USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 919 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 107 HIS :FLIP no HD1:sc= 0.203 F(o=-0.49,f=0.27) USER MOD Set 1.2: A 109 SER OG : rot 15:sc= 0.0624 USER MOD Set 2.1: A 35 THR OG1 : rot 110:sc= -1.95 USER MOD Set 2.2: A 79 GLN :FLIP amide:sc= 0.13 F(o=-2.7,f=-1.8) USER MOD Set 3.1: A 69 ASN : amide:sc= 1.85 K(o=2.7,f=2.1) USER MOD Set 3.2: A 75 SER OG : rot 18:sc= 0.894 USER MOD Set 4.1: A 53 THR OG1 : rot -12:sc= 0.751 USER MOD Set 4.2: A 91 TYR OH : rot -83:sc= 2.16 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.163 (180deg=-0.762) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.147 (180deg=-0.0734) USER MOD Single : A 3 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.074) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.78 X(o=-0.78,f=-0.53) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-4.8e-05) USER MOD Single : A 8 HIS : no HD1:sc= -0.185 X(o=-0.19,f=-0.18) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc=0.000515 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.911 K(o=-0.91,f=-2.8) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 25 SER OG : rot -3:sc= 0.124 USER MOD Single : A 26 MET CE :methyl -156:sc= -0.227 (180deg=-0.933) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0696 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 21:sc= 0.713 USER MOD Single : A 38 TYR OH : rot 90:sc= -0.269 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= -0.0558 (180deg=-0.27) USER MOD Single : A 45 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.27) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc=-0.00186 (180deg=-0.0391) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= -1.3 (180deg=-1.77!) USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -0.157 (180deg=-0.591) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 30:sc= -0.0706 USER MOD Single : A 67 THR OG1 : rot 141:sc= -1.85! USER MOD Single : A 68 ASN : amide:sc= -3.67! C(o=-3.7!,f=-5.2!) USER MOD Single : A 73 SER OG : rot -108:sc= 0.873 USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0161) USER MOD Single : A 84 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=0.00044) USER MOD Single : A 94 LYS NZ :NH3+ 141:sc= -2.05! (180deg=-4.44!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -0.0114 (180deg=-0.158) USER MOD Single : A 99 SER OG : rot 141:sc= 0.205 USER MOD Single : A 102 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00599) USER MOD Single : A 103 LYS NZ :NH3+ 153:sc= -1.89! (180deg=-3.57!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.153 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.723-143.074 -54.061 1.00 52.12 N ATOM 2 CA MET A 1 5.653-141.993 -54.466 1.00 51.22 C ATOM 3 C MET A 1 6.310-141.380 -53.233 1.00 31.51 C ATOM 4 O MET A 1 6.102-141.849 -52.111 1.00 43.23 O ATOM 5 CB MET A 1 4.908-140.910 -55.264 1.00 33.04 C ATOM 6 CG MET A 1 4.321-141.405 -56.581 1.00 72.33 C ATOM 7 SD MET A 1 3.524-140.089 -57.528 1.00 4.50 S ATOM 8 CE MET A 1 4.913-138.993 -57.831 1.00 20.10 C ATOM 0 H1 MET A 1 4.974-143.952 -54.559 1.00 52.12 H new ATOM 0 H2 MET A 1 4.793-143.226 -53.035 1.00 52.12 H new ATOM 0 H3 MET A 1 3.749-142.804 -54.305 1.00 52.12 H new ATOM 0 HA MET A 1 6.426-142.421 -55.104 1.00 51.22 H new ATOM 0 HB2 MET A 1 4.104-140.508 -54.648 1.00 33.04 H new ATOM 0 HB3 MET A 1 5.594-140.088 -55.470 1.00 33.04 H new ATOM 0 HG2 MET A 1 5.113-141.851 -57.182 1.00 72.33 H new ATOM 0 HG3 MET A 1 3.594-142.192 -56.377 1.00 72.33 H new ATOM 0 HE1 MET A 1 4.685-138.341 -58.675 1.00 20.10 H new ATOM 0 HE2 MET A 1 5.099-138.387 -56.944 1.00 20.10 H new ATOM 0 HE3 MET A 1 5.800-139.584 -58.059 1.00 20.10 H new ATOM 20 N ALA A 2 7.110-140.337 -53.445 1.00 23.30 N ATOM 21 CA ALA A 2 7.785-139.650 -52.353 1.00 11.25 C ATOM 22 C ALA A 2 6.789-138.846 -51.517 1.00 62.11 C ATOM 23 O ALA A 2 6.644-137.634 -51.687 1.00 12.45 O ATOM 24 CB ALA A 2 8.898-138.752 -52.885 1.00 63.04 C ATOM 0 H ALA A 2 7.305-139.950 -54.368 1.00 23.30 H new ATOM 0 HA ALA A 2 8.237-140.403 -51.707 1.00 11.25 H new ATOM 0 HB1 ALA A 2 9.389-138.249 -52.052 1.00 63.04 H new ATOM 0 HB2 ALA A 2 9.627-139.357 -53.424 1.00 63.04 H new ATOM 0 HB3 ALA A 2 8.474-138.008 -53.560 1.00 63.04 H new ATOM 30 N HIS A 3 6.072-139.552 -50.652 1.00 20.45 N ATOM 31 CA HIS A 3 5.136-138.936 -49.712 1.00 41.31 C ATOM 32 C HIS A 3 5.675-139.131 -48.295 1.00 14.54 C ATOM 33 O HIS A 3 4.954-139.007 -47.304 1.00 61.24 O ATOM 34 CB HIS A 3 3.741-139.574 -49.869 1.00 23.32 C ATOM 35 CG HIS A 3 2.626-138.809 -49.209 1.00 30.41 C ATOM 36 ND1 HIS A 3 1.899-137.831 -49.859 1.00 73.03 N ATOM 37 CD2 HIS A 3 2.097-138.893 -47.963 1.00 73.32 C ATOM 38 CE1 HIS A 3 0.981-137.350 -49.042 1.00 11.32 C ATOM 39 NE2 HIS A 3 1.079-137.976 -47.888 1.00 30.43 N ATOM 0 H HIS A 3 6.121-140.568 -50.580 1.00 20.45 H new ATOM 0 HA HIS A 3 5.039-137.869 -49.914 1.00 41.31 H new ATOM 0 HB2 HIS A 3 3.518-139.672 -50.931 1.00 23.32 H new ATOM 0 HB3 HIS A 3 3.768-140.582 -49.455 1.00 23.32 H new ATOM 0 HD2 HIS A 3 2.418-139.559 -47.175 1.00 73.32 H new ATOM 0 HE1 HIS A 3 0.269-136.573 -49.280 1.00 11.32 H new ATOM 0 HE2 HIS A 3 0.493-137.807 -47.070 1.00 30.43 H new ATOM 48 N HIS A 4 6.971-139.425 -48.226 1.00 51.22 N ATOM 49 CA HIS A 4 7.644-139.752 -46.973 1.00 51.34 C ATOM 50 C HIS A 4 8.658-138.672 -46.590 1.00 0.14 C ATOM 51 O HIS A 4 9.612-138.416 -47.326 1.00 74.33 O ATOM 52 CB HIS A 4 8.363-141.101 -47.108 1.00 24.43 C ATOM 53 CG HIS A 4 9.206-141.463 -45.920 1.00 72.12 C ATOM 54 ND1 HIS A 4 10.558-141.193 -45.846 1.00 51.04 N ATOM 55 CD2 HIS A 4 8.887-142.077 -44.757 1.00 71.54 C ATOM 56 CE1 HIS A 4 11.029-141.627 -44.692 1.00 1.32 C ATOM 57 NE2 HIS A 4 10.036-142.166 -44.015 1.00 72.33 N ATOM 0 H HIS A 4 7.585-139.443 -49.040 1.00 51.22 H new ATOM 0 HA HIS A 4 6.889-139.809 -46.189 1.00 51.34 H new ATOM 0 HB2 HIS A 4 7.620-141.883 -47.266 1.00 24.43 H new ATOM 0 HB3 HIS A 4 8.995-141.077 -47.996 1.00 24.43 H new ATOM 0 HD2 HIS A 4 7.909-142.431 -44.467 1.00 71.54 H new ATOM 0 HE1 HIS A 4 12.054-141.553 -44.359 1.00 1.32 H new ATOM 0 HE2 HIS A 4 10.110-142.583 -43.087 1.00 72.33 H new ATOM 66 N HIS A 5 8.435-138.041 -45.444 1.00 1.20 N ATOM 67 CA HIS A 5 9.399-137.115 -44.854 1.00 3.11 C ATOM 68 C HIS A 5 9.573-137.440 -43.374 1.00 72.12 C ATOM 69 O HIS A 5 8.853-138.285 -42.835 1.00 25.44 O ATOM 70 CB HIS A 5 8.945-135.657 -45.040 1.00 71.20 C ATOM 71 CG HIS A 5 8.968-135.195 -46.468 1.00 35.25 C ATOM 72 ND1 HIS A 5 7.890-135.312 -47.321 1.00 61.31 N ATOM 73 CD2 HIS A 5 9.950-134.609 -47.190 1.00 64.31 C ATOM 74 CE1 HIS A 5 8.213-134.820 -48.502 1.00 14.53 C ATOM 75 NE2 HIS A 5 9.456-134.384 -48.450 1.00 10.22 N ATOM 0 H HIS A 5 7.582-138.155 -44.896 1.00 1.20 H new ATOM 0 HA HIS A 5 10.357-137.230 -45.362 1.00 3.11 H new ATOM 0 HB2 HIS A 5 7.934-135.548 -44.648 1.00 71.20 H new ATOM 0 HB3 HIS A 5 9.588-135.007 -44.447 1.00 71.20 H new ATOM 0 HD2 HIS A 5 10.941-134.363 -46.839 1.00 64.31 H new ATOM 0 HE1 HIS A 5 7.567-134.781 -49.367 1.00 14.53 H new ATOM 0 HE2 HIS A 5 9.966-133.951 -49.220 1.00 10.22 H new ATOM 84 N HIS A 6 10.532-136.783 -42.728 1.00 74.41 N ATOM 85 CA HIS A 6 10.840-137.048 -41.323 1.00 62.44 C ATOM 86 C HIS A 6 9.624-136.768 -40.429 1.00 42.35 C ATOM 87 O HIS A 6 9.340-135.622 -40.077 1.00 32.12 O ATOM 88 CB HIS A 6 12.064-136.229 -40.864 1.00 4.33 C ATOM 89 CG HIS A 6 11.866-134.736 -40.850 1.00 54.12 C ATOM 90 ND1 HIS A 6 12.294-133.934 -39.813 1.00 25.22 N ATOM 91 CD2 HIS A 6 11.292-133.900 -41.752 1.00 51.05 C ATOM 92 CE1 HIS A 6 11.989-132.679 -40.074 1.00 34.00 C ATOM 93 NE2 HIS A 6 11.381-132.628 -41.243 1.00 2.42 N ATOM 0 H HIS A 6 11.112-136.061 -43.155 1.00 74.41 H new ATOM 0 HA HIS A 6 11.087-138.105 -41.228 1.00 62.44 