USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 862 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 45 TYR OH : rot 180:sc= -0.0485 USER MOD Set 1.2: A 86 MET CE :methyl 169:sc=-0.00189 (180deg=-0.241) USER MOD Set 1.3: A 88 THR OG1 : rot 56:sc= 1.14 USER MOD Set 1.4: A 93 SER OG : rot 180:sc= -2.6! USER MOD Set 2.1: A 84 SER OG : rot 91:sc= 0.235 USER MOD Set 2.2: A 97 SER OG : rot -91:sc= 0.318 USER MOD Set 3.1: A 76 LYS NZ :NH3+ -116:sc= 0.0373 (180deg=-0.112) USER MOD Set 3.2: A 79 THR OG1 : rot 71:sc= 0.435 USER MOD Set 4.1: A 67 THR OG1 : rot 180:sc= -0.822! USER MOD Set 4.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 21 SER OG : rot 180:sc= -1.15 USER MOD Set 5.2: A 24 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0176 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.566 USER MOD Single : A 3 SER OG : rot 110:sc= -0.239 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -155:sc= -0.0622 (180deg=-0.486) USER MOD Single : A 10 MET CE :methyl -114:sc= -0.281 (180deg=-0.925) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -10.1! C(o=-12!,f=-10!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.198 F(o=-1,f=-0.2) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc=-0.00776 (180deg=-0.482) USER MOD Single : A 37 HIS : no HD1:sc= -4.44! C(o=-4.4!,f=-5.8!) USER MOD Single : A 38 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.071) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 51:sc= 0.472 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 0.0737 (180deg=0.0733) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.311 USER MOD Single : A 53 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.33) USER MOD Single : A 57 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.067) USER MOD Single : A 64 ASN : amide:sc= -0.75 K(o=-0.75,f=-5!) USER MOD Single : A 66 THR OG1 : rot 6:sc= 1.04 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0295 K(o=-0.03,f=-1.4) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.121) USER MOD Single : A 94 SER OG : rot 80:sc= -2.88! USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0595 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.571 F(o=-1.5,f=-0.57) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 178:sc= 0.0905 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.814 -8.135 12.989 1.00 0.00 N ATOM 2 CA GLY A 1 2.591 -8.748 14.051 1.00 0.00 C ATOM 3 C GLY A 1 3.467 -7.748 14.779 1.00 0.00 C ATOM 4 O GLY A 1 3.946 -6.782 14.184 1.00 0.00 O ATOM 0 H1 GLY A 1 1.820 -8.753 12.153 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.835 -7.997 13.310 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.230 -7.214 12.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.916 -9.222 14.764 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.216 -9.536 13.631 1.00 0.00 H new ATOM 8 N SER A 2 3.677 -7.978 16.071 1.00 0.00 N ATOM 9 CA SER A 2 4.497 -7.087 16.884 1.00 0.00 C ATOM 10 C SER A 2 5.829 -7.743 17.234 1.00 0.00 C ATOM 11 O SER A 2 5.916 -8.533 18.175 1.00 0.00 O ATOM 12 CB SER A 2 3.753 -6.700 18.164 1.00 0.00 C ATOM 13 OG SER A 2 3.342 -7.851 18.881 1.00 0.00 O ATOM 0 H SER A 2 3.290 -8.774 16.578 1.00 0.00 H new ATOM 0 HA SER A 2 4.697 -6.187 16.303 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.399 -6.087 18.793 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.883 -6.093 17.914 1.00 0.00 H new ATOM 0 HG SER A 2 4.078 -8.497 18.912 1.00 0.00 H new ATOM 19 N SER A 3 6.865 -7.411 16.471 1.00 0.00 N ATOM 20 CA SER A 3 8.192 -7.970 16.697 1.00 0.00 C ATOM 21 C SER A 3 8.570 -7.891 18.173 1.00 0.00 C ATOM 22 O SER A 3 8.997 -8.878 18.770 1.00 0.00 O ATOM 23 CB SER A 3 9.231 -7.230 15.852 1.00 0.00 C ATOM 24 OG SER A 3 9.288 -7.756 14.538 1.00 0.00 O ATOM 0 H SER A 3 6.811 -6.757 15.690 1.00 0.00 H new ATOM 0 HA SER A 3 8.173 -9.019 16.400 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.983 -6.169 15.812 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.211 -7.311 16.322 1.00 0.00 H new ATOM 0 HG SER A 3 8.916 -7.104 13.908 1.00 0.00 H new ATOM 30 N GLY A 4 8.410 -6.707 18.756 1.00 0.00 N ATOM 31 CA GLY A 4 8.739 -6.519 20.157 1.00 0.00 C ATOM 32 C GLY A 4 10.116 -5.917 20.354 1.00 0.00 C ATOM 33 O GLY A 4 10.244 -4.762 20.760 1.00 0.00 O ATOM 0 H GLY A 4 8.058 -5.874 18.283 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.993 -5.871 20.618 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.689 -7.479 20.671 1.00 0.00 H new ATOM 37 N SER A 5 11.150 -6.702 20.067 1.00 0.00 N ATOM 38 CA SER A 5 12.525 -6.241 20.220 1.00 0.00 C ATOM 39 C SER A 5 13.111 -5.823 18.875 1.00 0.00 C ATOM 40 O SER A 5 12.666 -6.282 17.822 1.00 0.00 O ATOM 41 CB SER A 5 13.387 -7.340 20.845 1.00 0.00 C ATOM 42 OG SER A 5 14.699 -6.873 21.104 1.00 0.00 O ATOM 0 H SER A 5 11.061 -7.660 19.727 1.00 0.00 H new ATOM 0 HA SER A 5 12.520 -5.373 20.880 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.929 -7.682 21.773 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.429 -8.199 20.175 1.00 0.00 H new ATOM 0 HG SER A 5 15.229 -7.593 21.505 1.00 0.00 H new ATOM 48 N SER A 6 14.111 -4.949 18.918 1.00 0.00 N ATOM 49 CA SER A 6 14.756 -4.465 17.703 1.00 0.00 C ATOM 50 C SER A 6 15.027 -5.614 16.737 1.00 0.00 C ATOM 51 O SER A 6 15.395 -6.713 17.150 1.00 0.00 O ATOM 52 CB SER A 6 16.066 -3.752 18.045 1.00 0.00 C ATOM 53 OG SER A 6 15.826 -2.422 18.472 1.00 0.00 O ATOM 0 H SER A 6 14.492 -4.561 19.781 1.00 0.00 H new ATOM 0 HA SER A 6 14.081 -3.758 17.220 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.588 -4.300 18.829 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.719 -3.745 17.172 1.00 0.00 H new ATOM 0 HG SER A 6 16.678 -1.988 18.686 1.00 0.00 H new ATOM 59 N GLY A 7 14.842 -5.351 15.447 1.00 0.00 N ATOM 60 CA GLY A 7 15.070 -6.372 14.441 1.00 0.00 C ATOM 61 C GLY A 7 14.703 -5.905 13.047 1.00 0.00 C ATOM 62 O GLY A 7 15.464 -5.198 12.386 1.00 0.00 O ATOM 0 H GLY A 7 14.538 -4.449 15.081 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.119 -6.666 14.458 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.487 -7.259 14.689 1.00 0.00 H new ATOM 66 N PRO A 8 13.511 -6.305 12.579 1.00 0.00 N ATOM 67 CA PRO A 8 13.019 -5.935 11.249 1.00 0.00 C ATOM 68 C PRO A 8 12.670 -4.453 11.151 1.00 0.00 C ATOM 69 O PRO A 8 12.020 -3.900 12.038 1.00 0.00 O ATOM 70 CB PRO A 8 11.761 -6.792 11.085 1.00 0.00 C ATOM 71 CG PRO A 8 11.306 -7.066 12.477 1.00 0.00 C ATOM 72 CD PRO A 8 12.553 -7.149 13.312 1.00 0.00 C ATOM 0 HA PRO A 8 13.769 -6.102 10.476 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.995 -6.266 10.514 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.979 -7.717 10.550 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.648 -6.274 12.835 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.741 -7.997 12.527 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.384 -6.780 14.324 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.909 -8.175 13.402 1.00 0.00 H new ATOM 80 N MET A 9 13.104 -3.818 10.068 1.00 0.00 N ATOM 81 CA MET A 9 12.836 -2.401 9.855 1.00 0.00 C ATOM 82 C MET A 9 11.390 -2.063 10.204 1.00 0.00 C ATOM 83 O MET A 9 10.504 -2.912 10.110 1.00 0.00 O ATOM 84 CB MET A 9 13.124 -2.018 8.402 1.00 0.00 C ATOM 85 CG MET A 9 14.556 -1.565 8.165 1.00 0.00 C ATOM 86 SD MET A 9 14.785 0.198 8.471 1.00 0.00 S ATOM 87 CE MET A 9 13.922 0.900 7.067 1.00 0.00 C ATOM 0 H MET A 9 13.643 -4.262 9.324 1.00 0.00 H new ATOM 0 HA MET A 9 13.493 -1.830 10.511 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.911 -2.873 7.760 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.445 -1.219 8.104 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.225 -2.132 8.813 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.840 -1.792 7.137 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.322 1.891 6.853 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.059 0.258 6.197 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.859 0.979 7.296 1.00 0.00 H new ATOM 97 N MET A 10 11.159 -0.818 10.608 1.00 0.00 N ATOM 98 CA MET A 10 9.820 -0.369 10.971 1.00 0.00 C ATOM 99 C MET A 10 9.046 0.087 9.738 1.00 0.00 C ATOM 100 O MET A 10 9.461 0.993 9.015 1.00 0.00 O ATOM 101 CB MET A 10 9.899 0.772 11.988 1.00 0.00 C ATOM 102 CG MET A 10 10.470 0.350 13.332 1.00 0.00 C ATOM 103 SD MET A 10 12.264 0.510 13.406 1.00 0.00 S ATOM 104 CE MET A 10 12.748 -1.200 13.624 1.00 0.00 C ATOM 0 H MET A 10 11.881 -0.103 10.692 1.00 0.00 H new ATOM 0 HA MET A 10 9.292 -1.210 11.420 1.00 0.00 H new ATOM 0 HB2 MET A 10 10.514 1.573 11.577 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.901 1.183 12.139 1.00 0.00 H new ATOM 0 HG2 MET A 10 10.022 0.957 14.119 1.00 0.00 H new ATOM 0 HG3 MET A 10 10.193 -0.685 13.531 1.00 0.00 H new ATOM 0 HE1 MET A 10 13.200 -1.328 14.608 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.869 -1.840 13.543 1.00 0.00 H new ATOM 0 HE3 MET A 10 13.469 -1.475 12.855 1.00 0.00 H new ATOM 114 N PRO A 11 7.895 -0.556 9.489 1.00 0.00 N ATOM 115 CA PRO A 11 7.040 -0.233 8.343 1.00 0.00 C ATOM 116 C PRO A 11 6.364 1.126 8.489 1.00 0.00 C ATOM 117 O PRO A 11 6.398 1.753 9.548 1.00 0.00 O ATOM 118 CB PRO A 11 5.997 -1.353 8.352 1.00 0.00 C ATOM 119 CG PRO A 11 5.946 -1.811 9.769 1.00 0.00 C ATOM 120 CD PRO A 11 7.340 -1.646 10.308 1.00 0.00 C ATOM 0 HA PRO A 11 7.609 -0.169 7.415 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.025 -0.991 8.018 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.282 -2.165 7.683 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.233 -1.221 10.344 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.624 -2.850 9.832 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.334 -1.390 11.367 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.922 -2.562 10.205 1.00 0.00 H new ATOM 128 N PRO A 12 5.734 1.594 7.401 1.00 0.00 N ATOM 129 CA PRO A 12 5.037 2.883 7.384 1.00 0.00 C ATOM 130 C PRO A 12 3.770 2.869 8.232 1.00 0.00 C ATOM 131 O PRO A 12 3.344 1.818 8.712 1.00 0.00 O ATOM 132 CB PRO A 12 4.689 3.078 5.906 1.00 0.00 C ATOM 133 CG PRO A 12 4.630 1.699 5.345 1.00 0.00 C ATOM 134 CD PRO A 12 5.653 0.900 6.105 1.00 0.00 C ATOM 0 HA PRO A 12 5.649 3.683 7.802 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.736 3.594 5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.442 3.680 5.398 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.634 1.272 5.463 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.851 1.702 4.278 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.344 -0.139 6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.616 0.890 5.594 1.00 0.00 H new ATOM 142 N VAL A 13 3.171 4.041 8.413 1.00 0.00 N ATOM 143 CA VAL A 13 1.951 4.163 9.202 1.00 0.00 C ATOM 144 C VAL A 13 0.934 5.062 8.508 1.00 0.00 C ATOM 145 O VAL A 13 1.182 5.567 7.414 1.00 0.00 O ATOM 146 CB VAL A 13 2.244 4.727 10.605 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.041 3.725 11.427 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.983 6.053 10.503 1.00 0.00 C ATOM 0 H VAL A 13 3.511 4.920 8.024 1.00 0.00 H new ATOM 0 HA VAL A 13 1.537 3.160 9.300 1.00 0.00 H new ATOM 0 HB VAL A 13 1.295 4.904 11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.239 4.140 12.415 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.470 2.802 11.529 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.986 3.514 10.927 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.182 6.437 11.504 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.926 5.904 9.977 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.371 6.769 9.955 1.00 0.00 H new ATOM 158 N GLY A 14 -0.213 5.258 9.152 1.00 0.00 N ATOM 159 CA GLY A 14 -1.250 6.097 8.581 1.00 0.00 C ATOM 160 C GLY A 14 -1.698 5.616 7.215 1.00 0.00 C ATOM 161 O GLY A 14 -2.308 6.368 6.454 1.00 0.00 O ATOM 0 H GLY A 14 -0.442 4.851 10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.107 6.119 9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.882 7.120 8.500 1.00 0.00 H new ATOM 165 N VAL A 15 -1.394 4.360 6.902 1.00 0.00 N ATOM 166 CA VAL A 15 -1.769 3.781 5.618 1.00 0.00 C ATOM 167 C VAL A 15 -3.283 3.779 5.437 1.00 0.00 C ATOM 168 O VAL A 15 -3.990 2.979 6.048 1.00 0.00 O ATOM 169 CB VAL A 15 -1.246 2.339 5.479 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.665 1.745 4.143 1.00 0.00 C ATOM 171 CG2 VAL A 15 0.267 2.305 5.635 1.00 0.00 C ATOM 0 H VAL A 15 -0.889 3.725 7.520 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.314 4.402 4.846 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.685 1.734 6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.286 0.726 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.753 1.734 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.257 2.348 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.620 1.279 5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.726 2.924 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.540 2.688 6.618 1.00 0.00 H new ATOM 181 N GLN A 16 -3.773 4.681 4.592 1.00 0.00 N ATOM 182 CA GLN A 16 -5.204 4.784 4.330 1.00 0.00 C ATOM 183 C GLN A 16 -5.486 4.766 2.832 1.00 0.00 C ATOM 184 O GLN A 16 -4.625 5.114 2.024 1.00 0.00 O ATOM 185 CB GLN A 16 -5.767 6.063 4.952 1.00 0.00 C ATOM 186 CG GLN A 16 -7.285 6.084 5.032 1.00 0.00 C ATOM 187 CD GLN A 16 -7.824 7.403 5.547 1.00 0.00 C ATOM 188 OE1 GLN A 16 -8.600 8.077 4.869 1.00 0.00 O ATOM 189 NE2 GLN A 16 -7.415 7.780 6.753 1.00 0.00 N ATOM 0 H GLN A 16 -3.201 5.350 4.078 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.694 3.922 4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.357 6.180 5.955 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.430 6.920 4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.700 5.888 4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.622 5.279 5.685 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.771 7.190 7.281 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.745 8.659 7.152 1.00 0.00 H new ATOM 198 N ALA A 17 -6.696 4.357 2.467 1.00 0.00 N ATOM 199 CA ALA A 17 -7.092 4.296 1.066 1.00 0.00 C ATOM 200 C ALA A 17 -8.385 5.068 0.826 1.00 0.00 C ATOM 201 O ALA A 17 -9.418 4.770 1.426 1.00 0.00 O ATOM 202 CB ALA A 17 -7.250 2.848 0.625 1.00 0.00 C ATOM 0 H ALA A 17 -7.420 4.063 3.123 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.306 4.762 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.546 2.817 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.302 2.324 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.015 2.364 1.232 1.00 0.00 H new ATOM 208 N SER A 18 -8.321 6.061 -0.056 1.00 0.00 N ATOM 209 CA SER A 18 -9.487 6.878 -0.371 1.00 0.00 C ATOM 210 C SER A 18 -10.121 6.435 -1.686 1.00 0.00 C ATOM 211 O SER A 18 -9.422 6.115 -2.648 1.00 0.00 O ATOM 212 CB SER A 18 -9.093 8.354 -0.454 1.00 0.00 C ATOM 213 OG SER A 18 -10.183 9.193 -0.113 1.00 0.00 O ATOM 0 H SER A 18 -7.475 6.319 -0.564 1.00 0.00 H new ATOM 0 HA SER A 18 -10.218 6.748 0.427 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.256 8.549 0.217 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.753 8.587 -1.463 1.00 0.00 H new ATOM 0 HG SER A 18 -9.905 10.131 -0.172 1.00 0.00 H new ATOM 219 N ILE A 19 -11.449 6.419 -1.719 1.00 0.00 N ATOM 220 CA ILE A 19 -12.179 6.017 -2.915 1.00 0.00 C ATOM 221 C ILE A 19 -12.358 7.191 -3.871 1.00 0.00 C ATOM 222 O ILE A 19 -13.192 8.070 -3.643 1.00 0.00 O ATOM 223 CB ILE A 19 -13.563 5.440 -2.563 1.00 0.00 C ATOM 224 CG1 ILE A 19 -13.435 4.385 -1.462 1.00 0.00 C ATOM 225 CG2 ILE A 19 -14.219 4.845 -3.800 1.00 0.00 C ATOM 226 CD1 ILE A 19 -12.480 3.264 -1.807 1.00 0.00 C ATOM 0 H ILE A 19 -12.042 6.680 -0.931 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.585 5.243 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.194 6.249 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.099 4.868 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -14.419 3.963 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -15.196 4.441 -3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.340 5.620 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.592 4.046 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.439 2.554 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.826 2.755 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.485 3.674 -1.982 1.00 0.00 H new ATOM 238 N LEU A 20 -11.573 7.200 -4.942 1.00 0.00 N ATOM 239 CA LEU A 20 -11.646 8.266 -5.935 1.00 0.00 C ATOM 240 C LEU A 20 -12.457 7.825 -7.149 1.00 0.00 C ATOM 241 O LEU A 20 -13.164 8.626 -7.760 1.00 0.00 O ATOM 242 CB LEU A 20 -10.239 8.681 -6.371 1.00 0.00 C ATOM 243 CG LEU A 20 -9.371 9.340 -5.298 1.00 0.00 C ATOM 244 CD1 LEU A 20 -8.962 8.323 -4.244 1.00 0.00 C ATOM 245 CD2 LEU A 20 -8.143 9.982 -5.927 1.00 0.00 C ATOM 0 H LEU A 20 -10.878 6.481 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.145 9.120 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.718 7.797 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.329 9.370 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.956 10.121 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.345 8.810 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.853 7.909 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.394 7.520 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.537 10.446 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.556 9.220 -6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.456 10.741 -6.644 1.00 0.00 H new ATOM 257 N SER A 21 -12.352 6.545 -7.491 1.00 0.00 N ATOM 258 CA SER A 21 -13.075 5.997 -8.633 1.00 0.00 C ATOM 259 C SER A 21 -13.210 4.482 -8.514 1.00 0.00 C ATOM 260 O SER A 21 -12.597 3.858 -7.647 1.00 0.00 O ATOM 261 CB SER A 21 -12.359 6.355 -9.937 1.00 0.00 C ATOM 262 OG SER A 21 -11.771 7.642 -9.858 1.00 0.00 O ATOM 0 H SER A 21 -11.773 5.868 -6.994 1.00 0.00 H new ATOM 0 HA SER A 21 -14.073 6.434 -8.643 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.590 5.612 -10.149 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.067 6.325 -10.765 1.00 0.00 H new ATOM 0 HG SER A 21 -11.318 7.847 -10.703 1.00 0.00 H new ATOM 268 N HIS A 22 -14.019 3.896 -9.391 1.00 0.00 N ATOM 269 CA HIS A 22 -14.236 2.454 -9.385 1.00 0.00 C ATOM 270 C HIS A 22 -12.908 1.704 -9.433 1.00 0.00 C ATOM 271 O HIS A 22 -12.783 0.609 -8.886 1.00 0.00 O ATOM 272 CB HIS A 22 -15.110 2.043 -10.572 1.00 0.00 C ATOM 273 CG HIS A 22 -14.469 2.295 -11.902 1.00 0.00 C ATOM 274 ND1 HIS A 22 -13.779 1.469 -12.723 1.00 0.00 N flip ATOM 275 CD2 HIS A 22 -14.497 3.522 -12.531 1.00 0.00 C flip ATOM 276 CE1 HIS A 22 -13.408 2.203 -13.822 1.00 0.00 C flip ATOM 277 NE2 HIS A 22 -13.854 3.439 -13.682 1.00 0.00 N flip ATOM 0 H HIS A 22 -14.535 4.397 -10.114 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.748 2.193 -8.459 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.348 0.983 -10.488 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.054 2.587 -10.524 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.971 4.412 -12.143 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.843 1.831 -14.664 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.724 4.200 -14.349 1.00 0.00 H new ATOM 286 N ASP A 23 -11.921 2.302 -10.091 1.00 0.00 N ATOM 287 CA ASP A 23 -10.602 1.691 -10.210 1.00 0.00 C ATOM 288 C ASP A 23 -9.510 2.672 -9.795 1.00 0.00 C ATOM 289 O ASP A 23 -8.344 2.509 -10.156 1.00 0.00 O ATOM 290 CB ASP A 23 -10.362 1.220 -11.645 1.00 0.00 C ATOM 291 CG ASP A 23 -10.060 2.367 -12.589 1.00 0.00 C ATOM 292 OD1 ASP A 23 -10.524 3.494 -12.319 1.00 0.00 O ATOM 293 OD2 ASP A 23 -9.359 2.138 -13.597 1.00 0.00 O ATOM 0 H ASP A 23 -12.009 3.209 -10.550 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.566 0.830 -9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.531 0.514 -11.658 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.242 0.683 -12.000 1.00 0.00 H new ATOM 298 N THR A 24 -9.895 3.691 -9.033 1.00 0.00 N ATOM 299 CA THR A 24 -8.950 4.699 -8.571 1.00 0.00 C ATOM 300 C THR A 24 -9.001 4.847 -7.054 1.00 0.00 C ATOM 301 O THR A 24 -10.071 5.043 -6.477 1.00 0.00 O ATOM 302 CB THR A 24 -9.228 6.069 -9.218 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.410 5.916 -10.630 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.084 7.036 -8.951 1.00 0.00 C ATOM 0 H THR A 24 -10.855 3.840 -8.723 1.00 0.00 H new ATOM 0 HA THR A 24 -7.957 4.360 -8.867 1.00 0.00 H new ATOM 0 HB THR A 24 -10.138 6.476 -8.777 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.588 6.791 -11.034 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.303 7.996 -9.418 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.967 7.173 -7.876 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.161 6.632 -9.368 1.00 0.00 H new ATOM 312 N ILE A 25 -7.840 4.751 -6.415 1.00 0.00 N ATOM 313 CA ILE A 25 -7.754 4.875 -4.966 1.00 0.00 C ATOM 314 C ILE A 25 -6.427 5.497 -4.545 1.00 0.00 C ATOM 315 O ILE A 25 -5.363 5.085 -5.006 1.00 0.00 O ATOM 316 CB ILE A 25 -7.910 3.509 -4.273 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.285 2.911 -4.580 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.711 3.650 -2.771 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.444 1.485 -4.100 1.00 0.00 C ATOM 0 H ILE A 25 -6.946 4.588 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.572 5.525 -4.657 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.146 2.834 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.053 3.530 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.455 2.945 -5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.825 2.676 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.712 4.037 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.454 4.339 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.442 1.126 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.699 0.853 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.306 1.447 -3.019 1.00 0.00 H new ATOM 331 N ARG A 26 -6.498 6.491 -3.665 1.00 0.00 N ATOM 332 CA ARG A 26 -5.302 7.170 -3.182 1.00 0.00 C ATOM 333 C ARG A 26 -4.734 6.463 -1.954 1.00 0.00 C ATOM 334 O ARG A 26 -5.455 6.192 -0.994 1.00 0.00 O ATOM 335 CB ARG A 26 -5.619 8.628 -2.842 1.00 0.00 C ATOM 336 CG ARG A 26 -4.397 9.531 -2.835 1.00 0.00 C ATOM 337 CD ARG A 26 -4.785 10.992 -2.672 1.00 0.00 C ATOM 338 NE ARG A 26 -5.311 11.560 -3.911 1.00 0.00 N ATOM 339 CZ ARG A 26 -5.780 12.799 -4.010 1.00 0.00 C ATOM 340 NH1 ARG A 26 -5.788 13.595 -2.950 1.00 0.00 N ATOM 341 NH2 ARG A 26 -6.242 13.243 -5.172 1.00 0.00 N ATOM 0 H ARG A 26 -7.371 6.844 -3.272 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.554 7.143 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.340 9.012 -3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.096 8.668 -1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.731 9.238 -2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.843 9.402 -3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.534 11.083 -1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.915 11.565 -2.351 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.319 10.973 -4.745 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.433 13.257 -2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.149 14.546 -3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.237 12.633 -5.989 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.602 14.194 -5.248 1.00 0.00 H new ATOM 355 N ILE A 27 -3.439 6.167 -1.995 1.00 0.00 N ATOM 356 CA ILE A 27 -2.775 5.492 -0.887 1.00 0.00 C ATOM 357 C ILE A 27 -1.654 6.351 -0.312 1.00 0.00 C ATOM 358 O ILE A 27 -0.595 6.499 -0.923 1.00 0.00 O ATOM 359 CB ILE A 27 -2.195 4.133 -1.321 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.232 3.344 -2.123 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.740 3.339 -0.106 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.491 3.034 -1.343 1.00 0.00 C ATOM 0 H ILE A 27 -2.829 6.384 -2.783 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.532 5.326 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.329 4.311 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.497 3.911 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.784 2.409 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.333 2.381 -0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.972 3.899 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.589 3.167 0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.181 2.473 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.238 2.440 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.962 3.965 -1.028 1.00 0.00 H new ATOM 374 N THR A 28 -1.892 6.914 0.868 1.00 0.00 N ATOM 375 CA THR A 28 -0.903 7.758 1.526 1.00 0.00 C ATOM 376 C THR A 28 -0.516 7.192 2.888 1.00 0.00 C ATOM 377 O THR A 28 -1.355 6.645 3.604 1.00 0.00 O ATOM 378 CB THR A 28 -1.424 9.196 1.710 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.606 9.189 2.518 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.727 9.837 0.364 1.00 0.00 C ATOM 0 H THR A 28 -2.762 6.801 1.388 1.00 0.00 H new ATOM 0 HA THR A 28 -0.025 7.777 0.880 1.00 0.00 H new ATOM 0 HB THR A 28 -0.649 9.780 2.207 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.930 10.107 2.632 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.093 10.852 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.818 9.867 -0.237 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.486 9.252 -0.155 1.00 0.00 H new ATOM 388 N TRP A 29 0.757 7.327 3.239 1.00 0.00 N ATOM 389 CA TRP A 29 1.255 6.829 4.517 1.00 0.00 C ATOM 390 C TRP A 29 2.308 7.768 5.094 1.00 0.00 C ATOM 391 O TRP A 29 2.664 8.771 4.477 1.00 0.00 O ATOM 392 CB TRP A 29 1.841 5.427 4.347 1.00 0.00 C ATOM 393 CG TRP A 29 2.968 5.370 3.361 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.297 5.543 3.623 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.863 5.124 1.954 1.00 0.00 C ATOM 396 NE1 TRP A 29 5.025 5.420 2.464 1.00 0.00 N ATOM 397 CE2 TRP A 29 4.169 5.162 1.427 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.795 4.873 1.089 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.431 4.960 0.074 1.00 0.00 C ATOM 400 CZ3 TRP A 29 2.057 4.674 -0.253 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.366 4.717 -0.750 1.00 0.00 C ATOM 0 H TRP A 29 1.464 7.777 2.657 1.00 0.00 H new ATOM 0 HA TRP A 29 0.417 6.783 5.213 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.195 5.069 5.314 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.052 4.748 4.025 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.715 5.747 4.598 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.038 5.507 2.389 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.782 4.835 1.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.439 4.994 -0.