USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 786 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 32 TYR OH : rot -37:sc= -0.185 USER MOD Set 1.2: A 40 CYS SG : rot 170:sc= 0.0705 USER MOD Set 2.1: A 15 MET CE :methyl -163:sc= -0.0701 (180deg=-0.168) USER MOD Set 2.2: A 18 MET CE :methyl 160:sc= 0 (180deg=-0.0218) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.0862 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.59! X(o=-1.6!,f=-1.2) USER MOD Single : A 20 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.7) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 31 SER OG : rot -73:sc= 0.573 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -178:sc= 0.0957 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.245 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -4.12! C(o=-4.1!,f=-3.8!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0227 USER MOD Single : A 70 TYR OH : rot 24:sc= 1.03 USER MOD Single : A 72 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.3) USER MOD Single : A 78 SER OG : rot 0:sc= 1 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.886 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0427 USER MOD Single : A 90 THR OG1 : rot -12:sc= 1.27 USER MOD Single : A 96 GLN : amide:sc= 0.292 X(o=0.29,f=-0.12) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.092 -29.440 -2.219 1.00 0.00 N ATOM 2 CA GLY A 1 -22.137 -28.678 -1.560 1.00 0.00 C ATOM 3 C GLY A 1 -21.592 -27.754 -0.489 1.00 0.00 C ATOM 4 O GLY A 1 -20.778 -26.876 -0.772 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.515 -30.056 -2.942 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.419 -28.788 -2.670 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.592 -30.023 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.677 -28.090 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.856 -29.364 -1.112 1.00 0.00 H new ATOM 8 N SER A 2 -22.045 -27.951 0.746 1.00 0.00 N ATOM 9 CA SER A 2 -21.602 -27.125 1.863 1.00 0.00 C ATOM 10 C SER A 2 -20.349 -27.710 2.508 1.00 0.00 C ATOM 11 O SER A 2 -20.244 -28.921 2.699 1.00 0.00 O ATOM 12 CB SER A 2 -22.715 -27.000 2.905 1.00 0.00 C ATOM 13 OG SER A 2 -23.628 -25.974 2.555 1.00 0.00 O ATOM 0 H SER A 2 -22.718 -28.675 0.998 1.00 0.00 H new ATOM 0 HA SER A 2 -21.362 -26.134 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.245 -27.949 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.281 -26.787 3.882 1.00 0.00 H new ATOM 0 HG SER A 2 -24.331 -25.915 3.236 1.00 0.00 H new ATOM 19 N SER A 3 -19.402 -26.839 2.842 1.00 0.00 N ATOM 20 CA SER A 3 -18.154 -27.268 3.462 1.00 0.00 C ATOM 21 C SER A 3 -17.643 -26.215 4.440 1.00 0.00 C ATOM 22 O SER A 3 -17.954 -25.031 4.313 1.00 0.00 O ATOM 23 CB SER A 3 -17.096 -27.543 2.392 1.00 0.00 C ATOM 24 OG SER A 3 -17.205 -28.866 1.894 1.00 0.00 O ATOM 0 H SER A 3 -19.475 -25.833 2.694 1.00 0.00 H new ATOM 0 HA SER A 3 -18.349 -28.187 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.209 -26.833 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.102 -27.390 2.812 1.00 0.00 H new ATOM 0 HG SER A 3 -18.118 -29.193 2.032 1.00 0.00 H new ATOM 30 N GLY A 4 -16.855 -26.655 5.416 1.00 0.00 N ATOM 31 CA GLY A 4 -16.313 -25.738 6.402 1.00 0.00 C ATOM 32 C GLY A 4 -15.047 -25.055 5.925 1.00 0.00 C ATOM 33 O GLY A 4 -14.651 -25.205 4.769 1.00 0.00 O ATOM 0 H GLY A 4 -16.582 -27.630 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.062 -24.983 6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.104 -26.282 7.323 1.00 0.00 H new ATOM 37 N SER A 5 -14.411 -24.302 6.816 1.00 0.00 N ATOM 38 CA SER A 5 -13.185 -23.588 6.477 1.00 0.00 C ATOM 39 C SER A 5 -11.967 -24.493 6.643 1.00 0.00 C ATOM 40 O SER A 5 -12.001 -25.467 7.395 1.00 0.00 O ATOM 41 CB SER A 5 -13.034 -22.345 7.356 1.00 0.00 C ATOM 42 OG SER A 5 -12.579 -22.689 8.653 1.00 0.00 O ATOM 0 H SER A 5 -14.724 -24.170 7.778 1.00 0.00 H new ATOM 0 HA SER A 5 -13.249 -23.280 5.433 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.332 -21.652 6.893 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.991 -21.829 7.428 1.00 0.00 H new ATOM 0 HG SER A 5 -12.489 -21.877 9.194 1.00 0.00 H new ATOM 48 N SER A 6 -10.892 -24.163 5.934 1.00 0.00 N ATOM 49 CA SER A 6 -9.664 -24.946 5.998 1.00 0.00 C ATOM 50 C SER A 6 -8.629 -24.262 6.887 1.00 0.00 C ATOM 51 O SER A 6 -8.079 -24.873 7.802 1.00 0.00 O ATOM 52 CB SER A 6 -9.091 -25.152 4.595 1.00 0.00 C ATOM 53 OG SER A 6 -9.765 -26.199 3.918 1.00 0.00 O ATOM 0 H SER A 6 -10.847 -23.358 5.309 1.00 0.00 H new ATOM 0 HA SER A 6 -9.904 -25.917 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.180 -24.228 4.023 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.028 -25.384 4.663 1.00 0.00 H new ATOM 0 HG SER A 6 -9.382 -26.310 3.023 1.00 0.00 H new ATOM 59 N GLY A 7 -8.369 -22.988 6.609 1.00 0.00 N ATOM 60 CA GLY A 7 -7.401 -22.241 7.390 1.00 0.00 C ATOM 61 C GLY A 7 -7.415 -20.760 7.068 1.00 0.00 C ATOM 62 O GLY A 7 -8.470 -20.184 6.808 1.00 0.00 O ATOM 0 H GLY A 7 -8.812 -22.460 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.609 -22.381 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.404 -22.640 7.205 1.00 0.00 H new ATOM 66 N GLY A 8 -6.238 -20.140 7.087 1.00 0.00 N ATOM 67 CA GLY A 8 -6.142 -18.722 6.795 1.00 0.00 C ATOM 68 C GLY A 8 -4.751 -18.173 7.040 1.00 0.00 C ATOM 69 O GLY A 8 -3.954 -18.776 7.760 1.00 0.00 O ATOM 0 H GLY A 8 -5.350 -20.595 7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.420 -18.549 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.858 -18.178 7.411 1.00 0.00 H new ATOM 73 N THR A 9 -4.455 -17.025 6.438 1.00 0.00 N ATOM 74 CA THR A 9 -3.149 -16.396 6.592 1.00 0.00 C ATOM 75 C THR A 9 -3.227 -15.189 7.521 1.00 0.00 C ATOM 76 O THR A 9 -4.215 -14.456 7.519 1.00 0.00 O ATOM 77 CB THR A 9 -2.578 -15.947 5.233 1.00 0.00 C ATOM 78 OG1 THR A 9 -2.745 -16.988 4.264 1.00 0.00 O ATOM 79 CG2 THR A 9 -1.104 -15.594 5.357 1.00 0.00 C ATOM 0 H THR A 9 -5.102 -16.512 5.839 1.00 0.00 H new ATOM 0 HA THR A 9 -2.487 -17.144 7.027 1.00 0.00 H new ATOM 0 HB THR A 9 -3.122 -15.060 4.909 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.381 -16.695 3.403 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.722 -15.280 4.386 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.983 -14.782 6.074 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.548 -16.467 5.700 1.00 0.00 H new ATOM 87 N GLN A 10 -2.178 -14.990 8.313 1.00 0.00 N ATOM 88 CA GLN A 10 -2.128 -13.872 9.247 1.00 0.00 C ATOM 89 C GLN A 10 -2.802 -12.638 8.655 1.00 0.00 C ATOM 90 O GLN A 10 -3.813 -12.161 9.172 1.00 0.00 O ATOM 91 CB GLN A 10 -0.678 -13.550 9.613 1.00 0.00 C ATOM 92 CG GLN A 10 -0.151 -14.365 10.782 1.00 0.00 C ATOM 93 CD GLN A 10 1.346 -14.594 10.706 1.00 0.00 C ATOM 94 OE1 GLN A 10 1.857 -15.111 9.712 1.00 0.00 O ATOM 95 NE2 GLN A 10 2.058 -14.209 11.759 1.00 0.00 N ATOM 0 H GLN A 10 -1.352 -15.588 8.326 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.667 -14.160 10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.045 -13.726 8.743 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.600 -12.490 9.855 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.389 -13.853 11.714 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.661 -15.328 10.808 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.593 -13.785 12.562 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.070 -14.338 11.765 1.00 0.00 H new ATOM 104 N LEU A 11 -2.235 -12.124 7.569 1.00 0.00 N ATOM 105 CA LEU A 11 -2.780 -10.945 6.906 1.00 0.00 C ATOM 106 C LEU A 11 -4.252 -11.147 6.559 1.00 0.00 C ATOM 107 O LEU A 11 -5.068 -10.240 6.723 1.00 0.00 O ATOM 108 CB LEU A 11 -1.984 -10.634 5.638 1.00 0.00 C ATOM 109 CG LEU A 11 -2.310 -9.309 4.947 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.924 -8.136 5.834 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.604 -9.220 3.603 1.00 0.00 C ATOM 0 H LEU A 11 -1.398 -12.506 7.129 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.700 -10.103 7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.923 -10.638 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.146 -11.442 4.924 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.385 -9.267 4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.163 -7.202 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.477 -8.191 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.854 -8.173 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.848 -8.271 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.526 -9.284 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.931 -10.041 2.965 1.00 0.00 H new ATOM 123 N GLU A 12 -4.583 -12.342 6.081 1.00 0.00 N ATOM 124 CA GLU A 12 -5.957 -12.663 5.712 1.00 0.00 C ATOM 125 C GLU A 12 -6.887 -12.532 6.915 1.00 0.00 C ATOM 126 O GLU A 12 -8.012 -12.045 6.795 1.00 0.00 O ATOM 127 CB GLU A 12 -6.038 -14.080 5.142 1.00 0.00 C ATOM 128 CG GLU A 12 -5.849 -14.142 3.636 1.00 0.00 C ATOM 129 CD GLU A 12 -6.826 -13.255 2.888 1.00 0.00 C ATOM 130 OE1 GLU A 12 -8.048 -13.425 3.081 1.00 0.00 O ATOM 131 OE2 GLU A 12 -6.368 -12.392 2.110 1.00 0.00 O ATOM 0 H GLU A 12 -3.919 -13.104 5.940 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.277 -11.954 4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.279 -14.699 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.007 -14.510 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.830 -13.843 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.969 -15.172 3.301 1.00 0.00 H new ATOM 138 N LYS A 13 -6.411 -12.972 8.075 1.00 0.00 N ATOM 139 CA LYS A 13 -7.197 -12.905 9.301 1.00 0.00 C ATOM 140 C LYS A 13 -7.550 -11.461 9.643 1.00 0.00 C ATOM 141 O LYS A 13 -8.723 -11.085 9.660 1.00 0.00 O ATOM 142 CB LYS A 13 -6.427 -13.542 10.460 1.00 0.00 C ATOM 143 CG LYS A 13 -5.645 -14.782 10.063 1.00 0.00 C ATOM 144 CD LYS A 13 -5.487 -15.740 11.232 1.00 0.00 C ATOM 145 CE LYS A 13 -4.569 -15.168 12.301 1.00 0.00 C ATOM 146 NZ LYS A 13 -4.786 -15.817 13.624 1.00 0.00 N ATOM 0 H LYS A 13 -5.483 -13.379 8.192 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.123 -13.458 9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.738 -12.806 10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.129 -13.804 11.251 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.155 -15.288 9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.661 -14.490 9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.465 -15.951 11.665 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.085 -16.688 10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.531 -15.301 11.997 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.740 -14.095 12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.142 -15.399 14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.770 -15.669 13.