6.328 3.950 5.407 1.00 0.00 O ATOM 593 CB PHE A 42 -8.374 6.207 4.403 1.00 0.00 C ATOM 594 CG PHE A 42 -7.237 6.205 3.421 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.975 5.087 2.646 1.00 0.00 C ATOM 596 CD2 PHE A 42 -6.431 7.322 3.273 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.929 5.083 1.742 1.00 0.00 C ATOM 598 CE2 PHE A 42 -5.384 7.324 2.370 1.00 0.00 C ATOM 599 CZ PHE A 42 -5.133 6.204 1.603 1.00 0.00 C ATOM 0 H PHE A 42 -6.042 6.057 6.402 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.879 5.642 6.415 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.200 5.627 3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.733 7.228 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.595 4.209 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.623 8.201 3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.734 4.204 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.763 8.201 2.265 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.317 6.204 0.896 1.00 0.00 H new ATOM 609 N ARG A 43 -8.443 3.254 5.740 1.00 0.00 N ATOM 610 CA ARG A 43 -8.112 1.839 5.620 1.00 0.00 C ATOM 611 C ARG A 43 -8.945 1.177 4.526 1.00 0.00 C ATOM 612 O ARG A 43 -10.173 1.145 4.602 1.00 0.00 O ATOM 613 CB ARG A 43 -8.342 1.125 6.953 1.00 0.00 C ATOM 614 CG ARG A 43 -8.124 -0.378 6.885 1.00 0.00 C ATOM 615 CD ARG A 43 -8.596 -1.068 8.155 1.00 0.00 C ATOM 616 NE ARG A 43 -7.698 -0.819 9.279 1.00 0.00 N ATOM 617 CZ ARG A 43 -7.850 -1.371 10.478 1.00 0.00 C ATOM 618 NH1 ARG A 43 -8.860 -2.199 10.707 1.00 0.00 N ATOM 619 NH2 ARG A 43 -6.990 -1.095 11.451 1.00 0.00 N ATOM 0 H ARG A 43 -9.429 3.443 5.918 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.059 1.759 5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.672 1.547 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.360 1.321 7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.659 -0.786 6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.066 -0.586 6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.597 -0.719 8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.668 -2.141 7.979 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.911 -0.187 9.136 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.523 -2.414 9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.974 -2.621 11.628 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.212 -0.459 11.278 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.108 -1.519 12.371 1.00 0.00 H new ATOM 633 N ILE A 44 -8.267 0.652 3.511 1.00 0.00 N ATOM 634 CA ILE A 44 -8.945 -0.010 2.402 1.00 0.00 C ATOM 635 C ILE A 44 -8.429 -1.432 2.213 1.00 0.00 C ATOM 636 O ILE A 44 -7.276 -1.733 2.524 1.00 0.00 O ATOM 637 CB ILE A 44 -8.763 0.770 1.087 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.277 0.902 0.747 1.00 0.00 C ATOM 639 CG2 ILE A 44 -9.413 2.142 1.190 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.699 -0.326 0.079 1.00 0.00 C ATOM 0 H ILE A 44 -7.250 0.672 3.433 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.005 -0.042 2.653 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.252 0.218 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.137 1.762 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.720 1.104 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.276 2.681 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.478 2.026 1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.951 2.703 2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.643 -0.162 -0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.807 -1.185 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.231 -0.517 -0.853 1.00 0.00 H new ATOM 652 N HIS A 45 -9.290 -2.304 1.699 1.00 0.00 N ATOM 653 CA HIS A 45 -8.921 -3.696 1.465 1.00 0.00 C ATOM 654 C HIS A 45 -8.673 -3.950 -0.018 1.00 0.00 C ATOM 655 O HIS A 45 -9.491 -3.593 -0.866 1.00 0.00 O ATOM 656 CB HIS A 45 -10.018 -4.630 1.978 1.00 0.00 C ATOM 657 CG HIS A 45 -9.528 -6.006 2.307 1.00 0.00 C ATOM 658 ND1 HIS A 45 -10.059 -7.148 1.746 1.00 0.00 N ATOM 659 CD2 HIS A 45 -8.548 -6.420 3.144 1.00 0.00 C ATOM 660 CE1 HIS A 45 -9.428 -8.206 2.225 1.00 0.00 C ATOM 661 NE2 HIS A 45 -8.506 -7.791 3.075 1.00 0.00 N ATOM 0 H HIS A 45 -10.248 -2.072 1.436 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.999 -3.898 2.009 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.470 -4.192 2.868 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.803 -4.703 1.225 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.917 -5.790 3.753 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.632 -9.234 1.966 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.867 -8.391 3.596 1.00 0.00 H new ATOM 670 N THR A 46 -7.537 -4.569 -0.326 1.00 0.00 N ATOM 671 CA THR A 46 -7.180 -4.870 -1.707 1.00 0.00 C ATOM 672 C THR A 46 -6.905 -6.358 -1.892 1.00 0.00 C ATOM 673 O THR A 46 -6.699 -7.087 -0.923 1.00 0.00 O ATOM 674 CB THR A 46 -5.941 -4.071 -2.153 1.00 0.00 C ATOM 675 OG1 THR A 46 -5.754 -4.205 -3.566 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.695 -4.553 -1.424 1.00 0.00 C ATOM 0 H THR A 46 -6.848 -4.872 0.363 1.00 0.00 H new ATOM 0 HA THR A 46 -8.031 -4.581 -2.324 1.00 0.00 H new ATOM 0 HB THR A 46 -6.105 -3.022 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.965 -3.693 -3.842 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.833 -3.974 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.829 -4.423 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.530 -5.608 -1.644 1.00 0.00 H new ATOM 684 N LYS A 47 -6.904 -6.802 -3.144 1.00 0.00 N ATOM 685 CA LYS A 47 -6.652 -8.204 -3.459 1.00 0.00 C ATOM 686 C LYS A 47 -5.609 -8.335 -4.564 1.00 0.00 C ATOM 687 O LYS A 47 -5.765 -7.771 -5.647 1.00 0.00 O ATOM 688 CB LYS A 47 -7.951 -8.893 -3.884 1.00 0.00 C ATOM 689 CG LYS A 47 -8.647 -8.213 -5.050 1.00 0.00 C ATOM 690 CD LYS A 47 -10.142 -8.487 -5.043 1.00 0.00 C ATOM 691 CE LYS A 47 -10.871 -7.626 -6.064 1.00 0.00 C ATOM 692 NZ LYS A 47 -10.773 -8.192 -7.437 1.00 0.00 N ATOM 0 H LYS A 47 -7.075 -6.211 -3.958 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.267 -8.689 -2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.733 -9.926 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.632 -8.923 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.473 -7.138 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.216 -8.564 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.321 -9.540 -5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.544 -8.293 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.920 -7.538 -5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.453 -6.620 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.282 -7.577 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.773 -8.253 -7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.195 -9.142 -7.452 1.00 0.00 H new ATOM 706 N ALA A 48 -4.548 -9.083 -4.284 1.00 0.00 N ATOM 707 CA ALA A 48 -3.482 -9.291 -5.256 1.00 0.00 C ATOM 708 C ALA A 48 -3.598 -10.662 -5.914 1.00 0.00 C ATOM 709 O ALA A 48 -4.240 -11.564 -5.378 1.00 0.00 O ATOM 710 CB ALA A 48 -2.122 -9.137 -4.589 1.00 0.00 C ATOM 0 H ALA A 48 -4.403 -9.555 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.581 -8.534 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.335 -9.295 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.033 -8.134 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.023 -9.872 -3.790 1.00 0.00 H new ATOM 716 N GLU A 49 -2.973 -10.809 -7.078 1.00 0.00 N ATOM 717 CA GLU A 49 -3.009 -12.071 -7.809 1.00 0.00 C ATOM 718 C GLU A 49 -2.439 -13.206 -6.963 1.00 0.00 C ATOM 719 O GLU A 49 -1.258 -13.537 -7.063 1.00 0.00 O ATOM 720 CB GLU A 49 -2.223 -11.951 -9.116 1.00 0.00 C ATOM 721 CG GLU A 49 -2.770 -12.819 -10.237 1.00 0.00 C ATOM 722 CD GLU A 49 -2.139 -14.197 -10.267 1.00 0.00 C ATOM 723 OE1 GLU A 49 -2.261 -14.927 -9.261 1.00 0.00 O ATOM 724 OE2 GLU A 49 -1.525 -14.546 -11.297 1.00 0.00 O ATOM 0 H GLU A 49 -2.436 -10.071 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.050 -12.299 -8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.228 -10.910 -9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.184 -12.223 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.849 -12.920 -10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.598 -12.324 -11.192 1.00 0.00 H new ATOM 731 N GLY A 50 -3.288 -13.799 -6.129 1.00 0.00 N ATOM 732 CA GLY A 50 -2.852 -14.889 -5.277 1.00 0.00 C ATOM 733 C GLY A 50 -1.801 -15.758 -5.939 1.00 0.00 C ATOM 734 O GLY A 50 -1.839 -15.976 -7.151 1.00 0.00 O ATOM 0 H GLY A 50 -4.270 -13.543 -6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.451 -14.482 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.712 -15.504 -5.010 1.00 0.00 H new ATOM 738 N PHE A 51 -0.859 -16.254 -5.145 1.00 0.00 N ATOM 739 CA PHE A 51 0.210 -17.102 -5.662 1.00 0.00 C ATOM 740 C PHE A 51 -0.361 -18.265 -6.468 1.00 0.00 C ATOM 741 O PHE A 51 0.346 -18.896 -7.253 1.00 0.00 O ATOM 742 CB PHE A 51 1.068 -17.635 -4.513 1.00 0.00 C ATOM 743 CG PHE A 51 2.091 -16.651 -4.022 1.00 0.00 C ATOM 744 CD1 PHE A 51 1.699 -15.450 -3.452 1.00 0.00 C ATOM 745 CD2 PHE A 51 3.445 -16.926 -4.132 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.638 -14.543 -2.999 1.00 0.00 C ATOM 747 CE2 PHE A 51 4.388 -16.022 -3.681 1.00 0.00 C ATOM 748 CZ PHE A 51 3.984 -14.829 -3.114 1.00 0.00 C ATOM 0 H PHE A 51 -0.813 -16.084 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 51 0.833 -16.498 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.418 -17.915 -3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.576 -18.542 -4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.648 -15.220 -3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 51 3.767 -17.857 -4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.319 -13.611 -2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.440 -16.248 -3.772 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.720 -14.121 -2.761 1.00 0.00 H new ATOM 758 N MET A 52 -1.645 -18.543 -6.266 1.00 0.00 N ATOM 759 CA MET A 52 -2.311 -19.630 -6.974 1.00 0.00 C ATOM 760 C MET A 52 -3.492 -19.106 -7.786 1.00 0.00 C ATOM 761 O MET A 52 -4.509 -19.786 -7.928 1.00 0.00 O ATOM 762 CB MET A 52 -2.789 -20.694 -5.985 1.00 0.00 C ATOM 763 CG MET A 52 -3.809 -20.178 -4.983 1.00 0.00 C ATOM 764 SD MET A 52 -3.931 -21.220 -3.517 1.00 0.00 S ATOM 765 CE MET A 52 -2.829 -20.360 -2.397 1.00 0.00 C ATOM 0 H MET A 52 -2.244 -18.031 -5.619 1.00 0.00 H new ATOM 0 HA MET A 52 -1.592 -20.079 -7.659 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.225 -21.524 -6.540 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.929 -21.089 -5.445 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.538 -19.166 -4.683 1.00 0.00 H new ATOM 0 HG3 MET A 52 -4.786 -20.117 -5.463 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.798 -20.885 -1.442 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.827 -20.327 -2.826 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.190 -19.344 -2.240 1.00 0.00 H new ATOM 775 N ASP A 53 -3.351 -17.896 -8.315 1.00 0.00 N ATOM 776 CA ASP A 53 -4.406 -17.282 -9.113 1.00 0.00 C ATOM 777 C ASP A 53 -5.715 -17.225 -8.331 1.00 0.00 C ATOM 778 O ASP A 53 -6.753 -17.686 -8.805 1.00 0.00 O ATOM 779 CB ASP A 53 -4.608 -18.060 -10.414 1.00 0.00 C ATOM 780 CG ASP A 53 -3.385 -18.021 -11.309 1.00 0.00 C ATOM 781 OD1 ASP A 53 -3.161 -16.981 -11.963 1.00 0.00 O ATOM 782 OD2 ASP A 53 -2.651 -19.030 -11.353 1.00 0.00 O ATOM 0 H ASP A 53 -2.516 -17.320 -8.206 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.102 -16.263 -9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.850 -19.097 -10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.461 -17.647 -10.952 1.00 0.00 H new ATOM 787 N ALA A 54 -5.657 -16.657 -7.131 1.00 0.00 N ATOM 788 CA ALA A 54 -6.837 -16.538 -6.285 1.00 0.00 C ATOM 789 C ALA A 54 -6.763 -15.290 -5.411 1.00 0.00 C ATOM 790 O ALA A 54 -5.845 -15.138 -4.606 1.00 0.00 O ATOM 791 CB ALA A 54 -6.994 -17.781 -5.421 1.00 0.00 C ATOM 0 H ALA A 54 -4.805 -16.272 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.709 -16.445 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.880 -17.679 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.101 -18.657 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.114 -17.899 -4.789 1.00 0.00 H new ATOM 797 N ASP A 55 -7.735 -14.400 -5.577 1.00 0.00 N ATOM 798 CA ASP A 55 -7.780 -13.164 -4.803 1.00 0.00 C ATOM 799 C ASP A 55 -7.388 -13.418 -3.351 1.00 0.00 C ATOM 800 O ASP A 55 -7.856 -14.373 -2.729 1.00 0.00 O ATOM 801 CB ASP A 55 -9.179 -12.549 -4.867 1.00 0.00 C ATOM 802 CG ASP A 55 -10.275 -13.586 -4.721 1.00 0.00 C ATOM 803 OD1 ASP A 55 -10.664 -14.185 -5.745 1.00 0.00 O ATOM 804 OD2 ASP A 55 -10.745 -13.797 -3.583 1.00 0.00 O ATOM 0 H ASP A 55 -8.502 -14.511 -6.240 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.064 -12.466 -5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.281 -11.803 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.300 -12.028 -5.817 1.00 0.00 H new ATOM 809 N ILE A 56 -6.527 -12.559 -2.817 1.00 0.00 N ATOM 810 CA ILE A 56 -6.072 -12.690 -1.439 1.00 0.00 C ATOM 811 C ILE A 56 -6.409 -11.444 -0.627 1.00 0.00 C ATOM 812 O ILE A 56 -6.268 -10.313 -1.093 1.00 0.00 O ATOM 813 CB ILE A 56 -4.554 -12.941 -1.368 1.00 0.00 C ATOM 814 CG1 ILE A 56 -4.194 -14.234 -2.102 1.00 0.00 C ATOM 815 CG2 ILE A 56 -4.094 -13.002 0.081 1.00 0.00 C ATOM 816 CD1 ILE A 56 -2.743 -14.632 -1.948 1.00 0.00 C ATOM 0 H ILE A 56 -6.130 -11.764 -3.318 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.594 -13.548 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.041 -12.113 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.825 -15.041 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.419 -14.115 -3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.019 -13.180 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.321 -12.057 0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.612 -13.813 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.560 -15.557 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.105 -13.843 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.517 -14.783 -0.892 1.00 0.00 H new ATOM 828 N PRO A 57 -6.862 -11.652 0.617 1.00 0.00 N ATOM 829 CA PRO A 57 -7.226 -10.557 1.521 1.00 0.00 C ATOM 830 C PRO A 57 -6.010 -9.766 1.992 1.00 0.00 C ATOM 831 O PRO A 57 -5.129 -10.304 2.664 1.00 0.00 O ATOM 832 CB PRO A 57 -7.886 -11.276 2.701 1.00 0.00 C ATOM 833 CG PRO A 57 -7.302 -12.646 2.685 1.00 0.00 C ATOM 834 CD PRO A 57 -7.055 -12.974 1.238 1.00 0.00 C ATOM 0 HA PRO A 57 -7.871 -9.825 1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.676 -10.767 3.642 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.970 -11.306 2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.375 -12.682 3.257 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.984 -13.366 3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.177 -13.608 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.898 -13.506 0.797 1.00 0.00 H new ATOM 842 N LEU A 58 -5.969 -8.487 1.636 1.00 0.00 N ATOM 843 CA LEU A 58 -4.861 -7.621 2.023 1.00 0.00 C ATOM 844 C LEU A 58 -5.372 -6.337 2.667 1.00 0.00 C ATOM 845 O LEU A 58 -6.292 -5.698 2.156 1.00 0.00 O ATOM 846 CB LEU A 58 -4.000 -7.285 0.803 1.00 0.00 C ATOM 847 CG LEU A 58 -2.980 -8.346 0.389 1.00 0.00 C ATOM 848 CD1 LEU A 58 -2.707 -8.270 -1.105 1.00 0.00 C ATOM 849 CD2 LEU A 58 -1.689 -8.180 1.178 1.00 0.00 C ATOM 0 H LEU A 58 -6.690 -8.027 1.080 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.253 -8.155 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.661 -7.096 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.467 -6.356 1.004 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.395 -9.329 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.979 -9.033 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.634 -8.438 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.312 -7.285 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.974 -8.943 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.270 -7.192 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.897 -8.285 2.243 1.00 0.00 H new ATOM 861 N GLU A 59 -4.769 -5.964 3.792 1.00 0.00 N ATOM 862 CA GLU A 59 -5.164 -4.754 4.505 1.00 0.00 C ATOM 863 C GLU A 59 -4.069 -3.694 4.425 1.00 0.00 C ATOM 864 O GLU A 59 -2.976 -3.872 4.964 1.00 0.00 O ATOM 865 CB GLU A 59 -5.472 -5.076 5.968 1.00 0.00 C ATOM 866 CG GLU A 59 -6.516 -4.161 6.586 1.00 0.00 C ATOM 867 CD GLU A 59 -6.092 -2.705 6.579 1.00 0.00 C ATOM 868 OE1 GLU A 59 -6.095 -2.091 5.492 1.00 0.00 O ATOM 869 OE2 GLU A 59 -5.759 -2.180 7.662 1.00 0.00 O ATOM 0 H GLU A 59 -4.006 -6.481 4.229 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.063 -4.360 4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.817 -6.107 6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.552 -5.007 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.454 -4.265 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.707 -4.475 7.612 1.00 0.00 H new ATOM 876 N LEU A 60 -4.371 -2.591 3.748 1.00 0.00 N ATOM 877 CA LEU A 60 -3.413 -1.501 3.596 1.00 0.00 C ATOM 878 C LEU A 60 -3.922 -0.231 4.271 1.00 0.00 C ATOM 879 O LEU A 60 -5.048 0.205 4.028 1.00 0.00 O ATOM 880 CB LEU A 60 -3.146 -1.233 2.114 1.00 0.00 C ATOM 881 CG LEU A 60 -2.138 -2.162 1.435 1.00 0.00 C ATOM 882 CD1 LEU A 60 -2.472 -2.325 -0.039 1.00 0.00 C ATOM 883 CD2 LEU A 60 -0.723 -1.631 1.609 1.00 0.00 C ATOM 0 H LEU A 60 -5.271 -2.428 3.296 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.482 -1.799 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.092 -1.301 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.793 -0.207 2.009 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.197 -3.141 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.744 -2.989 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.470 -2.751 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.441 -1.352 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.019 -2.304 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.649 -0.640 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.486 -1.568 2.671 1.00 0.00 H new ATOM 895 N VAL A 61 -3.085 0.360 5.117 1.00 0.00 N ATOM 896 CA VAL A 61 -3.449 1.582 5.824 1.00 0.00 C ATOM 897 C VAL A 61 -2.397 2.667 5.624 1.00 0.00 C ATOM 898 O VAL A 61 -1.346 2.653 6.265 1.00 0.00 O ATOM 899 CB VAL A 61 -3.626 1.326 7.333 1.00 0.00 C ATOM 900 CG1 VAL A 61 -4.207 2.554 8.018 1.00 0.00 C ATOM 901 CG2 VAL A 61 -4.507 0.108 7.566 1.00 0.00 C ATOM 0 H VAL A 61 -2.150 0.012 5.330 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.398 1.919 5.406 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.647 1.126 7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.325 2.355 9.083 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.534 3.400 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.179 2.788 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.622 -0.059 8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.486 0.276 7.118 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.045 -0.768 7.110 1.00 0.00 H new ATOM 911 N PHE A 62 -2.687 3.607 4.730 1.00 0.00 N ATOM 912 CA PHE A 62 -1.765 4.700 4.445 1.00 0.00 C ATOM 913 C PHE A 62 -2.084 5.919 5.305 1.00 0.00 C ATOM 914 O PHE A 62 -3.246 6.196 5.602 1.00 0.00 O ATOM 915 CB PHE A 62 -1.830 5.076 2.963 1.00 0.00 C ATOM 916 CG PHE A 62 -1.237 4.038 2.054 1.00 0.00 C ATOM 917 CD1 PHE A 62 0.130 3.990 1.834 1.00 0.00 C ATOM 918 CD2 PHE A 62 -2.047 3.108 1.421 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.678 3.036 0.997 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.505 2.151 0.584 1.00 0.00 C ATOM 921 CZ PHE A 62 -0.140 2.115 0.373 1.00 0.00 C ATOM 0 H PHE A 62 -3.553 3.634 4.191 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.756 4.363 4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.871 5.240 2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.307 6.020 2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.775 4.706 2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.114 3.132 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.745 3.011 0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.147 1.433 0.096 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.287 1.367 -0.279 1.00 0.00 H new ATOM 931 N HIS A 63 -1.043 6.645 5.702 1.00 0.00 N ATOM 932 CA HIS A 63 -1.212 7.835 6.528 1.00 0.00 C ATOM 933 C HIS A 63 -0.506 9.034 5.903 1.00 0.00 C ATOM 934 O HIS A 63 0.724 9.083 5.844 1.00 0.00 O ATOM 935 CB HIS A 63 -0.669 7.585 7.936 1.00 0.00 C ATOM 936 CG HIS A 63 -0.329 8.841 8.678 1.00 0.00 C ATOM 937 ND1 HIS A 63 0.949 9.143 9.099 1.00 0.00 N ATOM 938 CD2 HIS A 63 -1.108 9.875 9.072 1.00 0.00 C ATOM 939 CE1 HIS A 63 0.940 10.308 9.722 1.00 0.00 C ATOM 940 NE2 HIS A 63 -0.296 10.773 