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.238 4.482 -0.931 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.538 4.555 -1.804 1.00 0.00 H new ATOM 412 N ALA A 30 2.803 7.436 6.282 1.00 0.00 N ATOM 413 CA ALA A 30 3.818 8.249 6.941 1.00 0.00 C ATOM 414 C ALA A 30 5.005 7.397 7.379 1.00 0.00 C ATOM 415 O ALA A 30 5.018 6.183 7.177 1.00 0.00 O ATOM 416 CB ALA A 30 3.218 8.976 8.135 1.00 0.00 C ATOM 0 H ALA A 30 2.518 6.610 6.808 1.00 0.00 H new ATOM 0 HA ALA A 30 4.179 8.987 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.987 9.579 8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.408 9.623 7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.829 8.248 8.846 1.00 0.00 H new ATOM 422 N ASP A 31 6.000 8.041 7.978 1.00 0.00 N ATOM 423 CA ASP A 31 7.192 7.342 8.445 1.00 0.00 C ATOM 424 C ASP A 31 7.691 7.937 9.758 1.00 0.00 C ATOM 425 O ASP A 31 7.990 9.128 9.837 1.00 0.00 O ATOM 426 CB ASP A 31 8.295 7.410 7.388 1.00 0.00 C ATOM 427 CG ASP A 31 9.574 6.735 7.842 1.00 0.00 C ATOM 428 OD1 ASP A 31 10.408 7.411 8.479 1.00 0.00 O ATOM 429 OD2 ASP A 31 9.742 5.529 7.560 1.00 0.00 O ATOM 0 H ASP A 31 6.005 9.046 8.152 1.00 0.00 H new ATOM 0 HA ASP A 31 6.928 6.299 8.617 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.944 6.938 6.470 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.503 8.453 7.150 1.00 0.00 H new ATOM 434 N ASN A 32 7.777 7.099 10.786 1.00 0.00 N ATOM 435 CA ASN A 32 8.239 7.542 12.096 1.00 0.00 C ATOM 436 C ASN A 32 9.756 7.705 12.113 1.00 0.00 C ATOM 437 O ASN A 32 10.281 8.675 12.659 1.00 0.00 O ATOM 438 CB ASN A 32 7.809 6.546 13.175 1.00 0.00 C ATOM 439 CG ASN A 32 6.454 5.929 12.886 1.00 0.00 C ATOM 440 OD1 ASN A 32 5.404 6.734 12.992 1.00 0.00 O flip ATOM 441 ND2 ASN A 32 6.354 4.743 12.572 1.00 0.00 N flip ATOM 0 H ASN A 32 7.533 6.110 10.737 1.00 0.00 H new ATOM 0 HA ASN A 32 7.786 8.511 12.304 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.555 5.756 13.254 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.776 7.052 14.140 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.189 4.162 12.503 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.436 4.342 12.381 1.00 0.00 H new ATOM 448 N SER A 33 10.454 6.748 11.510 1.00 0.00 N ATOM 449 CA SER A 33 11.911 6.783 11.457 1.00 0.00 C ATOM 450 C SER A 33 12.412 8.203 11.214 1.00 0.00 C ATOM 451 O SER A 33 13.435 8.616 11.762 1.00 0.00 O ATOM 452 CB SER A 33 12.425 5.853 10.357 1.00 0.00 C ATOM 453 OG SER A 33 13.831 5.959 10.216 1.00 0.00 O ATOM 0 H SER A 33 10.034 5.939 11.051 1.00 0.00 H new ATOM 0 HA SER A 33 12.293 6.442 12.419 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.156 4.823 10.592 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.942 6.101 9.412 1.00 0.00 H new ATOM 0 HG SER A 33 14.135 5.354 9.508 1.00 0.00 H new ATOM 459 N LEU A 34 11.684 8.947 10.388 1.00 0.00 N ATOM 460 CA LEU A 34 12.054 10.322 10.070 1.00 0.00 C ATOM 461 C LEU A 34 11.677 11.264 11.209 1.00 0.00 C ATOM 462 O LEU A 34 10.693 11.057 11.919 1.00 0.00 O ATOM 463 CB LEU A 34 11.370 10.769 8.777 1.00 0.00 C ATOM 464 CG LEU A 34 11.760 10.003 7.512 1.00 0.00 C ATOM 465 CD1 LEU A 34 10.726 10.217 6.418 1.00 0.00 C ATOM 466 CD2 LEU A 34 13.141 10.431 7.035 1.00 0.00 C ATOM 0 H LEU A 34 10.835 8.621 9.927 1.00 0.00 H new ATOM 0 HA LEU A 34 13.135 10.359 9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.292 10.683 8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.589 11.825 8.620 1.00 0.00 H new ATOM 0 HG LEU A 34 11.792 8.940 7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.021 9.664 5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.754 9.861 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.661 11.279 6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.403 9.876 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.135 11.499 6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.875 10.225 7.814 1.00 0.00 H new ATOM 478 N PRO A 35 12.477 12.326 11.388 1.00 0.00 N ATOM 479 CA PRO A 35 12.246 13.323 12.438 1.00 0.00 C ATOM 480 C PRO A 35 11.011 14.175 12.167 1.00 0.00 C ATOM 481 O PRO A 35 10.313 13.977 11.172 1.00 0.00 O ATOM 482 CB PRO A 35 13.510 14.184 12.393 1.00 0.00 C ATOM 483 CG PRO A 35 14.022 14.035 11.002 1.00 0.00 C ATOM 484 CD PRO A 35 13.667 12.636 10.579 1.00 0.00 C ATOM 0 HA PRO A 35 12.064 12.859 13.407 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.287 15.226 12.623 1.00 0.00 H new ATOM 0 HB3 PRO A 35 14.245 13.846 13.124 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.568 14.771 10.338 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.100 14.193 10.964 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.453 12.581 9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.480 11.938 10.777 1.00 0.00 H new ATOM 492 N LYS A 36 10.745 15.125 13.057 1.00 0.00 N ATOM 493 CA LYS A 36 9.595 16.009 12.914 1.00 0.00 C ATOM 494 C LYS A 36 9.378 16.387 11.452 1.00 0.00 C ATOM 495 O LYS A 36 8.242 16.518 10.997 1.00 0.00 O ATOM 496 CB LYS A 36 9.790 17.273 13.755 1.00 0.00 C ATOM 497 CG LYS A 36 9.556 17.058 15.240 1.00 0.00 C ATOM 498 CD LYS A 36 9.078 18.330 15.919 1.00 0.00 C ATOM 499 CE LYS A 36 10.233 19.278 16.204 1.00 0.00 C ATOM 500 NZ LYS A 36 10.551 20.133 15.027 1.00 0.00 N ATOM 0 H LYS A 36 11.312 15.302 13.886 1.00 0.00 H new ATOM 0 HA LYS A 36 8.712 15.477 13.268 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.803 17.646 13.606 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.110 18.046 13.397 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.818 16.269 15.382 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.479 16.719 15.709 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.345 18.829 15.285 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.574 18.078 16.852 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.982 19.911 17.055 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.115 18.702 16.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.993 21.018 15.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.207 19.628 14.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.675 20.352 14.510 1.00 0.00 H new ATOM 514 N HIS A 37 10.475 16.558 10.721 1.00 0.00 N ATOM 515 CA HIS A 37 10.404 16.919 9.309 1.00 0.00 C ATOM 516 C HIS A 37 10.519 15.680 8.426 1.00 0.00 C ATOM 517 O HIS A 37 11.593 15.092 8.303 1.00 0.00 O ATOM 518 CB HIS A 37 11.511 17.914 8.959 1.00 0.00 C ATOM 519 CG HIS A 37 12.886 17.325 9.018 1.00 0.00 C ATOM 520 ND1 HIS A 37 13.562 16.876 7.903 1.00 0.00 N ATOM 521 CD2 HIS A 37 13.714 17.114 10.068 1.00 0.00 C ATOM 522 CE1 HIS A 37 14.745 16.413 8.265 1.00 0.00 C ATOM 523 NE2 HIS A 37 14.863 16.547 9.574 1.00 0.00 N ATOM 0 H HIS A 37 11.423 16.453 11.082 1.00 0.00 H new ATOM 0 HA HIS A 37 9.436 17.386 9.126 1.00 0.00 H new ATOM 0 HB2 HIS A 37 11.334 18.304 7.956 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.457 18.760 9.644 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.509 17.348 11.102 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.489 15.996 7.603 1.00 0.00 H new ATOM 0 HE2 HIS A 37 15.675 16.274 10.127 1.00 0.00 H new ATOM 532 N GLN A 38 9.405 15.290 7.814 1.00 0.00 N ATOM 533 CA GLN A 38 9.382 14.120 6.944 1.00 0.00 C ATOM 534 C GLN A 38 10.144 14.389 5.651 1.00 0.00 C ATOM 535 O GLN A 38 9.590 14.923 4.690 1.00 0.00 O ATOM 536 CB GLN A 38 7.940 13.723 6.627 1.00 0.00 C ATOM 537 CG GLN A 38 7.069 13.556 7.861 1.00 0.00 C ATOM 538 CD GLN A 38 5.998 12.498 7.681 1.00 0.00 C ATOM 539 OE1 GLN A 38 4.816 12.747 7.923 1.00 0.00 O ATOM 540 NE2 GLN A 38 6.406 11.308 7.255 1.00 0.00 N ATOM 0 H GLN A 38 8.508 15.767 7.905 1.00 0.00 H new ATOM 0 HA GLN A 38 9.871 13.299 7.468 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.497 14.480 5.980 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.944 12.788 6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.697 13.290 8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.596 14.509 8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.395 11.145 7.067 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.730 10.557 7.116 1.00 0.00 H new ATOM 549 N LYS A 39 11.419 14.015 5.633 1.00 0.00 N ATOM 550 CA LYS A 39 12.259 14.214 4.457 1.00 0.00 C ATOM 551 C LYS A 39 13.110 12.978 4.181 1.00 0.00 C ATOM 552 O LYS A 39 14.021 12.658 4.944 1.00 0.00 O ATOM 553 CB LYS A 39 13.162 15.435 4.651 1.00 0.00 C ATOM 554 CG LYS A 39 13.814 15.919 3.367 1.00 0.00 C ATOM 555 CD LYS A 39 14.661 17.158 3.605 1.00 0.00 C ATOM 556 CE LYS A 39 15.331 17.629 2.324 1.00 0.00 C ATOM 557 NZ LYS A 39 15.822 19.030 2.437 1.00 0.00 N ATOM 0 H LYS A 39 11.894 13.572 6.420 1.00 0.00 H new ATOM 0 HA LYS A 39 11.607 14.384 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.574 16.247 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.940 15.190 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.436 15.126 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.044 16.140 2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.036 17.956 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.421 16.942 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.166 16.970 2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.624 17.558 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.272 19.313 1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.022 19.663 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.516 19.094 3.209 1.00 0.00 H new ATOM 571 N ILE A 40 12.806 12.290 3.085 1.00 0.00 N ATOM 572 CA ILE A 40 13.545 11.092 2.708 1.00 0.00 C ATOM 573 C ILE A 40 14.959 11.438 2.253 1.00 0.00 C ATOM 574 O ILE A 40 15.149 12.172 1.283 1.00 0.00 O ATOM 575 CB ILE A 40 12.830 10.321 1.582 1.00 0.00 C ATOM 576 CG1 ILE A 40 11.437 9.883 2.039 1.00 0.00 C ATOM 577 CG2 ILE A 40 13.657 9.117 1.156 1.00 0.00 C ATOM 578 CD1 ILE A 40 10.674 9.106 0.989 1.00 0.00 C ATOM 0 H ILE A 40 12.054 12.542 2.444 1.00 0.00 H new ATOM 0 HA ILE A 40 13.596 10.461 3.595 1.00 0.00 H new ATOM 0 HB ILE A 40 12.719 10.982 0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.533 9.270 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.860 10.765 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 40 13.138 8.583 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.629 9.453 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.797 8.452 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.696 8.828 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.546 9.724 0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.229 8.205 0.728 1.00 0.00 H new ATOM 590 N THR A 41 15.950 10.903 2.960 1.00 0.00 N ATOM 591 CA THR A 41 17.347 11.155 2.630 1.00 0.00 C ATOM 592 C THR A 41 18.156 9.863 2.646 1.00 0.00 C ATOM 593 O THR A 41 19.051 9.691 3.474 1.00 0.00 O ATOM 594 CB THR A 41 17.983 12.159 3.609 1.00 0.00 C ATOM 595 OG1 THR A 41 17.917 11.650 4.945 1.00 0.00 O ATOM 596 CG2 THR A 41 17.278 13.505 3.538 1.00 0.00 C ATOM 0 H THR A 41 15.810 10.292 3.765 1.00 0.00 H new ATOM 0 HA THR A 41 17.364 11.579 1.626 1.00 0.00 H new ATOM 0 HB THR A 41 19.026 12.298 3.325 1.00 0.00 H new ATOM 0 HG1 THR A 41 18.277 10.739 4.966 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.745 14.198 4.238 1.00 0.00 H new ATOM 0 HG22 THR A 41 17.356 13.904 2.527 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.227 13.379 3.798 1.00 0.00 H new ATOM 604 N ASP A 42 17.838 8.959 1.727 1.00 0.00 N ATOM 605 CA ASP A 42 18.537 7.683 1.635 1.00 0.00 C ATOM 606 C ASP A 42 18.259 7.005 0.297 1.00 0.00 C ATOM 607 O ASP A 42 17.562 7.556 -0.555 1.00 0.00 O ATOM 608 CB ASP A 42 18.119 6.763 2.783 1.00 0.00 C ATOM 609 CG ASP A 42 16.636 6.855 3.088 1.00 0.00 C ATOM 610 OD1 ASP A 42 15.829 6.745 2.142 1.00 0.00 O ATOM 611 OD2 ASP A 42 16.284 7.039 4.272 1.00 0.00 O ATOM 0 H ASP A 42 17.100 9.086 1.034 1.00 0.00 H new ATOM 0 HA ASP A 42 19.607 7.878 1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.372 5.733 2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.687 7.021 3.677 1.00 0.00 H new ATOM 616 N SER A 43 18.809 5.809 0.119 1.00 0.00 N ATOM 617 CA SER A 43 18.624 5.058 -1.117 1.00 0.00 C ATOM 618 C SER A 43 17.707 3.860 -0.893 1.00 0.00 C ATOM 619 O SER A 43 18.111 2.712 -1.080 1.00 0.00 O ATOM 620 CB SER A 43 19.975 4.587 -1.660 1.00 0.00 C ATOM 621 OG SER A 43 20.707 5.667 -2.212 1.00 0.00 O ATOM 0 H SER A 43 19.387 5.339 0.815 1.00 0.00 H new ATOM 0 HA SER A 43 18.157 5.718 -1.848 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.551 4.125 -0.859 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.818 3.823 -2.421 1.00 0.00 H new ATOM 0 HG SER A 43 21.567 5.340 -2.550 1.00 0.00 H new ATOM 627 N ARG A 44 16.471 4.135 -0.491 1.00 0.00 N ATOM 628 CA ARG A 44 15.496 3.081 -0.240 1.00 0.00 C ATOM 629 C ARG A 44 14.319 3.188 -1.204 1.00 0.00 C ATOM 630 O ARG A 44 14.164 4.190 -1.903 1.00 0.00 O ATOM 631 CB ARG A 44 14.995 3.154 1.204 1.00 0.00 C ATOM 632 CG ARG A 44 14.069 4.329 1.468 1.00 0.00 C ATOM 633 CD ARG A 44 13.868 4.556 2.958 1.00 0.00 C ATOM 634 NE ARG A 44 13.535 5.945 3.261 1.00 0.00 N ATOM 635 CZ ARG A 44 12.983 6.337 4.404 1.00 0.00 C ATOM 636 NH1 ARG A 44 12.705 5.448 5.348 1.00 0.00 N ATOM 637 NH2 ARG A 44 12.710 7.619 4.605 1.00 0.00 N ATOM 0 H ARG A 44 16.121 5.080 -0.332 1.00 0.00 H new ATOM 0 HA ARG A 44 15.987 2.121 -0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.472 2.229 1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.852 3.220 1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.483 