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.598 -16.837 13.545 1.00 0.00 H new ATOM 160 N LEU A 14 -6.528 -10.656 9.912 1.00 0.00 N ATOM 161 CA LEU A 14 -6.731 -9.252 10.252 1.00 0.00 C ATOM 162 C LEU A 14 -7.551 -8.544 9.179 1.00 0.00 C ATOM 163 O LEU A 14 -8.593 -7.955 9.467 1.00 0.00 O ATOM 164 CB LEU A 14 -5.383 -8.549 10.425 1.00 0.00 C ATOM 165 CG LEU A 14 -5.440 -7.046 10.700 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.479 -6.778 12.197 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.251 -6.342 10.061 1.00 0.00 C ATOM 0 H LEU A 14 -5.552 -10.951 9.901 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.281 -9.208 11.192 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.849 -9.028 11.245 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.793 -8.711 9.523 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.353 -6.649 10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.519 -5.703 12.373 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.362 -7.250 12.628 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.584 -7.189 12.664 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.308 -5.273 10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.326 -6.743 10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.267 -6.506 8.983 1.00 0.00 H new ATOM 179 N MET A 15 -7.076 -8.608 7.940 1.00 0.00 N ATOM 180 CA MET A 15 -7.768 -7.976 6.822 1.00 0.00 C ATOM 181 C MET A 15 -9.248 -8.343 6.822 1.00 0.00 C ATOM 182 O MET A 15 -10.113 -7.469 6.855 1.00 0.00 O ATOM 183 CB MET A 15 -7.127 -8.392 5.497 1.00 0.00 C ATOM 184 CG MET A 15 -5.802 -7.702 5.219 1.00 0.00 C ATOM 185 SD MET A 15 -4.937 -7.227 6.729 1.00 0.00 S ATOM 186 CE MET A 15 -4.792 -5.457 6.492 1.00 0.00 C ATOM 0 H MET A 15 -6.215 -9.091 7.684 1.00 0.00 H new ATOM 0 HA MET A 15 -7.680 -6.896 6.936 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.971 -9.471 5.501 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.819 -8.173 4.684 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.166 -8.367 4.634 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.979 -6.814 4.612 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.034 -5.060 7.168 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.503 -5.250 5.462 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.750 -4.982 6.702 1.00 0.00 H new ATOM 196 N GLU A 16 -9.532 -9.642 6.785 1.00 0.00 N ATOM 197 CA GLU A 16 -10.908 -10.123 6.779 1.00 0.00 C ATOM 198 C GLU A 16 -11.762 -9.339 7.772 1.00 0.00 C ATOM 199 O GLU A 16 -12.918 -9.021 7.496 1.00 0.00 O ATOM 200 CB GLU A 16 -10.952 -11.614 7.118 1.00 0.00 C ATOM 201 CG GLU A 16 -12.329 -12.103 7.536 1.00 0.00 C ATOM 202 CD GLU A 16 -13.357 -11.965 6.430 1.00 0.00 C ATOM 203 OE1 GLU A 16 -13.503 -10.848 5.891 1.00 0.00 O ATOM 204 OE2 GLU A 16 -14.016 -12.975 6.104 1.00 0.00 O ATOM 0 H GLU A 16 -8.827 -10.379 6.759 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.314 -9.973 5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.621 -12.185 6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.244 -11.816 7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.263 -13.148 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.661 -11.540 8.408 1.00 0.00 H new ATOM 211 N ASN A 17 -11.184 -9.031 8.928 1.00 0.00 N ATOM 212 CA ASN A 17 -11.891 -8.286 9.962 1.00 0.00 C ATOM 213 C ASN A 17 -12.119 -6.840 9.531 1.00 0.00 C ATOM 214 O ASN A 17 -13.212 -6.298 9.696 1.00 0.00 O ATOM 215 CB ASN A 17 -11.104 -8.320 11.274 1.00 0.00 C ATOM 216 CG ASN A 17 -11.042 -9.712 11.874 1.00 0.00 C ATOM 217 OD1 ASN A 17 -11.994 -10.170 12.506 1.00 0.00 O ATOM 218 ND2 ASN A 17 -9.918 -10.391 11.679 1.00 0.00 N ATOM 0 H ASN A 17 -10.227 -9.286 9.172 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.861 -8.759 10.116 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.091 -7.958 11.097 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.565 -7.639 11.989 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.818 -11.332 12.060 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.154 -9.972 11.149 1.00 0.00 H new ATOM 225 N MET A 18 -11.081 -6.222 8.978 1.00 0.00 N ATOM 226 CA MET A 18 -11.169 -4.840 8.521 1.00 0.00 C ATOM 227 C MET A 18 -12.119 -4.719 7.335 1.00 0.00 C ATOM 228 O MET A 18 -13.093 -3.967 7.382 1.00 0.00 O ATOM 229 CB MET A 18 -9.783 -4.319 8.135 1.00 0.00 C ATOM 230 CG MET A 18 -9.808 -2.933 7.511 1.00 0.00 C ATOM 231 SD MET A 18 -8.186 -2.409 6.920 1.00 0.00 S ATOM 232 CE MET A 18 -8.099 -3.278 5.356 1.00 0.00 C ATOM 0 H MET A 18 -10.169 -6.656 8.835 1.00 0.00 H new ATOM 0 HA MET A 18 -11.561 -4.237 9.340 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.151 -4.298 9.023 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.324 -5.016 7.434 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.513 -2.925 6.680 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.173 -2.215 8.245 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.354 -2.804 4.717 1.00 0.00 H new ATOM 0 HE2 MET A 18 -7.818 -4.316 5.532 1.00 0.00 H new ATOM 0 HE3 MET A 18 -9.072 -3.243 4.866 1.00 0.00 H new ATOM 242 N ARG A 19 -11.830 -5.463 6.272 1.00 0.00 N ATOM 243 CA ARG A 19 -12.659 -5.437 5.073 1.00 0.00 C ATOM 244 C ARG A 19 -14.141 -5.431 5.436 1.00 0.00 C ATOM 245 O ARG A 19 -14.966 -4.880 4.708 1.00 0.00 O ATOM 246 CB ARG A 19 -12.345 -6.643 4.185 1.00 0.00 C ATOM 247 CG ARG A 19 -10.994 -6.556 3.494 1.00 0.00 C ATOM 248 CD ARG A 19 -10.708 -7.802 2.671 1.00 0.00 C ATOM 249 NE ARG A 19 -10.042 -8.837 3.459 1.00 0.00 N ATOM 250 CZ ARG A 19 -9.410 -9.875 2.923 1.00 0.00 C ATOM 251 NH1 ARG A 19 -9.358 -10.016 1.606 1.00 0.00 N ATOM 252 NH2 ARG A 19 -8.829 -10.775 3.706 1.00 0.00 N ATOM 0 H ARG A 19 -11.028 -6.091 6.217 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.434 -4.522 4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.375 -7.548 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.124 -6.740 3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.970 -5.679 2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.210 -6.424 4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.643 -8.195 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.083 -7.538 1.818 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.064 -8.758 4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.804 -9.326 1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.872 -10.814 1.197 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.868 -10.670 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.344 -11.572 3.294 1.00 0.00 H new ATOM 266 N ASN A 20 -14.470 -6.048 6.566 1.00 0.00 N ATOM 267 CA ASN A 20 -15.853 -6.114 7.025 1.00 0.00 C ATOM 268 C ASN A 20 -16.368 -4.729 7.403 1.00 0.00 C ATOM 269 O ASN A 20 -17.199 -4.151 6.702 1.00 0.00 O ATOM 270 CB ASN A 20 -15.970 -7.059 8.223 1.00 0.00 C ATOM 271 CG ASN A 20 -15.777 -8.512 7.835 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.178 -8.934 6.750 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.163 -9.285 8.723 1.00 0.00 N ATOM 0 H ASN A 20 -13.799 -6.509 7.180 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.463 -6.498 6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.228 -6.784 8.973 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.950 -6.936 8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.007 -10.272 8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.848 -8.892 9.610 1.00 0.00 H new ATOM 280 N ASP A 21 -15.868 -4.201 8.515 1.00 0.00 N ATOM 281 CA ASP A 21 -16.275 -2.883 8.987 1.00 0.00 C ATOM 282 C ASP A 21 -15.946 -1.811 7.953 1.00 0.00 C ATOM 283 O ASP A 21 -16.533 -0.728 7.958 1.00 0.00 O ATOM 284 CB ASP A 21 -15.589 -2.557 10.314 1.00 0.00 C ATOM 285 CG ASP A 21 -16.437 -1.668 11.202 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.635 -1.974 11.377 1.00 0.00 O ATOM 287 OD2 ASP A 21 -15.903 -0.667 11.722 1.00 0.00 O ATOM 0 H ASP A 21 -15.180 -4.666 9.107 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.354 -2.897 9.140 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.365 -3.484 10.841 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.637 -2.065 10.116 1.00 0.00 H new ATOM 292 N ILE A 22 -15.003 -2.118 7.069 1.00 0.00 N ATOM 293 CA ILE A 22 -14.595 -1.181 6.030 1.00 0.00 C ATOM 294 C ILE A 22 -15.546 -1.233 4.839 1.00 0.00 C ATOM 295 O ILE A 22 -15.836 -0.211 4.218 1.00 0.00 O ATOM 296 CB ILE A 22 -13.163 -1.469 5.542 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.144 -0.754 6.432 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.001 -1.039 4.092 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.134 0.748 6.253 1.00 0.00 C ATOM 0 H ILE A 22 -14.507 -3.009 7.052 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.625 -0.186 6.473 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.983 -2.542 5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.359 -0.986 7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.149 -1.144 6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.984 -1.249 3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.706 -1.589 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.197 0.030 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.388 1.188 6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.889 0.990 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.118 1.150 6.496 1.00 0.00 H new ATOM 311 N ALA A 23 -16.029 -2.431 4.527 1.00 0.00 N ATOM 312 CA ALA A 23 -16.951 -2.617 3.413 1.00 0.00 C ATOM 313 C ALA A 23 -18.381 -2.281 3.822 1.00 0.00 C ATOM 314 O ALA A 23 -19.236 -2.026 2.973 1.00 0.00 O ATOM 315 CB ALA A 23 -16.870 -4.044 2.893 1.00 0.00 C ATOM 0 H ALA A 23 -15.797 -3.288 5.030 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.659 -1.934 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.564 -4.168 2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.855 -4.250 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.133 -4.738 3.692 1.00 0.00 H new ATOM 321 N SER A 24 -18.635 -2.284 5.126 1.00 0.00 N ATOM 322 CA SER A 24 -19.963 -1.984 5.647 1.00 0.00 C ATOM 323 C SER A 24 -20.072 -0.515 6.045 1.00 0.00 C ATOM 324 O SER A 24 -21.128 0.103 5.901 1.00 0.00 O ATOM 325 CB SER A 24 -20.275 -2.874 6.852 1.00 0.00 C ATOM 326 OG SER A 24 -21.672 -3.056 7.003 1.00 0.00 O ATOM 0 H SER A 24 -17.938 -2.491 5.842 1.00 0.00 H new ATOM 0 HA SER A 24 -20.688 -2.184 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.790 -3.842 6.728 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.864 -2.425 7.756 1.00 0.00 H new ATOM 0 HG SER A 24 -21.845 -3.629 7.779 1.00 0.00 H new ATOM 332 N HIS A 25 -18.973 0.039 6.546 1.00 0.00 N ATOM 333 CA HIS A 25 -18.943 1.436 6.964 1.00 0.00 C ATOM 334 C HIS A 25 -17.724 2.150 6.387 1.00 0.00 C ATOM 335 O HIS A 25 -16.936 2.764 7.107 1.00 0.00 O ATOM 336 CB HIS A 25 -18.930 1.533 8.490 1.00 0.00 C ATOM 337 CG HIS A 25 -20.292 1.443 9.107 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.890 2.495 9.769 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.174 0.418 9.159 1.00 0.00 C ATOM 340 CE1 HIS A 25 -22.080 2.120 10.202 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.277 0.864 9.845 1.00 0.00 N ATOM 0 H HIS A 25 -18.091 -0.458 6.672 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.841 1.923 6.584 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.305 0.735 8.891 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.469 2.477 8.782 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.036 -0.567 8.739 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.774 2.736 10.754 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.112 0.314 10.046 1.00 0.00 H new ATOM 349 N PRO A 26 -17.564 2.069 5.058 1.00 0.00 N ATOM 350 CA PRO A 26 -16.443 2.701 4.355 1.00 0.00 C ATOM 351 C PRO A 26 -16.240 4.152 4.777 1.00 0.00 C ATOM 352 O PRO A 26 -17.184 4.863 5.121 1.00 0.00 O ATOM 353 CB PRO A 26 -16.859 2.625 2.884 1.00 0.00 C ATOM 354 CG PRO A 26 -17.780 1.456 2.811 1.00 0.00 C ATOM 355 CD PRO A 26 -18.465 1.354 4.139 1.00 0.00 C ATOM 0 HA PRO A 26 -15.496 2.207 4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.356 3.541 2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.994 2.489 2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.508 1.588 2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.227 0.543 2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.455 1.810 4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.600 0.315 4.440 1.00 0.00 H new ATOM 363 N PRO A 27 -14.977 4.605 4.751 1.00 0.00 N ATOM 364 CA PRO A 27 -14.620 5.976 5.126 1.00 0.00 C ATOM 365 C PRO A 27 -15.113 7.002 4.111 1.00 0.00 C ATOM 366 O PRO A 27 -15.581 6.646 3.030 1.00 0.00 O ATOM 367 CB PRO A 27 -13.090 5.948 5.158 1.00 0.00 C ATOM 368 CG PRO A 27 -12.712 4.843 4.233 1.00 0.00 C ATOM 369 CD PRO A 27 -13.801 3.813 4.352 1.00 0.00 C ATOM 0 HA PRO A 27 -15.074 6.271 6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.670 6.899 4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.718 5.765 6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.627 5.204 3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.744 4.421 4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.968 3.293 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.557 3.054 5.095 1.00 0.00 H new ATOM 377 N VAL A 28 -15.005 8.279 4.467 1.00 0.00 N ATOM 378 CA VAL A 28 -15.438 9.357 3.586 1.00 0.00 C ATOM 379 C VAL A 28 -14.333 9.748 2.612 1.00 0.00 C ATOM 380 O VAL A 28 -13.161 9.813 2.981 1.00 0.00 O ATOM 381 CB VAL A 28 -15.864 10.600 4.389 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.155 11.765 3.455 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.075 10.286 5.255 1.00 0.00 C ATOM 0 H VAL A 28 -14.621 8.592 5.359 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.296 8.984 3.026 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.042 10.887 5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.455 12.634 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.259 