H new ATOM 0 HB2 HIS A 6 12.342-136.552 -39.861 1.00 4.33 H new ATOM 0 HB3 HIS A 6 12.904-136.462 -41.519 1.00 4.33 H new ATOM 0 HD2 HIS A 6 10.848-134.183 -42.695 1.00 51.05 H new ATOM 0 HE1 HIS A 6 12.202-131.833 -39.437 1.00 34.00 H new ATOM 0 HE2 HIS A 6 11.034-131.782 -41.695 1.00 2.42 H new ATOM 102 N HIS A 7 8.894-137.825 -40.080 1.00 3.41 N ATOM 103 CA HIS A 7 7.693-137.697 -39.256 1.00 22.42 C ATOM 104 C HIS A 7 8.049-137.744 -37.774 1.00 74.24 C ATOM 105 O HIS A 7 7.663-138.666 -37.053 1.00 22.25 O ATOM 106 CB HIS A 7 6.674-138.798 -39.595 1.00 14.31 C ATOM 107 CG HIS A 7 6.108-138.701 -40.982 1.00 52.42 C ATOM 108 ND1 HIS A 7 6.019-139.779 -41.837 1.00 2.02 N ATOM 109 CD2 HIS A 7 5.577-137.650 -41.654 1.00 55.24 C ATOM 110 CE1 HIS A 7 5.463-139.398 -42.970 1.00 30.14 C ATOM 111 NE2 HIS A 7 5.187-138.113 -42.886 1.00 45.03 N ATOM 0 H HIS A 7 9.113-138.782 -40.356 1.00 3.41 H new ATOM 0 HA HIS A 7 7.238-136.731 -39.474 1.00 22.42 H new ATOM 0 HB2 HIS A 7 7.152-139.770 -39.476 1.00 14.31 H new ATOM 0 HB3 HIS A 7 5.856-138.755 -38.876 1.00 14.31 H new ATOM 0 HD2 HIS A 7 5.479-136.638 -41.289 1.00 55.24 H new ATOM 0 HE1 HIS A 7 5.267-140.032 -43.822 1.00 30.14 H new ATOM 0 HE2 HIS A 7 4.753-137.552 -43.619 1.00 45.03 H new ATOM 120 N HIS A 8 8.816-136.752 -37.337 1.00 1.42 N ATOM 121 CA HIS A 8 9.195-136.602 -35.932 1.00 40.41 C ATOM 122 C HIS A 8 9.518-135.139 -35.640 1.00 31.21 C ATOM 123 O HIS A 8 10.599-134.658 -35.979 1.00 1.54 O ATOM 124 CB HIS A 8 10.397-137.499 -35.567 1.00 5.14 C ATOM 125 CG HIS A 8 10.032-138.928 -35.277 1.00 51.02 C ATOM 126 ND1 HIS A 8 10.534-140.002 -35.983 1.00 43.10 N ATOM 127 CD2 HIS A 8 9.210-139.454 -34.337 1.00 71.51 C ATOM 128 CE1 HIS A 8 10.035-141.121 -35.489 1.00 10.51 C ATOM 129 NE2 HIS A 8 9.231-140.817 -34.491 1.00 62.52 N ATOM 0 H HIS A 8 9.195-136.026 -37.946 1.00 1.42 H new ATOM 0 HA HIS A 8 8.352-136.919 -35.318 1.00 40.41 H new ATOM 0 HB2 HIS A 8 11.114-137.478 -36.387 1.00 5.14 H new ATOM 0 HB3 HIS A 8 10.898-137.079 -34.695 1.00 5.14 H new ATOM 0 HD2 HIS A 8 8.643-138.902 -33.602 1.00 71.51 H new ATOM 0 HE1 HIS A 8 10.250-142.118 -35.844 1.00 10.51 H new ATOM 0 HE2 HIS A 8 8.709-141.486 -33.925 1.00 62.52 H new ATOM 138 N MET A 9 8.564-134.435 -35.037 1.00 32.43 N ATOM 139 CA MET A 9 8.737-133.020 -34.715 1.00 63.23 C ATOM 140 C MET A 9 9.747-132.850 -33.582 1.00 31.31 C ATOM 141 O MET A 9 10.742-132.141 -33.726 1.00 61.42 O ATOM 142 CB MET A 9 7.390-132.385 -34.330 1.00 35.41 C ATOM 143 CG MET A 9 7.481-130.899 -33.994 1.00 51.11 C ATOM 144 SD MET A 9 5.886-130.190 -33.527 1.00 3.44 S ATOM 145 CE MET A 9 6.358-128.501 -33.154 1.00 24.31 C ATOM 0 H MET A 9 7.661-134.821 -34.761 1.00 32.43 H new ATOM 0 HA MET A 9 9.119-132.511 -35.600 1.00 63.23 H new ATOM 0 HB2 MET A 9 6.688-132.519 -35.153 1.00 35.41 H new ATOM 0 HB3 MET A 9 6.981-132.917 -33.471 1.00 35.41 H new ATOM 0 HG2 MET A 9 8.189-130.758 -33.178 1.00 51.11 H new ATOM 0 HG3 MET A 9 7.876-130.360 -34.855 1.00 51.11 H new ATOM 0 HE1 MET A 9 5.477-127.936 -32.849 1.00 24.31 H new ATOM 0 HE2 MET A 9 7.089-128.498 -32.345 1.00 24.31 H new ATOM 0 HE3 MET A 9 6.795-128.041 -34.040 1.00 24.31 H new ATOM 155 N GLY A 10 9.485-133.518 -32.461 1.00 41.12 N ATOM 156 CA GLY A 10 10.378-133.443 -31.319 1.00 0.44 C ATOM 157 C GLY A 10 10.200-132.159 -30.530 1.00 11.55 C ATOM 158 O GLY A 10 10.485-131.066 -31.029 1.00 74.43 O ATOM 0 H GLY A 10 8.667-134.112 -32.324 1.00 41.12 H new ATOM 0 HA2 GLY A 10 10.199-134.296 -30.665 1.00 0.44 H new ATOM 0 HA3 GLY A 10 11.410-133.515 -31.663 1.00 0.44 H new ATOM 162 N THR A 11 9.720-132.285 -29.301 1.00 73.24 N ATOM 163 CA THR A 11 9.513-131.135 -28.434 1.00 53.21 C ATOM 164 C THR A 11 10.837-130.674 -27.824 1.00 62.12 C ATOM 165 O THR A 11 11.664-131.497 -27.420 1.00 32.23 O ATOM 166 CB THR A 11 8.508-131.466 -27.303 1.00 24.22 C ATOM 167 OG1 THR A 11 8.913-132.661 -26.617 1.00 5.43 O ATOM 168 CG2 THR A 11 7.099-131.655 -27.856 1.00 21.21 C ATOM 0 H THR A 11 9.465-133.179 -28.880 1.00 73.24 H new ATOM 0 HA THR A 11 9.102-130.331 -29.044 1.00 53.21 H new ATOM 0 HB THR A 11 8.500-130.627 -26.607 1.00 24.22 H new ATOM 0 HG1 THR A 11 8.273-132.861 -25.903 1.00 5.43 H new ATOM 0 HG21 THR A 11 6.415-131.886 -27.039 1.00 21.21 H new ATOM 0 HG22 THR A 11 6.776-130.739 -28.351 1.00 21.21 H new ATOM 0 HG23 THR A 11 7.097-132.475 -28.574 1.00 21.21 H new ATOM 176 N LEU A 12 11.046-129.362 -27.788 1.00 73.43 N ATOM 177 CA LEU A 12 12.222-128.788 -27.146 1.00 60.44 C ATOM 178 C LEU A 12 11.872-128.444 -25.700 1.00 2.34 C ATOM 179 O LEU A 12 10.937-127.676 -25.447 1.00 43.41 O ATOM 180 CB LEU A 12 12.702-127.542 -27.925 1.00 50.00 C ATOM 181 CG LEU A 12 14.096-126.982 -27.549 1.00 32.44 C ATOM 182 CD1 LEU A 12 14.072-126.237 -26.214 1.00 40.14 C ATOM 183 CD2 LEU A 12 15.136-128.102 -27.514 1.00 54.24 C ATOM 0 H LEU A 12 10.414-128.675 -28.198 1.00 73.43 H new ATOM 0 HA LEU A 12 13.041-129.507 -27.149 1.00 60.44 H new ATOM 0 HB2 LEU A 12 12.709-127.786 -28.987 1.00 50.00 H new ATOM 0 HB3 LEU A 12 11.967-126.749 -27.785 1.00 50.00 H new ATOM 0 HG LEU A 12 14.374-126.265 -28.321 1.00 32.44 H new ATOM 0 HD11 LEU A 12 15.070-125.861 -25.989 1.00 40.14 H new ATOM 0 HD12 LEU A 12 13.375-125.401 -26.276 1.00 40.14 H new ATOM 0 HD13 LEU A 12 13.754-126.917 -25.424 1.00 40.14 H new ATOM 0 HD21 LEU A 12 16.108-127.687 -27.248 1.00 54.24 H new ATOM 0 HD22 LEU A 12 14.844-128.847 -26.773 1.00 54.24 H new ATOM 0 HD23 LEU A 12 15.198-128.572 -28.496 1.00 54.24 H new ATOM 195 N GLU A 13 12.597-129.036 -24.761 1.00 52.03 N ATOM 196 CA GLU A 13 12.347-128.820 -23.341 1.00 22.25 C ATOM 197 C GLU A 13 13.430-127.922 -22.745 1.00 62.32 C ATOM 198 O GLU A 13 14.594-127.978 -23.157 1.00 2.42 O ATOM 199 CB GLU A 13 12.298-130.169 -22.609 1.00 51.21 C ATOM 200 CG GLU A 13 11.857-130.072 -21.151 1.00 55.21 C ATOM 201 CD GLU A 13 11.721-131.436 -20.491 1.00 31.33 C ATOM 202 OE1 GLU A 13 10.675-132.094 -20.685 1.00 45.33 O ATOM 203 OE2 GLU A 13 12.660-131.862 -19.786 1.00 54.41 O ATOM 0 H GLU A 13 13.368-129.674 -24.958 1.00 52.03 H new ATOM 0 HA GLU A 13 11.385-128.322 -23.219 1.00 22.25 H new ATOM 0 HB2 GLU A 13 11.616-130.834 -23.140 1.00 51.21 H new ATOM 0 HB3 GLU A 13 13.286-130.628 -22.649 1.00 51.21 H new ATOM 0 HG2 GLU A 13 12.579-129.474 -20.595 1.00 55.21 H new ATOM 0 HG3 GLU A 13 10.902-129.549 -21.098 1.00 55.21 H new ATOM 210 N ALA A 14 13.036-127.088 -21.790 1.00 75.13 N ATOM 211 CA ALA A 14 13.953-126.161 -21.136 1.00 74.41 C ATOM 212 C ALA A 14 13.781-126.230 -19.622 1.00 5.34 C ATOM 213 O ALA A 14 12.744-126.683 -19.131 1.00 31.41 O ATOM 214 CB ALA A 14 13.718-124.743 -21.645 1.00 21.45 C ATOM 0 H ALA A 14 12.077-127.035 -21.448 1.00 75.13 H new ATOM 0 HA ALA A 14 14.977-126.446 -21.377 1.00 74.41 H new ATOM 0 HB1 ALA A 14 14.408-124.060 -21.150 1.00 21.45 H new ATOM 0 HB2 ALA A 14 13.885-124.711 -22.722 1.00 21.45 H new ATOM 0 HB3 ALA A 14 12.693-124.444 -21.428 1.00 21.45 H new ATOM 220 N GLN A 15 14.794-125.784 -18.891 1.00 73.23 N ATOM 221 CA GLN A 15 14.790-125.845 -17.430 1.00 10.44 C ATOM 222 C GLN A 15 14.169-124.588 -16.815 1.00 33.22 C ATOM 223 O GLN A 15 13.691-123.697 -17.522 1.00 53.33 O ATOM 224 CB GLN A 15 16.224-126.020 -16.911 1.00 53.15 C ATOM 225 CG GLN A 15 16.898-127.310 -17.369 1.00 42.52 C ATOM 226 CD GLN A 15 18.317-127.446 -16.840 1.00 12.50 C ATOM 227 OE1 GLN A 15 18.642-126.937 -15.766 1.00 73.33 O ATOM 228 NE2 GLN A 15 19.169-128.135 -17.581 1.00 64.32 N ATOM 0 H GLN A 15 15.638-125.372 -19.288 1.00 73.23 H new ATOM 0 HA GLN A 15 14.183-126.700 -17.134 1.00 10.44 H new ATOM 0 HB2 GLN A 15 16.824-125.172 -17.240 1.00 53.15 H new ATOM 0 HB3 GLN A 15 16.210-125.997 -15.821 1.00 53.15 H new ATOM 0 HG2 GLN A 15 16.307-128.163 -17.036 1.00 42.52 H new ATOM 0 