9.719 1.00 0.00 N ATOM 0 H HIS A 63 -0.074 6.430 5.465 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.278 8.056 6.591 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.408 7.024 8.507 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.222 6.961 7.868 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.171 9.975 8.908 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.798 10.797 10.159 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.598 11.656 10.131 1.00 0.00 H new ATOM 949 N LEU A 64 -1.290 10.000 5.438 1.00 0.00 N ATOM 950 CA LEU A 64 -0.741 11.200 4.816 1.00 0.00 C ATOM 951 C LEU A 64 -0.795 12.384 5.776 1.00 0.00 C ATOM 952 O LEU A 64 -1.813 13.064 5.906 1.00 0.00 O ATOM 953 CB LEU A 64 -1.508 11.532 3.535 1.00 0.00 C ATOM 954 CG LEU A 64 -1.782 10.358 2.594 1.00 0.00 C ATOM 955 CD1 LEU A 64 -2.852 10.727 1.578 1.00 0.00 C ATOM 956 CD2 LEU A 64 -0.502 9.929 1.891 1.00 0.00 C ATOM 0 H LEU A 64 -2.309 9.976 5.480 1.00 0.00 H new ATOM 0 HA LEU A 64 0.302 11.005 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.462 11.980 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.948 12.289 2.986 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.147 9.519 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.034 9.880 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.774 10.986 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.516 11.581 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.715 9.093 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.108 10.763 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.236 9.623 2.633 1.00 0.00 H new ATOM 968 N PRO A 65 0.328 12.639 6.465 1.00 0.00 N ATOM 969 CA PRO A 65 0.434 13.743 7.423 1.00 0.00 C ATOM 970 C PRO A 65 0.427 15.107 6.740 1.00 0.00 C ATOM 971 O PRO A 65 0.127 15.215 5.551 1.00 0.00 O ATOM 972 CB PRO A 65 1.783 13.494 8.103 1.00 0.00 C ATOM 973 CG PRO A 65 2.572 12.718 7.106 1.00 0.00 C ATOM 974 CD PRO A 65 1.579 11.870 6.361 1.00 0.00 C ATOM 0 HA PRO A 65 -0.410 13.766 8.113 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.278 14.432 8.356 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.661 12.937 9.032 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.104 13.383 6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.322 12.099 7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.875 11.723 5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.481 10.880 6.807 1.00 0.00 H new ATOM 982 N VAL A 66 0.758 16.146 7.499 1.00 0.00 N ATOM 983 CA VAL A 66 0.791 17.503 6.966 1.00 0.00 C ATOM 984 C VAL A 66 2.145 17.815 6.340 1.00 0.00 C ATOM 985 O VAL A 66 2.281 18.766 5.573 1.00 0.00 O ATOM 986 CB VAL A 66 0.493 18.544 8.062 1.00 0.00 C ATOM 987 CG1 VAL A 66 -0.935 18.395 8.566 1.00 0.00 C ATOM 988 CG2 VAL A 66 1.487 18.413 9.206 1.00 0.00 C ATOM 0 H VAL A 66 1.007 16.074 8.485 1.00 0.00 H new ATOM 0 HA VAL A 66 0.018 17.561 6.200 1.00 0.00 H new ATOM 0 HB VAL A 66 0.599 19.540 7.631 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.127 19.138 9.340 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.630 18.543 7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.072 17.396 8.981 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.261 19.156 9.971 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.416 17.415 9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.497 18.574 8.830 1.00 0.00 H new ATOM 998 N ASN A 67 3.146 17.005 6.673 1.00 0.00 N ATOM 999 CA ASN A 67 4.491 17.194 6.142 1.00 0.00 C ATOM 1000 C ASN A 67 4.608 16.614 4.736 1.00 0.00 C ATOM 1001 O ASN A 67 5.175 17.239 3.840 1.00 0.00 O ATOM 1002 CB ASN A 67 5.522 16.539 7.064 1.00 0.00 C ATOM 1003 CG ASN A 67 6.028 17.489 8.133 1.00 0.00 C ATOM 1004 OD1 ASN A 67 6.115 18.698 7.914 1.00 0.00 O ATOM 1005 ND2 ASN A 67 6.364 16.945 9.296 1.00 0.00 N ATOM 0 H ASN A 67 3.051 16.212 7.308 1.00 0.00 H new ATOM 0 HA ASN A 67 4.687 18.265 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.077 15.665 7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.364 16.184 6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.711 17.534 10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.275 15.938 9.433 1.00 0.00 H new ATOM 1012 N TYR A 68 4.068 15.414 4.551 1.00 0.00 N ATOM 1013 CA TYR A 68 4.113 14.748 3.255 1.00 0.00 C ATOM 1014 C TYR A 68 3.699 15.701 2.137 1.00 0.00 C ATOM 1015 O TYR A 68 2.888 16.608 2.329 1.00 0.00 O ATOM 1016 CB TYR A 68 3.202 13.520 3.257 1.00 0.00 C ATOM 1017 CG TYR A 68 2.640 13.180 1.895 1.00 0.00 C ATOM 1018 CD1 TYR A 68 1.761 14.041 1.250 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.990 11.998 1.253 1.00 0.00 C ATOM 1020 CE1 TYR A 68 1.245 13.734 0.006 1.00 0.00 C ATOM 1021 CE2 TYR A 68 2.479 11.684 0.008 1.00 0.00 C ATOM 1022 CZ TYR A 68 1.607 12.554 -0.611 1.00 0.00 C ATOM 1023 OH TYR A 68 1.096 12.246 -1.851 1.00 0.00 O ATOM 0 H TYR A 68 3.594 14.883 5.282 1.00 0.00 H new ATOM 0 HA TYR A 68 5.140 14.430 3.075 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.761 12.664 3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.377 13.691 3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.476 14.966 1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.673 11.314 1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.562 14.414 -0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.761 10.762 -0.478 1.00 0.00 H new ATOM 0 HH TYR A 68 1.451 11.381 -2.146 1.00 0.00 H new ATOM 1033 N PRO A 69 4.267 15.491 0.941 1.00 0.00 N ATOM 1034 CA PRO A 69 5.234 14.415 0.701 1.00 0.00 C ATOM 1035 C PRO A 69 6.566 14.666 1.400 1.00 0.00 C ATOM 1036 O PRO A 69 7.387 13.760 1.535 1.00 0.00 O ATOM 1037 CB PRO A 69 5.415 14.433 -0.818 1.00 0.00 C ATOM 1038 CG PRO A 69 5.078 15.826 -1.224 1.00 0.00 C ATOM 1039 CD PRO A 69 4.011 16.288 -0.270 1.00 0.00 C ATOM 0 HA PRO A 69 4.885 13.459 1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.436 14.175 -1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.760 13.710 -1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.955 16.471 -1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.721 15.857 -2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 69 4.086 17.357 -0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.012 16.107 -0.666 1.00 0.00 H new ATOM 1047 N SER A 70 6.773 15.903 1.842 1.00 0.00 N ATOM 1048 CA SER A 70 8.007 16.273 2.524 1.00 0.00 C ATOM 1049 C SER A 70 8.533 15.114 3.364 1.00 0.00 C ATOM 1050 O SER A 70 9.724 14.801 3.333 1.00 0.00 O ATOM 1051 CB SER A 70 7.776 17.498 3.412 1.00 0.00 C ATOM 1052 OG SER A 70 8.966 18.252 3.560 1.00 0.00 O ATOM 0 H SER A 70 6.102 16.665 1.740 1.00 0.00 H new ATOM 0 HA SER A 70 8.752 16.517 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.997 18.124 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.420 17.179 4.391 1.00 0.00 H new ATOM 0 HG SER A 70 8.792 19.030 4.130 1.00 0.00 H new ATOM 1058 N CYS A 71 7.638 14.481 4.114 1.00 0.00 N ATOM 1059 CA CYS A 71 8.011 13.356 4.964 1.00 0.00 C ATOM 1060 C CYS A 71 7.380 12.062 4.462 1.00 0.00 C ATOM 1061 O CYS A 71 6.341 12.081 3.799 1.00 0.00 O ATOM 1062 CB CYS A 71 7.584 13.618 6.409 1.00 0.00 C ATOM 1063 SG CYS A 71 8.522 14.928 7.231 1.00 0.00 S ATOM 0 H CYS A 71 6.649 14.728 4.151 1.00 0.00 H new ATOM 0 HA CYS A 71 9.095 13.249 4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 71 6.526 13.881 6.422 1.00 0.00 H new ATOM 0 HB3 CYS A 71 7.691 12.696 6.981 1.00 0.00 H new ATOM 0 HG CYS A 71 8.086 15.076 8.447 1.00 0.00 H new ATOM 1069 N LEU A 72 8.014 10.939 4.779 1.00 0.00 N ATOM 1070 CA LEU A 72 7.515 9.634 4.358 1.00 0.00 C ATOM 1071 C LEU A 72 6.231 9.276 5.099 1.00 0.00 C ATOM 1072 O LEU A 72 6.101 9.490 6.305 1.00 0.00 O ATOM 1073 CB LEU A 72 8.575 8.558 4.603 1.00 0.00 C ATOM 1074 CG LEU A 72 9.594 8.353 3.482 1.00 0.00 C ATOM 1075 CD1 LEU A 72 8.977 7.567 2.335 1.00 0.00 C ATOM 1076 CD2 LEU A 72 10.121 9.692 2.989 1.00 0.00 C ATOM 0 H LEU A 72 8.874 10.905 5.326 1.00 0.00 H new ATOM 0 HA LEU A 72 7.295 9.684 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.115 8.809 5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.067 7.610 4.783 1.00 0.00 H new ATOM 0 HG LEU A 72 10.431 7.779 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.718 7.431 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.649 6.592 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.121 8.113 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.845 9.527 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.293 10.291 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.603 10.219 3.813 1.00 0.00 H new ATOM 1088 N PRO A 73 5.259 8.717 4.364 1.00 0.00 N ATOM 1089 CA PRO A 73 3.968 8.315 4.931 1.00 0.00 C ATOM 1090 C PRO A 73 4.092 7.112 5.860 1.00 0.00 C ATOM 1091 O PRO A 73 5.169 6.533 6.001 1.00 0.00 O ATOM 1092 CB PRO A 73 3.135 7.955 3.698 1.00 0.00 C ATOM 1093 CG PRO A 73 4.136 7.576 2.662 1.00 0.00 C ATOM 1094 CD PRO A 73 5.345 8.433 2.921 1.00 0.00 C ATOM 0 HA PRO A 73 3.529 9.103 5.543 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.452 7.132 3.908 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.527 8.798 3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.386 6.517 2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.744 7.747 1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.268 7.912 2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.323 9.348 2.329 1.00 0.00 H new ATOM 1102 N GLY A 74 2.983 6.741 6.491 1.00 0.00 N ATOM 1103 CA GLY A 74 2.990 5.608 7.399 1.00 0.00 C ATOM 1104 C GLY A 74 2.327 4.383 6.801 1.00 0.00 C ATOM 1105 O GLY A 74 1.144 4.132 7.037 1.00 0.00 O ATOM 0 H GLY A 74 2.080 7.204 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.019 5.367 7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.477 5.882 8.321 1.00 0.00 H new ATOM 1109 N ILE A 75 3.088 3.619 6.025 1.00 0.00 N ATOM 1110 CA ILE A 75 2.566 2.414 5.392 1.00 0.00 C ATOM 1111 C ILE A 75 2.380 1.294 6.411 1.00 0.00 C ATOM 1112 O ILE A 75 3.177 1.145 7.337 1.00 0.00 O ATOM 1113 CB ILE A 75 3.496 1.921 4.268 1.00 0.00 C ATOM 1114 CG1 ILE A 75 3.675 3.011 3.210 1.00 0.00 C ATOM 1115 CG2 ILE A 75 2.941 0.652 3.640 1.00 0.00 C ATOM 1116 CD1 ILE A 75 4.983 2.913 2.457 1.00 0.00 C ATOM 0 H ILE A 75 4.068 3.813 5.819 1.00 0.00 H new ATOM 0 HA ILE A 75 1.599 2.676 4.963 1.00 0.00 H new ATOM 0 HB ILE A 75 4.472 1.694 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.851 2.955 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.615 