12.004 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.960 11.492 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.362 11.176 5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.905 9.973 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.827 9.484 5.950 1.00 0.00 H new ATOM 393 N GLU A 29 -14.715 10.010 1.366 1.00 0.00 N ATOM 394 CA GLU A 29 -13.756 10.395 0.338 1.00 0.00 C ATOM 395 C GLU A 29 -13.347 11.857 0.496 1.00 0.00 C ATOM 396 O GLU A 29 -14.141 12.765 0.251 1.00 0.00 O ATOM 397 CB GLU A 29 -14.347 10.167 -1.055 1.00 0.00 C ATOM 398 CG GLU A 29 -15.403 11.188 -1.442 1.00 0.00 C ATOM 399 CD GLU A 29 -16.327 10.685 -2.535 1.00 0.00 C ATOM 400 OE1 GLU A 29 -15.821 10.296 -3.608 1.00 0.00 O ATOM 401 OE2 GLU A 29 -17.556 10.681 -2.316 1.00 0.00 O ATOM 0 H GLU A 29 -15.682 9.963 1.044 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.869 9.772 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.543 10.192 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.785 9.170 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.993 11.446 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.914 12.102 -1.777 1.00 0.00 H new ATOM 408 N GLY A 30 -12.102 12.077 0.907 1.00 0.00 N ATOM 409 CA GLY A 30 -11.609 13.429 1.091 1.00 0.00 C ATOM 410 C GLY A 30 -11.755 13.910 2.521 1.00 0.00 C ATOM 411 O GLY A 30 -11.781 15.113 2.780 1.00 0.00 O ATOM 0 H GLY A 30 -11.426 11.342 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.559 13.472 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.150 14.103 0.427 1.00 0.00 H new ATOM 415 N SER A 31 -11.852 12.967 3.454 1.00 0.00 N ATOM 416 CA SER A 31 -12.001 13.300 4.865 1.00 0.00 C ATOM 417 C SER A 31 -10.668 13.180 5.596 1.00 0.00 C ATOM 418 O SER A 31 -10.307 14.041 6.400 1.00 0.00 O ATOM 419 CB SER A 31 -13.039 12.387 5.520 1.00 0.00 C ATOM 420 OG SER A 31 -12.756 11.023 5.257 1.00 0.00 O ATOM 0 H SER A 31 -11.830 11.966 3.257 1.00 0.00 H new ATOM 0 HA SER A 31 -12.341 14.333 4.934 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.051 12.558 6.596 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.033 12.634 5.147 1.00 0.00 H new ATOM 0 HG SER A 31 -12.968 10.819 4.322 1.00 0.00 H new ATOM 426 N TYR A 32 -9.940 12.106 5.312 1.00 0.00 N ATOM 427 CA TYR A 32 -8.647 11.870 5.944 1.00 0.00 C ATOM 428 C TYR A 32 -7.524 12.532 5.151 1.00 0.00 C ATOM 429 O TYR A 32 -7.421 12.359 3.937 1.00 0.00 O ATOM 430 CB TYR A 32 -8.383 10.368 6.067 1.00 0.00 C ATOM 431 CG TYR A 32 -6.928 10.026 6.299 1.00 0.00 C ATOM 432 CD1 TYR A 32 -6.023 10.002 5.245 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.459 9.728 7.572 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.694 9.690 5.452 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.131 9.416 7.789 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.252 9.398 6.726 1.00 0.00 C ATOM 437 OH TYR A 32 -2.928 9.087 6.936 1.00 0.00 O ATOM 0 H TYR A 32 -10.223 11.385 4.648 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.672 12.311 6.941 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.977 9.969 6.889 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.724 9.872 5.158 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.365 10.231 4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.144 9.740 8.407 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.004 9.675 4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.783 9.187 8.785 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.592 8.559 6.182 1.00 0.00 H new ATOM 447 N ALA A 33 -6.684 13.290 5.847 1.00 0.00 N ATOM 448 CA ALA A 33 -5.567 13.976 5.211 1.00 0.00 C ATOM 449 C ALA A 33 -4.273 13.185 5.372 1.00 0.00 C ATOM 450 O ALA A 33 -3.733 13.051 6.470 1.00 0.00 O ATOM 451 CB ALA A 33 -5.409 15.375 5.788 1.00 0.00 C ATOM 0 H ALA A 33 -6.756 13.445 6.853 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.782 14.057 4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.571 15.876 5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.322 15.945 5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.221 15.308 6.860 1.00 0.00 H new ATOM 457 N PRO A 34 -3.764 12.649 4.253 1.00 0.00 N ATOM 458 CA PRO A 34 -2.527 11.862 4.245 1.00 0.00 C ATOM 459 C PRO A 34 -1.293 12.717 4.514 1.00 0.00 C ATOM 460 O PRO A 34 -1.079 13.736 3.857 1.00 0.00 O ATOM 461 CB PRO A 34 -2.481 11.287 2.827 1.00 0.00 C ATOM 462 CG PRO A 34 -3.275 12.243 2.006 1.00 0.00 C ATOM 463 CD PRO A 34 -4.355 12.769 2.910 1.00 0.00 C ATOM 0 HA PRO A 34 -2.522 11.103 5.028 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.456 11.209 2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.908 10.285 2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.648 13.054 1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.703 11.747 1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.609 13.802 2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.272 12.187 2.821 1.00 0.00 H new ATOM 471 N ARG A 35 -0.486 12.297 5.482 1.00 0.00 N ATOM 472 CA ARG A 35 0.726 13.025 5.837 1.00 0.00 C ATOM 473 C ARG A 35 1.965 12.168 5.599 1.00 0.00 C ATOM 474 O ARG A 35 1.938 10.953 5.794 1.00 0.00 O ATOM 475 CB ARG A 35 0.671 13.466 7.301 1.00 0.00 C ATOM 476 CG ARG A 35 -0.574 14.265 7.650 1.00 0.00 C ATOM 477 CD ARG A 35 -0.454 15.711 7.195 1.00 0.00 C ATOM 478 NE ARG A 35 -1.708 16.442 7.356 1.00 0.00 N ATOM 479 CZ ARG A 35 -1.866 17.716 7.014 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.853 18.396 6.494 1.00 0.00 N ATOM 481 NH2 ARG A 35 -3.038 18.312 7.191 1.00 0.00 N ATOM 0 H ARG A 35 -0.650 11.456 6.035 1.00 0.00 H new ATOM 0 HA ARG A 35 0.789 13.908 5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.717 12.584 7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.553 14.067 7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.445 13.806 7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.738 14.234 8.727 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.330 16.207 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.151 15.738 6.148 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.507 15.947 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.049 17.941 6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.976 19.374 6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.819 17.792 7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.158 19.290 6.928 1.00 0.00 H new ATOM 495 N ARG A 36 3.050 12.809 5.177 1.00 0.00 N ATOM 496 CA ARG A 36 4.299 12.105 4.911 1.00 0.00 C ATOM 497 C ARG A 36 4.786 11.372 6.158 1.00 0.00 C ATOM 498 O ARG A 36 5.160 11.996 7.150 1.00 0.00 O ATOM 499 CB ARG A 36 5.370 13.087 4.432 1.00 0.00 C ATOM 500 CG ARG A 36 6.700 12.426 4.107 1.00 0.00 C ATOM 501 CD ARG A 36 7.481 13.224 3.075 1.00 0.00 C ATOM 502 NE ARG A 36 8.325 14.242 3.695 1.00 0.00 N ATOM 503 CZ ARG A 36 9.084 15.087 3.006 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.103 15.036 1.681 1.00 0.00 N ATOM 505 NH2 ARG A 36 9.825 15.986 3.642 1.00 0.00 N ATOM 0 H ARG A 36 3.089 13.815 5.012 1.00 0.00 H new ATOM 0 HA ARG A 36 4.114 11.370 4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.005 13.605 3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.528 13.843 5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.291 12.329 5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.524 11.418 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.101 12.547 2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.786 13.701 2.384 1.00 0.00 H new ATOM 0 HE ARG A 36 8.332 14.308 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.534 14.347 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.686 15.686 1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.812 16.029 4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.407 16.634 3.112 1.00 0.00 H new ATOM 519 N GLY A 37 4.778 10.044 6.098 1.00 0.00 N ATOM 520 CA GLY A 37 5.220 9.248 7.228 1.00 0.00 C ATOM 521 C GLY A 37 4.076 8.849 8.139 1.00 0.00 C ATOM 522 O GLY A 37 4.277 8.615 9.331 1.00 0.00 O ATOM 0 H GLY A 37 4.473 9.505 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.720 8.351 6.863 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.956 9.812 7.800 1.00 0.00 H new ATOM 526 N GLU A 38 2.874 8.772 7.578 1.00 0.00 N ATOM 527 CA GLU A 38 1.694 8.401 8.350 1.00 0.00 C ATOM 528 C GLU A 38 1.005 7.184 7.740 1.00 0.00 C ATOM 529 O GLU A 38 0.895 7.066 6.519 1.00 0.00 O ATOM 530 CB GLU A 38 0.713 9.574 8.420 1.00 0.00 C ATOM 531 CG GLU A 38 0.973 10.516 9.584 1.00 0.00 C ATOM 532 CD GLU A 38 0.706 9.868 10.929 1.00 0.00 C ATOM 533 OE1 GLU A 38 1.631 9.232 11.474 1.00 0.00 O ATOM 534 OE2 GLU A 38 -0.428 9.998 11.436 1.00 0.00 O ATOM 0 H GLU A 38 2.691 8.961 6.593 1.00 0.00 H new ATOM 0 HA GLU A 38 2.017 8.146 9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.766 10.138 7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.302 9.184 8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.008 10.856 9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.344 11.400 9.479 1.00 0.00 H new ATOM 541 N PHE A 39 0.543 6.280 8.598 1.00 0.00 N ATOM 542 CA PHE A 39 -0.133 5.071 8.144 1.00 0.00 C ATOM 543 C PHE A 39 -1.600 5.352 7.834 1.00 0.00 C ATOM 544 O PHE A 39 -2.202 6.265 8.402 1.00 0.00 O ATOM 545 CB PHE A 39 -0.026 3.973 9.205 1.00 0.00 C ATOM 546 CG PHE A 39 1.351 3.385 9.322 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.814 2.479 8.382 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.182 3.739 10.373 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.080 1.936 8.488 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.450 3.199 10.484 1.00 0.00 C ATOM 551 CZ PHE A 39 3.900 2.297 9.540 1.00 0.00 C ATOM 0 H PHE A 39 0.625 6.362 9.611 1.00 0.00 H new ATOM 0 HA PHE A 39 0.355 4.733 7.230 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.321 4.382 10.171 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.733 3.178 8.967 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.178 2.194 7.557 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.835 4.445 11.114 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.429 1.230 7.749 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.088 3.482 11.308 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.890 1.875 9.624 1.00 0.00 H new ATOM 561 N CYS A 40 -2.169 4.564 6.929 1.00 0.00 N ATOM 562 CA CYS A 40 -3.565 4.728 6.540 1.00 0.00 C ATOM 563 C CYS A 40 -3.997 3.623 5.582 1.00 0.00 C ATOM 564 O CYS A 40 -3.165 2.876 5.065 1.00 0.00 O ATOM 565 CB CYS A 40 -3.778 6.096 5.890 1.00 0.00 C ATOM 566 SG CYS A 40 -2.620 6.464 4.551 1.00 0.00 S ATOM 0 H CYS A 40 -1.685 3.804 6.450 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.177 4.662 7.440 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.795 6.147 5.501 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.690 6.868 6.655 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.006 7.536 3.926 1.00 0.00 H new ATOM 572 N ILE A 41 -5.301 3.523 5.351 1.00 0.00 N ATOM 573 CA ILE A 41 -5.843 2.509 4.455 1.00 0.00 C ATOM 574 C ILE A 41 -6.095 3.082 3.064 1.00 0.00 C ATOM 575 O ILE A 41 -6.650 4.171 2.922 1.00 0.00 O ATOM 576 CB ILE A 41 -7.156 1.919 5.001 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.209 3.019 5.158 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.911 1.220 6.330 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.565 2.501 5.582 1.00 0.00 C ATOM 0 H ILE A 41 -6.003 4.132 5.772 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.098 1.716 4.389 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.530 1.183 4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.859 3.743 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.312 3.550 4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.849 0.808 6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.191 0.414 6.190 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.517 1.937 7.051 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.261 3.335 5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.936 1.799 4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.477 1.995 6.543 1.00 0.00 H new ATOM 591 N ALA A 42 -5.685 2.339 2.041 1.00 0.00 N ATOM 592 CA ALA A 42 -5.870 2.771 0.661 1.00 0.00 C ATOM 593 C ALA A 42 -6.830 1.846 -0.079 1.00 0.00 C ATOM 594 O ALA A 42 -6.885 0.646 0.191 1.00 0.00 O ATOM 595 CB ALA A 42 -4.531 2.830 -0.057 1.00 0.00 C ATOM 0 H ALA A 42 -5.223 1.435 2.142 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.307 3.770 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.684 3.154 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.876 3.537 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.072 1.841 -0.052 1.00 0.00 H new ATOM 601 N LYS A 43 -7.585 2.411 -1.015 1.00 0.00 N ATOM 602 CA LYS A 43 -8.543 1.638 -1.796 1.00 0.00 C ATOM 603 C LYS A 43 -7.917 1.153 -3.100 1.00 0.00 C ATOM 604 O LYS A 43 -7.475 1.954 -3.923 1.00 0.00 O ATOM 605 CB LYS A 43 -9.785 2.479 -2.096 1.00 0.00 C ATOM 606 CG LYS A 43 -11.053 1.658 -2.253 1.00 0.00 C ATOM 607 CD LYS A 43 -12.280 2.545 -2.382 1.00 0.00 C ATOM 608 CE LYS A 43 -13.530 1.845 -1.872 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.767 2.397 -2.492 1.00 0.00 N ATOM 0 H LYS A 43 -7.552 3.403 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.835 0.768 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.927 3.201 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.616 3.049 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.969 1.022 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.169 0.998 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.124 3.467 -1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.419 2.826 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.462 0.778 -2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.589 1.950 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.597 1.894 -2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.846 3.409 -2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.723 2.274 -3.524 1.00 0.00 H new ATOM 623 N PHE A 44 -7.884 -0.163 -3.282 1.00 0.00 N ATOM 624 CA PHE A 44 -7.312 -0.754 -4.486 1.00 0.00 C ATOM 625 C PHE A 44 -8.321 -0.738 -5.631 1.00 0.00 C ATOM 626 O PHE A 44 -9.531 -0.701 -5.407 1.00 0.00 O ATOM 627 CB PHE A 44 -6.860 -2.190 -4.210 1.00 0.00 C ATOM 628 CG PHE A 44 -5.888 -2.718 -5.226 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.665 -2.098 -5.422 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.198 -3.835 -5.985 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.769 -2.582 -6.357 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.307 -4.323 -6.921 1.00 0.00 C ATOM 633 CZ PHE A 44 -4.090 -3.696 -7.107 1.00 0.00 C ATOM 0 H PHE A 44 -8.247 -0.840 -2.611 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.447 -0.158 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.401 -2.234 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.735 -2.839 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.408 -1.227 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.147 -4.330 -5.843 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.819 -2.089 -6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.561 -5.194 -7.507 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.391 -4.076 -7.837 1.00 0.00 H new ATOM 643 N VAL A 45 -7.813 -0.766 -6.859 1.00 0.00 N ATOM 644 CA VAL A 45 -8.668 -0.755 -8.040 1.00 0.00 C ATOM 645 C VAL A 45 -9.831 -1.729 -7.886 1.00 0.00 C ATOM 646 O VAL A 45 -10.863 -1.588 -8.542 1.00 0.00 O ATOM 647 CB VAL A 45 -7.875 -1.117 -9.310 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.688 -0.182 -9.484 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.418 -2.567 -9.257 1.00 0.00 C ATOM 0 H VAL A 45 -6.814 -0.796 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.057 0.258 -8.139 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.530 -0.997 -10.173 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.140 -0.454 -10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.043 0.845 -9.570 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.029 -0.266 -8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.859 -2.806 -10.162 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.779 -2.716 -8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.288 -3.220 -9.185 1.00 0.00 H new ATOM 659 N ASP A 46 -9.657 -2.715 -7.013 1.00 0.00 N ATOM 660 CA ASP A 46 -10.694 -3.712 -6.771 1.00 0.00 C ATOM 661 C ASP A 46 -11.566 -3.312 -5.585 1.00 0.00 C ATOM 662 O ASP A 46 -12.141 -4.163 -4.909 1.00 0.00 O ATOM 663 CB ASP A 46 -10.063 -5.083 -6.516 1.00 0.00 C ATOM 664 CG ASP A 46 -11.098 -6.185 -6.408 1.00 0.00 C ATOM 665 OD1 ASP A 46 -11.705 -6.533 -7.443 1.00 0.00 O ATOM 666 OD2 ASP A 46 -11.301 -6.700 -5.289 1.00 0.00 O ATOM 0 H ASP A 46 -8.809 -2.845 -6.462 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.323 -3.769 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.370 -5.317 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.479 -5.046 -5.596 1.00 0.00 H new ATOM 671 N GLY A 47 -11.659 -2.008 -5.339 1.00 0.00 N ATOM 672 CA GLY A 47 -12.462 -1.518 -4.234 1.00 0.00 C ATOM 673 C GLY A 47 -12.117 -2.193 -2.921 1.00 0.00 C ATOM 674 O GLY A 47 -12.926 -2.213 -1.995 1.00 0.00 O ATOM 0 H GLY A 47 -11.193 -1.283 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.319 -0.442 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.517 -1.680 -4.456 1.00 0.00 H new ATOM 678 N GLU A 48 -10.912 -2.749 -2.843 1.00 0.00 N ATOM 679 CA GLU A 48 -10.463 -3.431 -1.634 1.00 0.00 C ATOM 680 C GLU A 48 -9.500 -2.553 -0.840 1.00 0.00 C ATOM 681 O GLU A 48 -8.466 -2.126 -1.354 1.00 0.00 O ATOM 682 CB GLU A 48 -9.787 -4.756 -1.991 1.00 0.00 C ATOM 683 CG GLU A 48 -10.760 -5.837 -2.431 1.00 0.00 C ATOM 684 CD GLU A 48 -10.064 -7.130 -2.810 1.00 0.00 C ATOM 685 OE1 GLU A 48 -9.185 -7.093 -3.696 1.00 0.00 O ATOM 686 OE2 GLU A 48 -10.399 -8.178 -2.219 1.00 0.00 O ATOM 0 H GLU A 48 -10.230 -2.741 -3.601 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.337 -3.633 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.065 -4.582 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.227 -5.113 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.468 -6.033 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.337 -5.476 -3.282 1.00 0.00 H new ATOM 693 N TRP A 49 -9.848 -2.288 0.414 1.00 0.00 N ATOM 694 CA TRP A 49 -9.015 -1.461 1.280 1.00 0.00 C ATOM 695 C TRP A 49 -7.826 -2.255 1.811 1.00 0.00 C ATOM 696 O TRP A 49 -7.952 -3.435 2.138 1.00 0.00 O ATOM 697 CB TRP A 49 -9.840 -0.914 2.445 1.00 0.00 C ATOM 698 CG TRP A 49 -10.819 0.145 2.034 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.120 -0.041 1.662 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.573 1.553 1.952 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.698 1.166 1.354 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.770 2.160 1.525 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.460 2.360 2.200 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.882 3.535 1.339 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.573 3.725 2.016 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.776 4.302 1.590 1.00 0.00 C ATOM 0 H TRP A 49 -10.701 -2.634 0.854 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.636 -0.627 0.689 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.380 -1.735 2.915 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.166 -0.504 3.197 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.621 -0.997 1.617 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.662 1.301 1.048 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.528 1.925 2.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.808 3.981 1.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.718 4.358 2.204 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.832 5.372 1.457 1.00 0.00 H new ATOM 717 N TYR A 50 -6.674 -1.600 1.895 1.00 0.00 N ATOM 718 CA TYR A 50 -5.462 -2.245 2.385 1.00 0.00 C ATOM 719 C TYR A 50 -4.599 -1.261 3.170 1.00 0.00 C ATOM 720 O TYR A 50 -4.693 -0.048 2.981 1.00 0.00 O ATOM 721 CB TYR A 50 -4.660 -2.826 1.219 1.00 0.00 C ATOM 722 CG TYR A 50 -5.385 -3.923 0.473 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.612 -5.159 1.064 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.844 -3.722 -0.824 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.274 -6.165 0.385 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.508 -4.721 -1.509 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.720 -5.941 -0.901 1.00 0.00 C ATOM 728 OH TYR A 50 -7.380 -6.939 -1.579 1.00 0.00 O ATOM 0 H TYR A 50 -6.554 -0.622 1.630 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.757 -3.054 3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.415 -2.024 0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.716 -3.218 1.598 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.265 -5.337 2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.679 -2.769 -1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.441 -7.121 0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.859 -4.548 -2.515 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.600 -6.630 -2.483 1.00 0.00 H new ATOM 738 N ARG A 51 -3.758 -1.793 4.050 1.00 0.00 N ATOM 739 CA ARG A 51 -2.878 -0.964 4.865 1.00 0.00 C ATOM 740 C ARG A 51 -1.725 -0.413 4.031 1.00 0.00 C ATOM 741 O ARG A 51 -1.126 -1.131 3.230 1.00 0.00 O ATOM 742 CB ARG A 51 -2.330 -1.769 6.044 1.00 0.00 C ATOM 743 CG ARG A 51 -3.237 -1.756 7.264 1.00 0.00 C ATOM 744 CD ARG A 51 -2.446 -1.952 8.548 1.00 0.00 C ATOM 745 NE ARG A 51 -2.325 -3.362 8.907 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.375 -4.162 8.436 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.467 -3.692 7.591 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.331 -5.434 8.809 1.00 0.00 N ATOM 0 H ARG A 51 -3.667 -2.795 4.217 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.461 -0.126 5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.175 -2.801 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.354 -1.371 6.323 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.776 -0.810 7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.984 -2.544 7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.452 -1.521 8.430 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.933 -1.412 9.360 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.008 -3.754 9.555 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.497 -2.714 7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.262 -4.308 7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.027 -5.799 9.459 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.601 -6.047 8.446 1.00 0.00 H new ATOM 762 N ALA A 52 -1.419 0.866 4.225 1.00 0.00 N ATOM 763 CA ALA A 52 -0.337 1.512 3.492 1.00 0.00 C ATOM 764 C ALA A 52 0.184 2.731 4.246 1.00 0.00 C ATOM 765 O ALA A 52 -0.564 3.398 4.959 1.00 0.00 O ATOM 766 CB ALA A 52 -0.806 1.910 2.101 1.00 0.00 C ATOM 0 H ALA A 52 -1.905 1.475 4.883 1.00 0.00 H new ATOM 0 HA ALA A 52 0.482 0.799 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.012 2.391 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.124 1.021 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.643 2.603 2.184 1.00 0.00 H new ATOM 772 N ARG A 53 1.472 3.015 4.083 1.00 0.00 N ATOM 773 CA ARG A 53 2.094 4.153 4.749 1.00 0.00 C ATOM 774 C ARG A 53 2.449 5.244 3.744 1.00 0.00 C ATOM 775 O ARG A 53 3.155 4.997 2.766 1.00 0.00 O ATOM 776 CB ARG A 53 3.351 3.708 5.499 1.00 0.00 C ATOM 777 CG ARG A 53 3.949 4.790 6.383 1.00 0.00 C ATOM 778 CD ARG A 53 5.164 4.282 7.142 1.00 0.00 C ATOM 779 NE ARG A 53 5.707 5.292 8.046 1.00 0.00 N ATOM 780 CZ ARG A 53 6.657 5.044 8.940 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.167 3.825 9.049 1.00 0.00 N ATOM 782 NH2 ARG A 53 7.100 6.016 9.727 1.00 0.00 N ATOM 0 H ARG A 53 2.105 2.473 3.495 1.00 0.00 H new ATOM 0 HA ARG A 53 1.378 4.559 5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.109 2.841 6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.100 3.386 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.233 5.646 5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.197 5.140 7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.890 3.395 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.934 3.979 6.432 1.00 0.00 H new ATOM 0 HE ARG A 53 5.336 6.240 7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.830 3.075 8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.897 3.637 9.736 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.711 6.955 9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.830 5.824 10.413 1.00 0.00 H new ATOM 796 N VAL A 54 1.953 6.453 3.991 1.00 0.00 