5.229 1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.105 4.148 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.072 3.905 3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.776 4.276 3.493 1.00 0.00 H new ATOM 0 HE ARG A 44 13.737 6.654 2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.915 4.461 5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.281 5.751 6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.924 8.305 3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.286 7.919 5.483 1.00 0.00 H new ATOM 651 N TYR A 45 13.492 2.149 -1.238 1.00 0.00 N ATOM 652 CA TYR A 45 12.330 2.124 -2.119 1.00 0.00 C ATOM 653 C TYR A 45 11.113 1.553 -1.399 1.00 0.00 C ATOM 654 O TYR A 45 11.242 0.710 -0.510 1.00 0.00 O ATOM 655 CB TYR A 45 12.631 1.299 -3.371 1.00 0.00 C ATOM 656 CG TYR A 45 12.855 -0.169 -3.089 1.00 0.00 C ATOM 657 CD1 TYR A 45 14.092 -0.632 -2.656 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.832 -1.094 -3.255 1.00 0.00 C ATOM 659 CE1 TYR A 45 14.302 -1.973 -2.397 1.00 0.00 C ATOM 660 CE2 TYR A 45 12.033 -2.436 -2.998 1.00 0.00 C ATOM 661 CZ TYR A 45 13.270 -2.871 -2.569 1.00 0.00 C ATOM 662 OH TYR A 45 13.474 -4.207 -2.313 1.00 0.00 O ATOM 0 H TYR A 45 13.605 1.312 -0.665 1.00 0.00 H new ATOM 0 HA TYR A 45 12.106 3.149 -2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.803 1.403 -4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.516 1.706 -3.860 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.903 0.068 -2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.862 -0.758 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.270 -2.316 -2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.226 -3.141 -3.132 1.00 0.00 H new ATOM 0 HH TYR A 45 12.646 -4.703 -2.483 1.00 0.00 H new ATOM 672 N TYR A 46 9.931 2.017 -1.790 1.00 0.00 N ATOM 673 CA TYR A 46 8.689 1.554 -1.182 1.00 0.00 C ATOM 674 C TYR A 46 7.926 0.636 -2.132 1.00 0.00 C ATOM 675 O TYR A 46 7.912 0.850 -3.345 1.00 0.00 O ATOM 676 CB TYR A 46 7.813 2.745 -0.793 1.00 0.00 C ATOM 677 CG TYR A 46 8.259 3.437 0.475 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.871 2.963 1.722 1.00 0.00 C ATOM 679 CD2 TYR A 46 9.069 4.566 0.426 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.276 3.593 2.884 1.00 0.00 C ATOM 681 CE2 TYR A 46 9.480 5.200 1.582 1.00 0.00 C ATOM 682 CZ TYR A 46 9.081 4.710 2.808 1.00 0.00 C ATOM 683 OH TYR A 46 9.487 5.341 3.962 1.00 0.00 O ATOM 0 H TYR A 46 9.807 2.713 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 46 8.942 0.989 -0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.812 3.467 -1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.785 2.404 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.242 2.087 1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.382 4.954 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.964 3.213 3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.111 6.075 1.526 1.00 0.00 H new ATOM 0 HH TYR A 46 10.050 6.110 3.734 1.00 0.00 H new ATOM 693 N THR A 47 7.291 -0.389 -1.572 1.00 0.00 N ATOM 694 CA THR A 47 6.526 -1.341 -2.367 1.00 0.00 C ATOM 695 C THR A 47 5.091 -1.448 -1.866 1.00 0.00 C ATOM 696 O THR A 47 4.852 -1.677 -0.680 1.00 0.00 O ATOM 697 CB THR A 47 7.172 -2.740 -2.343 1.00 0.00 C ATOM 698 OG1 THR A 47 8.542 -2.654 -2.750 1.00 0.00 O ATOM 699 CG2 THR A 47 6.424 -3.696 -3.259 1.00 0.00 C ATOM 0 H THR A 47 7.292 -0.581 -0.570 1.00 0.00 H new ATOM 0 HA THR A 47 6.523 -0.967 -3.391 1.00 0.00 H new ATOM 0 HB THR A 47 7.120 -3.123 -1.324 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.946 -3.547 -2.730 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.898 -4.677 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.389 -3.782 -2.928 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.448 -3.316 -4.280 1.00 0.00 H new ATOM 707 N VAL A 48 4.137 -1.280 -2.776 1.00 0.00 N ATOM 708 CA VAL A 48 2.724 -1.359 -2.427 1.00 0.00 C ATOM 709 C VAL A 48 2.045 -2.522 -3.142 1.00 0.00 C ATOM 710 O VAL A 48 1.881 -2.502 -4.362 1.00 0.00 O ATOM 711 CB VAL A 48 1.985 -0.054 -2.776 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.495 -0.194 -2.506 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.569 1.114 -1.996 1.00 0.00 C ATOM 0 H VAL A 48 4.317 -1.088 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 48 2.673 -1.519 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 48 2.119 0.145 -3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.010 0.738 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.089 -1.003 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.336 -0.418 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.035 2.028 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.468 0.925 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.624 1.227 -2.246 1.00 0.00 H new ATOM 723 N ARG A 49 1.651 -3.533 -2.375 1.00 0.00 N ATOM 724 CA ARG A 49 0.990 -4.705 -2.936 1.00 0.00 C ATOM 725 C ARG A 49 -0.524 -4.602 -2.779 1.00 0.00 C ATOM 726 O ARG A 49 -1.020 -3.903 -1.896 1.00 0.00 O ATOM 727 CB ARG A 49 1.499 -5.978 -2.256 1.00 0.00 C ATOM 728 CG ARG A 49 1.196 -6.036 -0.767 1.00 0.00 C ATOM 729 CD ARG A 49 2.113 -7.013 -0.050 1.00 0.00 C ATOM 730 NE ARG A 49 1.553 -8.361 -0.010 1.00 0.00 N ATOM 731 CZ ARG A 49 2.290 -9.460 0.117 1.00 0.00 C ATOM 732 NH1 ARG A 49 3.609 -9.369 0.218 1.00 0.00 N ATOM 733 NH2 ARG A 49 1.707 -10.651 0.145 1.00 0.00 N ATOM 0 H ARG A 49 1.778 -3.564 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 49 1.225 -4.750 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.051 -6.844 -2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.577 -6.052 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.310 -5.043 -0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.158 -6.333 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.080 -7.037 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.290 -6.664 0.967 1.00 0.00 H new ATOM 0 HE ARG A 49 0.541 -8.465 -0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.060 -8.454 0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.173 -10.214 0.315 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.692 -10.724 0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.273 -11.494 0.242 1.00 0.00 H new ATOM 747 N TRP A 50 -1.251 -5.303 -3.642 1.00 0.00 N ATOM 748 CA TRP A 50 -2.709 -5.290 -3.599 1.00 0.00 C ATOM 749 C TRP A 50 -3.282 -6.585 -4.164 1.00 0.00 C ATOM 750 O TRP A 50 -2.722 -7.171 -5.090 1.00 0.00 O ATOM 751 CB TRP A 50 -3.252 -4.093 -4.383 1.00 0.00 C ATOM 752 CG TRP A 50 -2.898 -4.127 -5.839 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.653 -4.642 -6.854 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.699 -3.627 -6.441 1.00 0.00 C ATOM 755 NE1 TRP A 50 -2.995 -4.492 -8.051 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.795 -3.871 -7.825 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.556 -2.994 -5.946 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.790 -3.505 -8.716 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.441 -2.632 -6.832 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.319 -2.888 -8.205 1.00 0.00 C ATOM 0 H TRP A 50 -0.855 -5.887 -4.379 1.00 0.00 H new ATOM 0 HA TRP A 50 -3.016 -5.203 -2.557 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.337 -4.063 -4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.865 -3.174 -3.944 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.624 -5.100 -6.734 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.344 -4.794 -8.961 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.453 -2.791 -4.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.883 -3.701 -9.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.330 -2.143 -6.460 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.116 -2.593 -8.872 1.00 0.00 H new ATOM 771 N LYS A 51 -4.401 -7.027 -3.601 1.00 0.00 N ATOM 772 CA LYS A 51 -5.051 -8.253 -4.049 1.00 0.00 C ATOM 773 C LYS A 51 -6.522 -8.267 -3.646 1.00 0.00 C ATOM 774 O LYS A 51 -6.968 -7.439 -2.851 1.00 0.00 O ATOM 775 CB LYS A 51 -4.340 -9.475 -3.464 1.00 0.00 C ATOM 776 CG LYS A 51 -4.464 -9.587 -1.955 1.00 0.00 C ATOM 777 CD LYS A 51 -5.712 -10.354 -1.553 1.00 0.00 C ATOM 778 CE LYS A 51 -5.437 -11.845 -1.435 1.00 0.00 C ATOM 779 NZ LYS A 51 -6.600 -12.582 -0.869 1.00 0.00 N ATOM 0 H LYS A 51 -4.877 -6.554 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.989 -8.291 -5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.749 -10.376 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.284 -9.433 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.583 -10.087 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.492 -8.590 -1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.082 -9.975 -0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.497 -10.185 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.196 -12.248 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.564 -12.004 -0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.365 -13.592 -0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.826 -12.204 0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.422 -12.466 -1.495 1.00 0.00 H new ATOM 793 N THR A 52 -7.274 -9.215 -4.199 1.00 0.00 N ATOM 794 CA THR A 52 -8.694 -9.337 -3.897 1.00 0.00 C ATOM 795 C THR A 52 -9.002 -10.675 -3.235 1.00 0.00 C ATOM 796 O THR A 52 -8.272 -11.649 -3.413 1.00 0.00 O ATOM 797 CB THR A 52 -9.553 -9.196 -5.168 1.00 0.00 C ATOM 798 OG1 THR A 52 -10.868 -9.712 -4.931 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.916 -9.934 -6.336 1.00 0.00 C ATOM 0 H THR A 52 -6.922 -9.909 -4.858 1.00 0.00 H new ATOM 0 HA THR A 52 -8.941 -8.529 -3.209 1.00 0.00 H new ATOM 0 HB THR A 52 -9.619 -8.138 -5.420 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.408 -9.617 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.540 -9.820 -7.222 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.927 -9.519 -6.533 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.823 -10.992 -6.091 1.00 0.00 H new ATOM 807 N ASN A 53 -10.089 -10.715 -2.471 1.00 0.00 N ATOM 808 CA ASN A 53 -10.494 -11.935 -1.782 1.00 0.00 C ATOM 809 C ASN A 53 -11.118 -12.929 -2.757 1.00 0.00 C ATOM 810 O ASN A 53 -11.541 -14.017 -2.364 1.00 0.00 O ATOM 811 CB ASN A 53 -11.486 -11.609 -0.664 1.00 0.00 C ATOM 812 CG ASN A 53 -11.789 -12.812 0.210 1.00 0.00 C ATOM 813 OD1 ASN A 53 -12.934 -13.253 0.302 1.00 0.00 O ATOM 814 ND2 ASN A 53 -10.760 -13.347 0.856 1.00 0.00 N ATOM 0 H ASN A 53 -10.705 -9.917 -2.314 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.604 -12.390 -1.347 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.082 -10.807 -0.046 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.413 -11.238 -1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.902 -14.158 1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.828 -12.948 0.750 1.00 0.00 H new ATOM 821 N ILE A 54 -11.171 -12.548 -4.029 1.00 0.00 N ATOM 822 CA ILE A 54 -11.742 -13.406 -5.060 1.00 0.00 C ATOM 823 C ILE A 54 -10.876 -13.406 -6.315 1.00 0.00 C ATOM 824 O ILE A 54 -10.573 -12.361 -6.891 1.00 0.00 O ATOM 825 CB ILE A 54 -13.169 -12.964 -5.434 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.021 -12.796 -4.174 1.00 0.00 C ATOM 827 CG2 ILE A 54 -13.804 -13.972 -6.380 1.00 0.00 C ATOM 828 CD1 ILE A 54 -14.450 -14.108 -3.556 1.00 0.00 C ATOM 0 H ILE A 54 -10.826 -11.651 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.780 -14.414 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.115 -12.002 -5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.457 -12.224 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.908 -12.212 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.812 -13.646 -6.635 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.206 -14.046 -7.288 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.850 -14.947 -5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -15.050 -13.913 -2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.041 -14.673 -4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.568 -14.685 -3.278 1.00 0.00 H new ATOM 840 N PRO A 55 -10.469 -14.607 -6.753 1.00 0.00 N ATOM 841 CA PRO A 55 -10.823 -15.858 -6.075 1.00 0.00 C ATOM 842 C PRO A 55 -10.127 -16.005 -4.727 1.00 0.00 C ATOM 843 O PRO A 55 -9.602 -15.035 -4.180 1.00 0.00 O ATOM 844 CB PRO A 55 -10.339 -16.937 -7.047 1.00 0.00 C ATOM 845 CG PRO A 55 -9.247 -16.285 -7.824 1.00 0.00 C ATOM 846 CD PRO A 55 -9.631 -14.836 -7.942 1.00 0.00 C ATOM 0 HA PRO A 55 -11.888 -15.912 -5.851 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.975 -17.816 -6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.145 -17.271 -7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.288 -16.395 -7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.141 -16.742 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.755 -14.187 -7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.179 -14.639 -8.864 1.00 0.00 H new ATOM 854 N ALA A 56 -10.125 -17.223 -4.196 1.00 0.00 N ATOM 855 CA ALA A 56 -9.491 -17.496 -2.912 1.00 0.00 C ATOM 856 C ALA A 56 -7.999 -17.183 -2.959 1.00 0.00 C ATOM 857 O ALA A 56 -7.518 -16.301 -2.251 1.00 0.00 O ATOM 858 CB ALA A 56 -9.716 -18.946 -2.510 1.00 0.00 C ATOM 0 H ALA A 56 -10.555 -18.037 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.948 -16.848 -2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.237 -19.136 