HG3 GLN A 15 16.916-127.340 -18.458 1.00 42.52 H new ATOM 0 HE21 GLN A 15 18.863-128.542 -18.465 1.00 64.32 H new ATOM 0 HE22 GLN A 15 20.132-128.259 -17.268 1.00 64.32 H new ATOM 237 N THR A 16 14.168-124.542 -15.485 1.00 2.53 N ATOM 238 CA THR A 16 13.710-123.384 -14.727 1.00 64.02 C ATOM 239 C THR A 16 14.523-123.276 -13.436 1.00 10.20 C ATOM 240 O THR A 16 14.737-124.279 -12.753 1.00 24.02 O ATOM 241 CB THR A 16 12.200-123.488 -14.389 1.00 64.03 C ATOM 242 OG1 THR A 16 11.437-123.645 -15.597 1.00 72.31 O ATOM 243 CG2 THR A 16 11.712-122.251 -13.640 1.00 44.12 C ATOM 0 H THR A 16 14.488-125.314 -14.900 1.00 2.53 H new ATOM 0 HA THR A 16 13.854-122.493 -15.338 1.00 64.02 H new ATOM 0 HB THR A 16 12.061-124.358 -13.747 1.00 64.03 H new ATOM 0 HG1 THR A 16 10.485-123.712 -15.376 1.00 72.31 H new ATOM 0 HG21 THR A 16 10.650-122.355 -13.418 1.00 44.12 H new ATOM 0 HG22 THR A 16 12.269-122.146 -12.709 1.00 44.12 H new ATOM 0 HG23 THR A 16 11.868-121.367 -14.258 1.00 44.12 H new ATOM 251 N GLN A 17 14.996-122.073 -13.122 1.00 71.03 N ATOM 252 CA GLN A 17 15.834-121.857 -11.944 1.00 43.41 C ATOM 253 C GLN A 17 14.988-121.443 -10.741 1.00 71.34 C ATOM 254 O GLN A 17 13.782-121.208 -10.865 1.00 24.31 O ATOM 255 CB GLN A 17 16.906-120.788 -12.225 1.00 10.42 C ATOM 256 CG GLN A 17 17.842-121.124 -13.386 1.00 13.32 C ATOM 257 CD GLN A 17 17.171-121.028 -14.749 1.00 52.11 C ATOM 258 OE1 GLN A 17 16.260-120.222 -14.955 1.00 64.41 O ATOM 259 NE2 GLN A 17 17.605-121.856 -15.684 1.00 14.45 N ATOM 0 H GLN A 17 14.813-121.231 -13.668 1.00 71.03 H new ATOM 0 HA GLN A 17 16.331-122.799 -11.712 1.00 43.41 H new ATOM 0 HB2 GLN A 17 16.410-119.840 -12.436 1.00 10.42 H new ATOM 0 HB3 GLN A 17 17.502-120.642 -11.324 1.00 10.42 H new ATOM 0 HG2 GLN A 17 18.697-120.448 -13.361 1.00 13.32 H new ATOM 0 HG3 GLN A 17 18.230-122.134 -13.250 1.00 13.32 H new ATOM 0 HE21 GLN A 17 18.361-122.509 -15.476 1.00 14.45 H new ATOM 0 HE22 GLN A 17 17.184-121.842 -16.613 1.00 14.45 H new ATOM 268 N GLY A 18 15.632-121.362 -9.582 1.00 1.13 N ATOM 269 CA GLY A 18 14.955-120.952 -8.363 1.00 52.34 C ATOM 270 C GLY A 18 15.457-119.611 -7.853 1.00 34.32 C ATOM 271 O GLY A 18 16.402-119.048 -8.415 1.00 71.43 O ATOM 0 H GLY A 18 16.622-121.575 -9.464 1.00 1.13 H new ATOM 0 HA2 GLY A 18 13.883-120.891 -8.548 1.00 52.34 H new ATOM 0 HA3 GLY A 18 15.103-121.710 -7.594 1.00 52.34 H new ATOM 275 N PRO A 19 14.837-119.067 -6.789 1.00 11.21 N ATOM 276 CA PRO A 19 15.232-117.772 -6.219 1.00 44.43 C ATOM 277 C PRO A 19 16.617-117.822 -5.558 1.00 61.53 C ATOM 278 O PRO A 19 17.584-117.280 -6.095 1.00 33.10 O ATOM 279 CB PRO A 19 14.127-117.476 -5.192 1.00 34.13 C ATOM 280 CG PRO A 19 13.566-118.814 -4.833 1.00 11.35 C ATOM 281 CD PRO A 19 13.695-119.668 -6.069 1.00 74.15 C ATOM 0 HA PRO A 19 15.324-116.998 -6.981 1.00 44.43 H new ATOM 0 HB2 PRO A 19 14.529-116.968 -4.315 1.00 34.13 H new ATOM 0 HB3 PRO A 19 13.360-116.826 -5.613 1.00 34.13 H new ATOM 0 HG2 PRO A 19 14.111-119.253 -3.997 1.00 11.35 H new ATOM 0 HG3 PRO A 19 12.524-118.730 -4.525 1.00 11.35 H new ATOM 0 HD2 PRO A 19 13.884-120.712 -5.817 1.00 74.15 H new ATOM 0 HD3 PRO A 19 12.785-119.645 -6.669 1.00 74.15 H new ATOM 289 N GLY A 20 16.705-118.479 -4.398 1.00 53.25 N ATOM 290 CA GLY A 20 17.971-118.603 -3.689 1.00 63.03 C ATOM 291 C GLY A 20 18.581-117.258 -3.327 1.00 10.53 C ATOM 292 O GLY A 20 19.795-117.141 -3.174 1.00 74.25 O ATOM 0 H GLY A 20 15.915-118.930 -3.936 1.00 53.25 H new ATOM 0 HA2 GLY A 20 17.817-119.183 -2.779 1.00 63.03 H new ATOM 0 HA3 GLY A 20 18.675-119.161 -4.307 1.00 63.03 H new ATOM 296 N SER A 21 17.730-116.249 -3.174 1.00 73.15 N ATOM 297 CA SER A 21 18.177-114.881 -2.923 1.00 14.22 C ATOM 298 C SER A 21 18.300-114.594 -1.423 1.00 10.43 C ATOM 299 O SER A 21 18.842-113.558 -1.022 1.00 10.21 O ATOM 300 CB SER A 21 17.197-113.904 -3.581 1.00 12.32 C ATOM 301 OG SER A 21 15.853-114.248 -3.268 1.00 22.03 O ATOM 0 H SER A 21 16.716-116.354 -3.220 1.00 73.15 H new ATOM 0 HA SER A 21 19.169-114.753 -3.356 1.00 14.22 H new ATOM 0 HB2 SER A 21 17.406-112.889 -3.242 1.00 12.32 H new ATOM 0 HB3 SER A 21 17.337-113.914 -4.662 1.00 12.32 H new ATOM 0 HG SER A 21 15.244-113.611 -3.696 1.00 22.03 H new ATOM 307 N MET A 22 17.799-115.514 -0.603 1.00 63.14 N ATOM 308 CA MET A 22 17.812-115.343 0.849 1.00 73.31 C ATOM 309 C MET A 22 19.235-115.340 1.402 1.00 20.42 C ATOM 310 O MET A 22 19.905-116.376 1.443 1.00 43.13 O ATOM 311 CB MET A 22 16.967-116.432 1.528 1.00 54.34 C ATOM 312 CG MET A 22 15.478-116.123 1.523 1.00 52.42 C ATOM 313 SD MET A 22 15.087-114.682 2.539 1.00 3.25 S ATOM 314 CE MET A 22 13.339-114.486 2.209 1.00 22.13 C ATOM 0 H MET A 22 17.378-116.388 -0.919 1.00 63.14 H new ATOM 0 HA MET A 22 17.372-114.371 1.072 1.00 73.31 H new ATOM 0 HB2 MET A 22 17.136-117.383 1.022 1.00 54.34 H new ATOM 0 HB3 MET A 22 17.303-116.555 2.558 1.00 54.34 H new ATOM 0 HG2 MET A 22 15.147-115.946 0.500 1.00 52.42 H new ATOM 0 HG3 MET A 22 14.926-116.988 1.892 1.00 52.42 H new ATOM 0 HE1 MET A 22 12.956-113.633 2.769 1.00 22.13 H new ATOM 0 HE2 MET A 22 13.187-114.318 1.143 1.00 22.13 H new ATOM 0 HE3 MET A 22 12.808-115.388 2.514 1.00 22.13 H new ATOM 324 N GLN A 23 19.683-114.155 1.810 1.00 42.32 N ATOM 325 CA GLN A 23 20.995-113.969 2.417 1.00 71.32 C ATOM 326 C GLN A 23 21.080-112.569 3.026 1.00 74.11 C ATOM 327 O GLN A 23 20.819-111.568 2.346 1.00 61.22 O ATOM 328 CB GLN A 23 22.116-114.189 1.383 1.00 23.42 C ATOM 329 CG GLN A 23 22.029-113.289 0.152 1.00 73.31 C ATOM 330 CD GLN A 23 23.085-113.614 -0.894 1.00 45.10 C ATOM 331 OE1 GLN A 23 24.174-114.084 -0.571 1.00 2.12 O ATOM 332 NE2 GLN A 23 22.771-113.364 -2.158 1.00 73.02 N ATOM 0 H GLN A 23 19.142-113.294 1.728 1.00 42.32 H new ATOM 0 HA GLN A 23 21.129-114.708 3.207 1.00 71.32 H new ATOM 0 HB2 GLN A 23 23.078-114.026 1.869 1.00 23.42 H new ATOM 0 HB3 GLN A 23 22.095-115.229 1.059 1.00 23.42 H new ATOM 0 HG2 GLN A 23 21.040-113.388 -0.295 1.00 73.31 H new ATOM 0 HG3 GLN A 23 22.138-112.249 0.460 1.00 73.31 H new ATOM 0 HE21 GLN A 23 21.857-112.974 -2.389 1.00 73.02 H new ATOM 0 HE22 GLN A 23 23.443-113.562 -2.899 1.00 73.02 H new ATOM 341 N GLY A 24 21.417-112.506 4.309 1.00 4.42 N ATOM 342 CA GLY A 24 21.478-111.238 5.008 1.00 12.50 C ATOM 343 C GLY A 24 22.812-110.548 4.827 1.00 71.41 C ATOM 344 O GLY A 24 23.769-110.831 5.552 1.00 61.51 O ATOM 0 H GLY A 24 21.651-113.318 4.881 1.00 4.42 H new ATOM 0 HA2 GLY A 24 20.682-110.587 4.646 1.00 12.50 H new ATOM 0 HA3 GLY A 24 21.297-111.402 6.070 1.00 12.50 H new ATOM 348 N SER A 25 22.886-109.667 3.835 1.00 41.01 N ATOM 349 CA SER A 25 24.081-108.870 3.579 1.00 14.24 C ATOM 350 C SER A 25 23.691-107.538 2.938 1.00 14.43 C ATOM 351 O SER A 25 22.814-107.492 2.065 1.00 11.33 O ATOM 352 CB SER A 25 25.054-109.632 2.663 1.00 34.44 C ATOM 353 OG SER A 25 25.456-110.866 3.244 1.00 60.00 O ATOM 0 H SER A 25 22.120-109.485 3.186 1.00 41.01 H new ATOM 0 HA SER A 25 24.581-108.677 4.528 1.00 14.24 H new ATOM 0 HB2 SER A 25 24.578-109.819 1.700 1.00 34.44 H new ATOM 0 HB3 SER A 25 25.932-109.016 2.470 1.00 34.44 H new ATOM 0 HG SER A 25 25.068-110.947 4.140 1.00 60.00 H new ATOM 359 N MET A 26 24.318-106.456 3.392 1.00 62.34 N ATOM 360 CA MET A 26 24.093-105.132 2.813 1.00 2.51 C ATOM 361 C MET A 26 24.781-105.026 1.448 1.00 11.11 C ATOM 362 O MET A 26 25.857-105.596 1.251 1.00 5.31 O ATOM 363 CB MET A 26 24.624-104.026 3.745 1.00 50.04 C ATOM 364 CG MET A 26 26.137-104.060 3.952 1.00 55.43 C ATOM 365 SD MET A 26 26.761-102.621 4.849 1.00 2.11 S ATOM 366 CE MET A 26 26.320-101.292 3.728 1.00 34.05 C ATOM 0 H MET A 26 24.988-106.469 4.161 1.00 62.34 H new ATOM 0 HA MET A 26 23.018-104.998 2.688 1.00 2.51 H new ATOM 0 HB2 MET A 26 24.346-103.055 3.335 1.00 50.04 H new ATOM 0 HB3 MET A 26 