N ATOM 797 CA VAL A 54 2.218 7.583 3.108 1.00 0.00 C ATOM 798 C VAL A 54 3.716 7.784 2.907 1.00 0.00 C ATOM 799 O VAL A 54 4.454 8.017 3.863 1.00 0.00 O ATOM 800 CB VAL A 54 1.607 8.883 3.663 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.869 10.043 2.714 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.115 8.709 3.906 1.00 0.00 C ATOM 0 H VAL A 54 1.366 6.675 4.795 1.00 0.00 H new ATOM 0 HA VAL A 54 1.754 7.352 2.149 1.00 0.00 H new ATOM 0 HB VAL A 54 2.083 9.110 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.430 10.953 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.944 10.180 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.421 9.828 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.300 9.637 4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.380 8.458 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.045 7.907 4.627 1.00 0.00 H new ATOM 812 N GLU A 55 4.157 7.691 1.656 1.00 0.00 N ATOM 813 CA GLU A 55 5.568 7.863 1.329 1.00 0.00 C ATOM 814 C GLU A 55 5.860 9.303 0.918 1.00 0.00 C ATOM 815 O GLU A 55 6.830 9.907 1.376 1.00 0.00 O ATOM 816 CB GLU A 55 5.973 6.907 0.205 1.00 0.00 C ATOM 817 CG GLU A 55 5.711 5.445 0.525 1.00 0.00 C ATOM 818 CD GLU A 55 6.236 4.510 -0.548 1.00 0.00 C ATOM 819 OE1 GLU A 55 5.661 4.496 -1.656 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.223 3.794 -0.278 1.00 0.00 O ATOM 0 H GLU A 55 3.558 7.498 0.853 1.00 0.00 H new ATOM 0 HA GLU A 55 6.152 7.633 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.430 7.175 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.034 7.039 -0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.177 5.196 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.639 5.289 0.644 1.00 0.00 H new ATOM 827 N LYS A 56 5.013 9.847 0.051 1.00 0.00 N ATOM 828 CA LYS A 56 5.178 11.216 -0.423 1.00 0.00 C ATOM 829 C LYS A 56 3.836 11.818 -0.827 1.00 0.00 C ATOM 830 O LYS A 56 3.202 11.364 -1.780 1.00 0.00 O ATOM 831 CB LYS A 56 6.143 11.254 -1.610 1.00 0.00 C ATOM 832 CG LYS A 56 5.845 12.366 -2.602 1.00 0.00 C ATOM 833 CD LYS A 56 6.996 12.570 -3.573 1.00 0.00 C ATOM 834 CE LYS A 56 6.512 13.143 -4.896 1.00 0.00 C ATOM 835 NZ LYS A 56 7.616 13.248 -5.891 1.00 0.00 N ATOM 0 H LYS A 56 4.205 9.361 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 56 5.591 11.808 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.160 11.375 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.105 10.296 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.938 12.126 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.653 13.294 -2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.732 13.242 -3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.498 11.619 -3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.720 12.511 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.079 14.129 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.246 13.643 -6.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.361 13.871 -5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.013 12.303 -6.070 1.00 0.00 H new ATOM 849 N VAL A 57 3.407 12.842 -0.096 1.00 0.00 N ATOM 850 CA VAL A 57 2.141 13.507 -0.380 1.00 0.00 C ATOM 851 C VAL A 57 2.339 14.682 -1.331 1.00 0.00 C ATOM 852 O VAL A 57 2.913 15.705 -0.959 1.00 0.00 O ATOM 853 CB VAL A 57 1.472 14.014 0.912 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.048 14.471 0.631 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.492 12.933 1.981 1.00 0.00 C ATOM 0 H VAL A 57 3.918 13.229 0.697 1.00 0.00 H new ATOM 0 HA VAL A 57 1.493 12.768 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 57 2.037 14.870 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.409 14.826 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.063 15.279 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.531 13.636 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.016 13.308 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.951 12.057 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.524 12.658 2.201 1.00 0.00 H new ATOM 865 N GLU A 58 1.858 14.528 -2.561 1.00 0.00 N ATOM 866 CA GLU A 58 1.983 15.577 -3.566 1.00 0.00 C ATOM 867 C GLU A 58 0.790 16.527 -3.512 1.00 0.00 C ATOM 868 O GLU A 58 0.943 17.717 -3.240 1.00 0.00 O ATOM 869 CB GLU A 58 2.097 14.963 -4.964 1.00 0.00 C ATOM 870 CG GLU A 58 3.518 14.593 -5.352 1.00 0.00 C ATOM 871 CD GLU A 58 4.402 15.808 -5.558 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.334 16.412 -6.648 1.00 0.00 O ATOM 873 OE2 GLU A 58 5.161 16.155 -4.629 1.00 0.00 O ATOM 0 H GLU A 58 1.379 13.688 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 58 2.888 16.145 -3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.472 14.071 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.702 15.669 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.950 13.962 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.498 14.003 -6.268 1.00 0.00 H new ATOM 880 N SER A 59 -0.398 15.991 -3.773 1.00 0.00 N ATOM 881 CA SER A 59 -1.617 16.792 -3.759 1.00 0.00 C ATOM 882 C SER A 59 -2.829 15.930 -3.416 1.00 0.00 C ATOM 883 O SER A 59 -2.798 14.703 -3.516 1.00 0.00 O ATOM 884 CB SER A 59 -1.825 17.467 -5.115 1.00 0.00 C ATOM 885 OG SER A 59 -0.586 17.726 -5.751 1.00 0.00 O ATOM 0 H SER A 59 -0.543 15.006 -3.997 1.00 0.00 H new ATOM 0 HA SER A 59 -1.509 17.559 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.438 16.829 -5.752 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.370 18.401 -4.980 1.00 0.00 H new ATOM 0 HG SER A 59 -0.746 18.156 -6.617 1.00 0.00 H new ATOM 891 N PRO A 60 -3.923 16.586 -3.002 1.00 0.00 N ATOM 892 CA PRO A 60 -5.166 15.901 -2.636 1.00 0.00 C ATOM 893 C PRO A 60 -5.588 14.870 -3.678 1.00 0.00 C ATOM 894 O PRO A 60 -6.411 13.998 -3.403 1.00 0.00 O ATOM 895 CB PRO A 60 -6.189 17.037 -2.563 1.00 0.00 C ATOM 896 CG PRO A 60 -5.384 18.252 -2.252 1.00 0.00 C ATOM 897 CD PRO A 60 -4.030 18.048 -2.860 1.00 0.00 C ATOM 0 HA PRO A 60 -5.064 15.341 -1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.725 17.148 -3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.936 16.849 -1.792 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.859 19.144 -2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.305 18.397 -1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.945 18.550 -3.824 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.241 18.446 -2.222 1.00 0.00 H new ATOM 905 N ALA A 61 -5.019 14.977 -4.874 1.00 0.00 N ATOM 906 CA ALA A 61 -5.334 14.053 -5.956 1.00 0.00 C ATOM 907 C ALA A 61 -4.207 13.048 -6.166 1.00 0.00 C ATOM 908 O ALA A 61 -4.414 11.977 -6.737 1.00 0.00 O ATOM 909 CB ALA A 61 -5.608 14.819 -7.242 1.00 0.00 C ATOM 0 H ALA A 61 -4.337 15.695 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.231 13.500 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.842 14.116 -8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.452 15.492 -7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.726 15.399 -7.515 1.00 0.00 H new ATOM 915 N LYS A 62 -3.013 13.401 -5.702 1.00 0.00 N ATOM 916 CA LYS A 62 -1.851 12.530 -5.839 1.00 0.00 C ATOM 917 C LYS A 62 -1.171 12.315 -4.490 1.00 0.00 C ATOM 918 O LYS A 62 -0.630 13.252 -3.902 1.00 0.00 O ATOM 919 CB LYS A 62 -0.854 13.127 -6.835 1.00 0.00 C ATOM 920 CG LYS A 62 -1.375 13.176 -8.261 1.00 0.00 C ATOM 921 CD LYS A 62 -0.245 13.073 -9.271 1.00 0.00 C ATOM 922 CE LYS A 62 -0.725 12.478 -10.586 1.00 0.00 C ATOM 923 NZ LYS A 62 0.374 11.790 -11.318 1.00 0.00 N ATOM 0 H LYS A 62 -2.824 14.284 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.194 11.565 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.595 14.137 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.065 12.541 -6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.081 12.361 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.921 14.106 -8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.175 14.063 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.555 12.456 -8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.531 11.770 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.139 13.268 -11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.006 11.398 -12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.132 12.471 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.753 11.019 -10.731 1.00 0.00 H new ATOM 937 N ILE A 63 -1.201 11.077 -4.008 1.00 0.00 N ATOM 938 CA ILE A 63 -0.586 10.740 -2.731 1.00 0.00 C ATOM 939 C ILE A 63 0.226 9.454 -2.834 1.00 0.00 C ATOM 940 O ILE A 63 -0.332 8.363 -2.963 1.00 0.00 O ATOM 941 CB ILE A 63 -1.642 10.580 -1.622 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.745 11.628 -1.782 1.00 0.00 C ATOM 943 CG2 ILE A 63 -0.992 10.693 -0.251 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.335 13.011 -1.328 1.00 0.00 C ATOM 0 H ILE A 63 -1.645 10.291 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 63 0.077 11.566 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.091 9.591 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.044 11.672 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.620 11.312 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.751 10.578 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.239 9.912 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.519 11.670 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.166 13.702 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.064 12.982 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.479 13.347 -1.913 1.00 0.00 H new ATOM 956 N HIS A 64 1.547 9.587 -2.775 1.00 0.00 N ATOM 957 CA HIS A 64 2.437 8.435 -2.860 1.00 0.00 C ATOM 958 C HIS A 64 2.367 7.600 -1.585 1.00 0.00 C ATOM 959 O HIS A 64 2.592 8.107 -0.486 1.00 0.00 O ATOM 960 CB HIS A 64 3.875 8.891 -3.107 1.00 0.00 C ATOM 961 CG HIS A 64 4.035 9.726 -4.340 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.924 9.417 -5.348 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.413 10.864 -4.725 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.842 10.330 -6.299 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.932 11.219 -5.946 1.00 0.00 N ATOM 0 H HIS A 64 2.025 10.482 -2.669 1.00 0.00 H new ATOM 0 HA HIS A 64 2.112 7.817 -3.697 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.220 9.461 -2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.517 8.014 -3.186 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.547 8.610 -5.358 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.650 11.395 -4.175 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.421 10.346 -7.211 1.00 0.00 H new ATOM 973 N VAL A 65 2.054 6.317 -1.739 1.00 0.00 N ATOM 974 CA VAL A 65 1.955 5.412 -0.600 1.00 0.00 C ATOM 975 C VAL A 65 2.566 4.054 -0.923 1.00 0.00 C ATOM 976 O VAL A 65 2.959 3.792 -2.061 1.00 0.00 O ATOM 977 CB VAL A 65 0.490 5.213 -0.167 1.00 0.00 C ATOM 978 CG1 VAL A 65 -0.006 6.423 0.610 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.392 4.949 -1.378 1.00 0.00 C ATOM 0 H VAL A 65 1.865 5.881 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 65 2.509 5.871 0.218 1.00 0.00 H new ATOM 0 HB VAL A 65 0.438 4.344 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.043 6.264 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.609 6.562 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.059 7.311 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.423 4.811 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.337 5.797 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.049 4.049 -1.889 1.00 0.00 H new ATOM 989 N PHE A 66 2.644 3.191 0.084 1.00 0.00 N ATOM 990 CA PHE A 66 3.209 1.858 -0.092 1.00 0.00 C ATOM 991 C PHE A 66 2.448 0.831 0.741 1.00 0.00 C ATOM 992 O PHE A 66 2.349 0.956 1.962 1.00 0.00 O ATOM 993 CB PHE A 66 4.689 1.852 0.297 1.00 0.00 C ATOM 994 CG PHE A 66 5.248 0.474 0.506 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.756 -0.250 -0.560 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.267 -0.097 1.768 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.271 -1.519 -0.371 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.781 -1.365 1.964 1.00 0.00 C ATOM 999 CZ PHE A 66 6.284 -2.077 0.892 1.00 0.00 C ATOM 0 H PHE A 66 2.323 3.391 1.031 1.00 0.00 H new ATOM 0 HA PHE A 66 3.117 1.587 -1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.263 2.354 -0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.818 