3.987 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.609 0.316 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.860 -0.125 4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.955 0.854 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.042 3.717 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.814 3.000 3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.038 1.952 1.946 1.00 0.00 H new ATOM 1128 N SER A 76 1.324 0.508 6.231 1.00 0.00 N ATOM 1129 CA SER A 76 1.032 -0.598 7.136 1.00 0.00 C ATOM 1130 C SER A 76 0.608 -1.839 6.357 1.00 0.00 C ATOM 1131 O SER A 76 -0.369 -1.812 5.608 1.00 0.00 O ATOM 1132 CB SER A 76 -0.068 -0.201 8.122 1.00 0.00 C ATOM 1133 OG SER A 76 -0.366 -1.265 9.010 1.00 0.00 O ATOM 0 H SER A 76 0.656 0.616 5.467 1.00 0.00 H new ATOM 0 HA SER A 76 1.941 -0.831 7.691 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.248 0.674 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.967 0.082 7.574 1.00 0.00 H new ATOM 0 HG SER A 76 -1.071 -0.985 9.631 1.00 0.00 H new ATOM 1139 N ILE A 77 1.350 -2.926 6.539 1.00 0.00 N ATOM 1140 CA ILE A 77 1.052 -4.178 5.854 1.00 0.00 C ATOM 1141 C ILE A 77 0.691 -5.276 6.849 1.00 0.00 C ATOM 1142 O ILE A 77 1.506 -5.661 7.687 1.00 0.00 O ATOM 1143 CB ILE A 77 2.241 -4.648 4.996 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.688 -3.532 4.050 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.868 -5.897 4.212 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.584 -3.026 3.149 1.00 0.00 C ATOM 0 H ILE A 77 2.162 -2.965 7.155 1.00 0.00 H new ATOM 0 HA ILE A 77 0.199 -3.986 5.203 1.00 0.00 H new ATOM 0 HB ILE A 77 3.072 -4.893 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.075 -2.701 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.510 -3.896 3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.719 -6.217 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.594 -6.693 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.024 -5.678 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.972 -2.236 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.212 -3.845 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.770 -2.631 3.757 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.535 -5.778 6.750 1.00 0.00 N ATOM 1159 CA ASN A 78 -1.004 -6.833 7.640 1.00 0.00 C ATOM 1160 C ASN A 78 -2.082 -7.676 6.965 1.00 0.00 C ATOM 1161 O ASN A 78 -3.133 -7.165 6.580 1.00 0.00 O ATOM 1162 CB ASN A 78 -1.549 -6.231 8.937 1.00 0.00 C ATOM 1163 CG ASN A 78 -0.861 -4.930 9.304 1.00 0.00 C ATOM 1164 OD1 ASN A 78 0.306 -4.921 9.695 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -1.584 -3.823 9.179 1.00 0.00 N ATOM 0 H ASN A 78 -1.222 -5.471 6.062 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.157 -7.478 7.875 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.620 -6.056 8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.422 -6.948 9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.175 -2.918 9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.548 -3.878 8.851 1.00 0.00 H new ATOM 1172 N SER A 79 -1.813 -8.970 6.827 1.00 0.00 N ATOM 1173 CA SER A 79 -2.758 -9.884 6.196 1.00 0.00 C ATOM 1174 C SER A 79 -3.059 -11.070 7.108 1.00 0.00 C ATOM 1175 O SER A 79 -2.164 -11.609 7.757 1.00 0.00 O ATOM 1176 CB SER A 79 -2.204 -10.382 4.859 1.00 0.00 C ATOM 1177 OG SER A 79 -2.740 -11.650 4.526 1.00 0.00 O ATOM 0 H SER A 79 -0.949 -9.409 7.144 1.00 0.00 H new ATOM 0 HA SER A 79 -3.686 -9.341 6.017 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.442 -9.665 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.117 -10.446 4.913 1.00 0.00 H new ATOM 0 HG SER A 79 -2.641 -11.805 3.563 1.00 0.00 H new ATOM 1183 N GLU A 80 -4.327 -11.469 7.151 1.00 0.00 N ATOM 1184 CA GLU A 80 -4.746 -12.590 7.983 1.00 0.00 C ATOM 1185 C GLU A 80 -4.064 -13.881 7.541 1.00 0.00 C ATOM 1186 O GLU A 80 -3.889 -14.805 8.335 1.00 0.00 O ATOM 1187 CB GLU A 80 -6.266 -12.757 7.925 1.00 0.00 C ATOM 1188 CG GLU A 80 -7.032 -11.508 8.328 1.00 0.00 C ATOM 1189 CD GLU A 80 -8.450 -11.495 7.792 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -8.644 -11.071 6.634 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -9.367 -11.910 8.533 1.00 0.00 O ATOM 0 H GLU A 80 -5.081 -11.033 6.620 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.450 -12.377 9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.554 -13.038 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.558 -13.579 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.058 -11.437 9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.502 -10.628 7.964 1.00 0.00 H new ATOM 1198 N GLN A 81 -3.681 -13.936 6.270 1.00 0.00 N ATOM 1199 CA GLN A 81 -3.019 -15.114 5.722 1.00 0.00 C ATOM 1200 C GLN A 81 -1.507 -15.021 5.898 1.00 0.00 C ATOM 1201 O GLN A 81 -0.875 -15.938 6.424 1.00 0.00 O ATOM 1202 CB GLN A 81 -3.362 -15.275 4.240 1.00 0.00 C ATOM 1203 CG GLN A 81 -4.823 -15.614 3.987 1.00 0.00 C ATOM 1204 CD GLN A 81 -5.020 -16.443 2.733 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -4.058 -16.798 2.051 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -6.272 -16.756 2.421 1.00 0.00 N ATOM 0 H GLN A 81 -3.818 -13.179 5.600 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.377 -15.987 6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.116 -14.351 3.716 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.737 -16.059 3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.220 -16.158 4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.397 -14.691 3.902 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.039 -16.441 3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.466 -17.312 1.588 1.00 0.00 H new ATOM 1215 N LEU A 82 -0.933 -13.908 5.455 1.00 0.00 N ATOM 1216 CA LEU A 82 0.506 -13.694 5.564 1.00 0.00 C ATOM 1217 C LEU A 82 0.947 -13.687 7.025 1.00 0.00 C ATOM 1218 O LEU A 82 0.192 -13.286 7.911 1.00 0.00 O ATOM 1219 CB LEU A 82 0.898 -12.376 4.895 1.00 0.00 C ATOM 1220 CG LEU A 82 0.446 -12.198 3.445 1.00 0.00 C ATOM 1221 CD1 LEU A 82 0.515 -10.734 3.040 1.00 0.00 C ATOM 1222 CD2 LEU A 82 1.294 -13.053 2.514 1.00 0.00 C ATOM 0 H LEU A 82 -1.442 -13.140 5.017 1.00 0.00 H new ATOM 0 HA LEU A 82 1.010 -14.516 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.488 -11.556 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.983 -12.283 4.930 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.590 -12.526 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.190 -10.627 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.136 -10.146 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.541 -10.378 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.959 -12.914 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.339 -12.756 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.192 -14.102 2.790 1.00 0.00 H new ATOM 1234 N THR A 83 2.176 -14.132 7.269 1.00 0.00 N ATOM 1235 CA THR A 83 2.718 -14.176 8.621 1.00 0.00 C ATOM 1236 C THR A 83 3.349 -12.842 9.004 1.00 0.00 C ATOM 1237 O THR A 83 3.336 -11.891 8.222 1.00 0.00 O ATOM 1238 CB THR A 83 3.772 -15.290 8.768 1.00 0.00 C ATOM 1239 OG1 THR A 83 4.953 -14.947 8.034 1.00 0.00 O ATOM 1240 CG2 THR A 83 3.226 -16.619 8.269 1.00 0.00 C ATOM 0 H THR A 83 2.814 -14.467 6.548 1.00 0.00 H new ATOM 0 HA THR A 83 1.883 -14.385 9.289 1.00 0.00 H new ATOM 0 HB THR A 83 4.019 -15.390 9.825 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.619 -15.659 8.134 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.987 -17.391 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.344 -16.891 8.849 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.955 -16.529 7.217 1.00 0.00 H new ATOM 1248 N ARG A 84 3.901 -12.779 10.211 1.00 0.00 N ATOM 1249 CA ARG A 84 4.537 -11.560 10.698 1.00 0.00 C ATOM 1250 C ARG A 84 5.786 -11.237 9.885 1.00 0.00 C ATOM 1251 O ARG A 84 5.912 -10.146 9.329 1.00 0.00 O ATOM 1252 CB ARG A 84 4.901 -11.705 12.177 1.00 0.00 C ATOM 1253 CG ARG A 84 4.938 -10.384 12.928 1.00 0.00 C ATOM 1254 CD ARG A 84 5.840 -10.463 14.149 1.00 0.00 C ATOM 1255 NE ARG A 84 5.162 -11.066 15.293 1.00 0.00 N ATOM 1256 CZ ARG A 84 5.792 -11.480 16.386 1.00 0.00 C ATOM 1257 NH1 ARG A 84 7.109 -11.357 16.484 1.00 0.00 N ATOM 1258 NH2 ARG A 84 5.105 -12.019 17.386 1.00 0.00 N ATOM 0 H ARG A 84 3.921 -13.557 10.870 1.00 0.00 H new ATOM 0 HA ARG A 84 3.828 -10.740 10.584 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.179 -12.366 12.657 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.876 -12.186 12.257 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.292 -9.596 12.263 1.00 0.00 H new ATOM 0 HG3 ARG A 84 3.929 -10.111 13.237 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.729 -11.046 13.906 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.178 -9.462 14.415 1.00 0.00 H new ATOM 0 HE ARG A 84 4.149 -11.175 15.250 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.641 -10.943 15.718 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.590 -11.676 17.325 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.092 -12.115 17.315 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.590 -12.337 18.225 1.00 0.00 H new ATOM 1272 N ALA A 85 6.708 -12.192 9.820 1.00 0.00 N ATOM 1273 CA ALA A 85 7.946 -12.010 9.074 1.00 0.00 C ATOM 1274 C ALA A 85 7.668 -11.493 7.666 1.00 0.00 C ATOM 1275 O ALA A 85 8.399 -10.648 7.151 1.00 0.00 O ATOM 1276 CB ALA A 85 8.724 -13.316 9.014 1.00 0.00 C ATOM 0 H ALA A 85 6.620 -13.100 10.276 1.00 0.00 H new ATOM 0 HA ALA A 85 8.548 -11.265 9.595 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.647 -13.165 8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.964 -13.644 10.026 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.120 -14.077 8.520 1.00 0.00 H new ATOM 1282 N GLN A 86 6.609 -12.008 7.051 1.00 0.00 N ATOM 1283 CA GLN A 86 6.236 -11.598 5.702 1.00 0.00 C ATOM 1284 C GLN A 86 5.741 -10.156 5.688 1.00 0.00 C ATOM 1285 O GLN A 86 6.352 -9.285 5.067 1.00 0.00 O ATOM 1286 CB GLN A 86 5.156 -12.527 5.144 1.00 0.00 C ATOM 1287 CG GLN A 86 5.678 -13.898 4.746 1.00 0.00 C ATOM 1288 CD GLN A 86 4.592 -14.796 4.188 1.00 0.00 C ATOM 1289 OE1 GLN A 86 3.464 -14.805 4.680 1.00 0.00 O ATOM 1290 NE2 GLN A 86 4.928 -15.558 3.153 1.00 0.00 N ATOM 0 H GLN A 86 5.994 -12.709 7.464 1.00 0.00 H new ATOM 0 HA GLN A 86 7.123 -11.664 5.071 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.372 -12.649 5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.697 -12.056 4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.465 -13.781 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.130 -14.377 5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.875 -15.519 2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.239 -16.183 2.734 1.00 0.00 H new ATOM 1299 N CYS A 87 4.631 -9.911 6.375 1.00 0.00 N ATOM 1300 CA CYS A 87 4.052 -8.573 6.441 1.00 0.00 C ATOM 1301 C CYS A 87 5.128 -7.528 6.717 1.00 0.00 C ATOM 1302 O CYS A 87 5.157 -6.471 6.088 1.00 0.00 O ATOM 1303 CB CYS A 87 2.976 -8.514 7.526 1.00 0.00 C ATOM 1304 SG CYS A 87 3.609 -8.122 9.174 1.00 0.00 S ATOM 0 H CYS A 87 4.114 -10.621 6.894 1.00 0.00 H new ATOM 0 HA CYS A 87 3.597 -8.353 5.476 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.234 -7.766 7.246 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.462 -9.474 7.565 1.00 0.00 H new ATOM 0 HG CYS A 87 4.535 -8.975 9.497 1.00 0.00 H new ATOM 1310 N VAL A 88 6.011 -7.831 7.664 1.00 0.00 N ATOM 1311 CA VAL A 88 7.089 -6.918 8.024 1.00 0.00 C ATOM 1312 C VAL A 88 7.998 -6.644 6.831 1.00 0.00 C ATOM 1313 O VAL A 88 8.389 -5.502 6.583 1.00 0.00 O ATOM 1314 CB VAL A 88 7.935 -7.478 9.183 1.00 0.00 C ATOM 1315 CG1 VAL A 88 9.121 -6.569 9.466 1.00 0.00 C ATOM 1316 CG2 VAL A 88 7.080 -7.655 10.428 1.00 0.00 C ATOM 0 H VAL A 88 6.001 -8.702 8.195 1.00 0.00 H new ATOM 0 HA VAL A 88 6.622 -5.986 8.343 1.00 0.00 H new ATOM 0 HB VAL A 88 8.319 -8.456 8.891 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.707 -6.981 10.288 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.745 -6.497 8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.762 -5.576 9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.693 -8.051 11.237 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.666 -6.691 10.725 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.267 -8.349 10.215 1.00 0.00 H new ATOM 1326 N THR A 89 8.333 -7.699 6.095 1.00 0.00 N ATOM 1327 CA THR A 89 9.198 -7.573 4.928 1.00 0.00 C ATOM 1328 C THR A 89 8.600 -6.618 3.901 1.00 0.00 C ATOM 1329 O THR A 89 9.279 -5.721 3.403 1.00 0.00 O ATOM 1330 CB THR A 89 9.443 -8.939 4.261 1.00 0.00 C ATOM 1331 OG1 THR A 89 10.057 -9.836 5.192 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.329 -8.790 3.033 1.00 0.00 C ATOM 0 H THR A 89 8.019 -8.650 6.286 1.00 0.00 H new ATOM 0 HA THR A 89 10.149 -7.174 5.281 1.00 0.00 H new ATOM 0 HB THR A 89 8.480 -9.344 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.450 -9.992 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.488 -9.768 2.578 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.845 -8.130 2.313 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.289 -8.366 3.326 1.00 0.00 H new ATOM 1340 N VAL A 90 7.323 -6.816 3.589 1.00 0.00 N ATOM 1341 CA VAL A 90 6.632 -5.971 2.622 1.00 0.00 C ATOM 1342 C VAL A 90 6.734 -4.500 3.007 1.00 0.00 C ATOM 1343 O VAL A 90 7.272 -3.686 2.256 1.00 0.00 O ATOM 1344 CB VAL A 90 5.146 -6.357 2.500 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.438 -5.449 1.506 1.00 0.00 C ATOM 1346 CG2 VAL A 90 5.007 -7.817 2.094 1.00 0.00 C ATOM 0 H VAL A 90 6.746 -7.554 3.992 1.00 0.00 H new ATOM 0 HA VAL A 90 7.120 -6.126 1.660 1.00 0.00 H new ATOM 0 HB VAL A 90 4.674 -6.227 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.389 -5.737 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.508 -4.415 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.909 -5.543 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.951 -8.073 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.494 -7.975 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.477 -8.450 2.847 1.00 0.00 H new ATOM 1356 N LYS A 91 6.214 -4.164 4.182 1.00 0.00 N ATOM 1357 CA LYS A 91 6.247 -2.790 4.670 1.00 0.00 C ATOM 1358 C LYS A 91 7.641 -2.192 4.516 1.00 0.00 C ATOM 1359 O LYS A 91 7.820 -1.176 3.844 1.00 0.00 O ATOM 1360 CB LYS A 91 5.816 -2.738 6.137 1.00 0.00 C ATOM 1361 CG LYS A 91 5.820 -1.336 6.723 1.00 0.00 C ATOM 1362 CD LYS A 91 6.117 -1.355 8.213 1.00 0.00 C ATOM 1363 CE LYS A 91 6.771 -0.058 8.667 1.00 0.00 C ATOM 1364 NZ LYS A 91 6.674 0.124 10.142 1.00 0.00 N ATOM 0 H LYS A 91 5.764 -4.825 4.815 1.00 0.00 H new ATOM 0 HA LYS A 91 5.551 -2.201 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.814 -3.158 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.481 -3.370 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.566 -0.729 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.852 -0.866 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.192 -1.511 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.772 -2.195 8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.819 -0.056 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.295 0.784 8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.131 1.018 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.673 0.147 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.150 -0.667 10.621 1.00 0.00 H new ATOM 1378 N GLU A 92 8.626 -2.828 5.142 1.00 0.00 N ATOM 1379 CA GLU A 92 10.004 -2.358 5.074 1.00 0.00 C ATOM 1380 C GLU A 92 10.392 -2.017 3.638 1.00 0.00 C ATOM 1381 O GLU A 92 11.021 -0.991 3.379 1.00 0.00 O ATOM 1382 CB GLU A 92 10.957 -3.417 5.633 1.00 0.00 C ATOM 1383 CG GLU A 92 10.984 -3.470 7.151 1.00 0.00 C ATOM 1384 CD GLU A 92 11.575 -2.217 7.768 1.00 0.00 C ATOM 1385 OE1 GLU A 92 10.923 -1.155 7.695 1.00 0.00 O ATOM 1386 OE2 GLU A 92 12.691 -2.300 8.324 1.00 0.00 O ATOM 0 H GLU A 92 8.495 -3.670 5.702 1.00 0.00 H new ATOM 0 HA GLU A 92 10.082 -1.454 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.666 -4.395 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.964 -3.217 5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.969 -3.610 7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.564 -4.336 7.470 1.00 0.00 H new ATOM 1393 N LYS A 93 10.012 -2.885 2.707 1.00 0.00 N ATOM 1394 CA LYS A 93 10.318 -2.678 1.296 1.00 0.00 C ATOM 1395 C LYS A 93 9.634 -1.420 0.770 1.00 0.00 C ATOM 1396 O LYS A 93 10.295 -0.490 0.306 1.00 0.00 O ATOM 1397 CB LYS A 93 9.878 -3.892 0.474 1.00 0.00 C ATOM 1398 CG LYS A 93 10.735 -5.125 0.705 1.00 0.00 C ATOM 1399 CD LYS A 93 12.074 -5.014 -0.003 1.00 0.00 C ATOM 1400 CE LYS A 93 13.057 -6.063 0.494 1.00 0.00 C ATOM 1401 NZ LYS A 93 14.445 -5.788 0.031 1.00 0.00 N ATOM 0 H LYS A 93 9.491 -3.740 2.904 1.00 0.00 H new ATOM 0 HA LYS A 93 11.396 -2.552 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.842 -4.129 0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.906 -3.633 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.898 -5.261 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.206 -6.009 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.929 -5.130 -1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.490 -4.019 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.037 -6.092 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.746 -7.047 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.084 -6.526 0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.470 -5.786 -1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.752 -4.860 0.387 1.00 0.00 H new ATOM 1415 N LEU A 94 8.308 -1.397 0.846 1.00 0.00 N ATOM 1416 CA LEU A 94 7.534 -0.252 0.379 1.00 0.00 C ATOM 1417 C LEU A 94 8.215 1.058 0.762 1.00 0.00 C ATOM 1418 O LEU A 94 8.313 1.979 -0.049 1.00 0.00 O ATOM 1419 CB LEU A 94 6.120 -0.295 0.962 1.00 0.00 C ATOM 1420 CG LEU A 94 5.187 -1.357 0.381 1.00 0.00 C ATOM 1421 CD1 LEU A 94 4.065 -1.675 1.358 1.00 0.00 C ATOM 1422 CD2 LEU A 94 4.619 -0.895 -0.954 1.00 0.00 C ATOM 0 H LEU A 94 7.746 -2.158 1.227 1.00 0.00 H new ATOM 0 HA LEU A 94 7.474 -0.304 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.197 -0.456 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.659 0.682 0.818 1.00 0.00 H new ATOM 0 HG LEU A 94 5.763 -2.267 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.411 -2.433 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.489 -2.049 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.490 -0.771 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.957 -1.663 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.058 0.029 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.435 -0.719 -1.655 1.00 0.00 H new ATOM 1434 N LEU A 95 8.686 1.133 2.002 1.00 0.00 N ATOM 1435 CA LEU A 95 9.360 2.330 2.493 1.00 0.00 C ATOM 1436 C LEU A 95 10.468 2.761 1.537 1.00 0.00 C ATOM 1437 O LEU A 95 10.404 3.836 0.943 1.00 0.00 O ATOM 1438 CB LEU A 95 9.942 2.077 3.885 1.00 0.00 C ATOM 1439 CG LEU A 95 9.023 2.395 5.065 1.00 0.00 C ATOM 1440 CD1 LEU A 95 8.708 3.882 5.110 1.00 0.00 C ATOM 1441 CD2 LEU A 95 7.741 1.579 4.977 1.00 0.00 C ATOM 0 H LEU A 95 8.614 0.379 2.686 1.00 0.00 H new ATOM 0 HA LEU A 95 8.625 3.132 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.234 1.029 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.852 2.668 3.989 1.00 0.00 H new ATOM 0 HG LEU A 95 9.539 2.126 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.053 4.090 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.634 4.447 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.211 4.177 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.099 1.818 5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.221 1.817 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.984 0.517 4.994 1.00 0.00 H new ATOM 1453 N GLU A 96 11.482 1.913 1.394 1.00 0.00 N ATOM 1454 CA GLU A 96 12.603 2.207 0.509 1.00 0.00 C ATOM 1455 C GLU A 96 12.119 2.847 -0.789 1.00 0.00 C ATOM 1456 O GLU A 96 12.533 3.951 -1.141 1.00 0.00 O ATOM 1457 CB GLU A 96 13.386 0.930 0.199 1.00 0.00 C ATOM 1458 CG GLU A 96 14.014 0.289 1.426 1.00 0.00 C ATOM 1459 CD GLU A 96 14.705 1.298 2.322 1.00 0.00 C ATOM 1460 OE1 GLU A 96 13.998 2.081 2.990 1.00 0.00 O ATOM 1461 OE2 GLU A 96 15.953 1.303 2.356 1.00 0.00 O ATOM 0 H GLU A 96 11.550 1.018 1.879 1.00 0.00 H new ATOM 0 HA GLU A 96 13.259 2.912 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.719 0.210 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 96 14.170 1.161 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.243 -0.229 1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.736 -0.464 1.109 1.00 0.00 H new ATOM 1468 N GLN A 97 11.240 2.144 -1.496 1.00 0.00 N ATOM 1469 CA GLN A 97 10.700 2.642 -2.756 1.00 0.00 C ATOM 1470 C GLN A 97 10.031 3.999 -2.563 1.00 0.00 C ATOM 1471 O GLN A 97 10.178 4.897 -3.390 1.00 0.00 O ATOM 1472 CB