24.133-104.115 4.714 1.00 50.04 H new ATOM 0 HG2 MET A 26 26.403-104.965 4.498 1.00 55.43 H new ATOM 0 HG3 MET A 26 26.630-104.117 2.981 1.00 55.43 H new ATOM 0 HE1 MET A 26 26.976-100.438 3.900 1.00 34.05 H new ATOM 0 HE2 MET A 26 26.430-101.633 2.699 1.00 34.05 H new ATOM 0 HE3 MET A 26 25.286-100.996 3.904 1.00 34.05 H new ATOM 376 N PRO A 27 24.171-104.308 0.485 1.00 74.34 N ATOM 377 CA PRO A 27 24.793-104.067 -0.821 1.00 71.44 C ATOM 378 C PRO A 27 25.965-103.090 -0.700 1.00 34.14 C ATOM 379 O PRO A 27 25.815-101.999 -0.138 1.00 11.14 O ATOM 380 CB PRO A 27 23.650-103.467 -1.656 1.00 53.44 C ATOM 381 CG PRO A 27 22.745-102.829 -0.654 1.00 33.13 C ATOM 382 CD PRO A 27 22.837-103.676 0.591 1.00 61.22 C ATOM 0 HA PRO A 27 25.213-104.969 -1.266 1.00 71.44 H new ATOM 0 HB2 PRO A 27 24.024-102.737 -2.373 1.00 53.44 H new ATOM 0 HB3 PRO A 27 23.130-104.236 -2.226 1.00 53.44 H new ATOM 0 HG2 PRO A 27 23.050-101.803 -0.451 1.00 33.13 H new ATOM 0 HG3 PRO A 27 21.720-102.789 -1.024 1.00 33.13 H new ATOM 0 HD2 PRO A 27 22.750-103.072 1.494 1.00 61.22 H new ATOM 0 HD3 PRO A 27 22.042-104.421 0.629 1.00 61.22 H new ATOM 390 N SER A 28 27.129-103.490 -1.212 1.00 3.22 N ATOM 391 CA SER A 28 28.331-102.669 -1.111 1.00 34.34 C ATOM 392 C SER A 28 28.150-101.356 -1.871 1.00 61.20 C ATOM 393 O SER A 28 27.192-101.190 -2.633 1.00 25.04 O ATOM 394 CB SER A 28 29.552-103.436 -1.638 1.00 12.32 C ATOM 395 OG SER A 28 30.756-102.723 -1.386 1.00 70.24 O ATOM 0 H SER A 28 27.263-104.376 -1.699 1.00 3.22 H new ATOM 0 HA SER A 28 28.501-102.435 -0.060 1.00 34.34 H new ATOM 0 HB2 SER A 28 29.601-104.416 -1.164 1.00 12.32 H new ATOM 0 HB3 SER A 28 29.444-103.605 -2.709 1.00 12.32 H new ATOM 0 HG SER A 28 31.517-103.235 -1.730 1.00 70.24 H new ATOM 401 N SER A 29 29.076-100.429 -1.663 1.00 60.23 N ATOM 402 CA SER A 29 28.975 -99.101 -2.246 1.00 32.34 C ATOM 403 C SER A 29 29.156 -99.154 -3.767 1.00 73.11 C ATOM 404 O SER A 29 30.263 -98.990 -4.282 1.00 31.03 O ATOM 405 CB SER A 29 30.003 -98.156 -1.606 1.00 33.44 C ATOM 406 OG SER A 29 29.776 -96.810 -1.992 1.00 52.53 O ATOM 0 H SER A 29 29.908-100.575 -1.092 1.00 60.23 H new ATOM 0 HA SER A 29 27.977 -98.713 -2.042 1.00 32.34 H new ATOM 0 HB2 SER A 29 29.950 -98.239 -0.520 1.00 33.44 H new ATOM 0 HB3 SER A 29 31.009 -98.456 -1.900 1.00 33.44 H new ATOM 0 HG SER A 29 30.444 -96.231 -1.569 1.00 52.53 H new ATOM 412 N SER A 30 28.067 -99.454 -4.468 1.00 64.34 N ATOM 413 CA SER A 30 28.017 -99.352 -5.924 1.00 21.24 C ATOM 414 C SER A 30 27.122 -98.176 -6.306 1.00 2.22 C ATOM 415 O SER A 30 26.776 -97.975 -7.471 1.00 33.13 O ATOM 416 CB SER A 30 27.481-100.658 -6.522 1.00 51.34 C ATOM 417 OG SER A 30 28.233-101.766 -6.059 1.00 75.40 O ATOM 0 H SER A 30 27.196 -99.774 -4.045 1.00 64.34 H new ATOM 0 HA SER A 30 29.018 -99.184 -6.320 1.00 21.24 H new ATOM 0 HB2 SER A 30 26.433-100.785 -6.251 1.00 51.34 H new ATOM 0 HB3 SER A 30 27.526-100.611 -7.610 1.00 51.34 H new ATOM 0 HG SER A 30 27.875-102.590 -6.450 1.00 75.40 H new ATOM 423 N GLU A 31 26.778 -97.388 -5.292 1.00 40.24 N ATOM 424 CA GLU A 31 25.850 -96.273 -5.429 1.00 62.35 C ATOM 425 C GLU A 31 26.599 -95.000 -5.828 1.00 41.11 C ATOM 426 O GLU A 31 26.235 -93.893 -5.421 1.00 60.14 O ATOM 427 CB GLU A 31 25.116 -96.075 -4.092 1.00 12.31 C ATOM 428 CG GLU A 31 24.464 -97.356 -3.568 1.00 22.01 C ATOM 429 CD GLU A 31 23.941 -97.223 -2.145 1.00 14.11 C ATOM 430 OE1 GLU A 31 24.766 -97.188 -1.206 1.00 62.50 O ATOM 431 OE2 GLU A 31 22.707 -97.179 -1.952 1.00 55.42 O ATOM 0 H GLU A 31 27.139 -97.507 -4.345 1.00 40.24 H new ATOM 0 HA GLU A 31 25.125 -96.491 -6.213 1.00 62.35 H new ATOM 0 HB2 GLU A 31 25.822 -95.704 -3.349 1.00 12.31 H new ATOM 0 HB3 GLU A 31 24.350 -95.309 -4.215 1.00 12.31 H new ATOM 0 HG2 GLU A 31 23.641 -97.633 -4.227 1.00 22.01 H new ATOM 0 HG3 GLU A 31 25.190 -98.168 -3.607 1.00 22.01 H new ATOM 438 N ASP A 32 27.634 -95.163 -6.651 1.00 41.14 N ATOM 439 CA ASP A 32 28.441 -94.033 -7.103 1.00 53.41 C ATOM 440 C ASP A 32 27.628 -93.172 -8.056 1.00 74.21 C ATOM 441 O ASP A 32 27.797 -91.953 -8.117 1.00 0.32 O ATOM 442 CB ASP A 32 29.724 -94.521 -7.793 1.00 20.24 C ATOM 443 CG ASP A 32 30.642 -95.277 -6.846 1.00 71.33 C ATOM 444 OD1 ASP A 32 31.466 -94.632 -6.162 1.00 22.21 O ATOM 445 OD2 ASP A 32 30.543 -96.518 -6.777 1.00 71.55 O ATOM 0 H ASP A 32 27.933 -96.067 -7.018 1.00 41.14 H new ATOM 0 HA ASP A 32 28.727 -93.439 -6.235 1.00 53.41 H new ATOM 0 HB2 ASP A 32 29.459 -95.167 -8.630 1.00 20.24 H new ATOM 0 HB3 ASP A 32 30.258 -93.666 -8.207 1.00 20.24 H new ATOM 450 N VAL A 33 26.730 -93.817 -8.789 1.00 64.33 N ATOM 451 CA VAL A 33 25.758 -93.107 -9.599 1.00 3.41 C ATOM 452 C VAL A 33 24.428 -93.077 -8.863 1.00 52.31 C ATOM 453 O VAL A 33 23.653 -94.034 -8.895 1.00 55.05 O ATOM 454 CB VAL A 33 25.548 -93.751 -10.983 1.00 32.24 C ATOM 455 CG1 VAL A 33 24.620 -92.886 -11.834 1.00 21.34 C ATOM 456 CG2 VAL A 33 26.883 -93.987 -11.688 1.00 54.35 C ATOM 0 H VAL A 33 26.657 -94.833 -8.837 1.00 64.33 H new ATOM 0 HA VAL A 33 26.145 -92.101 -9.762 1.00 3.41 H new ATOM 0 HB VAL A 33 25.076 -94.723 -10.842 1.00 32.24 H new ATOM 0 HG11 VAL A 33 24.480 -93.353 -12.809 1.00 21.34 H new ATOM 0 HG12 VAL A 33 23.655 -92.789 -11.336 1.00 21.34 H new ATOM 0 HG13 VAL A 33 25.062 -91.898 -11.965 1.00 21.34 H new ATOM 0 HG21 VAL A 33 26.705 -94.442 -12.662 1.00 54.35 H new ATOM 0 HG22 VAL A 33 27.397 -93.035 -11.821 1.00 54.35 H new ATOM 0 HG23 VAL A 33 27.501 -94.652 -11.084 1.00 54.35 H new ATOM 466 N THR A 34 24.195 -91.982 -8.181 1.00 32.15 N ATOM 467 CA THR A 34 22.982 -91.788 -7.408 1.00 71.11 C ATOM 468 C THR A 34 21.853 -91.347 -8.330 1.00 2.24 C ATOM 469 O THR A 34 22.016 -90.414 -9.114 1.00 60.35 O ATOM 470 CB THR A 34 23.197 -90.733 -6.298 1.00 3.00 C ATOM 471 OG1 THR A 34 24.211 -91.185 -5.384 1.00 50.55 O ATOM 472 CG2 THR A 34 21.905 -90.457 -5.533 1.00 1.10 C ATOM 0 H THR A 34 24.841 -91.194 -8.143 1.00 32.15 H new ATOM 0 HA THR A 34 22.719 -92.734 -6.934 1.00 71.11 H new ATOM 0 HB THR A 34 23.516 -89.806 -6.774 1.00 3.00 H new ATOM 0 HG1 THR A 34 24.344 -90.512 -4.684 1.00 50.55 H new ATOM 0 HG21 THR A 34 22.092 -89.711 -4.760 1.00 1.10 H new ATOM 0 HG22 THR A 34 21.147 -90.084 -6.222 1.00 1.10 H new ATOM 0 HG23 THR A 34 21.552 -91.379 -5.070 1.00 1.10 H new ATOM 480 N THR A 35 20.726 -92.041 -8.257 1.00 71.32 N ATOM 481 CA THR A 35 19.564 -91.712 -9.068 1.00 44.34 C ATOM 482 C THR A 35 18.364 -91.413 -8.176 1.00 64.43 C ATOM 483 O THR A 35 18.053 -92.180 -7.265 1.00 74.11 O ATOM 484 CB THR A 35 19.221 -92.863 -10.040 1.00 51.43 C ATOM 485 OG1 THR A 35 20.370 -93.167 -10.850 1.00 13.30 O ATOM 486 CG2 THR A 35 18.038 -92.504 -10.938 1.00 62.32 C ATOM 0 H THR A 35 20.592 -92.841 -7.639 1.00 71.32 H new ATOM 0 HA THR A 35 19.804 -90.826 -9.655 1.00 44.34 H new ATOM 0 HB THR A 35 18.941 -93.735 -9.448 1.00 51.43 H new ATOM 0 HG1 THR A 35 20.732 -94.039 -10.589 1.00 13.30 H new ATOM 0 HG21 THR A 35 17.825 -93.336 -11.609 1.00 62.32 H new ATOM 0 HG22 THR A 35 17.162 -92.301 -10.322 1.00 62.32 H new ATOM 0 HG23 THR A 35 18.282 -91.619 -11.525 1.00 62.32 H new ATOM 494 N LEU A 36 17.720 -90.279 -8.428 1.00 13.40 N ATOM 495 CA LEU A 36 16.538 -89.865 -7.685 1.00 32.23 C ATOM 496 C LEU A 36 15.528 -89.236 -8.642 1.00 30.20 C ATOM 497 O LEU A 36 15.907 -88.500 -9.556 1.00 35.32 O ATOM 498 CB LEU A 36 16.911 -88.858 -6.582 1.00 70.33 C ATOM 499 CG LEU A 36 17.783 -89.408 -5.436 1.00 3.23 C ATOM 500 CD1 LEU A 36 18.186 -88.287 -4.476 1.00 10.31 C ATOM 501 CD2 LEU A 36 17.054 -90.524 -4.685 1.00 4.14 C ATOM 0 H LEU A 36 18.004 -89.621 -9.154 1.00 13.40 H new ATOM 0 HA LEU A 36 16.097 -90.743 -7.213 1.00 32.23 H new ATOM 0 HB2 LEU A 36 17.436 -88.021 -7.043 1.00 70.33 H new ATOM 0 HB3 LEU A 36 15.991 -88.460 -6.154 1.00 70.33 H new