2.431 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.750 0.182 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.875 0.456 2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.663 -2.074 -1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.789 -1.798 2.953 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.687 -3.068 1.042 1.00 0.00 H new ATOM 1009 N TYR A 67 1.912 -0.184 0.073 1.00 0.00 N ATOM 1010 CA TYR A 67 1.157 -1.232 0.750 1.00 0.00 C ATOM 1011 C TYR A 67 2.070 -2.076 1.634 1.00 0.00 C ATOM 1012 O TYR A 67 2.880 -2.859 1.140 1.00 0.00 O ATOM 1013 CB TYR A 67 0.453 -2.124 -0.273 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.637 -1.416 -1.046 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.325 -0.502 -2.046 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.978 -1.661 -0.778 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.317 0.148 -2.754 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.977 -1.017 -1.482 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.641 -0.113 -2.469 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.633 0.531 -3.173 1.00 0.00 O ATOM 0 H TYR A 67 1.986 -0.304 -0.937 1.00 0.00 H new ATOM 0 HA TYR A 67 0.408 -0.755 1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.192 -2.511 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.022 -2.983 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.711 -0.297 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.244 -2.367 -0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.057 0.857 -3.526 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.015 -1.220 -1.261 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.509 0.234 -2.850 1.00 0.00 H new ATOM 1030 N ILE A 68 1.931 -1.909 2.945 1.00 0.00 N ATOM 1031 CA ILE A 68 2.741 -2.656 3.900 1.00 0.00 C ATOM 1032 C ILE A 68 2.186 -4.061 4.111 1.00 0.00 C ATOM 1033 O ILE A 68 2.566 -4.754 5.055 1.00 0.00 O ATOM 1034 CB ILE A 68 2.816 -1.936 5.259 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.516 -2.139 6.040 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.094 -0.454 5.059 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.559 -1.573 7.442 1.00 0.00 C ATOM 0 H ILE A 68 1.265 -1.263 3.370 1.00 0.00 H new ATOM 0 HA ILE A 68 3.744 -2.724 3.478 1.00 0.00 H new ATOM 0 HB ILE A 68 3.636 -2.364 5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.697 -1.672 5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.297 -3.205 6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.144 0.041 6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.043 -0.329 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.294 -0.010 4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.604 -1.753 7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.357 -2.057 8.006 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.747 -0.500 7.396 1.00 0.00 H new ATOM 1049 N ASP A 69 1.288 -4.475 3.224 1.00 0.00 N ATOM 1050 CA ASP A 69 0.682 -5.799 3.311 1.00 0.00 C ATOM 1051 C ASP A 69 1.208 -6.711 2.207 1.00 0.00 C ATOM 1052 O ASP A 69 1.309 -7.925 2.385 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.841 -5.694 3.221 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.408 -4.666 4.180 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.242 -4.843 5.405 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.019 -3.685 3.706 1.00 0.00 O ATOM 0 H ASP A 69 0.964 -3.913 2.437 1.00 0.00 H new ATOM 0 HA ASP A 69 0.952 -6.232 4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.125 -5.431 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.283 -6.668 3.434 1.00 0.00 H new ATOM 1061 N TYR A 70 1.541 -6.118 1.066 1.00 0.00 N ATOM 1062 CA TYR A 70 2.053 -6.876 -0.069 1.00 0.00 C ATOM 1063 C TYR A 70 3.479 -6.454 -0.408 1.00 0.00 C ATOM 1064 O TYR A 70 4.389 -7.281 -0.452 1.00 0.00 O ATOM 1065 CB TYR A 70 1.149 -6.683 -1.288 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.273 -7.148 -1.067 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.140 -6.434 -0.249 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.750 -8.302 -1.678 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.439 -6.856 -0.045 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.048 -8.730 -1.480 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.889 -8.004 -0.662 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.183 -8.427 -0.462 1.00 0.00 O ATOM 0 H TYR A 70 1.465 -5.114 0.903 1.00 0.00 H new ATOM 0 HA TYR A 70 2.061 -7.931 0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.139 -5.627 -1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.572 -7.225 -2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.792 -5.534 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.094 -8.873 -2.318 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.099 -6.289 0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.403 -9.628 -1.963 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.741 -7.663 -0.206 1.00 0.00 H new ATOM 1082 N GLY A 71 3.666 -5.159 -0.646 1.00 0.00 N ATOM 1083 CA GLY A 71 4.983 -4.648 -0.977 1.00 0.00 C ATOM 1084 C GLY A 71 5.006 -3.926 -2.309 1.00 0.00 C ATOM 1085 O GLY A 71 5.903 -4.141 -3.123 1.00 0.00 O ATOM 0 H GLY A 71 2.929 -4.455 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.313 -3.967 -0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.694 -5.474 -1.002 1.00 0.00 H new ATOM 1089 N ASN A 72 4.016 -3.068 -2.534 1.00 0.00 N ATOM 1090 CA ASN A 72 3.926 -2.314 -3.778 1.00 0.00 C ATOM 1091 C ASN A 72 3.566 -0.856 -3.506 1.00 0.00 C ATOM 1092 O ASN A 72 2.940 -0.539 -2.494 1.00 0.00 O ATOM 1093 CB ASN A 72 2.884 -2.943 -4.706 1.00 0.00 C ATOM 1094 CG ASN A 72 1.508 -3.005 -4.072 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.193 -3.939 -3.335 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.680 -2.007 -4.359 1.00 0.00 N ATOM 0 H ASN A 72 3.265 -2.878 -1.871 1.00 0.00 H new ATOM 0 HA ASN A 72 4.901 -2.345 -4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.830 -2.367 -5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.202 -3.950 -4.976 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.260 -1.994 -3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.984 -1.253 -4.975 1.00 0.00 H new ATOM 1103 N ARG A 73 3.966 0.026 -4.416 1.00 0.00 N ATOM 1104 CA ARG A 73 3.686 1.450 -4.273 1.00 0.00 C ATOM 1105 C ARG A 73 2.696 1.918 -5.336 1.00 0.00 C ATOM 1106 O ARG A 73 2.664 1.386 -6.445 1.00 0.00 O ATOM 1107 CB ARG A 73 4.981 2.258 -4.376 1.00 0.00 C ATOM 1108 CG ARG A 73 6.127 1.680 -3.561 1.00 0.00 C ATOM 1109 CD ARG A 73 7.475 2.024 -4.173 1.00 0.00 C ATOM 1110 NE ARG A 73 7.827 1.122 -5.267 1.00 0.00 N ATOM 1111 CZ ARG A 73 8.201 -0.140 -5.087 1.00 0.00 C ATOM 1112 NH1 ARG A 73 8.271 -0.646 -3.863 1.00 0.00 N ATOM 1113 NH2 ARG A 73 8.505 -0.898 -6.132 1.00 0.00 N ATOM 0 H ARG A 73 4.484 -0.220 -5.259 1.00 0.00 H new ATOM 0 HA ARG A 73 3.242 1.611 -3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.282 2.313 -5.422 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.790 3.279 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.080 2.064 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.020 0.597 -3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.454 3.050 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.245 1.977 -3.403 1.00 0.00 H new ATOM 0 HE ARG A 73 7.783 1.481 -6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.037 -0.066 -3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.558 -1.615 -3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.452 -0.512 -7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.792 -1.867 -5.993 1.00 0.00 H new ATOM 1127 N GLU A 74 1.891 2.917 -4.987 1.00 0.00 N ATOM 1128 CA GLU A 74 0.899 3.455 -5.911 1.00 0.00 C ATOM 1129 C GLU A 74 0.500 4.874 -5.515 1.00 0.00 C ATOM 1130 O GLU A 74 0.287 5.165 -4.338 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.339 2.556 -5.946 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.370 2.980 -6.978 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.986 2.575 -8.388 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -0.755 1.369 -8.615 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -0.915 3.463 -9.263 1.00 0.00 O ATOM 0 H GLU A 74 1.906 3.369 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 74 1.345 3.485 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.028 1.532 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.804 2.554 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.334 2.537 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.496 4.062 -6.937 1.00 0.00 H new ATOM 1142 N VAL A 75 0.401 5.753 -6.507 1.00 0.00 N ATOM 1143 CA VAL A 75 0.028 7.141 -6.264 1.00 0.00 C ATOM 1144 C VAL A 75 -1.485 7.322 -6.326 1.00 0.00 C ATOM 1145 O VAL A 75 -2.059 7.478 -7.404 1.00 0.00 O ATOM 1146 CB VAL A 75 0.689 8.088 -7.283 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.286 9.529 -7.014 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.202 7.934 -7.249 1.00 0.00 C ATOM 0 H VAL A 75 0.574 5.528 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 75 0.381 7.393 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 75 0.341 7.820 -8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.763 10.183 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.797 9.625 -7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.602 9.814 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.653 8.610 -7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.570 8.175 -6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.469 6.906 -7.496 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.125 7.302 -5.162 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.573 7.465 -5.083 1.00 0.00 C ATOM 1160 C LEU A 76 -3.937 8.779 -4.400 1.00 0.00 C ATOM 1161 O LEU A 76 -3.188 9.309 -3.579 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.197 6.293 -4.324 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.708 4.899 -4.720 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.833 3.937 -3.550 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.485 4.384 -5.923 1.00 0.00 C ATOM 0 H LEU A 76 -1.665 7.175 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.967 7.484 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.008 6.434 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.277 6.330 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.655 4.968 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.480 2.950 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.232 4.299 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.877 3.871 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.124 3.391 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.545 4.330 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.343 5.061 -6.765 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.115 9.319 -4.745 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.607 10.577 -4.175 1.00 0.00 C ATOM 1179 C PRO A 77 -5.989 10.437 -2.705 1.00 0.00 C ATOM 1180 O PRO A 77 -5.975 9.338 -2.152 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.842 10.891 -5.021 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.302 9.568 -5.527 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.059 8.743 -5.717 1.00 0.00 C ATOM 0 HA PRO A 77 -4.848 11.359 -4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.615 11.378 -4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.598 11.566 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.981 9.094 -4.818 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.846 9.677 -6.465 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.244 7.687 -5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.680 8.816 -6.737 1.00 0.00 H new ATOM 1191 N SER A 78 -6.331 11.558 -2.078 1.00 0.00 N ATOM 1192 CA SER A 78 -6.715 11.560 -0.671 1.00 0.00 C ATOM 1193 C SER A 78 -8.132 11.025 -0.494 1.00 0.00 C ATOM 1194 O SER A 78 -8.658 10.982 0.619 1.00 0.00 O ATOM 1195 CB SER A 78 -6.616 12.975 -0.096 1.00 0.00 C ATOM 1196 OG SER A 78 -7.255 13.058 1.166 1.00 0.00 O ATOM 0 H SER A 78 -6.350 12.476 -2.522 1.00 0.00 H new ATOM 0 HA SER A 78 -6.029 10.907 -0.131 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.568 13.258 0.004 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.073 13.684 -0.786 1.00 0.00 H new ATOM 0 HG SER A 78 -7.623 12.182 