GLN A 97 9.696 1.643 -3.335 1.00 0.00 C ATOM 1473 CG GLN A 97 10.347 0.429 -3.977 1.00 0.00 C ATOM 1474 CD GLN A 97 10.881 0.719 -5.366 1.00 0.00 C ATOM 1475 OE1 GLN A 97 10.766 1.838 -5.866 1.00 0.00 O ATOM 1476 NE2 GLN A 97 11.469 -0.291 -5.996 1.00 0.00 N ATOM 0 H GLN A 97 10.887 1.228 -1.218 1.00 0.00 H new ATOM 0 HA GLN A 97 11.528 2.762 -3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.029 1.309 -2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.079 2.149 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.163 0.082 -3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.620 -0.381 -4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.542 -1.202 -5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.848 -0.156 -6.933 1.00 0.00 H new ATOM 1485 N ALA A 98 9.296 4.140 -1.464 1.00 0.00 N ATOM 1486 CA ALA A 98 8.607 5.388 -1.162 1.00 0.00 C ATOM 1487 C ALA A 98 9.541 6.583 -1.318 1.00 0.00 C ATOM 1488 O ALA A 98 9.266 7.500 -2.092 1.00 0.00 O ATOM 1489 CB ALA A 98 8.032 5.346 0.246 1.00 0.00 C ATOM 0 H ALA A 98 9.163 3.405 -0.769 1.00 0.00 H new ATOM 0 HA ALA A 98 7.790 5.504 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.520 6.285 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.324 4.521 0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.839 5.202 0.964 1.00 0.00 H new ATOM 1495 N GLU A 99 10.645 6.567 -0.578 1.00 0.00 N ATOM 1496 CA GLU A 99 11.618 7.651 -0.635 1.00 0.00 C ATOM 1497 C GLU A 99 11.809 8.136 -2.069 1.00 0.00 C ATOM 1498 O GLU A 99 11.421 9.252 -2.415 1.00 0.00 O ATOM 1499 CB GLU A 99 12.959 7.193 -0.057 1.00 0.00 C ATOM 1500 CG GLU A 99 13.056 7.345 1.451 1.00 0.00 C ATOM 1501 CD GLU A 99 14.203 6.551 2.046 1.00 0.00 C ATOM 1502 OE1 GLU A 99 14.500 5.457 1.522 1.00 0.00 O ATOM 1503 OE2 GLU A 99 14.803 7.023 3.034 1.00 0.00 O ATOM 0 H GLU A 99 10.888 5.816 0.068 1.00 0.00 H new ATOM 0 HA GLU A 99 11.237 8.479 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.120 6.147 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.761 7.766 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.182 8.399 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.120 7.020 1.906 1.00 0.00 H new ATOM 1510 N SER A 100 12.410 7.290 -2.899 1.00 0.00 N ATOM 1511 CA SER A 100 12.657 7.633 -4.295 1.00 0.00 C ATOM 1512 C SER A 100 11.419 8.262 -4.927 1.00 0.00 C ATOM 1513 O SER A 100 11.523 9.124 -5.801 1.00 0.00 O ATOM 1514 CB SER A 100 13.069 6.389 -5.083 1.00 0.00 C ATOM 1515 OG SER A 100 13.438 6.724 -6.410 1.00 0.00 O ATOM 0 H SER A 100 12.735 6.362 -2.629 1.00 0.00 H new ATOM 0 HA SER A 100 13.469 8.359 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.904 5.898 -4.583 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.244 5.676 -5.101 1.00 0.00 H new ATOM 0 HG SER A 100 13.699 5.912 -6.892 1.00 0.00 H new ATOM 1521 N LEU A 101 10.247 7.825 -4.478 1.00 0.00 N ATOM 1522 CA LEU A 101 8.987 8.345 -4.999 1.00 0.00 C ATOM 1523 C LEU A 101 8.491 9.515 -4.155 1.00 0.00 C ATOM 1524 O LEU A 101 7.286 9.739 -4.033 1.00 0.00 O ATOM 1525 CB LEU A 101 7.931 7.239 -5.029 1.00 0.00 C ATOM 1526 CG LEU A 101 7.958 6.318 -6.249 1.00 0.00 C ATOM 1527 CD1 LEU A 101 7.366 4.960 -5.906 1.00 0.00 C ATOM 1528 CD2 LEU A 101 7.206 6.951 -7.412 1.00 0.00 C ATOM 0 H LEU A 101 10.143 7.113 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 101 9.160 8.701 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.049 6.627 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.946 7.703 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 101 8.996 6.174 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.394 4.318 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.946 4.502 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.333 5.085 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.235 6.282 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.170 7.125 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.674 7.900 -7.675 1.00 0.00 H new ATOM 1540 N LEU A 102 9.426 10.260 -3.578 1.00 0.00 N ATOM 1541 CA LEU A 102 9.085 11.410 -2.748 1.00 0.00 C ATOM 1542 C LEU A 102 8.449 12.516 -3.584 1.00 0.00 C ATOM 1543 O LEU A 102 8.389 12.424 -4.810 1.00 0.00 O ATOM 1544 CB LEU A 102 10.332 11.942 -2.040 1.00 0.00 C ATOM 1545 CG LEU A 102 10.636 11.338 -0.669 1.00 0.00 C ATOM 1546 CD1 LEU A 102 12.134 11.335 -0.407 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.902 12.100 0.424 1.00 0.00 C ATOM 0 H LEU A 102 10.427 10.089 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 102 8.362 11.085 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.192 11.773 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.227 13.021 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 102 10.285 10.306 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.331 10.901 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.636 10.744 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.510 12.358 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.130 11.656 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.221 13.142 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.828 12.048 0.245 1.00 0.00 H new ATOM 1559 N SER A 103 7.978 13.562 -2.913 1.00 0.00 N ATOM 1560 CA SER A 103 7.346 14.686 -3.594 1.00 0.00 C ATOM 1561 C SER A 103 6.445 14.198 -4.725 1.00 0.00 C ATOM 1562 O SER A 103 6.200 14.919 -5.691 1.00 0.00 O ATOM 1563 CB SER A 103 8.409 15.637 -4.148 1.00 0.00 C ATOM 1564 OG SER A 103 8.925 16.475 -3.128 1.00 0.00 O ATOM 0 H SER A 103 8.022 13.655 -1.898 1.00 0.00 H new ATOM 0 HA SER A 103 6.733 15.221 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.220 15.061 -4.595 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.977 16.248 -4.941 1.00 0.00 H new ATOM 0 HG SER A 103 9.603 17.072 -3.507 1.00 0.00 H new ATOM 1570 N GLU A 104 5.955 12.970 -4.594 1.00 0.00 N ATOM 1571 CA GLU A 104 5.081 12.385 -5.605 1.00 0.00 C ATOM 1572 C GLU A 104 4.107 11.394 -4.975 1.00 0.00 C ATOM 1573 O GLU A 104 4.309 10.909 -3.861 1.00 0.00 O ATOM 1574 CB GLU A 104 5.910 11.686 -6.684 1.00 0.00 C ATOM 1575 CG GLU A 104 6.285 12.592 -7.846 1.00 0.00 C ATOM 1576 CD GLU A 104 7.603 12.203 -8.487 1.00 0.00 C ATOM 1577 OE1 GLU A 104 8.659 12.648 -7.991 1.00 0.00 O ATOM 1578 OE2 GLU A 104 7.578 11.452 -9.485 1.00 0.00 O ATOM 0 H GLU A 104 6.148 12.361 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 104 4.507 13.191 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.821 11.292 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.349 10.833 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.496 12.559 -8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.346 13.622 -7.494 1.00 0.00 H new ATOM 1585 N PRO A 105 3.023 11.086 -5.703 1.00 0.00 N ATOM 1586 CA PRO A 105 1.996 10.150 -5.236 1.00 0.00 C ATOM 1587 C PRO A 105 2.498 8.711 -5.194 1.00 0.00 C ATOM 1588 O PRO A 105 2.795 8.117 -6.230 1.00 0.00 O ATOM 1589 CB PRO A 105 0.883 10.298 -6.276 1.00 0.00 C ATOM 1590 CG PRO A 105 1.575 10.770 -7.508 1.00 0.00 C ATOM 1591 CD PRO A 105 2.718 11.626 -7.038 1.00 0.00 C ATOM 0 HA PRO A 105 1.678 10.369 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.373 9.350 -6.447 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.127 11.012 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.935 9.929 -8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.896 11.339 -8.143 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.576 11.553 -7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.439 12.679 -6.991 1.00 0.00 H new ATOM 1599 N MET A 106 2.590 8.156 -3.990 1.00 0.00 N ATOM 1600 CA MET A 106 3.055 6.785 -3.815 1.00 0.00 C ATOM 1601 C MET A 106 1.922 5.884 -3.333 1.00 0.00 C ATOM 1602 O MET A 106 1.733 4.780 -3.844 1.00 0.00 O ATOM 1603 CB MET A 106 4.215 6.741 -2.819 1.00 0.00 C ATOM 1604 CG MET A 106 3.933 7.484 -1.523 1.00 0.00 C ATOM 1605 SD MET A 106 5.399 7.656 -0.487 1.00 0.00 S ATOM 1606 CE MET A 106 6.317 8.891 -1.404 1.00 0.00 C ATOM 0 H MET A 106 2.349 8.634 -3.122 1.00 0.00 H new ATOM 0 HA MET A 106 3.401 6.419 -4.782 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.446 5.701 -2.589 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.102 7.168 -3.287 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.539 8.473 -1.755 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.160 6.955 -0.966 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.892 9.505 -0.711 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.995 8.398 -2.101 1.00 0.00 H new ATOM 0 HE3 MET A 106 5.623 9.523 -1.959 1.00 0.00 H new ATOM 1616 N VAL A 107 1.170 6.362 -2.347 1.00 0.00 N ATOM 1617 CA VAL A 107 0.055 5.600 -1.797 1.00 0.00 C ATOM 1618 C VAL A 107 -0.645 4.790 -2.882 1.00 0.00 C ATOM 1619 O VAL A 107 -0.964 3.616 -2.687 1.00 0.00 O ATOM 1620 CB VAL A 107 -0.974 6.523 -1.117 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.059 5.702 -0.436 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.287 7.444 -0.120 1.00 0.00 C ATOM 0 H VAL A 107 1.313 7.274 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 107 0.472 4.921 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.444 7.140 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.777 6.371 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.570 5.088 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.608 5.058 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.029 8.089 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.211 6.847 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.450 8.057 -0.639 1.00 0.00 H new ATOM 1632 N HIS A 108 -0.880 5.423 -4.027 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.541 4.759 -5.145 1.00 0.00 C ATOM 1634 C HIS A 108 -0.592 3.788 -5.840 1.00 0.00 C ATOM 1635 O HIS A 108 -0.807 2.577 -5.822 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.054 5.794 -6.148 1.00 0.00 C ATOM 1637 CG HIS A 108 -2.635 5.188 -7.389 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -2.195 5.504 -8.657 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -3.625 4.280 -7.551 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -2.891 4.817 -9.546 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -3.765 4.066 -8.900 1.00 0.00 N ATOM 0 H HIS A 108 -0.623 6.394 -4.205 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.386 4.194 -4.751 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -2.812 6.411 -5.665 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.234 6.456 -6.426 