ATOM 0 HG LEU A 36 18.690 -89.827 -5.872 1.00 3.23 H new ATOM 0 HD11 LEU A 36 18.801 -88.697 -3.675 1.00 10.31 H new ATOM 0 HD12 LEU A 36 18.754 -87.530 -5.018 1.00 10.31 H new ATOM 0 HD13 LEU A 36 17.291 -87.833 -4.050 1.00 10.31 H new ATOM 0 HD21 LEU A 36 17.689 -90.896 -3.881 1.00 4.14 H new ATOM 0 HD22 LEU A 36 16.127 -90.134 -4.264 1.00 4.14 H new ATOM 0 HD23 LEU A 36 16.826 -91.337 -5.374 1.00 4.14 H new ATOM 513 N CYS A 37 14.253 -89.540 -8.441 1.00 71.23 N ATOM 514 CA CYS A 37 13.187 -88.968 -9.259 1.00 40.31 C ATOM 515 C CYS A 37 12.696 -87.666 -8.630 1.00 32.44 C ATOM 516 O CYS A 37 12.494 -87.597 -7.419 1.00 34.41 O ATOM 517 CB CYS A 37 12.030 -89.965 -9.403 1.00 1.21 C ATOM 518 SG CYS A 37 10.679 -89.401 -10.465 1.00 21.43 S ATOM 0 H CYS A 37 13.929 -90.181 -7.717 1.00 71.23 H new ATOM 0 HA CYS A 37 13.579 -88.754 -10.253 1.00 40.31 H new ATOM 0 HB2 CYS A 37 12.422 -90.901 -9.801 1.00 1.21 H new ATOM 0 HB3 CYS A 37 11.630 -90.183 -8.413 1.00 1.21 H new ATOM 0 HG CYS A 37 11.111 -88.465 -11.257 1.00 21.43 H new ATOM 524 N TYR A 38 12.524 -86.640 -9.453 1.00 44.52 N ATOM 525 CA TYR A 38 12.114 -85.317 -8.987 1.00 13.14 C ATOM 526 C TYR A 38 10.705 -84.986 -9.469 1.00 33.50 C ATOM 527 O TYR A 38 10.314 -85.356 -10.577 1.00 34.40 O ATOM 528 CB TYR A 38 13.077 -84.236 -9.511 1.00 2.52 C ATOM 529 CG TYR A 38 14.484 -84.305 -8.942 1.00 51.01 C ATOM 530 CD1 TYR A 38 15.251 -85.457 -9.061 1.00 5.21 C ATOM 531 CD2 TYR A 38 15.045 -83.211 -8.291 1.00 74.21 C ATOM 532 CE1 TYR A 38 16.530 -85.517 -8.550 1.00 42.41 C ATOM 533 CE2 TYR A 38 16.328 -83.265 -7.781 1.00 41.03 C ATOM 534 CZ TYR A 38 17.063 -84.422 -7.912 1.00 0.42 C ATOM 535 OH TYR A 38 18.340 -84.479 -7.415 1.00 72.24 O ATOM 0 H TYR A 38 12.664 -86.699 -10.462 1.00 44.52 H new ATOM 0 HA TYR A 38 12.134 -85.332 -7.897 1.00 13.14 H new ATOM 0 HB2 TYR A 38 13.135 -84.317 -10.596 1.00 2.52 H new ATOM 0 HB3 TYR A 38 12.657 -83.256 -9.286 1.00 2.52 H new ATOM 0 HD1 TYR A 38 14.838 -86.320 -9.562 1.00 5.21 H new ATOM 0 HD2 TYR A 38 14.468 -82.304 -8.182 1.00 74.21 H new ATOM 0 HE1 TYR A 38 17.112 -86.421 -8.651 1.00 42.41 H new ATOM 0 HE2 TYR A 38 16.752 -82.405 -7.283 1.00 41.03 H new ATOM 0 HH TYR A 38 18.972 -84.183 -8.103 1.00 72.24 H new ATOM 545 N ARG A 39 9.952 -84.297 -8.623 1.00 41.31 N ATOM 546 CA ARG A 39 8.668 -83.724 -9.002 1.00 13.40 C ATOM 547 C ARG A 39 8.385 -82.491 -8.154 1.00 14.02 C ATOM 548 O ARG A 39 8.163 -82.598 -6.947 1.00 25.40 O ATOM 549 CB ARG A 39 7.515 -84.731 -8.842 1.00 74.33 C ATOM 550 CG ARG A 39 6.142 -84.103 -9.098 1.00 12.21 C ATOM 551 CD ARG A 39 4.989 -85.091 -8.942 1.00 54.31 C ATOM 552 NE ARG A 39 3.701 -84.466 -9.275 1.00 25.32 N ATOM 553 CZ ARG A 39 2.642 -84.419 -8.456 1.00 14.22 C ATOM 554 NH1 ARG A 39 2.707 -84.948 -7.240 1.00 32.13 N ATOM 555 NH2 ARG A 39 1.518 -83.835 -8.854 1.00 64.21 N ATOM 0 H ARG A 39 10.214 -84.119 -7.653 1.00 41.31 H new ATOM 0 HA ARG A 39 8.729 -83.452 -10.056 1.00 13.40 H new ATOM 0 HB2 ARG A 39 7.665 -85.561 -9.532 1.00 74.33 H new ATOM 0 HB3 ARG A 39 7.538 -85.146 -7.834 1.00 74.33 H new ATOM 0 HG2 ARG A 39 5.996 -83.272 -8.408 1.00 12.21 H new ATOM 0 HG3 ARG A 39 6.122 -83.688 -10.106 1.00 12.21 H new ATOM 0 HD2 ARG A 39 5.156 -85.952 -9.589 1.00 54.31 H new ATOM 0 HD3 ARG A 39 4.961 -85.462 -7.917 1.00 54.31 H new ATOM 0 HE ARG A 39 3.607 -84.037 -10.196 1.00 25.32 H new ATOM 0 HH11 ARG A 39 3.568 -85.394 -6.923 1.00 32.13 H new ATOM 0 HH12 ARG A 39 1.896 -84.908 -6.622 1.00 32.13 H new ATOM 0 HH21 ARG A 39 1.460 -83.421 -9.785 1.00 64.21 H new ATOM 0 HH22 ARG A 39 0.713 -83.800 -8.229 1.00 64.21 H new ATOM 569 N VAL A 40 8.413 -81.326 -8.776 1.00 72.34 N ATOM 570 CA VAL A 40 8.040 -80.093 -8.099 1.00 72.44 C ATOM 571 C VAL A 40 6.716 -79.598 -8.664 1.00 70.43 C ATOM 572 O VAL A 40 6.467 -79.700 -9.864 1.00 61.43 O ATOM 573 CB VAL A 40 9.117 -78.988 -8.248 1.00 33.24 C ATOM 574 CG1 VAL A 40 9.158 -78.447 -9.674 1.00 32.30 C ATOM 575 CG2 VAL A 40 8.878 -77.861 -7.244 1.00 22.25 C ATOM 0 H VAL A 40 8.690 -81.206 -9.750 1.00 72.34 H new ATOM 0 HA VAL A 40 7.947 -80.311 -7.035 1.00 72.44 H new ATOM 0 HB VAL A 40 10.088 -79.435 -8.034 1.00 33.24 H new ATOM 0 HG11 VAL A 40 9.923 -77.674 -9.748 1.00 32.30 H new ATOM 0 HG12 VAL A 40 9.394 -79.257 -10.364 1.00 32.30 H new ATOM 0 HG13 VAL A 40 8.187 -78.023 -9.930 1.00 32.30 H new ATOM 0 HG21 VAL A 40 9.645 -77.096 -7.366 1.00 22.25 H new ATOM 0 HG22 VAL A 40 7.896 -77.421 -7.418 1.00 22.25 H new ATOM 0 HG23 VAL A 40 8.922 -78.261 -6.231 1.00 22.25 H new ATOM 585 N THR A 41 5.860 -79.100 -7.797 1.00 2.24 N ATOM 586 CA THR A 41 4.574 -78.594 -8.188 1.00 62.42 C ATOM 587 C THR A 41 4.558 -77.072 -8.090 1.00 74.20 C ATOM 588 O THR A 41 5.252 -76.493 -7.251 1.00 2.33 O ATOM 589 CB THR A 41 3.498 -79.180 -7.265 1.00 55.34 C ATOM 590 OG1 THR A 41 3.700 -80.594 -7.111 1.00 61.12 O ATOM 591 CG2 THR A 41 2.121 -78.926 -7.825 1.00 64.10 C ATOM 0 H THR A 41 6.044 -79.037 -6.796 1.00 2.24 H new ATOM 0 HA THR A 41 4.372 -78.884 -9.219 1.00 62.42 H new ATOM 0 HB THR A 41 3.578 -78.693 -6.293 1.00 55.34 H new ATOM 0 HG1 THR A 41 3.010 -80.960 -6.519 1.00 61.12 H new ATOM 0 HG21 THR A 41 1.372 -79.349 -7.156 1.00 64.10 H new ATOM 0 HG22 THR A 41 1.959 -77.852 -7.918 1.00 64.10 H new ATOM 0 HG23 THR A 41 2.036 -79.393 -8.806 1.00 64.10 H new ATOM 599 N GLY A 42 3.769 -76.437 -8.940 1.00 41.40 N ATOM 600 CA GLY A 42 3.640 -74.993 -8.916 1.00 24.42 C ATOM 601 C GLY A 42 2.288 -74.575 -8.386 1.00 40.24 C ATOM 602 O GLY A 42 1.267 -75.135 -8.791 1.00 32.35 O ATOM 0 H GLY A 42 3.208 -76.900 -9.655 1.00 41.40 H new ATOM 0 HA2 GLY A 42 4.426 -74.565 -8.294 1.00 24.42 H new ATOM 0 HA3 GLY A 42 3.778 -74.596 -9.922 1.00 24.42 H new ATOM 606 N LYS A 43 2.273 -73.613 -7.470 1.00 4.30 N ATOM 607 CA LYS A 43 1.030 -73.132 -6.878 1.00 54.14 C ATOM 608 C LYS A 43 0.128 -72.553 -7.967 1.00 34.03 C ATOM 609 O LYS A 43 -0.991 -73.021 -8.184 1.00 15.12 O ATOM 610 CB LYS A 43 1.328 -72.074 -5.806 1.00 24.05 C ATOM 611 CG LYS A 43 0.097 -71.604 -5.036 1.00 42.10 C ATOM 612 CD LYS A 43 0.455 -70.546 -3.995 1.00 4.43 C ATOM 613 CE LYS A 43 -0.769 -70.077 -3.215 1.00 3.20 C ATOM 614 NZ LYS A 43 -1.829 -69.541 -4.110 1.00 10.25 N ATOM 0 H LYS A 43 3.111 -73.149 -7.120 1.00 4.30 H new ATOM 0 HA LYS A 43 0.514 -73.966 -6.403 1.00 54.14 H new ATOM 0 HB2 LYS A 43 2.051 -72.481 -5.100 1.00 24.05 H new ATOM 0 HB3 LYS A 43 1.797 -71.212 -6.281 1.00 24.05 H new ATOM 0 HG2 LYS A 43 -0.635 -71.196 -5.733 1.00 42.10 H new ATOM 0 HG3 LYS A 43 -0.372 -72.456 -4.543 1.00 42.10 H new ATOM 0 HD2 LYS A 43 1.192 -70.953 -3.303 1.00 4.43 H new ATOM 0 HD3 LYS A 43 0.919 -69.693 -4.490 1.00 4.43 H new ATOM 0 HE2 LYS A 43 -1.170 -70.909 -2.636 1.00 3.20 H new ATOM 0 HE3 LYS A 43 -0.472 -69.307 -2.503 1.00 3.20 H new ATOM 0 HZ1 LYS A 43 -2.540 -69.037 -3.543 1.00 10.25 H new ATOM 0 HZ2 LYS A 43 -1.405 -68.885 -4.796 1.00 10.25 H new ATOM 0 HZ3 LYS A 43 -2.285 -70.326 -4.618 1.00 10.25 H new ATOM 628 N VAL A 44 0.635 -71.530 -8.650 1.00 15.21 N ATOM 629 CA VAL A 44 -0.061 -70.930 -9.784 1.00 11.51 C ATOM 630 C VAL A 44 0.829 -70.976 -11.032 1.00 43.13 C ATOM 631 O VAL A 44 1.687 -70.115 -11.233 1.00 73.31 O ATOM 632 CB VAL A 44 -0.519 -69.476 -9.470 1.00 65.30 C ATOM 633 CG1 VAL A 44 0.649 -68.608 -8.994 1.00 4.45 C ATOM 634 CG2 VAL A 44 -1.210 -68.851 -10.683 1.00 65.34 C ATOM 0 H VAL A 44 1.533 -71.097 -8.435 1.00 15.21 H new ATOM 0 HA VAL A 44 -0.962 -71.512 -9.979 1.00 11.51 H new ATOM 0 HB VAL A 44 -1.241 -69.525 -8.655 1.00 65.30 H new ATOM 0 HG11 VAL A 44 0.291 -67.600 -8.784 1.00 4.45 H new ATOM 0 HG12 VAL A 44 1.076 -69.037 -8.088 1.00 4.45 H new ATOM 0 HG13 VAL A 44 1.413 -68.568 -9.771 1.00 4.45 H new ATOM 0 HG21 VAL A 44 -1.522 -67.835 -10.441 1.00 65.34 H new ATOM 0 HG22 VAL A 