1.404 1.00 0.00 H new ATOM 1202 N THR A 79 -8.747 10.616 -1.599 1.00 0.00 N ATOM 1203 CA THR A 79 -10.103 10.084 -1.568 1.00 0.00 C ATOM 1204 C THR A 79 -10.102 8.593 -1.251 1.00 0.00 C ATOM 1205 O THR A 79 -10.964 8.103 -0.521 1.00 0.00 O ATOM 1206 CB THR A 79 -10.827 10.312 -2.908 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.065 9.744 -3.979 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.041 11.796 -3.163 1.00 0.00 C ATOM 0 H THR A 79 -8.326 10.643 -2.528 1.00 0.00 H new ATOM 0 HA THR A 79 -10.634 10.619 -0.781 1.00 0.00 H new ATOM 0 HB THR A 79 -11.801 9.825 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.533 9.892 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.554 11.931 -4.115 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.646 12.219 -2.361 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.076 12.302 -3.195 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.128 7.876 -1.803 1.00 0.00 N ATOM 1217 CA ARG A 80 -9.016 6.440 -1.579 1.00 0.00 C ATOM 1218 C ARG A 80 -8.323 6.150 -0.251 1.00 0.00 C ATOM 1219 O ARG A 80 -8.204 4.995 0.160 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.243 5.783 -2.724 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.346 6.537 -4.040 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.146 5.611 -5.230 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.592 6.221 -6.479 1.00 0.00 N ATOM 1224 CZ ARG A 80 -8.299 5.734 -7.680 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -7.565 4.637 -7.793 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -8.742 6.346 -8.771 1.00 0.00 N ATOM 0 H ARG A 80 -8.406 8.266 -2.408 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.022 6.023 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.193 5.702 -2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.614 4.768 -2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.322 7.016 -4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.599 7.330 -4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.091 5.348 -5.311 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.694 4.683 -5.064 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.159 7.067 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.223 4.164 -6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.342 4.266 -8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.308 7.191 -8.688 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.517 5.972 -9.693 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.868 7.205 0.416 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.186 7.064 1.698 1.00 0.00 C ATOM 1242 C LEU A 81 -8.129 7.383 2.854 1.00 0.00 C ATOM 1243 O LEU A 81 -8.891 8.347 2.798 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.965 7.983 1.752 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.945 7.811 0.626 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.909 8.924 0.669 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.271 6.450 0.720 1.00 0.00 C ATOM 0 H LEU A 81 -7.959 8.167 0.090 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.858 6.029 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.312 9.016 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.457 7.823 2.703 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.472 7.869 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.192 8.785 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.405 9.888 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.387 8.898 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.548 6.345 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.758 6.363 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.023 5.665 0.639 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.069 6.567 3.902 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.921 6.781 5.057 1.00 0.00 C ATOM 1261 C GLY A 82 -8.192 6.550 6.366 1.00 0.00 C ATOM 1262 O GLY A 82 -7.039 6.116 6.376 1.00 0.00 O ATOM 0 H GLY A 82 -7.446 5.762 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.308 7.800 5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.780 6.112 5.000 1.00 0.00 H new ATOM 1266 N THR A 83 -8.864 6.841 7.476 1.00 0.00 N ATOM 1267 CA THR A 83 -8.272 6.665 8.796 1.00 0.00 C ATOM 1268 C THR A 83 -8.171 5.189 9.161 1.00 0.00 C ATOM 1269 O THR A 83 -9.185 4.512 9.338 1.00 0.00 O ATOM 1270 CB THR A 83 -9.088 7.396 9.879 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.560 8.650 9.374 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.246 7.630 11.124 1.00 0.00 C ATOM 0 H THR A 83 -9.819 7.200 7.486 1.00 0.00 H new ATOM 0 HA THR A 83 -7.271 7.095 8.754 1.00 0.00 H new ATOM 0 HB THR A 83 -9.939 6.769 10.147 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.079 9.108 10.068 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.843 8.148 11.875 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.912 6.672 11.523 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.379 8.238 10.868 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.943 4.694 9.274 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.710 3.296 9.619 1.00 0.00 C ATOM 1282 C LEU A 84 -7.049 3.034 11.083 1.00 0.00 C ATOM 1283 O LEU A 84 -6.371 3.526 11.985 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.253 2.919 9.346 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.744 1.658 10.045 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.490 0.432 9.544 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.246 1.498 9.830 1.00 0.00 C ATOM 0 H LEU A 84 -6.093 5.240 9.132 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.361 2.680 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.127 2.790 8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.620 3.755 9.643 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.929 1.758 11.114 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.114 -0.456 10.053 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.555 0.545 9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.337 0.327 8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.900 0.596 10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.038 1.420 8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.725 2.364 10.239 1.00 0.00 H new ATOM 1299 N SER A 85 -8.100 2.253 11.311 1.00 0.00 N ATOM 1300 CA SER A 85 -8.530 1.926 12.666 1.00 0.00 C ATOM 1301 C SER A 85 -7.415 1.225 13.435 1.00 0.00 C ATOM 1302 O SER A 85 -6.635 0.451 12.880 1.00 0.00 O ATOM 1303 CB SER A 85 -9.775 1.038 12.628 1.00 0.00 C ATOM 1304 OG SER A 85 -10.140 0.614 13.930 1.00 0.00 O ATOM 0 H SER A 85 -8.670 1.835 10.575 1.00 0.00 H new ATOM 0 HA SER A 85 -8.772 2.857 13.179 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.602 1.585 12.175 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.586 0.168 11.999 1.00 0.00 H new ATOM 0 HG SER A 85 -10.939 0.049 13.878 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.336 1.502 14.745 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.321 0.909 15.620 1.00 0.00 C ATOM 1312 C PRO A 86 -6.552 -0.581 15.849 1.00 0.00 C ATOM 1313 O PRO A 86 -5.664 -1.291 16.320 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.485 1.683 16.930 1.00 0.00 C ATOM 1315 CG PRO A 86 -7.897 2.157 16.916 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.233 2.416 15.473 1.00 0.00 C ATOM 0 HA PRO A 86 -5.322 0.979 15.190 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.290 1.046 17.793 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.787 2.519 16.986 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.564 1.409 17.344 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.010 3.063 17.512 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.281 2.205 15.260 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.055 3.456 15.199 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.750 -1.048 15.513 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.096 -2.454 15.680 1.00 0.00 C ATOM 1326 C ALA A 87 -7.548 -3.294 14.532 1.00 0.00 C ATOM 1327 O ALA A 87 -7.216 -4.466 14.711 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.606 -2.617 15.782 1.00 0.00 C ATOM 0 H ALA A 87 -8.497 -0.473 15.124 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.640 -2.808 16.604 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.851 -3.672 15.906 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.975 -2.055 16.640 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.075 -2.241 14.873 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.456 -2.689 13.352 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.950 -3.383 12.174 1.00 0.00 C ATOM 1336 C PHE A 88 -5.537 -2.918 11.835 1.00 0.00 C ATOM 1337 O PHE A 88 -4.841 -3.544 11.036 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.877 -3.147 10.980 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.329 -3.364 11.296 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.767 -4.577 11.803 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.256 -2.356 11.085 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -11.103 -4.780 12.095 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.592 -2.554 11.375 1.00 0.00 C ATOM 1344 CZ PHE A 88 -12.017 -3.767 11.880 1.00 0.00 C ATOM 0 H PHE A 88 -7.725 -1.719 13.187 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.919 -4.450 12.396 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.740 -2.127 10.620 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.587 -3.813 10.168 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.057 -5.373 11.972 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.930 -1.405 10.690 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.432 -5.730 12.491 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.304 -1.760 11.207 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.061 -3.923 12.106 1.00 0.00 H new ATOM 1354 N SER A 89 -5.119 -1.815 12.449 1.00 0.00 N ATOM 1355 CA SER A 89 -3.791 -1.263 12.209 1.00 0.00 C ATOM 1356 C SER A 89 -2.722 -2.343 12.343 1.00 0.00 C ATOM 1357 O SER A 89 -2.889 -3.312 13.084 1.00 0.00 O ATOM 1358 CB SER A 89 -3.506 -0.123 13.189 1.00 0.00 C ATOM 1359 OG SER A 89 -3.492 -0.591 14.526 1.00 0.00 O ATOM 0 H SER A 89 -5.681 -1.286 13.116 1.00 0.00 H new ATOM 0 HA SER A 89 -3.764 -0.874 11.191 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.546 0.334 12.950 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.264 0.653 13.080 1.00 0.00 H new ATOM 0 HG SER A 89 -3.306 0.156 15.132 1.00 0.00 H new ATOM 1365 N THR A 90 -1.621 -2.170 11.618 1.00 0.00 N ATOM 1366 CA THR A 90 -0.524 -3.129 11.653 1.00 0.00 C ATOM 1367 C THR A 90 -0.012 -3.327 13.075 1.00 0.00 C ATOM 1368 O THR A 90 0.657 -4.317 13.372 1.00 0.00 O ATOM 1369 CB THR A 90 0.645 -2.678 10.757 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.682 -3.666 10.770 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.204 -1.343 11.228 1.00 0.00 C ATOM 0 H THR A 90 -1.466 -1.374 10.999 1.00 0.00 H new ATOM 0 HA THR A 90 -0.918 -4.073 11.277 1.00 0.00 H new ATOM 0 HB THR A 90 0.270 -2.559 9.741 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.512 -4.310 11.489 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.028 -1.045 10.580 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.420 -0.586 11.189 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.564 -1.440 12.252 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.332 -2.380 13.952 1.00 0.00 N ATOM 1380 CA ARG A 91 0.096 -2.452 15.343 1.00 0.00 C ATOM 1381 C ARG A 91 -0.207 -3.825 15.936 1.00 0.00 C ATOM 1382 O ARG A 91 0.420 -4.245 16.909 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.596 -1.365 16.168 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.321 0.045 15.671 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.669 1.085 16.724 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.027 2.370 16.458 1.00 0.00 N ATOM 1387 CZ ARG A 91 -0.485 3.251 15.576 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -1.582 2.989 14.880 1.00 0.00 N ATOM 1389 NH2 ARG A 91 0.155 4.399 15.391 1.00 0.00 N ATOM 0 H ARG A 91 -0.886 -1.555 13.723 1.00 0.00 H new ATOM 0 HA ARG A 91 1.174 -2.292 15.374 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.672 -1.542 16.157 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.271 -1.445 17.205 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.731 0.138 15.400 