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.786 -19.139 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.287 -19.604 -3.266 1.00 0.00 H new ATOM 864 N ASN A 57 -7.273 -17.914 -3.799 1.00 0.00 N ATOM 865 CA ASN A 57 -5.834 -17.715 -3.937 1.00 0.00 C ATOM 866 C ASN A 57 -5.514 -16.926 -5.204 1.00 0.00 C ATOM 867 O ASN A 57 -6.014 -17.237 -6.286 1.00 0.00 O ATOM 868 CB ASN A 57 -5.112 -19.063 -3.966 1.00 0.00 C ATOM 869 CG ASN A 57 -3.663 -18.934 -4.393 1.00 0.00 C ATOM 870 OD1 ASN A 57 -2.778 -18.716 -3.565 1.00 0.00 O ATOM 871 ND2 ASN A 57 -3.414 -19.068 -5.690 1.00 0.00 N ATOM 0 H ASN A 57 -7.657 -18.649 -4.394 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.487 -17.144 -3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.157 -19.517 -2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.631 -19.735 -4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.458 -18.991 -6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.179 -19.248 -6.340 1.00 0.00 H new ATOM 878 N THR A 58 -4.675 -15.905 -5.062 1.00 0.00 N ATOM 879 CA THR A 58 -4.287 -15.072 -6.193 1.00 0.00 C ATOM 880 C THR A 58 -2.848 -14.589 -6.053 1.00 0.00 C ATOM 881 O THR A 58 -2.257 -14.672 -4.976 1.00 0.00 O ATOM 882 CB THR A 58 -5.215 -13.850 -6.335 1.00 0.00 C ATOM 883 OG1 THR A 58 -5.334 -13.177 -5.076 1.00 0.00 O ATOM 884 CG2 THR A 58 -6.593 -14.270 -6.823 1.00 0.00 C ATOM 0 H THR A 58 -4.251 -15.635 -4.174 1.00 0.00 H new ATOM 0 HA THR A 58 -4.374 -15.691 -7.086 1.00 0.00 H new ATOM 0 HB THR A 58 -4.778 -13.173 -7.069 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.924 -12.401 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.230 -13.390 -6.915 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.502 -14.756 -7.794 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.035 -14.965 -6.109 1.00 0.00 H new ATOM 892 N LYS A 59 -2.289 -14.084 -7.148 1.00 0.00 N ATOM 893 CA LYS A 59 -0.919 -13.586 -7.147 1.00 0.00 C ATOM 894 C LYS A 59 -0.851 -12.181 -6.557 1.00 0.00 C ATOM 895 O LYS A 59 -1.447 -11.244 -7.090 1.00 0.00 O ATOM 896 CB LYS A 59 -0.356 -13.581 -8.570 1.00 0.00 C ATOM 897 CG LYS A 59 -0.115 -14.971 -9.134 1.00 0.00 C ATOM 898 CD LYS A 59 1.005 -14.969 -10.160 1.00 0.00 C ATOM 899 CE LYS A 59 0.478 -14.695 -11.561 1.00 0.00 C ATOM 900 NZ LYS A 59 1.571 -14.325 -12.502 1.00 0.00 N ATOM 0 H LYS A 59 -2.764 -14.009 -8.047 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.318 -14.251 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.047 -13.048 -9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.583 -13.027 -8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.134 -15.656 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.031 -15.342 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.743 -14.212 -9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.516 -15.932 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.039 -15.579 -11.934 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.256 -13.890 -11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.171 -14.146 -13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.048 -13.467 -12.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.258 -15.103 -12.559 1.00 0.00 H new ATOM 914 N TYR A 60 -0.121 -12.041 -5.456 1.00 0.00 N ATOM 915 CA TYR A 60 0.023 -10.750 -4.794 1.00 0.00 C ATOM 916 C TYR A 60 0.732 -9.749 -5.701 1.00 0.00 C ATOM 917 O TYR A 60 1.834 -10.004 -6.186 1.00 0.00 O ATOM 918 CB TYR A 60 0.800 -10.909 -3.486 1.00 0.00 C ATOM 919 CG TYR A 60 -0.081 -11.182 -2.288 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.686 -10.141 -1.594 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.307 -12.480 -1.848 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.491 -10.385 -0.499 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.111 -12.734 -0.755 1.00 0.00 C ATOM 924 CZ TYR A 60 -1.701 -11.684 -0.083 1.00 0.00 C ATOM 925 OH TYR A 60 -2.502 -11.932 1.008 1.00 0.00 O ATOM 0 H TYR A 60 0.380 -12.805 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.974 -10.370 -4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.515 -11.725 -3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.377 -10.002 -3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.524 -9.123 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.154 -13.305 -2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.954 -9.564 0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.277 -13.750 -0.428 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.547 -12.898 1.168 1.00 0.00 H new ATOM 935 N LYS A 61 0.090 -8.607 -5.926 1.00 0.00 N ATOM 936 CA LYS A 61 0.657 -7.564 -6.772 1.00 0.00 C ATOM 937 C LYS A 61 1.714 -6.765 -6.017 1.00 0.00 C ATOM 938 O LYS A 61 1.868 -6.912 -4.806 1.00 0.00 O ATOM 939 CB LYS A 61 -0.446 -6.628 -7.271 1.00 0.00 C ATOM 940 CG LYS A 61 -1.345 -7.253 -8.323 1.00 0.00 C ATOM 941 CD LYS A 61 -0.804 -7.027 -9.725 1.00 0.00 C ATOM 942 CE LYS A 61 -1.240 -8.131 -10.676 1.00 0.00 C ATOM 943 NZ LYS A 61 -0.604 -7.993 -12.015 1.00 0.00 N ATOM 0 H LYS A 61 -0.824 -8.381 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 61 1.133 -8.044 -7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.056 -6.315 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.011 -5.729 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.437 -8.323 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.346 -6.829 -8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.152 -6.064 -10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.285 -6.982 -9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.982 -9.100 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.324 -8.109 -10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.927 -8.764 -12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.870 -7.079 -12.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.430 -8.039 -11.915 1.00 0.00 H new ATOM 957 N ASN A 62 2.440 -5.919 -6.742 1.00 0.00 N ATOM 958 CA ASN A 62 3.482 -5.096 -6.139 1.00 0.00 C ATOM 959 C ASN A 62 3.841 -3.923 -7.047 1.00 0.00 C ATOM 960 O ASN A 62 3.830 -4.046 -8.271 1.00 0.00 O ATOM 961 CB ASN A 62 4.728 -5.939 -5.859 1.00 0.00 C ATOM 962 CG ASN A 62 4.942 -7.019 -6.901 1.00 0.00 C ATOM 963 OD1 ASN A 62 5.278 -8.157 -6.572 1.00 0.00 O ATOM 964 ND2 ASN A 62 4.747 -6.667 -8.167 1.00 0.00 N ATOM 0 H ASN A 62 2.326 -5.786 -7.747 1.00 0.00 H new ATOM 0 HA ASN A 62 3.100 -4.701 -5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.603 -5.290 -5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.638 -6.400 -4.875 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.875 -7.352 -8.912 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.469 -5.712 -8.394 1.00 0.00 H new ATOM 971 N ALA A 63 4.159 -2.786 -6.436 1.00 0.00 N ATOM 972 CA ALA A 63 4.525 -1.592 -7.188 1.00 0.00 C ATOM 973 C ALA A 63 5.862 -1.033 -6.715 1.00 0.00 C ATOM 974 O ALA A 63 6.367 -1.416 -5.660 1.00 0.00 O ATOM 975 CB ALA A 63 3.435 -0.537 -7.065 1.00 0.00 C ATOM 0 H ALA A 63 4.170 -2.667 -5.423 1.00 0.00 H new ATOM 0 HA ALA A 63 4.629 -1.870 -8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.721 0.349 -7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.499 -0.933 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.303 -0.271 -6.016 1.00 0.00 H new ATOM 981 N ASN A 64 6.431 -0.125 -7.502 1.00 0.00 N ATOM 982 CA ASN A 64 7.711 0.486 -7.163 1.00 0.00 C ATOM 983 C ASN A 64 7.640 2.004 -7.292 1.00 0.00 C ATOM 984 O ASN A 64 7.498 2.538 -8.392 1.00 0.00 O ATOM 985 CB ASN A 64 8.817 -0.063 -8.067 1.00 0.00 C ATOM 986 CG ASN A 64 8.646 0.362 -9.512 1.00 0.00 C ATOM 987 OD1 ASN A 64 7.526 0.465 -10.013 1.00 0.00 O ATOM 988 ND2 ASN A 64 9.760 0.610 -10.191 1.00 0.00 N ATOM 0 H ASN A 64 6.026 0.204 -8.378 1.00 0.00 H new ATOM 0 HA ASN A 64 7.941 0.238 -6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.785 0.281 -7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.823 -1.151 -8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.708 0.899 -11.168 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.667 0.512 -9.736 1.00 0.00 H new ATOM 995 N ALA A 65 7.740 2.694 -6.161 1.00 0.00 N ATOM 996 CA ALA A 65 7.690 4.151 -6.148 1.00 0.00 C ATOM 997 C ALA A 65 8.246 4.708 -4.841 1.00 0.00 C ATOM 998 O ALA A 65 7.694 4.466 -3.767 1.00 0.00 O ATOM 999 CB ALA A 65 6.263 4.632 -6.365 1.00 0.00 C ATOM 0 H ALA A 65 7.856 2.268 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 65 8.313 4.519 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.241 5.722 -6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.900 4.272 -7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.624 4.247 -5.570 1.00 0.00 H new ATOM 1005 N THR A 66 9.342 5.454 -4.939 1.00 0.00 N ATOM 1006 CA THR A 66 9.973 6.043 -3.765 1.00 0.00 C ATOM 1007 C THR A 66 9.279 7.339 -3.360 1.00 0.00 C ATOM 1008 O THR A 66 9.564 8.405 -3.906 1.00 0.00 O ATOM 1009 CB THR A 66 11.466 6.329 -4.014 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.610 7.466 -4.872 1.00 0.00 O ATOM 1011 CG2 THR A 66 12.151 5.124 -4.640 1.00 0.00 C ATOM 0 H THR A 66 9.811 5.664 -5.820 1.00 0.00 H new ATOM 0 HA THR A 66 9.880 5.317 -2.958 1.00 0.00 H new ATOM 0 HB THR A 66 11.939 6.537 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.731 7.867 -5.034 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.204 5.350 -4.806 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.065 4.268 -3.971 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.675 4.889 -5.592 1.00 0.00 H new ATOM 1019 N THR A 67 8.367 7.241 -2.398 1.00 0.00 N ATOM 1020 CA THR A 67 7.632 8.405 -1.920 1.00 0.00 C ATOM 1021 C THR A 67 6.740 8.045 -0.738 1.00 0.00 C ATOM 1022 O THR A 67 6.583 6.871 -0.401 1.00 0.00 O ATOM 1023 CB THR A 67 6.765 9.019 -3.035 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.680 9.757 -2.462 1.00 0.00 O ATOM 1025 CG2 THR A 67 6.219 7.936 -3.954 1.00 0.00 C ATOM 0 H THR A 67 8.120 6.367 -1.934 1.00 0.00 H new ATOM 0 HA THR A 67 8.374 9.138 -1.602 1.00 0.00 H new ATOM 0 HB THR A 67 7.390 9.691 -3.623 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.135 10.145 -3.178 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.610 8.393 -4.734 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.048 7.395 -4.411 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.608 7.243 -3.376 1.00 0.00 H new ATOM 1033 N LEU A 68 6.157 9.061 -0.111 1.00 0.00 N ATOM 1034 CA LEU A 68 5.279 8.851 1.034 1.00 0.00 C ATOM 1035 C LEU A 68 3.820 8.776 0.595 1.00 0.00 C ATOM 1036 O LEU A 68 2.914 9.119 1.355 1.00 0.00 O ATOM 1037 CB LEU A 68 5.459 9.978 2.053 1.00 0.00 C ATOM 1038 CG LEU A 68 6.692 9.880 2.952 1.00 0.00 C ATOM 1039 CD1 LEU A 68 7.051 11.245 3.518 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.456 8.880 4.074 1.00 0.00 C ATOM 0 H LEU A 68 6.277 10.038 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 68 5.549 7.903 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.501 10.925 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.573 10.012 2.687 1.00 0.00 H new ATOM 0 HG LEU A 68 7.530 9.528 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.931 11.155 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.264 11.933 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.216 11.627 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.344 8.823 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.605 9.201 4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.250 7.898 3.649 1.00 0.00 H new ATOM 1052 N SER A 69 3.600 8.322 -0.635 1.00 0.00 N ATOM 1053 CA SER A 69 2.251 8.203 -1.176 1.00 0.00 C ATOM 1054 C SER A 69 2.246 7.344 -2.437 1.00 0.00 C ATOM 1055 O SER A 69 3.296 7.067 -3.017 1.00 0.00 O ATOM 1056 CB SER A 69 1.679 9.587 -1.485 1.00 0.00 C ATOM 1057 OG SER A 69 2.529 10.307 -2.361 1.00 0.00 O ATOM 0 H SER A 69 4.338 8.031 -1.275 1.00 0.00 H new ATOM 0 HA SER A 69 1.626 7.719 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.692 9.484 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.550 10.146 -0.558 1.00 0.00 H new ATOM 0 HG SER A 69 2.140 11.188 -2.544 1.00 0.00 H new ATOM 1063 N TYR A 70 1.057 6.927 -2.855 1.00 0.00 N ATOM 1064 CA TYR A 70 0.913 6.098 -4.046 1.00 0.00 C ATOM 1065 C TYR A 70 -0.554 5.960 -4.441 1.00 0.00 C ATOM 1066 O TYR A 70 -1.425 5.786 -3.587 1.00 0.00 O ATOM 1067 CB TYR A 70 1.520 4.714 -3.806 1.00 0.00 C ATOM 1068 CG TYR A 70 1.312 3.754 -4.956 1.00 0.00 C ATOM 1069 CD1 TYR A 70 1.564 4.142 -6.266 1.00 0.00 C ATOM 1070 CD2 TYR A 70 0.864 2.458 -4.731 1.00 0.00 C ATOM 1071 CE1 TYR A 70 1.375 3.268 -7.318 1.00 0.00 C ATOM 1072 CE2 TYR A 70 0.673 1.577 -5.778 1.00 0.00 C ATOM 1073 CZ TYR A 70 0.929 1.987 -7.070 1.00 0.00 C ATOM 1074 OH TYR A 70 0.740 1.113 -8.116 1.00 0.00 O ATOM 0 H TYR A 70 0.178 7.149 -2.387 1.00 0.00 H new ATOM 0 HA TYR A 70 1.446 6.585 -4.863 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.589 4.822 -3.623 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.083 4.287 -2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.914 5.144 -6.465 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.662 2.134 -3.721 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.576 3.586 -8.330 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.325 0.573 -5.586 1.00 0.00 H new ATOM 0 HH TYR A 70 0.425 0.252 -7.770 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.821 6.038 -5.740 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.182 