44 -0.517 -68.827 -11.524 1.00 65.34 H new ATOM 0 HG23 VAL A 44 -2.084 -69.445 -10.950 1.00 65.34 H new ATOM 644 N GLN A 45 0.635 -72.020 -11.840 1.00 50.12 N ATOM 645 CA GLN A 45 1.409 -72.232 -13.067 1.00 32.13 C ATOM 646 C GLN A 45 2.912 -72.190 -12.789 1.00 53.04 C ATOM 647 O GLN A 45 3.553 -71.139 -12.899 1.00 31.24 O ATOM 648 CB GLN A 45 1.025 -71.204 -14.146 1.00 23.21 C ATOM 649 CG GLN A 45 -0.444 -71.267 -14.553 1.00 74.44 C ATOM 650 CD GLN A 45 -0.848 -72.637 -15.071 1.00 75.11 C ATOM 651 OE1 GLN A 45 -1.259 -73.507 -14.302 1.00 53.52 O ATOM 652 NE2 GLN A 45 -0.733 -72.841 -16.375 1.00 75.34 N ATOM 0 H GLN A 45 -0.063 -72.743 -11.663 1.00 50.12 H new ATOM 0 HA GLN A 45 1.166 -73.226 -13.443 1.00 32.13 H new ATOM 0 HB2 GLN A 45 1.249 -70.203 -13.778 1.00 23.21 H new ATOM 0 HB3 GLN A 45 1.645 -71.366 -15.028 1.00 23.21 H new ATOM 0 HG2 GLN A 45 -1.066 -71.009 -13.696 1.00 74.44 H new ATOM 0 HG3 GLN A 45 -0.636 -70.520 -15.323 1.00 74.44 H new ATOM 0 HE21 GLN A 45 -0.388 -72.095 -16.979 1.00 75.34 H new ATOM 0 HE22 GLN A 45 -0.989 -73.744 -16.774 1.00 75.34 H new ATOM 661 N GLY A 46 3.466 -73.337 -12.413 1.00 33.40 N ATOM 662 CA GLY A 46 4.878 -73.423 -12.089 1.00 5.31 C ATOM 663 C GLY A 46 5.749 -73.510 -13.324 1.00 42.35 C ATOM 664 O GLY A 46 6.290 -74.574 -13.638 1.00 52.52 O ATOM 0 H GLY A 46 2.957 -74.217 -12.326 1.00 33.40 H new ATOM 0 HA2 GLY A 46 5.168 -72.550 -11.504 1.00 5.31 H new ATOM 0 HA3 GLY A 46 5.052 -74.298 -11.463 1.00 5.31 H new ATOM 668 N VAL A 47 5.871 -72.394 -14.043 1.00 50.43 N ATOM 669 CA VAL A 47 6.737 -72.330 -15.212 1.00 62.01 C ATOM 670 C VAL A 47 8.196 -72.371 -14.767 1.00 63.33 C ATOM 671 O VAL A 47 8.806 -71.338 -14.470 1.00 24.14 O ATOM 672 CB VAL A 47 6.477 -71.065 -16.070 1.00 61.21 C ATOM 673 CG1 VAL A 47 7.362 -71.066 -17.319 1.00 73.20 C ATOM 674 CG2 VAL A 47 4.999 -70.966 -16.449 1.00 13.12 C ATOM 0 H VAL A 47 5.380 -71.525 -13.834 1.00 50.43 H new ATOM 0 HA VAL A 47 6.513 -73.193 -15.839 1.00 62.01 H new ATOM 0 HB VAL A 47 6.734 -70.189 -15.475 1.00 61.21 H new ATOM 0 HG11 VAL A 47 7.163 -70.170 -17.906 1.00 73.20 H new ATOM 0 HG12 VAL A 47 8.411 -71.080 -17.022 1.00 73.20 H new ATOM 0 HG13 VAL A 47 7.143 -71.949 -17.919 1.00 73.20 H new ATOM 0 HG21 VAL A 47 4.837 -70.072 -17.051 1.00 13.12 H new ATOM 0 HG22 VAL A 47 4.711 -71.847 -17.023 1.00 13.12 H new ATOM 0 HG23 VAL A 47 4.394 -70.909 -15.544 1.00 13.12 H new ATOM 684 N PHE A 48 8.722 -73.583 -14.683 1.00 44.21 N ATOM 685 CA PHE A 48 10.069 -73.821 -14.194 1.00 43.23 C ATOM 686 C PHE A 48 11.101 -73.319 -15.208 1.00 63.04 C ATOM 687 O PHE A 48 11.098 -73.725 -16.373 1.00 45.54 O ATOM 688 CB PHE A 48 10.241 -75.321 -13.914 1.00 61.12 C ATOM 689 CG PHE A 48 11.396 -75.677 -13.012 1.00 53.24 C ATOM 690 CD1 PHE A 48 11.381 -75.325 -11.669 1.00 42.11 C ATOM 691 CD2 PHE A 48 12.484 -76.385 -13.500 1.00 54.45 C ATOM 692 CE1 PHE A 48 12.427 -75.668 -10.837 1.00 23.41 C ATOM 693 CE2 PHE A 48 13.532 -76.734 -12.671 1.00 23.53 C ATOM 694 CZ PHE A 48 13.504 -76.374 -11.338 1.00 52.33 C ATOM 0 H PHE A 48 8.224 -74.431 -14.953 1.00 44.21 H new ATOM 0 HA PHE A 48 10.229 -73.270 -13.267 1.00 43.23 H new ATOM 0 HB2 PHE A 48 9.322 -75.699 -13.467 1.00 61.12 H new ATOM 0 HB3 PHE A 48 10.370 -75.839 -14.864 1.00 61.12 H new ATOM 0 HD1 PHE A 48 10.540 -74.776 -11.271 1.00 42.11 H new ATOM 0 HD2 PHE A 48 12.512 -76.667 -14.542 1.00 54.45 H new ATOM 0 HE1 PHE A 48 12.404 -75.385 -9.795 1.00 23.41 H new ATOM 0 HE2 PHE A 48 14.372 -77.287 -13.064 1.00 23.53 H new ATOM 0 HZ PHE A 48 14.323 -76.644 -10.688 1.00 52.33 H new ATOM 704 N PHE A 49 11.950 -72.404 -14.750 1.00 15.34 N ATOM 705 CA PHE A 49 12.997 -71.791 -15.573 1.00 4.40 C ATOM 706 C PHE A 49 13.961 -72.831 -16.173 1.00 62.32 C ATOM 707 O PHE A 49 15.017 -73.144 -15.601 1.00 1.00 O ATOM 708 CB PHE A 49 13.758 -70.710 -14.763 1.00 33.40 C ATOM 709 CG PHE A 49 14.283 -71.123 -13.390 1.00 61.25 C ATOM 710 CD1 PHE A 49 13.814 -72.250 -12.722 1.00 61.52 C ATOM 711 CD2 PHE A 49 15.252 -70.351 -12.761 1.00 2.54 C ATOM 712 CE1 PHE A 49 14.298 -72.592 -11.474 1.00 52.45 C ATOM 713 CE2 PHE A 49 15.736 -70.691 -11.512 1.00 70.11 C ATOM 714 CZ PHE A 49 15.259 -71.812 -10.870 1.00 63.23 C ATOM 0 H PHE A 49 11.934 -72.062 -13.789 1.00 15.34 H new ATOM 0 HA PHE A 49 12.507 -71.308 -16.418 1.00 4.40 H new ATOM 0 HB2 PHE A 49 14.603 -70.369 -15.361 1.00 33.40 H new ATOM 0 HB3 PHE A 49 13.095 -69.855 -14.630 1.00 33.40 H new ATOM 0 HD1 PHE A 49 13.059 -72.867 -13.187 1.00 61.52 H new ATOM 0 HD2 PHE A 49 15.633 -69.470 -13.257 1.00 2.54 H new ATOM 0 HE1 PHE A 49 13.923 -73.471 -10.972 1.00 52.45 H new ATOM 0 HE2 PHE A 49 16.489 -70.077 -11.039 1.00 70.11 H new ATOM 0 HZ PHE A 49 15.638 -72.079 -9.895 1.00 63.23 H new ATOM 724 N ARG A 50 13.592 -73.349 -17.349 1.00 20.24 N ATOM 725 CA ARG A 50 14.369 -74.388 -18.021 1.00 11.11 C ATOM 726 C ARG A 50 15.717 -73.843 -18.484 1.00 62.02 C ATOM 727 O ARG A 50 16.658 -74.604 -18.691 1.00 13.04 O ATOM 728 CB ARG A 50 13.602 -74.975 -19.219 1.00 4.24 C ATOM 729 CG ARG A 50 13.567 -74.076 -20.454 1.00 63.42 C ATOM 730 CD ARG A 50 12.887 -74.767 -21.632 1.00 31.41 C ATOM 731 NE ARG A 50 12.983 -73.980 -22.864 1.00 52.04 N ATOM 732 CZ ARG A 50 12.714 -74.458 -24.085 1.00 22.45 C ATOM 733 NH1 ARG A 50 12.287 -75.705 -24.242 1.00 12.14 N ATOM 734 NH2 ARG A 50 12.858 -73.675 -25.145 1.00 70.43 N ATOM 0 H ARG A 50 12.754 -73.062 -17.855 1.00 20.24 H new ATOM 0 HA ARG A 50 14.540 -75.186 -17.298 1.00 11.11 H new ATOM 0 HB2 ARG A 50 14.055 -75.928 -19.492 1.00 4.24 H new ATOM 0 HB3 ARG A 50 12.578 -75.186 -18.910 1.00 4.24 H new ATOM 0 HG2 ARG A 50 13.038 -73.153 -20.218 1.00 63.42 H new ATOM 0 HG3 ARG A 50 14.584 -73.798 -20.732 1.00 63.42 H new ATOM 0 HD2 ARG A 50 13.343 -75.744 -21.790 1.00 31.41 H new ATOM 0 HD3 ARG A 50 11.837 -74.940 -21.394 1.00 31.41 H new ATOM 0 HE ARG A 50 13.273 -73.005 -22.786 1.00 52.04 H new ATOM 0 HH11 ARG A 50 12.161 -76.307 -23.428 1.00 12.14 H new ATOM 0 HH12 ARG A 50 12.084 -76.061 -25.176 1.00 12.14 H new ATOM 0 HH21 ARG A 50 13.173 -72.712 -25.029 1.00 70.43 H new ATOM 0 HH22 ARG A 50 12.654 -74.036 -26.077 1.00 70.43 H new ATOM 748 N LYS A 51 15.794 -72.526 -18.661 1.00 31.42 N ATOM 749 CA LYS A 51 17.045 -71.872 -19.038 1.00 51.24 C ATOM 750 C LYS A 51 18.115 -72.149 -17.982 1.00 43.40 C ATOM 751 O LYS A 51 19.196 -72.664 -18.284 1.00 4.25 O ATOM 752 CB LYS A 51 16.817 -70.359 -19.194 1.00 42.54 C ATOM 753 CG LYS A 51 18.055 -69.572 -19.623 1.00 63.21 C ATOM 754 CD LYS A 51 18.611 -70.059 -20.962 1.00 2.41 C ATOM 755 CE LYS A 51 19.720 -69.149 -21.485 1.00 61.10 C ATOM 756 NZ LYS A 51 20.849 -69.023 -20.526 1.00 63.52 N ATOM 0 H LYS A 51 15.004 -71.890 -18.549 1.00 31.42 H new ATOM 0 HA LYS A 51 17.388 -72.272 -19.992 1.00 51.24 H new ATOM 0 HB2 LYS A 51 16.027 -70.197 -19.927 1.00 42.54 H new ATOM 0 HB3 LYS A 51 16.458 -69.959 -18.246 1.00 42.54 H new ATOM 0 HG2 LYS A 51 17.803 -68.514 -19.699 1.00 63.21 H new ATOM 0 HG3 LYS A 51 18.825 -69.662 -18.857 1.00 63.21 H new ATOM 0 HD2 LYS A 51 18.997 -71.072 -20.848 1.00 2.41 H new ATOM 0 HD3 LYS A 51 17.805 -70.106 -21.694 1.00 2.41 H new ATOM 0 HE2 LYS A 51 20.093 -69.542 -22.431 1.00 61.10 H new ATOM 0 HE3 LYS A 51 19.309 -68.161 -21.690 1.00 61.10 H new ATOM 0 HZ1 LYS A 51 21.598 -68.437 -20.947 1.00 63.52 H new ATOM 0 HZ2 LYS A 51 20.512 -68.577 -19.649 1.00 63.52 H new ATOM 0 HZ3 LYS A 51 21.228 -69.967 -20.310 1.00 63.52 H new ATOM 770 N TYR A 52 17.782 -71.841 -16.736 1.00 33.33 N ATOM 771 CA TYR A 52 18.700 -72.050 -15.626 1.00 52.21 C ATOM 772 C TYR A 52 18.787 -73.531 -15.279 1.00 31.13 C ATOM 773 O TYR A 52 19.801 -73.987 -14.753 1.00 33.12 O ATOM 774 CB TYR A 52 18.273 -71.219 -14.414 1.00 51.11 C ATOM 775 CG TYR A 52 18.331 -69.721 -14.664 1.00 