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.901 0.233 14.767 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.750 1.220 16.757 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.363 0.723 17.706 1.00 0.00 H new ATOM 0 HE ARG A 91 0.819 2.603 16.978 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.077 2.109 15.021 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.931 3.668 14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.999 4.605 15.926 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.197 5.076 14.714 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.172 -4.520 15.342 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.558 -5.846 15.810 1.00 0.00 C ATOM 1405 C VAL A 92 -0.926 -6.937 14.953 1.00 0.00 C ATOM 1406 O VAL A 92 -0.555 -7.999 15.454 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.088 -6.021 15.800 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.491 -7.248 16.604 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.771 -4.773 16.338 1.00 0.00 C ATOM 0 H VAL A 92 -1.701 -4.187 14.536 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.196 -5.938 16.834 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.412 -6.169 14.770 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.576 -7.355 16.585 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.031 -8.135 16.169 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.155 -7.134 17.635 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.852 -4.915 16.323 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.443 -4.591 17.361 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.509 -3.918 15.715 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.807 -6.668 13.657 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.219 -7.627 12.728 1.00 0.00 C ATOM 1421 C LEU A 93 0.977 -7.019 12.003 1.00 0.00 C ATOM 1422 O LEU A 93 0.953 -5.865 11.573 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.265 -8.089 11.712 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.932 -9.368 10.942 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.962 -10.573 11.869 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.901 -9.559 9.784 1.00 0.00 C ATOM 0 H LEU A 93 -1.110 -5.794 13.226 1.00 0.00 H new ATOM 0 HA LEU A 93 0.126 -8.487 13.302 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.209 -8.239 12.235 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.423 -7.286 10.992 1.00 0.00 H new ATOM 0 HG LEU A 93 0.075 -9.274 10.536 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.723 -11.473 11.303 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.229 -10.439 12.664 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.956 -10.672 12.305 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.650 -10.473 9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.918 -9.632 10.169 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.830 -8.709 9.106 1.00 0.00 H new ATOM 1438 N PRO A 94 2.049 -7.812 11.860 1.00 0.00 N ATOM 1439 CA PRO A 94 3.274 -7.375 11.184 1.00 0.00 C ATOM 1440 C PRO A 94 3.078 -7.205 9.682 1.00 0.00 C ATOM 1441 O PRO A 94 2.386 -7.997 9.043 1.00 0.00 O ATOM 1442 CB PRO A 94 4.261 -8.509 11.470 1.00 0.00 C ATOM 1443 CG PRO A 94 3.406 -9.707 11.700 1.00 0.00 C ATOM 1444 CD PRO A 94 2.148 -9.199 12.348 1.00 0.00 C ATOM 0 HA PRO A 94 3.610 -6.400 11.538 1.00 0.00 H new ATOM 0 HB2 PRO A 94 4.941 -8.663 10.632 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.876 -8.288 12.343 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.184 -10.214 10.761 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.911 -10.430 12.341 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.279 -9.790 12.058 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.212 -9.239 13.435 1.00 0.00 H new ATOM 1452 N ALA A 95 3.692 -6.167 9.123 1.00 0.00 N ATOM 1453 CA ALA A 95 3.586 -5.895 7.695 1.00 0.00 C ATOM 1454 C ALA A 95 4.190 -7.029 6.874 1.00 0.00 C ATOM 1455 O ALA A 95 5.376 -7.333 6.998 1.00 0.00 O ATOM 1456 CB ALA A 95 4.266 -4.577 7.357 1.00 0.00 C ATOM 0 H ALA A 95 4.268 -5.501 9.638 1.00 0.00 H new ATOM 0 HA ALA A 95 2.528 -5.821 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.179 -4.387 6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.787 -3.768 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.319 -4.630 7.632 1.00 0.00 H new ATOM 1462 N GLN A 96 3.366 -7.652 6.037 1.00 0.00 N ATOM 1463 CA GLN A 96 3.820 -8.754 5.198 1.00 0.00 C ATOM 1464 C GLN A 96 4.524 -8.233 3.950 1.00 0.00 C ATOM 1465 O GLN A 96 5.047 -9.009 3.150 1.00 0.00 O ATOM 1466 CB GLN A 96 2.638 -9.639 4.798 1.00 0.00 C ATOM 1467 CG GLN A 96 1.833 -10.150 5.982 1.00 0.00 C ATOM 1468 CD GLN A 96 2.672 -10.957 6.953 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.371 -11.892 6.560 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.607 -10.600 8.231 1.00 0.00 N ATOM 0 H GLN A 96 2.381 -7.412 5.922 1.00 0.00 H new ATOM 0 HA GLN A 96 4.531 -9.347 5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.979 -9.075 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.009 -10.490 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.389 -9.304 6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.011 -10.767 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.015 -9.819 8.513 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.149 -11.107 8.930 1.00 0.00 H new ATOM 1479 N ALA A 97 4.535 -6.914 3.789 1.00 0.00 N ATOM 1480 CA ALA A 97 5.177 -6.289 2.639 1.00 0.00 C ATOM 1481 C ALA A 97 6.562 -6.879 2.396 1.00 0.00 C ATOM 1482 O ALA A 97 7.194 -7.405 3.313 1.00 0.00 O ATOM 1483 CB ALA A 97 5.270 -4.784 2.840 1.00 0.00 C ATOM 0 H ALA A 97 4.106 -6.257 4.441 1.00 0.00 H new ATOM 0 HA ALA A 97 4.566 -6.490 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.751 -4.330 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.268 -4.370 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.857 -4.572 3.734 1.00 0.00 H new ATOM 1489 N THR A 98 7.028 -6.790 1.154 1.00 0.00 N ATOM 1490 CA THR A 98 8.338 -7.316 0.790 1.00 0.00 C ATOM 1491 C THR A 98 9.373 -6.201 0.699 1.00 0.00 C ATOM 1492 O THR A 98 10.510 -6.361 1.142 1.00 0.00 O ATOM 1493 CB THR A 98 8.288 -8.065 -0.555 1.00 0.00 C ATOM 1494 OG1 THR A 98 7.734 -9.373 -0.367 1.00 0.00 O ATOM 1495 CG2 THR A 98 9.677 -8.180 -1.162 1.00 0.00 C ATOM 0 H THR A 98 6.518 -6.359 0.383 1.00 0.00 H new ATOM 0 HA THR A 98 8.628 -8.013 1.576 1.00 0.00 H new ATOM 0 HB THR A 98 7.656 -7.498 -1.238 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.704 -9.842 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.616 -8.713 -2.111 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.084 -7.183 -1.331 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.328 -8.727 -0.480 1.00 0.00 H new ATOM 1503 N GLU A 99 8.971 -5.072 0.124 1.00 0.00 N ATOM 1504 CA GLU A 99 9.866 -3.930 -0.024 1.00 0.00 C ATOM 1505 C GLU A 99 9.776 -3.007 1.188 1.00 0.00 C ATOM 1506 O GLU A 99 10.363 -1.925 1.203 1.00 0.00 O ATOM 1507 CB GLU A 99 9.530 -3.152 -1.298 1.00 0.00 C ATOM 1508 CG GLU A 99 9.830 -3.917 -2.576 1.00 0.00 C ATOM 1509 CD GLU A 99 11.232 -3.662 -3.092 1.00 0.00 C ATOM 1510 OE1 GLU A 99 11.544 -2.496 -3.413 1.00 0.00 O ATOM 1511 OE2 GLU A 99 12.018 -4.629 -3.175 1.00 0.00 O ATOM 0 H GLU A 99 8.032 -4.924 -0.247 1.00 0.00 H new ATOM 0 HA GLU A 99 10.886 -4.308 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.473 -2.887 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.093 -2.219 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.702 -4.984 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.108 -3.635 -3.342 1.00 0.00 H new ATOM 1518 N TYR A 100 9.035 -3.442 2.201 1.00 0.00 N ATOM 1519 CA TYR A 100 8.865 -2.655 3.417 1.00 0.00 C ATOM 1520 C TYR A 100 10.194 -2.482 4.145 1.00 0.00 C ATOM 1521 O TYR A 100 10.512 -1.398 4.632 1.00 0.00 O ATOM 1522 CB TYR A 100 7.846 -3.322 4.343 1.00 0.00 C ATOM 1523 CG TYR A 100 7.830 -2.745 5.740 1.00 0.00 C ATOM 1524 CD1 TYR A 100 7.067 -1.623 6.041 1.00 0.00 C ATOM 1525 CD2 TYR A 100 8.576 -3.322 6.760 1.00 0.00 C ATOM 1526 CE1 TYR A 100 7.049 -1.092 7.316 1.00 0.00 C ATOM 1527 CE2 TYR A 100 8.564 -2.799 8.039 1.00 0.00 C ATOM 1528 CZ TYR A 100 7.799 -1.684 8.311 1.00 0.00 C ATOM 1529 OH TYR A 100 7.783 -1.159 9.583 1.00 0.00 O ATOM 0 H TYR A 100 8.542 -4.335 2.204 1.00 0.00 H new ATOM 0 HA TYR A 100 8.497 -1.669 3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.852 -3.224 3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.064 -4.388 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.478 -1.158 5.264 1.00 0.00 H new ATOM 0 HD2 TYR A 100 9.176 -4.195 6.550 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.451 -0.219 7.533 1.00 0.00 H new ATOM 0 HE2 TYR A 100 9.150 -3.260 8.820 1.00 0.00 H new ATOM 0 HH TYR A 100 8.363 -1.693 10.165 1.00 0.00 H new ATOM 1539 N ALA A 101 10.968 -3.561 4.215 1.00 0.00 N ATOM 1540 CA ALA A 101 12.264 -3.530 4.880 1.00 0.00 C ATOM 1541 C ALA A 101 13.065 -2.300 4.465 1.00 0.00 C ATOM 1542 O ALA A 101 13.761 -1.696 5.281 1.00 0.00 O ATOM 1543 CB ALA A 101 13.045 -4.799 4.575 1.00 0.00 C ATOM 0 H ALA A 101 10.719 -4.467 3.819 1.00 0.00 H new ATOM 0 HA ALA A 101 12.092 -3.473 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 101 14.011 -4.762 5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.485 -5.665 4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.200 -4.881 3.499 1.00 0.00 H new ATOM 1549 N PHE A 102 12.963 -1.936 3.191 1.00 0.00 N ATOM 1550 CA PHE A 102 13.680 -0.779 2.667 1.00 0.00 C ATOM 1551 C PHE A 102 12.762 0.437 2.585 1.00 0.00 C ATOM 1552 O PHE A 102 13.226 1.577 2.573 1.00 0.00 O ATOM 1553 CB PHE A 102 14.255 -1.093 1.284 1.00 0.00 C ATOM 1554 CG PHE A 102 15.332 -2.139 1.306 1.00 0.00 C ATOM 1555 CD1 PHE A 102 16.620 -1.817 1.703 1.00 0.00 C ATOM 1556 CD2 PHE A 102 15.058 -3.443 0.928 1.00 0.00 C ATOM 1557 CE1 PHE A 102 17.614 -2.777 1.725 1.00 0.00 C ATOM 1558 CE2 PHE A 102 16.047 -4.408 0.948 1.00 0.00 C ATOM 1559 CZ PHE A 102 17.327 -4.074 1.346 1.00 0.00 C ATOM 0 H PHE A 102 12.391 -2.425 2.503 1.00 0.00 H new ATOM 0 HA PHE A 102 14.498 -0.549 3.349 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.448 -1.427 0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.658 -0.178 0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.850 -0.804 1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.059 -3.709 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.614 -2.514 2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.820 -5.422 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 102 18.102 -4.826 1.361 1.00 0.00 H new ATOM 1569 N ALA A 103 11.459 0.186 2.529 1.00 0.00 N ATOM 1570 CA ALA A 103 10.476 1.259 2.449 1.00 0.00 C ATOM 1571 C ALA A 103 10.602 2.208 3.636 1.00 0.00 C ATOM 1572 O ALA A 103 10.453 3.421 3.493 1.00 0.00 O ATOM 1573 CB ALA A 103 9.070 0.683 2.379 1.00 0.00 C ATOM 0 H ALA A 103 11.059 -0.752 2.538 1.00 0.00 H new ATOM 0 HA ALA A 103 10.669 1.828 1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.346 1.496 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.979 0.051 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.875 0.089 3.272 1.00 0.00 H new ATOM 1579 N PHE A 104 10.878 1.647 4.810 1.00 0.00 N ATOM 1580 CA PHE A 104 11.022 2.444 6.022 1.00 0.00 C ATOM 1581 C PHE A 104 11.986 1.777 6.999 1.00 0.00 C ATOM 1582 O PHE A 104 12.566 0.734 6.699 1.00 0.00 O ATOM 1583 CB PHE A 104 9.661 2.646 6.690 1.00 0.00 C ATOM 1584 CG PHE A 104 8.724 3.508 5.893 1.00 0.00 C ATOM 1585 CD1 PHE A 104 7.976 2.969 4.859 1.00 0.00 C ATOM 1586 CD2 PHE A 104 8.591 4.858 6.177 1.00 0.00 C ATOM 1587 CE1 PHE A 104 7.114 3.760 4.123 1.00 0.00 C ATOM 1588 CE2 PHE A 104 7.731 5.654 5.445 1.00 0.00 C ATOM 1589 CZ PHE A 104 6.991 5.104 4.417 1.00 0.00 C ATOM 0 H PHE A 104 11.006 0.644 4.947 1.00 0.00 H new ATOM 0 HA PHE A 104 11.429 3.416 5.742 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.197 1.673 6.853 1.00 0.00 H new ATOM 0 HB3 PHE A 104 9.810 3.096 7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.067 1.919 4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 104 9.167 5.293 6.980 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.537 3.328 3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.638 6.705 5.676 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.317 5.724 3.844 1.00 0.00 H new TER 1599 PHE A 104