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -1.449 6.165 -8.875 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -4.198 3.811 -6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -2.766 4.862 -10.618 1.00 0.00 H new ATOM 1650 N GLU A 109 0.458 4.329 -6.450 1.00 0.00 N ATOM 1651 CA GLU A 109 1.439 3.509 -7.152 1.00 0.00 C ATOM 1652 C GLU A 109 1.846 2.305 -6.306 1.00 0.00 C ATOM 1653 O GLU A 109 1.649 1.156 -6.706 1.00 0.00 O ATOM 1654 CB GLU A 109 2.675 4.340 -7.502 1.00 0.00 C ATOM 1655 CG GLU A 109 2.503 5.189 -8.751 1.00 0.00 C ATOM 1656 CD GLU A 109 2.359 4.355 -10.009 1.00 0.00 C ATOM 1657 OE1 GLU A 109 3.394 3.909 -10.547 1.00 0.00 O ATOM 1658 OE2 GLU A 109 1.211 4.147 -10.454 1.00 0.00 O ATOM 0 H GLU A 109 0.651 5.330 -6.472 1.00 0.00 H new ATOM 0 HA GLU A 109 0.980 3.148 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.916 4.990 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.525 3.672 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.623 5.822 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.362 5.852 -8.856 1.00 0.00 H new ATOM 1665 N LEU A 110 2.415 2.576 -5.137 1.00 0.00 N ATOM 1666 CA LEU A 110 2.851 1.516 -4.234 1.00 0.00 C ATOM 1667 C LEU A 110 1.903 0.323 -4.298 1.00 0.00 C ATOM 1668 O LEU A 110 2.321 -0.802 -4.570 1.00 0.00 O ATOM 1669 CB LEU A 110 2.931 2.042 -2.800 1.00 0.00 C ATOM 1670 CG LEU A 110 3.982 3.122 -2.539 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.708 3.826 -1.219 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.379 2.519 -2.545 1.00 0.00 C ATOM 0 H LEU A 110 2.585 3.521 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 110 3.841 1.187 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.954 2.440 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.131 1.201 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 110 3.923 3.860 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.466 4.591 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.723 4.292 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.738 3.100 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.114 3.302 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.451 1.760 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.574 2.063 -3.515 1.00 0.00 H new ATOM 1684 N VAL A 111 0.622 0.576 -4.046 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.386 -0.476 -4.078 1.00 0.00 C ATOM 1686 C VAL A 111 -0.271 -1.310 -5.349 1.00 0.00 C ATOM 1687 O VAL A 111 -0.079 -2.525 -5.292 1.00 0.00 O ATOM 1688 CB VAL A 111 -1.809 0.107 -3.987 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -2.846 -1.005 -4.031 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -1.963 0.941 -2.724 1.00 0.00 C ATOM 0 H VAL A 111 0.258 1.501 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.206 -1.113 -3.212 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.972 0.757 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.845 -0.574 -3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.749 -1.556 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.688 -1.683 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.974 1.345 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.780 0.315 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.245 1.761 -2.740 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.389 -0.649 -6.495 1.00 0.00 N ATOM 1701 CA LEU A 112 -0.297 -1.329 -7.783 1.00 0.00 C ATOM 1702 C LEU A 112 1.044 -2.041 -7.928 1.00 0.00 C ATOM 1703 O LEU A 112 1.135 -3.090 -8.567 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.482 -0.328 -8.925 1.00 0.00 C ATOM 1705 CG LEU A 112 -1.921 0.099 -9.216 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -2.292 1.322 -8.391 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -2.105 0.379 -10.700 1.00 0.00 C ATOM 0 H LEU A 112 -0.548 0.356 -6.559 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.091 -2.075 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.102 0.564 -8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.062 -0.761 -9.833 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.586 -0.718 -8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.320 1.611 -8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.201 1.087 -7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.622 2.145 -8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.135 0.682 -10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.430 1.179 -11.006 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.882 -0.522 -11.271 1.00 0.00 H new ATOM 1719 N TRP A 113 2.081 -1.466 -7.331 1.00 0.00 N ATOM 1720 CA TRP A 113 3.418 -2.047 -7.392 1.00 0.00 C ATOM 1721 C TRP A 113 3.478 -3.355 -6.612 1.00 0.00 C ATOM 1722 O TRP A 113 4.021 -4.350 -7.093 1.00 0.00 O ATOM 1723 CB TRP A 113 4.450 -1.062 -6.841 1.00 0.00 C ATOM 1724 CG TRP A 113 5.822 -1.651 -6.710 1.00 0.00 C ATOM 1725 CD1 TRP A 113 6.693 -1.934 -7.722 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.478 -2.032 -5.495 1.00 0.00 C ATOM 1727 NE1 TRP A 113 7.852 -2.467 -7.211 1.00 0.00 N ATOM 1728 CE2 TRP A 113 7.745 -2.537 -5.847 1.00 0.00 C ATOM 1729 CE3 TRP A 113 6.119 -1.994 -4.145 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.651 -3.001 -4.897 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 7.020 -2.455 -3.204 1.00 0.00 C ATOM 1732 CH2 TRP A 113 8.274 -2.952 -3.583 1.00 0.00 C ATOM 0 H TRP A 113 2.023 -0.598 -6.799 1.00 0.00 H new ATOM 0 HA TRP A 113 3.649 -2.257 -8.436 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.497 -0.192 -7.496 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.119 -0.709 -5.864 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.500 -1.764 -8.771 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.660 -2.762 -7.758 1.00 0.00 H new ATOM 0 HE3 TRP A 113 5.155 -1.611 -3.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.617 -3.386 -5.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.753 -2.432 -2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 113 8.956 -3.303 -2.823 1.00 0.00 H new ATOM 1743 N ILE A 114 2.918 -3.348 -5.407 1.00 0.00 N ATOM 1744 CA ILE A 114 2.908 -4.535 -4.562 1.00 0.00 C ATOM 1745 C ILE A 114 1.889 -5.555 -5.059 1.00 0.00 C ATOM 1746 O ILE A 114 2.082 -6.761 -4.914 1.00 0.00 O ATOM 1747 CB ILE A 114 2.592 -4.181 -3.097 1.00 0.00 C ATOM 1748 CG1 ILE A 114 2.636 -5.438 -2.225 1.00 0.00 C ATOM 1749 CG2 ILE A 114 1.231 -3.508 -2.997 1.00 0.00 C ATOM 1750 CD1 ILE A 114 4.011 -6.062 -2.134 1.00 0.00 C ATOM 0 H ILE A 114 2.465 -2.533 -4.994 1.00 0.00 H new ATOM 0 HA ILE A 114 3.907 -4.968 -4.614 1.00 0.00 H new ATOM 0 HB ILE A 114 3.348 -3.484 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.293 -5.186 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.938 -6.173 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.022 -3.264 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.233 -2.594 -3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.463 -4.184 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 114 3.967 -6.948 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.349 -6.345 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.709 -5.343 -1.705 1.00 0.00 H new ATOM 1762 N GLN A 115 0.804 -5.060 -5.646 1.00 0.00 N ATOM 1763 CA GLN A 115 -0.246 -5.929 -6.165 1.00 0.00 C ATOM 1764 C GLN A 115 0.271 -6.776 -7.324 1.00 0.00 C ATOM 1765 O GLN A 115 -0.224 -7.875 -7.570 1.00 0.00 O ATOM 1766 CB GLN A 115 -1.446 -5.097 -6.622 1.00 0.00 C ATOM 1767 CG GLN A 115 -2.339 -4.639 -5.480 1.00 0.00 C ATOM 1768 CD GLN A 115 -2.534 -5.711 -4.426 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -1.674 -5.921 -3.571 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -3.671 -6.395 -4.481 1.00 0.00 N ATOM 0 H GLN A 115 0.629 -4.063 -5.774 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.560 -6.597 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -1.086 -4.222 -7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.039 -5.684 -7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.904 -3.754 -5.016 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -3.310 -4.346 -5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.356 -6.187 -5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -3.859 -7.128 -3.797 1.00 0.00 H new ATOM 1779 N GLN A 116 1.269 -6.255 -8.031 1.00 0.00 N ATOM 1780 CA GLN A 116 1.852 -6.964 -9.164 1.00 0.00 C ATOM 1781 C GLN A 116 3.176 -7.614 -8.777 1.00 0.00 C ATOM 1782 O GLN A 116 3.473 -8.735 -9.189 1.00 0.00 O ATOM 1783 CB GLN A 116 2.065 -6.006 -10.337 1.00 0.00 C ATOM 1784 CG GLN A 116 0.863 -5.900 -11.262 1.00 0.00 C ATOM 1785 CD GLN A 116 0.996 -4.772 -12.266 1.00 0.00 C ATOM 1786 OE1 GLN A 116 0.157 -3.873 -12.322 1.00 0.00 O ATOM 1787 NE2 GLN A 116 2.055 -4.813 -13.066 1.00 0.00 N ATOM 0 H GLN A 116 1.690 -5.346 -7.840 1.00 0.00 H new ATOM 0 HA GLN A 116 1.158 -7.748 -9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.302 -5.016 -9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.929 -6.337 -10.914 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.735 -6.842 -11.795 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -0.037 -5.746 -10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 116 2.726 -5.577 -12.985 1.00 0.00 H new ATOM 0 HE22 GLN A 116 2.198 -4.080 -13.761 1.00 0.00 H new ATOM 1796 N ASN A 117 3.969 -6.902 -7.982 1.00 0.00 N ATOM 1797 CA ASN A 117 5.263 -7.410 -7.539 1.00 0.00 C ATOM 1798 C ASN A 117 5.158 -8.026 -6.147 1.00 0.00 C ATOM 1799 O ASN A 117 6.055 -7.868 -5.318 1.00 0.00 O ATOM 1800 CB ASN A 117 6.301 -6.286 -7.536 1.00 0.00 C ATOM 1801 CG ASN A 117 6.619 -5.788 -8.932 1.00 0.00 C ATOM 1802 OD1 ASN A 117 7.293 -6.467 -9.707 1.00 0.00 O ATOM 1803 ND2 ASN A 117 6.134 -4.596 -9.259 1.00 0.00 N ATOM 0 H ASN A 117 3.738 -5.972 -7.632 1.00 0.00 H new ATOM 0 HA ASN A 117 5.580 -8.186 -8.236 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.932 -5.456 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.216 -6.642 -7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 117 6.315 -4.208 -10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.580 -4.068 -8.584 1.00 0.00 H new ATOM 1810 N LEU A 118 4.059 -8.729 -5.899 1.00 0.00 N ATOM 1811 CA LEU A 118 3.837 -9.370 -4.607 1.00 0.00 C ATOM 1812 C LEU A 118 4.736 -10.591 -4.443 1.00 0.00 C ATOM 1813 O LEU A 118 5.456 -10.715 -3.452 1.00 0.00 O ATOM 1814 CB LEU A 118 2.370 -9.781 -4.465 1.00 0.00 C ATOM 1815 CG LEU A 118 2.032 -10.656 -3.258 1.00 0.00 C