65.03 C ATOM 776 CD1 TYR A 52 19.526 -69.022 -14.532 1.00 73.20 C ATOM 777 CD2 TYR A 52 17.194 -69.009 -15.032 1.00 31.11 C ATOM 778 CE1 TYR A 52 19.585 -67.660 -14.760 1.00 34.30 C ATOM 779 CE2 TYR A 52 17.246 -67.648 -15.260 1.00 52.05 C ATOM 780 CZ TYR A 52 18.443 -66.979 -15.122 1.00 23.30 C ATOM 781 OH TYR A 52 18.498 -65.623 -15.347 1.00 53.21 O ATOM 0 H TYR A 52 16.881 -71.445 -16.469 1.00 33.33 H new ATOM 0 HA TYR A 52 19.694 -71.717 -15.926 1.00 52.21 H new ATOM 0 HB2 TYR A 52 17.257 -71.495 -14.133 1.00 51.11 H new ATOM 0 HB3 TYR A 52 18.916 -71.465 -13.569 1.00 51.11 H new ATOM 0 HD1 TYR A 52 20.423 -69.552 -14.247 1.00 73.20 H new ATOM 0 HD2 TYR A 52 16.254 -69.530 -15.141 1.00 31.11 H new ATOM 0 HE1 TYR A 52 20.521 -67.132 -14.655 1.00 34.30 H new ATOM 0 HE2 TYR A 52 16.353 -67.111 -15.545 1.00 52.05 H new ATOM 0 HH TYR A 52 17.608 -65.296 -15.595 1.00 53.21 H new ATOM 791 N THR A 53 17.724 -74.281 -15.574 1.00 44.10 N ATOM 792 CA THR A 53 17.765 -75.736 -15.437 1.00 3.41 C ATOM 793 C THR A 53 18.825 -76.318 -16.376 1.00 73.23 C ATOM 794 O THR A 53 19.603 -77.199 -15.994 1.00 72.33 O ATOM 795 CB THR A 53 16.392 -76.373 -15.750 1.00 45.12 C ATOM 796 OG1 THR A 53 15.370 -75.711 -14.993 1.00 53.20 O ATOM 797 CG2 THR A 53 16.380 -77.865 -15.423 1.00 71.23 C ATOM 0 H THR A 53 16.834 -73.909 -15.906 1.00 44.10 H new ATOM 0 HA THR A 53 18.020 -75.967 -14.403 1.00 3.41 H new ATOM 0 HB THR A 53 16.203 -76.257 -16.817 1.00 45.12 H new ATOM 0 HG1 THR A 53 15.785 -75.146 -14.308 1.00 53.20 H new ATOM 0 HG21 THR A 53 15.399 -78.281 -15.655 1.00 71.23 H new ATOM 0 HG22 THR A 53 17.140 -78.374 -16.017 1.00 71.23 H new ATOM 0 HG23 THR A 53 16.592 -78.007 -14.363 1.00 71.23 H new ATOM 805 N LYS A 54 18.852 -75.797 -17.604 1.00 52.34 N ATOM 806 CA LYS A 54 19.836 -76.201 -18.600 1.00 30.44 C ATOM 807 C LYS A 54 21.232 -75.833 -18.116 1.00 3.54 C ATOM 808 O LYS A 54 22.137 -76.665 -18.125 1.00 44.10 O ATOM 809 CB LYS A 54 19.546 -75.521 -19.948 1.00 40.44 C ATOM 810 CG LYS A 54 20.511 -75.917 -21.062 1.00 35.45 C ATOM 811 CD LYS A 54 20.382 -77.394 -21.436 1.00 30.33 C ATOM 812 CE LYS A 54 21.441 -77.818 -22.448 1.00 3.15 C ATOM 813 NZ LYS A 54 22.819 -77.722 -21.887 1.00 23.31 N ATOM 0 H LYS A 54 18.196 -75.088 -17.931 1.00 52.34 H new ATOM 0 HA LYS A 54 19.777 -77.280 -18.740 1.00 30.44 H new ATOM 0 HB2 LYS A 54 18.530 -75.767 -20.257 1.00 40.44 H new ATOM 0 HB3 LYS A 54 19.585 -74.440 -19.814 1.00 40.44 H new ATOM 0 HG2 LYS A 54 20.320 -75.303 -21.942 1.00 35.45 H new ATOM 0 HG3 LYS A 54 21.534 -75.712 -20.745 1.00 35.45 H new ATOM 0 HD2 LYS A 54 20.472 -78.005 -20.538 1.00 30.33 H new ATOM 0 HD3 LYS A 54 19.390 -77.579 -21.849 1.00 30.33 H new ATOM 0 HE2 LYS A 54 21.249 -78.843 -22.766 1.00 3.15 H new ATOM 0 HE3 LYS A 54 21.366 -77.190 -23.336 1.00 3.15 H new ATOM 0 HZ1 LYS A 54 23.485 -77.464 -22.643 1.00 23.31 H new ATOM 0 HZ2 LYS A 54 22.841 -76.995 -21.143 1.00 23.31 H new ATOM 0 HZ3 LYS A 54 23.094 -78.640 -21.482 1.00 23.31 H new ATOM 827 N LYS A 55 21.380 -74.584 -17.664 1.00 61.15 N ATOM 828 CA LYS A 55 22.645 -74.106 -17.104 1.00 23.30 C ATOM 829 C LYS A 55 23.136 -75.043 -16.003 1.00 15.04 C ATOM 830 O LYS A 55 24.271 -75.527 -16.036 1.00 2.24 O ATOM 831 CB LYS A 55 22.445 -72.699 -16.499 1.00 11.43 C ATOM 832 CG LYS A 55 23.446 -72.348 -15.392 1.00 64.44 C ATOM 833 CD LYS A 55 22.961 -71.192 -14.521 1.00 65.33 C ATOM 834 CE LYS A 55 23.790 -71.059 -13.244 1.00 14.41 C ATOM 835 NZ LYS A 55 23.748 -72.298 -12.413 1.00 63.50 N ATOM 0 H LYS A 55 20.637 -73.885 -17.676 1.00 61.15 H new ATOM 0 HA LYS A 55 23.383 -74.074 -17.906 1.00 23.30 H new ATOM 0 HB2 LYS A 55 22.524 -71.958 -17.295 1.00 11.43 H new ATOM 0 HB3 LYS A 55 21.434 -72.628 -16.097 1.00 11.43 H new ATOM 0 HG2 LYS A 55 23.616 -73.225 -14.767 1.00 64.44 H new ATOM 0 HG3 LYS A 55 24.404 -72.085 -15.841 1.00 64.44 H new ATOM 0 HD2 LYS A 55 23.014 -70.262 -15.088 1.00 65.33 H new ATOM 0 HD3 LYS A 55 21.914 -71.347 -14.261 1.00 65.33 H new ATOM 0 HE2 LYS A 55 24.824 -70.834 -13.506 1.00 14.41 H new ATOM 0 HE3 LYS A 55 23.419 -70.218 -12.658 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 23.987 -72.064 -11.428 1.00 63.50 H new ATOM 0 HZ2 LYS A 55 22.793 -72.708 -12.450 1.00 63.50 H new ATOM 0 HZ3 LYS A 55 24.435 -72.987 -12.781 1.00 63.50 H new ATOM 849 N GLU A 56 22.250 -75.312 -15.056 1.00 61.35 N ATOM 850 CA GLU A 56 22.598 -76.027 -13.841 1.00 4.44 C ATOM 851 C GLU A 56 23.031 -77.452 -14.154 1.00 34.44 C ATOM 852 O GLU A 56 24.141 -77.872 -13.817 1.00 61.15 O ATOM 853 CB GLU A 56 21.399 -76.039 -12.886 1.00 12.34 C ATOM 854 CG GLU A 56 21.754 -76.486 -11.479 1.00 53.51 C ATOM 855 CD GLU A 56 22.691 -75.499 -10.791 1.00 25.14 C ATOM 856 OE1 GLU A 56 22.272 -74.339 -10.556 1.00 24.04 O ATOM 857 OE2 GLU A 56 23.848 -75.861 -10.501 1.00 63.10 O ATOM 0 H GLU A 56 21.269 -75.040 -15.110 1.00 61.35 H new ATOM 0 HA GLU A 56 23.434 -75.515 -13.365 1.00 4.44 H new ATOM 0 HB2 GLU A 56 20.968 -75.039 -12.844 1.00 12.34 H new ATOM 0 HB3 GLU A 56 20.631 -76.701 -13.287 1.00 12.34 H new ATOM 0 HG2 GLU A 56 20.843 -76.593 -10.891 1.00 53.51 H new ATOM 0 HG3 GLU A 56 22.225 -77.468 -11.518 1.00 53.51 H new ATOM 864 N ALA A 57 22.151 -78.184 -14.822 1.00 2.01 N ATOM 865 CA ALA A 57 22.392 -79.584 -15.121 1.00 74.43 C ATOM 866 C ALA A 57 23.577 -79.748 -16.068 1.00 71.13 C ATOM 867 O ALA A 57 24.360 -80.686 -15.931 1.00 12.10 O ATOM 868 CB ALA A 57 21.133 -80.217 -15.695 1.00 4.12 C ATOM 0 H ALA A 57 21.260 -77.827 -15.168 1.00 2.01 H new ATOM 0 HA ALA A 57 22.646 -80.100 -14.195 1.00 74.43 H new ATOM 0 HB1 ALA A 57 21.322 -81.267 -15.917 1.00 4.12 H new ATOM 0 HB2 ALA A 57 20.323 -80.139 -14.969 1.00 4.12 H new ATOM 0 HB3 ALA A 57 20.850 -79.698 -16.611 1.00 4.12 H new ATOM 874 N ASP A 58 23.718 -78.819 -17.012 1.00 44.45 N ATOM 875 CA ASP A 58 24.811 -78.871 -17.985 1.00 61.14 C ATOM 876 C ASP A 58 26.156 -78.672 -17.294 1.00 50.21 C ATOM 877 O ASP A 58 27.115 -79.401 -17.556 1.00 33.21 O ATOM 878 CB ASP A 58 24.621 -77.800 -19.066 1.00 0.41 C ATOM 879 CG ASP A 58 25.691 -77.852 -20.146 1.00 35.12 C ATOM 880 OD1 ASP A 58 26.767 -77.244 -19.959 1.00 32.14 O ATOM 881 OD2 ASP A 58 25.452 -78.491 -21.191 1.00 22.10 O ATOM 0 H ASP A 58 23.091 -78.022 -17.125 1.00 44.45 H new ATOM 0 HA ASP A 58 24.798 -79.855 -18.455 1.00 61.14 H new ATOM 0 HB2 ASP A 58 23.641 -77.926 -19.526 1.00 0.41 H new ATOM 0 HB3 ASP A 58 24.630 -76.815 -18.600 1.00 0.41 H new ATOM 886 N ALA A 59 26.211 -77.687 -16.403 1.00 41.11 N ATOM 887 CA ALA A 59 27.442 -77.349 -15.696 1.00 31.13 C ATOM 888 C ALA A 59 27.832 -78.444 -14.706 1.00 41.12 C ATOM 889 O ALA A 59 28.985 -78.877 -14.666 1.00 73.43 O ATOM 890 CB ALA A 59 27.288 -76.014 -14.978 1.00 33.22 C ATOM 0 H ALA A 59 25.412 -77.105 -16.152 1.00 41.11 H new ATOM 0 HA ALA A 59 28.241 -77.265 -16.432 1.00 31.13 H new ATOM 0 HB1 ALA A 59 28.213 -75.774 -14.455 1.00 33.22 H new ATOM 0 HB2 ALA A 59 27.069 -75.233 -15.706 1.00 33.22 H new ATOM 0 HB3 ALA A 59 26.471 -76.079 -14.259 1.00 33.22 H new ATOM 896 N LEU A 60 26.866 -78.890 -13.913 1.00 54.24 N ATOM 897 CA LEU A 60 27.099 -79.925 -12.908 1.00 74.52 C ATOM 898 C LEU A 60 27.110 -81.317 -13.549 1.00 2.20 C ATOM 899 O LEU A 60 27.471 -82.300 -12.905 1.00 5.04 O ATOM 900 CB LEU A 60 26.035 -79.841 -11.800 1.00 10.34 C ATOM 901 CG LEU A 60 26.260 -78.772 -10.710 1.00 60.33 C ATOM 902 CD1 LEU A 60 27.393 -79.184 -9.772 1.00 41.11 C ATOM 903 CD2 LEU A 60 26.544 -77.401 -11.328 1.00 51.52 C ATOM 0 H LEU A 60 25.905 -78.549 -13.946 1.00 54.24 H new ATOM 0 HA LEU A 60 28.078 -79.756 -12.460 1.00 74.52 H new ATOM 0 HB2 LEU A 60 25.069 -79.653 -12.268 1.00 10.34 H new ATOM 0 HB3 LEU A 60 25.970 -80.815 -11.315 1.00 10.34 H new ATOM 0 HG LEU A 60 25.342 -78.694 -10.127 1.00 60.33 