5.921 -6.250 1.00 0.00 C ATOM 1086 C LEU A 71 -2.351 4.644 -7.066 1.00 0.00 C ATOM 1087 O LEU A 71 -1.802 4.518 -8.161 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.533 7.138 -7.108 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.850 7.059 -7.879 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -5.002 7.562 -7.023 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -3.759 7.854 -9.174 1.00 0.00 C ATOM 0 H LEU A 71 -0.112 6.182 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.860 5.877 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.566 8.015 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.726 7.298 -7.823 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.039 6.015 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.931 7.498 -7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.082 6.950 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.820 8.599 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.706 7.786 -9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.545 8.898 -8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.961 7.448 -9.795 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.114 3.699 -6.527 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.358 2.433 -7.207 1.00 0.00 C ATOM 1105 C VAL A 72 -4.351 2.605 -8.351 1.00 0.00 C ATOM 1106 O VAL A 72 -5.197 3.500 -8.325 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.893 1.367 -6.233 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.600 -0.031 -6.756 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -3.295 1.562 -4.848 1.00 0.00 C ATOM 0 H VAL A 72 -3.574 3.786 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.401 2.100 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.974 1.481 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.986 -0.770 -6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.081 -0.165 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.523 -0.161 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.684 0.800 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.210 1.476 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.562 2.550 -4.472 1.00 0.00 H new ATOM 1119 N THR A 73 -4.245 1.741 -9.356 1.00 0.00 N ATOM 1120 CA THR A 73 -5.133 1.797 -10.510 1.00 0.00 C ATOM 1121 C THR A 73 -5.225 0.441 -11.199 1.00 0.00 C ATOM 1122 O THR A 73 -4.231 -0.272 -11.325 1.00 0.00 O ATOM 1123 CB THR A 73 -4.660 2.848 -11.532 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.291 2.611 -11.880 1.00 0.00 O ATOM 1125 CG2 THR A 73 -4.809 4.254 -10.971 1.00 0.00 C ATOM 0 H THR A 73 -3.552 0.994 -9.394 1.00 0.00 H new ATOM 0 HA THR A 73 -6.118 2.080 -10.138 1.00 0.00 H new ATOM 0 HB THR A 73 -5.282 2.762 -12.423 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.998 3.282 -12.531 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.469 4.979 -11.711 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.856 4.442 -10.734 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.209 4.350 -10.066 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.428 0.089 -11.645 1.00 0.00 N ATOM 1134 CA GLY A 74 -6.628 -1.181 -12.316 1.00 0.00 C ATOM 1135 C GLY A 74 -7.333 -2.196 -11.439 1.00 0.00 C ATOM 1136 O GLY A 74 -7.074 -3.397 -11.534 1.00 0.00 O ATOM 0 H GLY A 74 -7.267 0.662 -11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.212 -1.021 -13.223 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.662 -1.581 -12.625 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.226 -1.715 -10.581 1.00 0.00 N ATOM 1141 CA LEU A 75 -8.970 -2.589 -9.681 1.00 0.00 C ATOM 1142 C LEU A 75 -10.382 -2.834 -10.203 1.00 0.00 C ATOM 1143 O LEU A 75 -10.918 -2.036 -10.972 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.031 -1.978 -8.280 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.724 -1.392 -7.745 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.006 -0.302 -6.724 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.860 -2.486 -7.135 1.00 0.00 C ATOM 0 H LEU A 75 -8.452 -0.725 -10.490 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.450 -3.546 -9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.785 -1.191 -8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.373 -2.745 -7.585 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.179 -0.948 -8.578 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.064 0.103 -6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.585 0.494 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.572 -0.721 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.934 -2.051 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.398 -2.959 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.628 -3.233 -7.895 1.00 0.00 H new ATOM 1159 N LYS A 76 -10.981 -3.942 -9.779 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.332 -4.291 -10.201 1.00 0.00 C ATOM 1161 C LYS A 76 -13.371 -3.551 -9.365 1.00 0.00 C ATOM 1162 O LYS A 76 -13.229 -3.392 -8.153 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.550 -5.802 -10.084 1.00 0.00 C ATOM 1164 CG LYS A 76 -13.608 -6.339 -11.032 1.00 0.00 C ATOM 1165 CD LYS A 76 -13.559 -7.855 -11.122 1.00 0.00 C ATOM 1166 CE LYS A 76 -14.236 -8.506 -9.926 1.00 0.00 C ATOM 1167 NZ LYS A 76 -15.719 -8.381 -9.993 1.00 0.00 N ATOM 0 H LYS A 76 -10.551 -4.614 -9.143 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.450 -3.992 -11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.607 -6.313 -10.278 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.837 -6.041 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.595 -6.026 -10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.461 -5.910 -12.023 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.047 -8.182 -12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.521 -8.184 -11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.962 -9.560 -9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.874 -8.044 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.055 -7.802 -9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.989 -7.927 -10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.150 -9.326 -9.940 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.442 -3.087 -10.027 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.527 -2.358 -9.364 1.00 0.00 C ATOM 1183 C PRO A 77 -16.356 -3.255 -8.451 1.00 0.00 C ATOM 1184 O PRO A 77 -16.487 -4.454 -8.696 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.378 -1.849 -10.530 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.106 -2.804 -11.641 1.00 0.00 C ATOM 1187 CD PRO A 77 -14.677 -3.241 -11.472 1.00 0.00 C ATOM 0 HA PRO A 77 -15.149 -1.566 -8.717 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.437 -1.834 -10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.103 -0.831 -10.806 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.783 -3.657 -11.596 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.256 -2.328 -12.610 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.531 -4.272 -11.795 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.996 -2.624 -12.058 1.00 0.00 H new ATOM 1195 N ASN A 78 -16.915 -2.666 -7.399 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.732 -3.413 -6.449 1.00 0.00 C ATOM 1197 C ASN A 78 -17.050 -4.720 -6.056 1.00 0.00 C ATOM 1198 O ASN A 78 -17.633 -5.799 -6.176 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.109 -3.704 -7.048 1.00 0.00 C ATOM 1200 CG ASN A 78 -20.187 -3.824 -5.988 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -19.896 -3.856 -4.792 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -21.440 -3.893 -6.423 1.00 0.00 N ATOM 0 H ASN A 78 -16.817 -1.674 -7.183 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.854 -2.803 -5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.375 -2.909 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.064 -4.629 -7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -22.207 -3.976 -5.756 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -21.635 -3.863 -7.424 1.00 0.00 H new ATOM 1209 N THR A 79 -15.812 -4.617 -5.583 1.00 0.00 N ATOM 1210 CA THR A 79 -15.050 -5.789 -5.172 1.00 0.00 C ATOM 1211 C THR A 79 -14.108 -5.457 -4.021 1.00 0.00 C ATOM 1212 O THR A 79 -13.488 -4.392 -4.000 1.00 0.00 O ATOM 1213 CB THR A 79 -14.230 -6.365 -6.342 1.00 0.00 C ATOM 1214 OG1 THR A 79 -15.097 -6.694 -7.433 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.462 -7.604 -5.906 1.00 0.00 C ATOM 0 H THR A 79 -15.315 -3.733 -5.475 1.00 0.00 H new ATOM 0 HA THR A 79 -15.773 -6.536 -4.842 1.00 0.00 H new ATOM 0 HB THR A 79 -13.515 -5.608 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.436 -5.870 -7.841 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.890 -7.993 -6.749 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.782 -7.344 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.163 -8.364 -5.561 1.00 0.00 H new ATOM 1223 N LEU A 80 -14.002 -6.373 -3.065 1.00 0.00 N ATOM 1224 CA LEU A 80 -13.134 -6.178 -1.910 1.00 0.00 C ATOM 1225 C LEU A 80 -11.671 -6.101 -2.335 1.00 0.00 C ATOM 1226 O LEU A 80 -11.201 -6.917 -3.129 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.325 -7.314 -0.904 1.00 0.00 C ATOM 1228 CG LEU A 80 -13.021 -6.977 0.556 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.571 -6.546 0.713 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -13.960 -5.891 1.059 1.00 0.00 C ATOM 0 H LEU A 80 -14.507 -7.259 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.407 -5.234 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.357 -7.660 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.690 -8.148 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.179 -7.873 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.373 -6.310 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.914 -7.355 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.385 -5.664 0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.729 -5.664 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.834 -4.993 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.991 -6.237 0.983 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.955 -5.118 -1.800 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.546 -4.935 -2.124 1.00 0.00 C ATOM 1244 C TYR A 81 -8.800 -4.282 -0.964 1.00 0.00 C ATOM 1245 O TYR A 81 -9.319 -3.378 -0.310 1.00 0.00 O ATOM 1246 CB TYR A 81 -9.397 -4.082 -3.385 1.00 0.00 C ATOM 1247 CG TYR A 81 -9.426 -4.885 -4.666 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -8.284 -5.525 -5.133 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -10.593 -5.002 -5.410 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -8.305 -6.259 -6.303 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.624 -5.735 -6.581 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.477 -6.362 -7.023 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.503 -7.092 -8.189 1.00 0.00 O ATOM 0 H TYR A 81 -11.328 -4.436 -1.140 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.111 -5.918 -2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.198 -3.344 -3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.458 -3.531 -3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.365 -5.447 -4.572 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.492 -4.511 -5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.408 -6.750 -6.652 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.540 -5.817 -7.147 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.405 -7.065 -8.572 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.580 -4.747 -0.717 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.762 -4.208 0.364 1.00 0.00 C ATOM 1265 C GLU A 82 -5.452 -3.641 -0.176 1.00 0.00 C ATOM 1266 O GLU A 82 -5.052 -3.936 -1.302 1.00 0.00 O ATOM 1267 CB GLU A 82 -6.472 -5.294 1.402 1.00 0.00 C ATOM 1268 CG GLU A 82 -5.804 -6.529 0.822 1.00 0.00 C ATOM 1269 CD GLU A 82 -4.432 -6.234 0.246 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -3.523 -5.885 1.028 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -4.268 -6.351 -0.987 1.00 0.00 O ATOM 0 H GLU A 82 -7.136 -5.495 -1.250 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.318 -3.400 0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.833 -4.878 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.407 -5.587 1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.712 -7.287 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.439 -6.948 0.042 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.790 -2.824 0.636 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.526 -2.213 0.241 1.00 0.00 C ATOM 1280 C PHE A 83 -2.563 -2.142 1.423 1.00 0.00 C ATOM 1281 O PHE A 83 -2.975 -1.912 2.560 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.766 -0.810 -0.320 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.832 -0.762 -1.377 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -6.167 -0.629 -1.029 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -4.500 -0.851 -2.719 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -7.150 -0.584 -1.999 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -5.478 -0.806 -3.694 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.805 -0.674 -3.334 1.00 0.00 C ATOM 0 H PHE A 83 -5.107 -2.570 1.571 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.078 -2.835 -0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.045 -0.144 0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.834 -0.430 -0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -6.442 -0.560 0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.464 -0.957 -3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -8.186 -0.479 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.205 -0.874 -4.737 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.571 -0.641 -4.094 1.00 0.00 H new ATOM 1298 N SER A 84 -1.279 -2.342 1.146 1.00 0.00 N ATOM 1299 CA SER A 84 -0.257 -2.305 2.186 1.00 0.00 C ATOM 1300 C SER A 84 1.013 -1.631 1.676 1.00 0.00 C ATOM 1301 O SER A 84 1.223 -1.509 0.469 1.00 0.00 O ATOM 1302 CB SER A 84 0.061 -3.722 2.667 1.00 0.00 C ATOM 1303 OG SER A 84 0.544 -3.711 4.000 1.00 0.00 O ATOM 0 H SER A 84 -0.921 -2.531 0.210 1.00 0.00 H new ATOM 0 HA SER A 84 -0.645 -1.723 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.835 -4.340 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.805 -4.174 2.011 1.00 0.00 H new ATOM 0 HG SER A 84 -0.207 -3.816 4.621 1.00 0.00 H new ATOM 1309 N VAL A 85 1.858 -1.195 2.605 1.00 0.00 N ATOM 1310 CA VAL A 85 3.108 -0.534 2.251 1.00 0.00 C ATOM 1311 C VAL A 85 4.270 -1.080 3.074 1.00 0.00 C ATOM 1312 O VAL A 85 4.109 -1.415 4.247 1.00 0.00 O ATOM 1313 CB VAL A 85 3.017 0.989 2.460 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.221 1.686 1.845 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.721 1.529 1.873 1.00 0.00 C ATOM 0 H VAL A 85 1.699 -1.288 3.608 1.00 0.00 H new ATOM 0 HA VAL A 85 3.286 -0.738 1.195 1.00 0.00 H new ATOM 0 HB VAL A 85 3.018 1.192 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.139 2.761 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.133 1.319 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.255 1.478 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.672 2.607 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.689 1.315 0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.873 1.052 2.364 1.00 0.00 H new ATOM 1325 N MET A 86 5.441 -1.165 2.451 1.00 0.00 N ATOM 1326 CA MET A 86 6.631 -1.668 3.127 1.00 0.00 C ATOM 1327 C MET A 86 7.875 -0.909 2.676 1.00 0.00 C ATOM 1328 O MET A 86 7.857 -0.220 1.655 1.00 0.00 O ATOM 1329 CB MET A 86 6.804 -3.163 2.855 1.00 0.00 C ATOM 1330 CG MET A 86 7.457 -3.465 1.516 1.00 0.00 C ATOM 1331 SD MET A 86 9.255 -3.549 1.622 1.00 0.00 S ATOM 1332 CE MET A 86 9.493 -5.289 1.972 1.00 0.00 C ATOM 0 H MET A 86 5.591 -0.892 1.480 1.00 0.00 H new ATOM 0 HA MET A 86 6.502 -1.514 4.198 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.406 -3.602 3.651 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.828 -3.646 2.891 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.075 -4.412 1.135 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.175 -2.696 0.797 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.549 -5.539 1.873 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.163 -5.504 2.988 1.00 0.00 H new ATOM 0 HE3 MET A 86 8.912 -5.885 1.268 1.00 0.00 H new ATOM 1342 N VAL A 87 8.953 -1.040 3.442 1.00 0.00 N ATOM 1343 CA VAL A 87 10.206 -0.367 3.119 1.00 0.00 C ATOM 1344 C VAL A 87 11.373 -1.348 3.126 1.00 0.00 C ATOM 1345 O VAL A 87 11.410 -2.283 3.926 1.00 0.00 O ATOM 1346 CB VAL A 87 10.502 0.773 4.111 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.570 0.240 5.534 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.794 1.483 3.736 1.00 0.00 C ATOM 0 H VAL A 87 8.984 -1.606 4.290 1.00 0.00 H new ATOM 0 HA VAL A 87 10.093 0.052 2.119 1.00 0.00 H new ATOM 0 HB VAL A 87 9.688 1.496 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.780 1.060 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.616 -0.218 5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.362 -0.505 5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.988 2.286 4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.620 0.772 3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.702 1.901 2.734 1.00 0.00 H new ATOM 1358 N THR A 88 12.329 -1.127 2.228 1.00 0.00 N ATOM 1359 CA THR A 88 13.499 -1.991 2.130 1.00 0.00 C ATOM 1360 C THR A 88 14.777 -1.172 1.994 1.00 0.00 C ATOM 1361 O THR A 88 14.947 -0.419 1.034 1.00 0.00 O ATOM 1362 CB THR A 88 13.389 -2.951 0.931 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.260 -3.816 1.098 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.654 -3.783 0.785 1.00 0.00 C ATOM 0 H THR A 88 12.316 -0.357 1.559 1.00 0.00 H new ATOM 0 HA THR A 88 13.540 -2.573 3.050 1.00 0.00 H new ATOM 0 HB THR A 88 13.259 -2.355 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.451 -3.277 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.552 -4.453 -0.069 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.507 -3.123 0.628 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.810 -4.370 1.690 1.00 0.00 H new ATOM 1372 N LYS A 89 15.676 -1.322 2.961 1.00 0.00 N ATOM 1373 CA LYS A 89 16.942 -0.598 2.949 1.00 0.00 C ATOM 1374 C LYS A 89 18.077 -1.494 2.463 1.00 0.00 C ATOM 1375 O LYS A 89 19.080 -1.672 3.153 1.00 0.00 O ATOM 1376 CB LYS A 89 17.262 -0.066 4.348 1.00 0.00 C ATOM 1377 CG LYS A 89 16.700 1.320 4.615 1.00 0.00 C ATOM 1378 CD LYS A 89 17.679 2.406 4.202 1.00 0.00 C ATOM 1379 CE LYS A 89 17.470 3.680 5.007 1.00 0.00 C ATOM 1380 NZ LYS A 89 18.727 4.468 5.134 1.00 0.00 N ATOM 0 H LYS A 89 15.551 -1.939 3.764 1.00 0.00 H new ATOM 0 HA LYS A 89 16.845 0.242 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.866 -0.759 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 89 18.344 -0.042 4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.764 1.446 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.468 1.422 5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.700 2.050 4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.559 2.621 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.705 4.291 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.099 3.426 6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.514 5.396 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.397 3.957 5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.149 4.602 4.193 1.00 0.00 H new ATOM 1394 N GLY A 90 17.912 -2.055 1.269 1.00 0.00 N ATOM 1395 CA GLY A 90 18.931 -2.924 0.710 1.00 0.00 C ATOM 1396 C GLY A 90 18.827 -4.346 1.225 1.00 0.00 C ATOM 1397 O GLY A 90 18.094 -5.163 0.667 1.00 0.00 O ATOM 0 H GLY A 90 17.091 -1.923 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.845 -2.927 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.916 -2.525 0.951 1.00 0.00 H new ATOM 1401 N ARG A 91 19.562 -4.643 2.291 1.00 0.00 N ATOM 1402 CA ARG A 91 19.551 -5.977 2.879 1.00 0.00 C ATOM 1403 C ARG A 91 18.488 -6.082 3.969 1.00 0.00 C ATOM 1404 O ARG A 91 18.066 -7.179 4.334 1.00 0.00 O ATOM 1405 CB ARG A 91 20.926 -6.313 3.459 1.00 0.00 C ATOM 1406 CG ARG A 91 21.991 -6.552 2.402 1.00 0.00 C ATOM 1407 CD ARG A 91 23.312 -6.974 3.027 1.00 0.00 C ATOM 1408 NE ARG A 91 23.222 -8.284 3.665 1.00 0.00 N ATOM 1409 CZ ARG A 91 24.048 -8.694 4.621 1.00 0.00 C ATOM 1410 NH1 ARG A 91 25.020 -7.899 5.048 1.00 0.00 N ATOM 1411 NH2 ARG A 91 23.902 -9.901 5.153 1.00 0.00 N ATOM 0 H ARG A 91 20.173 -3.978 2.765 1.00 0.00 H new ATOM 0 HA ARG A 91 19.312 -6.692 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.246 -5.498 4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.840 -7.202 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.652 -7.323 1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 91 22.137 -5.643 1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 91 24.085 -6.997 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 91 23.617 -6.232 3.765 1.00 0.00 H new ATOM 0 HE ARG A 91 22.484 -8.919 3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 91 25.135 -6.970 4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 91 25.653 -8.216 5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 91 23.155 -10.515 4.828 1.00 0.00 H new ATOM 0 HH22 ARG A 91 24.537 -10.215 5.887 1.00 0.00 H new ATOM 1425 N ARG A 92 18.061 -4.934 4.484 1.00 0.00 N ATOM 1426 CA ARG A 92 17.049 -4.896 5.533 1.00 0.00 C ATOM 1427 C ARG A 92 15.679 -4.552 4.955 1.00 0.00 C ATOM 1428 O ARG A 92 15.578 -3.996 3.862 1.00 0.00 O ATOM 1429 CB ARG A 92 17.433 -3.876 6.606 1.00 0.00 C ATOM 1430 CG ARG A 92 18.432 -4.406 7.621 1.00 0.00 C ATOM 1431 CD ARG A 92 18.702 -3.390 8.720 1.00 0.00 C ATOM 1432 NE ARG A 92 19.912 -3.707 9.474 1.00 0.00 N ATOM 1433 CZ ARG A 92 20.377 -2.958 10.467 1.00 0.00 C ATOM 1434 NH1 ARG A 92 19.737 -1.853 10.824 1.00 0.00 N ATOM 1435 NH2 ARG A 92 21.485 -3.313 11.105 1.00 0.00 N ATOM 0 H ARG A 92 18.400 -4.017 4.192 1.00 0.00 H new ATOM 0 HA ARG A 92 16.995 -5.886 5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.852 -2.994 6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.532 -3.555 7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.051 -5.327 8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.366 -4.656 7.118 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.799 -2.397 8.280 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.850 -3.356 9.399 1.00 0.00 H new ATOM 0 HE ARG A 92 20.428 -4.550 9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 92 18.885 -1.577 10.336 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.096 -1.279 11.587 1.00 0.00 H new ATOM 0 HH21 ARG A 92 21.980 -4.162 10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 92 21.841 -2.737 11.868 1.00 0.00 H new ATOM 1449 N SER A 93 14.628 -4.887 5.697 1.00 0.00 N ATOM 1450 CA SER A 93 13.265 -4.618 5.256 1.00 0.00 C ATOM 1451 C SER A 93 12.291 -4.691 6.428 1.00 0.00 C ATOM 1452 O SER A 93 12.575 -5.320 7.448 1.00 0.00 O ATOM 1453 CB SER A 93 12.850 -5.614 4.171 1.00 0.00 C ATOM 1454 OG SER A 93 13.778 -5.616 3.100 1.00 0.00 O ATOM 0 H SER A 93 14.695 -5.345 6.606 1.00 0.00 H new ATOM 0 HA SER A 93 13.236 -3.610 4.843 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.781 -6.614 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 93 11.859 -5.358 3.797 1.00 0.00 H new ATOM 0 HG SER A 93 13.492 -6.261 2.420 1.00 0.00 H new ATOM 1460 N SER A 94 11.140 -4.044 6.275 1.00 0.00 N ATOM 1461 CA SER A 94 10.124 -4.032 7.321 1.00 0.00 C ATOM 1462 C SER A 94 8.900 -4.838 6.899 1.00 0.00 C ATOM 1463 O SER A 94 8.593 -4.949 5.711 1.00 0.00 O ATOM 1464 CB SER A 94 9.715 -2.594 7.647 1.00 0.00 C ATOM 1465 OG SER A 94 9.089 -1.978 6.536 1.00 0.00 O ATOM 0 H SER A 94 10.888 -3.521 5.436 1.00 0.00 H new ATOM 0 HA SER A 94 10.550 -4.492 8.213 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.036 -2.590 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.594 -2.019 7.938 1.00 0.00 H new ATOM 0 HG SER A 94 8.154 -2.268 6.485 1.00 0.00 H new ATOM 1471 N THR A 95 8.202 -5.401 7.881 1.00 0.00 N ATOM 1472 CA THR A 95 7.012 -6.198 7.613 1.00 0.00 C ATOM 1473 C THR A 95 5.936 -5.366 6.924 1.00 0.00 C ATOM 1474 O THR A 95 6.075 -4.151 6.780 1.00 0.00 O ATOM 1475 CB THR A 95 6.431 -6.794 8.909 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.367 -7.700 8.598 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.918 -5.696 9.828 1.00 0.00 C ATOM 0 H THR A 95 8.441 -5.319 8.869 1.00 0.00 H new ATOM 0 HA THR A 95 7.318 -7.010 6.953 1.00 0.00 H new ATOM 0 HB THR A 95 7.227 -7.333 9.423 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.004 -8.076 9.427 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.513 -6.142 10.736 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.738 -5.026 10.087 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.135 -5.132 9.320 1.00 0.00 H new ATOM 1485 N TRP A 96 4.864 -6.026 6.501 1.00 0.00 N ATOM 1486 CA TRP A 96 3.764 -5.345 5.828 1.00 0.00 C ATOM 1487 C TRP A 96 2.860 -4.643 6.835 1.00 0.00 C ATOM 1488 O TRP A 96 2.276 -5.283 7.710 1.00 0.00 O ATOM 1489 CB TRP A 96 2.950 -6.343 5.002 1.00 0.00 C ATOM 1490 CG TRP A 96 3.642 -6.779 3.746 1.00 0.00 C ATOM 1491 CD1 TRP A 96 4.096 -8.033 3.454 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.961 -5.961 2.615 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.678 -8.044 2.209 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.607 -6.785 1.673 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.761 -4.613 2.305 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.054 -6.304 0.446 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.206 -4.137 1.086 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.846 -4.980 0.168 1.00 0.00 C ATOM 0 H TRP A 96 4.733 -7.031 6.612 1.00 0.00 H new ATOM 0 HA TRP A 96 4.188 -4.592 5.163 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.735 -7.220 5.613 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.992 -5.893 4.743 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.010 -8.890 4.105 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.095 -8.858 1.757 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.268 -3.955 3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.548 -6.953 -0.