ATOM 1816 CD1 LEU A 118 1.974 -9.817 -1.990 1.00 0.00 C ATOM 1817 CD2 LEU A 118 0.714 -11.383 -3.479 1.00 0.00 C ATOM 0 H LEU A 118 3.308 -8.870 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 118 4.085 -8.651 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.763 -8.877 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.074 -10.313 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 118 2.820 -11.400 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.732 -10.457 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.941 -9.343 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.207 -9.050 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.489 -12.001 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.084 -10.654 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.791 -12.015 -4.364 1.00 0.00 H new ATOM 1829 N ARG A 119 4.692 -11.488 -5.422 1.00 0.00 N ATOM 1830 CA ARG A 119 5.504 -12.699 -5.387 1.00 0.00 C ATOM 1831 C ARG A 119 6.990 -12.358 -5.440 1.00 0.00 C ATOM 1832 O ARG A 119 7.802 -12.963 -4.739 1.00 0.00 O ATOM 1833 CB ARG A 119 5.138 -13.618 -6.554 1.00 0.00 C ATOM 1834 CG ARG A 119 5.233 -12.943 -7.913 1.00 0.00 C ATOM 1835 CD ARG A 119 4.957 -13.924 -9.042 1.00 0.00 C ATOM 1836 NE ARG A 119 5.902 -15.037 -9.043 1.00 0.00 N ATOM 1837 CZ ARG A 119 5.747 -16.134 -8.311 1.00 0.00 C ATOM 1838 NH1 ARG A 119 4.688 -16.265 -7.523 1.00 0.00 N ATOM 1839 NH2 ARG A 119 6.651 -17.104 -8.366 1.00 0.00 N ATOM 0 H ARG A 119 4.103 -11.399 -6.250 1.00 0.00 H new ATOM 0 HA ARG A 119 5.301 -13.216 -4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.797 -14.486 -6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.122 -13.986 -6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.520 -12.120 -7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.227 -12.512 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 119 3.942 -14.310 -8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.011 -13.402 -9.997 1.00 0.00 H new ATOM 0 HE ARG A 119 6.727 -14.968 -9.639 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.990 -15.522 -7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 119 4.571 -17.109 -6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 119 7.466 -17.008 -8.971 1.00 0.00 H new ATOM 0 HH22 ARG A 119 6.530 -17.946 -7.803 1.00 0.00 H new ATOM 1853 N HIS A 120 7.340 -11.386 -6.276 1.00 0.00 N ATOM 1854 CA HIS A 120 8.729 -10.964 -6.421 1.00 0.00 C ATOM 1855 C HIS A 120 9.322 -10.577 -5.070 1.00 0.00 C ATOM 1856 O HIS A 120 10.445 -10.961 -4.742 1.00 0.00 O ATOM 1857 CB HIS A 120 8.828 -9.786 -7.391 1.00 0.00 C ATOM 1858 CG HIS A 120 8.512 -10.150 -8.809 1.00 0.00 C ATOM 1859 ND1 HIS A 120 9.475 -10.260 -9.790 1.00 0.00 N ATOM 1860 CD2 HIS A 120 7.332 -10.432 -9.409 1.00 0.00 C ATOM 1861 CE1 HIS A 120 8.901 -10.591 -10.932 1.00 0.00 C ATOM 1862 NE2 HIS A 120 7.600 -10.703 -10.728 1.00 0.00 N ATOM 0 H HIS A 120 6.681 -10.875 -6.864 1.00 0.00 H new ATOM 0 HA HIS A 120 9.298 -11.803 -6.821 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.147 -9.000 -7.066 1.00 0.00 H new ATOM 0 HB3 HIS A 120 9.836 -9.373 -7.346 1.00 0.00 H new ATOM 0 HD2 HIS A 120 6.360 -10.442 -8.938 1.00 0.00 H new ATOM 0 HE1 HIS A 120 9.408 -10.744 -11.873 1.00 0.00 H new ATOM 0 HE2 HIS A 120 6.908 -10.950 -11.435 1.00 0.00 H new ATOM 1871 N ILE A 121 8.562 -9.815 -4.291 1.00 0.00 N ATOM 1872 CA ILE A 121 9.013 -9.376 -2.976 1.00 0.00 C ATOM 1873 C ILE A 121 8.963 -10.520 -1.969 1.00 0.00 C ATOM 1874 O ILE A 121 9.875 -10.690 -1.159 1.00 0.00 O ATOM 1875 CB ILE A 121 8.162 -8.205 -2.450 1.00 0.00 C ATOM 1876 CG1 ILE A 121 8.230 -7.022 -3.418 1.00 0.00 C ATOM 1877 CG2 ILE A 121 8.632 -7.790 -1.064 1.00 0.00 C ATOM 1878 CD1 ILE A 121 7.206 -5.947 -3.131 1.00 0.00 C ATOM 0 H ILE A 121 7.630 -9.489 -4.548 1.00 0.00 H new ATOM 0 HA ILE A 121 10.044 -9.041 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 121 7.125 -8.532 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 121 9.227 -6.584 -3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.087 -7.387 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 121 8.021 -6.961 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.537 -8.633 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 121 9.675 -7.477 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.313 -5.140 -3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.204 -6.370 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.362 -5.555 -2.126 1.00 0.00 H new ATOM 1890 N LEU A 122 7.891 -11.303 -2.024 1.00 0.00 N ATOM 1891 CA LEU A 122 7.721 -12.433 -1.117 1.00 0.00 C ATOM 1892 C LEU A 122 8.448 -13.667 -1.643 1.00 0.00 C ATOM 1893 O LEU A 122 7.971 -14.791 -1.491 1.00 0.00 O ATOM 1894 CB LEU A 122 6.235 -12.743 -0.930 1.00 0.00 C ATOM 1895 CG LEU A 122 5.491 -11.876 0.087 1.00 0.00 C ATOM 1896 CD1 LEU A 122 5.348 -10.453 -0.429 1.00 0.00 C ATOM 1897 CD2 LEU A 122 4.126 -12.472 0.398 1.00 0.00 C ATOM 0 H LEU A 122 7.126 -11.176 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 122 8.153 -12.163 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.739 -12.642 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.137 -13.786 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 122 6.073 -11.850 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.816 -9.851 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 122 6.337 -10.027 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 122 4.788 -10.460 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.611 -11.842 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 122 3.537 -12.528 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 122 4.252 -13.473 0.811 1.00 0.00 H new ATOM 1909 N SER A 123 9.605 -13.448 -2.259 1.00 0.00 N ATOM 1910 CA SER A 123 10.397 -14.542 -2.809 1.00 0.00 C ATOM 1911 C SER A 123 11.703 -14.707 -2.038 1.00 0.00 C ATOM 1912 O SER A 123 12.789 -14.582 -2.604 1.00 0.00 O ATOM 1913 CB SER A 123 10.692 -14.293 -4.289 1.00 0.00 C ATOM 1914 OG SER A 123 11.306 -15.423 -4.884 1.00 0.00 O ATOM 0 H SER A 123 10.015 -12.523 -2.390 1.00 0.00 H new ATOM 0 HA SER A 123 9.819 -15.461 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.765 -14.060 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 123 11.343 -13.425 -4.392 1.00 0.00 H new ATOM 0 HG SER A 123 12.143 -15.625 -4.416 1.00 0.00 H new ATOM 1920 N GLN A 124 11.588 -14.989 -0.744 1.00 0.00 N ATOM 1921 CA GLN A 124 12.760 -15.171 0.104 1.00 0.00 C ATOM 1922 C GLN A 124 12.661 -16.469 0.898 1.00 0.00 C ATOM 1923 O GLN A 124 11.585 -16.877 1.337 1.00 0.00 O ATOM 1924 CB GLN A 124 12.912 -13.986 1.060 1.00 0.00 C ATOM 1925 CG GLN A 124 13.197 -12.669 0.356 1.00 0.00 C ATOM 1926 CD GLN A 124 14.628 -12.567 -0.134 1.00 0.00 C ATOM 1927 OE1 GLN A 124 15.563 -12.983 0.552 1.00 0.00 O ATOM 1928 NE2 GLN A 124 14.808 -12.013 -1.328 1.00 0.00 N ATOM 0 H GLN A 124 10.696 -15.096 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 124 13.638 -15.226 -0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.999 -13.884 1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 124 13.720 -14.196 1.760 1.00 0.00 H new ATOM 0 HG2 GLN A 124 12.519 -12.559 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 124 12.991 -11.845 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 124 14.005 -11.682 -1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 124 15.749 -11.919 -1.710 1.00 0.00 H new ATOM 1937 N PRO A 125 13.809 -17.137 1.087 1.00 0.00 N ATOM 1938 CA PRO A 125 13.878 -18.399 1.828 1.00 0.00 C ATOM 1939 C PRO A 125 13.629 -18.210 3.320 1.00 0.00 C ATOM 1940 O PRO A 125 14.535 -17.843 4.068 1.00 0.00 O ATOM 1941 CB PRO A 125 15.311 -18.877 1.582 1.00 0.00 C ATOM 1942 CG PRO A 125 16.082 -17.634 1.297 1.00 0.00 C ATOM 1943 CD PRO A 125 15.129 -16.709 0.592 1.00 0.00 C ATOM 0 HA PRO A 125 13.116 -19.106 1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 125 15.709 -19.399 2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 125 15.358 -19.573 0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 125 16.453 -17.185 2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.951 -17.848 0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.330 -15.665 0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 125 15.203 -16.805 -0.491 1.00 0.00 H new ATOM 1951 N GLU A 126 12.395 -18.462 3.746 1.00 0.00 N ATOM 1952 CA GLU A 126 12.028 -18.318 5.150 1.00 0.00 C ATOM 1953 C GLU A 126 11.898 -19.683 5.821 1.00 0.00 C ATOM 1954 O GLU A 126 11.538 -20.671 5.181 1.00 0.00 O ATOM 1955 CB GLU A 126 10.713 -17.547 5.280 1.00 0.00 C ATOM 1956 CG GLU A 126 10.464 -16.999 6.675 1.00 0.00 C ATOM 1957 CD GLU A 126 9.104 -16.341 6.810 1.00 0.00 C ATOM 1958 OE1 GLU A 126 8.760 -15.511 5.942 1.00 0.00 O ATOM 1959 OE2 GLU A 126 8.386 -16.655 7.781 1.00 0.00 O ATOM 0 H GLU A 126 11.633 -18.767 3.140 1.00 0.00 H new ATOM 0 HA GLU A 126 12.819 -17.760 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 126 10.714 -16.721 4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 126 9.888 -18.204 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 126 10.545 -17.810 7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 126 11.240 -16.274 6.920 1.00 0.00 H new ATOM 1966 N THR A 127 12.194 -19.730 7.116 1.00 0.00 N ATOM 1967 CA THR A 127 12.113 -20.971 7.875 1.00 0.00 C ATOM 1968 C THR A 127 11.544 -20.729 9.268 1.00 0.00 C ATOM 1969 O THR A 127 12.196 -20.124 10.118 1.00 0.00 O ATOM 1970 CB THR A 127 13.494 -21.641 8.006 1.00 0.00 C ATOM 1971 OG1 THR A 127 14.092 -21.787 6.713 1.00 0.00 O ATOM 1972 CG2 THR A 127 13.373 -23.004 8.671 1.00 0.00 C ATOM 0 H THR A 127 12.492 -18.921 7.661 1.00 0.00 H new ATOM 0 HA THR A 127 11.446 -21.634 7.324 1.00 0.00 H new ATOM 0 HB THR A 127 14.124 -21.005 8.628 1.00 0.00 H new ATOM 0 HG1 THR A 127 14.970 -22.212 6.805 1.00 0.00 H new ATOM 0 HG21 THR A 127 14.361 -23.458 8.753 1.00 0.00 H new ATOM 0 HG22 THR A 127 12.944 -22.887 9.666 1.00 0.00 H new ATOM 0 HG23 THR A 127 12.727 -23.645 8.071 1.00 0.00 H new ATOM 1980 N GLY A 128 10.324 -21.205 9.496 1.00 0.00 N ATOM 1981 CA GLY A 128 9.688 -21.030 10.789 1.00 0.00 C ATOM 1982 C GLY A 128 8.380 -20.271 10.693 1.00 0.00 C ATOM 1983 O GLY A 128 7.633 -20.184 11.668 1.00 0.00 O ATOM 0 H GLY A 128 9.764 -21.709 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 128 9.506 -22.007 11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 128 10.366 -20.496 11.455 1.00 0.00 H new TER 1987 GLY A 128