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.058 -3.097 0.837 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.181 -4.578 -0.776 1.00 0.00 H new ATOM 1509 N SER A 97 2.749 -3.325 6.706 1.00 0.00 N ATOM 1510 CA SER A 97 1.918 -2.536 7.608 1.00 0.00 C ATOM 1511 C SER A 97 0.477 -3.039 7.599 1.00 0.00 C ATOM 1512 O SER A 97 0.090 -3.830 6.740 1.00 0.00 O ATOM 1513 CB SER A 97 1.957 -1.059 7.211 1.00 0.00 C ATOM 1514 OG SER A 97 1.649 -0.892 5.837 1.00 0.00 O ATOM 0 H SER A 97 3.224 -2.781 5.986 1.00 0.00 H new ATOM 0 HA SER A 97 2.316 -2.644 8.617 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.246 -0.497 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.946 -0.650 7.418 1.00 0.00 H new ATOM 0 HG SER A 97 2.476 -0.917 5.311 1.00 0.00 H new ATOM 1520 N MET A 98 -0.311 -2.574 8.563 1.00 0.00 N ATOM 1521 CA MET A 98 -1.709 -2.975 8.666 1.00 0.00 C ATOM 1522 C MET A 98 -2.398 -2.901 7.307 1.00 0.00 C ATOM 1523 O MET A 98 -2.461 -1.838 6.688 1.00 0.00 O ATOM 1524 CB MET A 98 -2.444 -2.086 9.672 1.00 0.00 C ATOM 1525 CG MET A 98 -2.209 -0.600 9.455 1.00 0.00 C ATOM 1526 SD MET A 98 -3.435 0.425 10.290 1.00 0.00 S ATOM 1527 CE MET A 98 -4.751 0.437 9.076 1.00 0.00 C ATOM 0 H MET A 98 -0.005 -1.920 9.283 1.00 0.00 H new ATOM 0 HA MET A 98 -1.740 -4.008 9.013 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.513 -2.289 9.611 1.00 0.00 H new ATOM 0 HB3 MET A 98 -2.126 -2.352 10.680 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.215 -0.337 9.815 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.228 -0.385 8.387 1.00 0.00 H new ATOM 0 HE1 MET A 98 -5.584 1.033 9.448 1.00 0.00 H new ATOM 0 HE2 MET A 98 -4.383 0.869 8.145 1.00 0.00 H new ATOM 0 HE3 MET A 98 -5.088 -0.584 8.894 1.00 0.00 H new ATOM 1537 N THR A 99 -2.913 -4.037 6.847 1.00 0.00 N ATOM 1538 CA THR A 99 -3.595 -4.101 5.561 1.00 0.00 C ATOM 1539 C THR A 99 -4.824 -3.199 5.545 1.00 0.00 C ATOM 1540 O THR A 99 -5.767 -3.405 6.308 1.00 0.00 O ATOM 1541 CB THR A 99 -4.025 -5.541 5.224 1.00 0.00 C ATOM 1542 OG1 THR A 99 -3.111 -6.475 5.809 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.080 -5.752 3.719 1.00 0.00 C ATOM 0 H THR A 99 -2.870 -4.925 7.346 1.00 0.00 H new ATOM 0 HA THR A 99 -2.885 -3.757 4.809 1.00 0.00 H new ATOM 0 HB THR A 99 -5.022 -5.704 5.634 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.392 -7.388 5.591 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.386 -6.776 3.506 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.799 -5.060 3.281 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.094 -5.571 3.290 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.807 -2.199 4.669 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.921 -1.267 4.552 1.00 0.00 C ATOM 1553 C ALA A 100 -6.951 -1.766 3.544 1.00 0.00 C ATOM 1554 O ALA A 100 -6.648 -1.931 2.362 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.416 0.112 4.155 1.00 0.00 C ATOM 0 H ALA A 100 -4.034 -2.014 4.030 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.408 -1.197 5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.259 0.798 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.724 0.478 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.903 0.049 3.195 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.169 -2.007 4.019 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.244 -2.488 3.158 1.00 0.00 C ATOM 1563 C HIS A 101 -10.056 -1.323 2.601 1.00 0.00 C ATOM 1564 O HIS A 101 -10.365 -0.370 3.316 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.158 -3.439 3.932 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.495 -4.726 4.317 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.186 -5.817 3.579 1.00 0.00 N flip ATOM 1568 CD2 HIS A 101 -9.072 -5.000 5.600 1.00 0.00 C flip ATOM 1569 CE1 HIS A 101 -8.586 -6.721 4.421 1.00 0.00 C flip ATOM 1570 NE2 HIS A 101 -8.529 -6.203 5.635 1.00 0.00 N flip ATOM 0 H HIS A 101 -8.436 -1.877 4.995 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.795 -3.026 2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.511 -2.938 4.833 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.036 -3.660 3.326 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -9.170 -4.334 6.445 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.220 -7.697 4.137 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -8.133 -6.655 6.459 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.399 -1.406 1.319 1.00 0.00 N ATOM 1580 CA GLY A 102 -11.171 -0.352 0.688 1.00 0.00 C ATOM 1581 C GLY A 102 -12.066 -0.873 -0.420 1.00 0.00 C ATOM 1582 O GLY A 102 -11.605 -1.568 -1.326 1.00 0.00 O ATOM 0 H GLY A 102 -10.156 -2.184 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.782 0.147 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.492 0.397 0.281 1.00 0.00 H new ATOM 1586 N THR A 103 -13.350 -0.537 -0.348 1.00 0.00 N ATOM 1587 CA THR A 103 -14.312 -0.977 -1.350 1.00 0.00 C ATOM 1588 C THR A 103 -14.510 0.084 -2.426 1.00 0.00 C ATOM 1589 O THR A 103 -14.951 1.198 -2.142 1.00 0.00 O ATOM 1590 CB THR A 103 -15.676 -1.306 -0.713 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.484 -2.007 0.521 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.523 -2.149 -1.654 1.00 0.00 C ATOM 0 H THR A 103 -13.748 0.039 0.394 1.00 0.00 H new ATOM 0 HA THR A 103 -13.904 -1.880 -1.804 1.00 0.00 H new ATOM 0 HB THR A 103 -16.198 -0.369 -0.521 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.355 -2.211 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.481 -2.369 -1.183 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.692 -1.601 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 103 -16.004 -3.082 -1.873 1.00 0.00 H new ATOM 1600 N THR A 104 -14.180 -0.268 -3.665 1.00 0.00 N ATOM 1601 CA THR A 104 -14.321 0.654 -4.785 1.00 0.00 C ATOM 1602 C THR A 104 -15.777 0.770 -5.222 1.00 0.00 C ATOM 1603 O THR A 104 -16.587 -0.119 -4.960 1.00 0.00 O ATOM 1604 CB THR A 104 -13.469 0.210 -5.989 1.00 0.00 C ATOM 1605 OG1 THR A 104 -13.752 -1.155 -6.312 1.00 0.00 O ATOM 1606 CG2 THR A 104 -11.986 0.369 -5.690 1.00 0.00 C ATOM 0 H THR A 104 -13.813 -1.186 -3.918 1.00 0.00 H new ATOM 0 HA THR A 104 -13.970 1.626 -4.440 1.00 0.00 H new ATOM 0 HB THR A 104 -13.722 0.844 -6.839 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.226 -1.422 -7.095 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.404 0.049 -6.555 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.769 1.415 -5.473 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.721 -0.243 -4.828 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.103 1.871 -5.891 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.462 2.103 -6.365 1.00 0.00 C ATOM 1616 C PHE A 105 -17.821 1.131 -7.485 1.00 0.00 C ATOM 1617 O PHE A 105 -16.949 0.657 -8.212 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.615 3.544 -6.856 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.382 4.571 -5.785 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -17.883 4.383 -4.507 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.663 5.723 -6.056 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -17.671 5.326 -3.519 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.447 6.669 -5.072 1.00 0.00 C ATOM 1624 CZ PHE A 105 -16.952 6.471 -3.802 1.00 0.00 C ATOM 0 H PHE A 105 -15.444 2.616 -6.117 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.144 1.937 -5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -16.914 3.717 -7.673 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.618 3.676 -7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -18.446 3.489 -4.280 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.267 5.884 -7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.067 5.168 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.884 7.563 -5.296 1.00 0.00 H new ATOM 0 HZ PHE A 105 -16.785 7.210 -3.032 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.111 0.838 -7.616 1.00 0.00 N ATOM 1635 CA GLU A 106 -19.585 -0.078 -8.646 1.00 0.00 C ATOM 1636 C GLU A 106 -19.580 0.593 -10.016 1.00 0.00 C ATOM 1637 O GLU A 106 -19.808 1.798 -10.130 1.00 0.00 O ATOM 1638 CB GLU A 106 -20.995 -0.571 -8.312 1.00 0.00 C ATOM 1639 CG GLU A 106 -22.073 0.480 -8.524 1.00 0.00 C ATOM 1640 CD GLU A 106 -22.320 1.320 -7.286 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -22.857 0.776 -6.298 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -21.976 2.520 -7.304 1.00 0.00 O ATOM 0 H GLU A 106 -19.846 1.222 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 106 -18.907 -0.931 -8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.222 -1.442 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.019 -0.900 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.783 1.131 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -23.001 -0.011 -8.817 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.318 -0.195 -11.053 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.282 0.323 -12.417 1.00 0.00 C ATOM 1651 C LEU A 107 -20.601 0.057 -13.135 1.00 0.00 C ATOM 1652 O LEU A 107 -21.144 0.936 -13.804 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.128 -0.313 -13.194 1.00 0.00 C ATOM 1654 CG LEU A 107 -16.801 0.446 -13.165 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -15.720 -0.341 -13.891 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -16.963 1.827 -13.783 1.00 0.00 C ATOM 0 H LEU A 107 -19.127 -1.194 -10.976 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.128 1.401 -12.367 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.959 -1.315 -12.799 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.436 -0.427 -14.233 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.497 0.568 -12.125 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -14.783 0.215 -13.860 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -15.585 -1.307 -13.405 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.017 -0.495 -14.929 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.009 2.353 -13.754 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -17.290 1.726 -14.818 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.706 2.392 -13.221 1.00 0.00 H new ATOM 1668 N SER A 108 -21.113 -1.161 -12.990 1.00 0.00 N ATOM 1669 CA SER A 108 -22.369 -1.543 -13.626 1.00 0.00 C ATOM 1670 C SER A 108 -23.459 -0.516 -13.337 1.00 0.00 C ATOM 1671 O SER A 108 -24.108 -0.009 -14.251 1.00 0.00 O ATOM 1672 CB SER A 108 -22.812 -2.924 -13.139 1.00 0.00 C ATOM 1673 OG SER A 108 -23.847 -3.445 -13.954 1.00 0.00 O ATOM 0 H SER A 108 -20.678 -1.900 -12.438 1.00 0.00 H new ATOM 0 HA SER A 108 -22.206 -1.580 -14.703 1.00 0.00 H new ATOM 0 HB2 SER A 108 -21.961 -3.606 -13.146 1.00 0.00 H new ATOM 0 HB3 SER A 108 -23.157 -2.856 -12.107 1.00 0.00 H new ATOM 0 HG SER A 108 -24.111 -4.329 -13.623 1.00 0.00 H new ATOM 1679 N GLY A 109 -23.655 -0.214 -12.057 1.00 0.00 N ATOM 1680 CA GLY A 109 -24.667 0.751 -11.669 1.00 0.00 C ATOM 1681 C GLY A 109 -25.396 0.349 -10.403 1.00 0.00 C ATOM 1682 O GLY A 109 -25.163 -0.721 -9.840 1.00 0.00 O ATOM 0 H GLY A 109 -23.131 -0.620 -11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -24.199 1.724 -11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -25.387 0.863 -12.479 1.00 0.00 H new ATOM 1686 N PRO A 110 -26.302 1.221 -9.935 1.00 0.00 N ATOM 1687 CA PRO A 110 -27.086 0.973 -8.721 1.00 0.00 C ATOM 1688 C PRO A 110 -28.111 -0.141 -8.910 1.00 0.00 C ATOM 1689 O PRO A 110 -29.160 0.065 -9.520 1.00 0.00 O ATOM 1690 CB PRO A 110 -27.789 2.310 -8.474 1.00 0.00 C ATOM 1691 CG PRO A 110 -27.866 2.951 -9.816 1.00 0.00 C ATOM 1692 CD PRO A 110 -26.631 2.515 -10.555 1.00 0.00 C ATOM 0 HA PRO A 110 -26.460 0.645 -7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -28.781 2.163 -8.048 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -27.229 2.928 -7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -28.767 2.641 -10.345 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -27.905 4.037 -9.728 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -26.817 2.413 -11.624 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -25.819 3.233 -10.440 1.00 0.00 H new ATOM 1700 N SER A 111 -27.799 -1.321 -8.383 1.00 0.00 N ATOM 1701 CA SER A 111 -28.692 -2.468 -8.497 1.00 0.00 C ATOM 1702 C SER A 111 -29.845 -2.359 -7.504 1.00 0.00 C ATOM 1703 O SER A 111 -31.014 -2.368 -7.890 1.00 0.00 O ATOM 1704 CB SER A 111 -27.920 -3.767 -8.259 1.00 0.00 C ATOM 1705 OG SER A 111 -27.061 -4.056 -9.348 1.00 0.00 O ATOM 0 H SER A 111 -26.935 -1.507 -7.873 1.00 0.00 H new ATOM 0 HA SER A 111 -29.104 -2.478 -9.506 1.00 0.00 H new ATOM 0 HB2 SER A 111 -27.335 -3.684 -7.343 1.00 0.00 H new ATOM 0 HB3 SER A 111 -28.621 -4.589 -8.116 1.00 0.00 H new ATOM 0 HG SER A 111 -26.578 -4.890 -9.171 1.00 0.00 H new ATOM 1711 N SER A 112 -29.507 -2.257 -6.222 1.00 0.00 N ATOM 1712 CA SER A 112 -30.513 -2.151 -5.172 1.00 0.00 C ATOM 1713 C SER A 112 -30.589 -0.725 -4.635 1.00 0.00 C ATOM 1714 O SER A 112 -29.624 0.034 -4.718 1.00 0.00 O ATOM 1715 CB SER A 112 -30.196 -3.121 -4.033 1.00 0.00 C ATOM 1716 OG SER A 112 -30.776 -4.392 -4.269 1.00 0.00 O ATOM 0 H SER A 112 -28.544 -2.246 -5.886 1.00 0.00 H new ATOM 0 HA SER A 112 -31.480 -2.411 -5.602 1.00 0.00 H new ATOM 0 HB2 SER A 112 -29.116 -3.224 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 112 -30.569 -2.716 -3.092 1.00 0.00 H new ATOM 0 HG SER A 112 -30.557 -4.994 -3.527 1.00 0.00 H new ATOM 1722 N GLY A 113 -31.744 -0.367 -4.083 1.00 0.00 N ATOM 1723 CA GLY A 113 -31.926 0.966 -3.539 1.00 0.00 C ATOM 1724 C GLY A 113 -31.833 2.043 -4.602 1.00 0.00 C ATOM 1725 O GLY A 113 -32.672 2.942 -4.659 1.00 0.00 O ATOM 0 H GLY A 113 -32.558 -0.977 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -32.898 1.026 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -31.172 1.149 -2.774 1.00 0.00 H new TER 1729 GLY A 113