H new ATOM 0 HD11 LEU A 60 27.534 -78.416 -9.012 1.00 41.11 H new ATOM 0 HD12 LEU A 60 27.141 -80.129 -9.290 1.00 41.11 H new ATOM 0 HD13 LEU A 60 28.314 -79.302 -10.343 1.00 41.11 H new ATOM 0 HD21 LEU A 60 26.698 -76.669 -10.535 1.00 51.52 H new ATOM 0 HD22 LEU A 60 27.439 -77.459 -11.947 1.00 51.52 H new ATOM 0 HD23 LEU A 60 25.697 -77.097 -11.943 1.00 51.52 H new ATOM 915 N SER A 61 26.690 -81.387 -14.816 1.00 74.52 N ATOM 916 CA SER A 61 26.784 -82.612 -15.611 1.00 3.53 C ATOM 917 C SER A 61 25.840 -83.699 -15.086 1.00 64.03 C ATOM 918 O SER A 61 26.211 -84.873 -14.988 1.00 34.12 O ATOM 919 CB SER A 61 28.236 -83.115 -15.642 1.00 74.53 C ATOM 920 OG SER A 61 29.109 -82.123 -16.164 1.00 63.03 O ATOM 0 H SER A 61 26.277 -80.599 -15.316 1.00 74.52 H new ATOM 0 HA SER A 61 26.473 -82.377 -16.629 1.00 3.53 H new ATOM 0 HB2 SER A 61 28.551 -83.388 -14.635 1.00 74.53 H new ATOM 0 HB3 SER A 61 28.299 -84.017 -16.251 1.00 74.53 H new ATOM 0 HG SER A 61 30.027 -82.466 -16.172 1.00 63.03 H new ATOM 926 N LEU A 62 24.604 -83.305 -14.770 1.00 73.12 N ATOM 927 CA LEU A 62 23.575 -84.271 -14.384 1.00 32.44 C ATOM 928 C LEU A 62 23.012 -84.946 -15.630 1.00 13.42 C ATOM 929 O LEU A 62 22.721 -84.280 -16.628 1.00 54.02 O ATOM 930 CB LEU A 62 22.422 -83.614 -13.592 1.00 62.02 C ATOM 931 CG LEU A 62 22.763 -83.124 -12.172 1.00 31.13 C ATOM 932 CD1 LEU A 62 23.584 -84.168 -11.423 1.00 22.14 C ATOM 933 CD2 LEU A 62 23.476 -81.781 -12.214 1.00 20.31 C ATOM 0 H LEU A 62 24.294 -82.333 -14.774 1.00 73.12 H new ATOM 0 HA LEU A 62 24.047 -85.007 -13.733 1.00 32.44 H new ATOM 0 HB2 LEU A 62 22.052 -82.765 -14.167 1.00 62.02 H new ATOM 0 HB3 LEU A 62 21.604 -84.331 -13.520 1.00 62.02 H new ATOM 0 HG LEU A 62 21.829 -82.982 -11.628 1.00 31.13 H new ATOM 0 HD11 LEU A 62 23.814 -83.801 -10.423 1.00 22.14 H new ATOM 0 HD12 LEU A 62 23.014 -85.094 -11.348 1.00 22.14 H new ATOM 0 HD13 LEU A 62 24.512 -84.356 -11.962 1.00 22.14 H new ATOM 0 HD21 LEU A 62 23.705 -81.459 -11.198 1.00 20.31 H new ATOM 0 HD22 LEU A 62 24.402 -81.878 -12.781 1.00 20.31 H new ATOM 0 HD23 LEU A 62 22.833 -81.042 -12.693 1.00 20.31 H new ATOM 945 N VAL A 63 22.881 -86.267 -15.580 1.00 63.31 N ATOM 946 CA VAL A 63 22.229 -87.012 -16.647 1.00 53.30 C ATOM 947 C VAL A 63 20.849 -87.456 -16.173 1.00 24.01 C ATOM 948 O VAL A 63 20.612 -87.570 -14.969 1.00 52.40 O ATOM 949 CB VAL A 63 23.072 -88.234 -17.110 1.00 11.42 C ATOM 950 CG1 VAL A 63 24.413 -87.774 -17.677 1.00 23.31 C ATOM 951 CG2 VAL A 63 23.283 -89.235 -15.976 1.00 10.23 C ATOM 0 H VAL A 63 23.219 -86.844 -14.810 1.00 63.31 H new ATOM 0 HA VAL A 63 22.130 -86.357 -17.512 1.00 53.30 H new ATOM 0 HB VAL A 63 22.514 -88.742 -17.897 1.00 11.42 H new ATOM 0 HG11 VAL A 63 24.990 -88.642 -17.996 1.00 23.31 H new ATOM 0 HG12 VAL A 63 24.241 -87.118 -18.531 1.00 23.31 H new ATOM 0 HG13 VAL A 63 24.966 -87.233 -16.909 1.00 23.31 H new ATOM 0 HG21 VAL A 63 23.876 -90.075 -16.338 1.00 10.23 H new ATOM 0 HG22 VAL A 63 23.807 -88.748 -15.154 1.00 10.23 H new ATOM 0 HG23 VAL A 63 22.316 -89.597 -15.626 1.00 10.23 H new ATOM 961 N GLY A 64 19.934 -87.660 -17.111 1.00 15.23 N ATOM 962 CA GLY A 64 18.569 -88.017 -16.762 1.00 55.25 C ATOM 963 C GLY A 64 17.573 -87.359 -17.695 1.00 30.41 C ATOM 964 O GLY A 64 17.801 -87.312 -18.906 1.00 63.55 O ATOM 0 H GLY A 64 20.112 -87.585 -18.113 1.00 15.23 H new ATOM 0 HA2 GLY A 64 18.451 -89.100 -16.806 1.00 55.25 H new ATOM 0 HA3 GLY A 64 18.363 -87.715 -15.735 1.00 55.25 H new ATOM 968 N TYR A 65 16.472 -86.845 -17.148 1.00 73.32 N ATOM 969 CA TYR A 65 15.457 -86.190 -17.971 1.00 13.32 C ATOM 970 C TYR A 65 14.459 -85.413 -17.112 1.00 31.43 C ATOM 971 O TYR A 65 14.202 -85.778 -15.969 1.00 30.44 O ATOM 972 CB TYR A 65 14.753 -87.231 -18.874 1.00 12.34 C ATOM 973 CG TYR A 65 13.252 -87.393 -18.675 1.00 12.32 C ATOM 974 CD1 TYR A 65 12.743 -88.297 -17.746 1.00 2.54 C ATOM 975 CD2 TYR A 65 12.348 -86.658 -19.436 1.00 43.24 C ATOM 976 CE1 TYR A 65 11.382 -88.464 -17.585 1.00 14.21 C ATOM 977 CE2 TYR A 65 10.986 -86.816 -19.276 1.00 74.34 C ATOM 978 CZ TYR A 65 10.506 -87.720 -18.347 1.00 4.14 C ATOM 979 OH TYR A 65 9.149 -87.888 -18.186 1.00 22.34 O ATOM 0 H TYR A 65 16.262 -86.869 -16.150 1.00 73.32 H new ATOM 0 HA TYR A 65 15.949 -85.461 -18.615 1.00 13.32 H new ATOM 0 HB2 TYR A 65 14.933 -86.959 -19.914 1.00 12.34 H new ATOM 0 HB3 TYR A 65 15.226 -88.200 -18.712 1.00 12.34 H new ATOM 0 HD1 TYR A 65 13.424 -88.877 -17.141 1.00 2.54 H new ATOM 0 HD2 TYR A 65 12.718 -85.952 -20.164 1.00 43.24 H new ATOM 0 HE1 TYR A 65 11.005 -89.175 -16.865 1.00 14.21 H new ATOM 0 HE2 TYR A 65 10.299 -86.236 -19.874 1.00 74.34 H new ATOM 0 HH TYR A 65 8.960 -88.152 -17.262 1.00 22.34 H new ATOM 989 N VAL A 66 13.912 -84.338 -17.679 1.00 23.54 N ATOM 990 CA VAL A 66 12.902 -83.510 -17.014 1.00 72.34 C ATOM 991 C VAL A 66 11.817 -83.122 -18.019 1.00 10.41 C ATOM 992 O VAL A 66 12.113 -82.948 -19.205 1.00 63.31 O ATOM 993 CB VAL A 66 13.529 -82.224 -16.390 1.00 1.11 C ATOM 994 CG1 VAL A 66 12.457 -81.206 -16.004 1.00 51.44 C ATOM 995 CG2 VAL A 66 14.382 -82.575 -15.170 1.00 12.42 C ATOM 0 H VAL A 66 14.156 -84.015 -18.615 1.00 23.54 H new ATOM 0 HA VAL A 66 12.467 -84.095 -16.203 1.00 72.34 H new ATOM 0 HB VAL A 66 14.166 -81.772 -17.150 1.00 1.11 H new ATOM 0 HG11 VAL A 66 12.931 -80.324 -15.573 1.00 51.44 H new ATOM 0 HG12 VAL A 66 11.893 -80.918 -16.891 1.00 51.44 H new ATOM 0 HG13 VAL A 66 11.781 -81.649 -15.272 1.00 51.44 H new ATOM 0 HG21 VAL A 66 14.809 -81.664 -14.751 1.00 12.42 H new ATOM 0 HG22 VAL A 66 13.760 -83.063 -14.419 1.00 12.42 H new ATOM 0 HG23 VAL A 66 15.185 -83.248 -15.469 1.00 12.42 H new ATOM 1005 N THR A 67 10.576 -83.002 -17.531 1.00 33.35 N ATOM 1006 CA THR A 67 9.413 -82.672 -18.355 1.00 62.00 C ATOM 1007 C THR A 67 8.313 -82.053 -17.486 1.00 43.22 C ATOM 1008 O THR A 67 8.338 -82.181 -16.259 1.00 43.20 O ATOM 1009 CB THR A 67 8.842 -83.915 -19.079 1.00 20.20 C ATOM 1010 OG1 THR A 67 7.806 -83.516 -19.983 1.00 12.03 O ATOM 1011 CG2 THR A 67 8.282 -84.928 -18.082 1.00 52.41 C ATOM 0 H THR A 67 10.352 -83.133 -16.545 1.00 33.35 H new ATOM 0 HA THR A 67 9.746 -81.960 -19.110 1.00 62.00 H new ATOM 0 HB THR A 67 9.655 -84.387 -19.630 1.00 20.20 H new ATOM 0 HG1 THR A 67 7.870 -84.043 -20.807 1.00 12.03 H new ATOM 0 HG21 THR A 67 7.888 -85.790 -18.621 1.00 52.41 H new ATOM 0 HG22 THR A 67 9.075 -85.253 -17.409 1.00 52.41 H new ATOM 0 HG23 THR A 67 7.482 -84.465 -17.504 1.00 52.41 H new ATOM 1019 N ASN A 68 7.359 -81.374 -18.119 1.00 24.14 N ATOM 1020 CA ASN A 68 6.246 -80.748 -17.401 1.00 73.40 C ATOM 1021 C ASN A 68 4.976 -81.584 -17.577 1.00 73.12 C ATOM 1022 O ASN A 68 4.913 -82.456 -18.448 1.00 10.52 O ATOM 1023 CB ASN A 68 6.018 -79.317 -17.912 1.00 71.15 C ATOM 1024 CG ASN A 68 5.000 -78.531 -17.093 1.00 11.14 C ATOM 1025 OD1 ASN A 68 4.267 -77.702 -17.627 1.00 14.14 O ATOM 1026 ND2 ASN A 68 4.964 -78.762 -15.784 1.00 71.23 N ATOM 0 H ASN A 68 7.333 -81.242 -19.130 1.00 24.14 H new ATOM 0 HA ASN A 68 6.493 -80.700 -16.340 1.00 73.40 H new ATOM 0 HB2 ASN A 68 6.968 -78.782 -17.905 1.00 71.15 H new ATOM 0 HB3 ASN A 68 5.683 -79.359 -18.948 1.00 71.15 H new ATOM 0 HD21 ASN A 68 4.314 -78.244 -15.192 1.00 71.23 H new ATOM 0 HD22 ASN A 68 5.586 -79.457 -15.372 1.00 71.23 H new ATOM 1033 N ASN A 69 3.976 -81.324 -16.738 1.00 74.00 N ATOM 1034 CA ASN A 69 2.702 -82.037 -16.794 1.00 52.24 C ATOM 1035 C ASN A 69 1.551 -81.044 -16.748 1.00 5.25 C ATOM 1036 O ASN A 69 1.658 -79.998 -16.103 1.00 52.52 O ATOM 1037 CB ASN A 69 2.565 -83.009 -15.611 1.00 72.13 C ATOM 1038 CG ASN A 69 3.671 -84.045 -15.554 1.00 72.22 C ATOM 1039 OD1 ASN A 69 3.560 -85.125 -16.132 1.00 2.34 O ATOM 1040 ND2 ASN A 69 4.742 -83.726 -14.845 1.00 31.15 N ATOM 0 H ASN A 69 4.025 -80.617 -16.004 1.00 74.00 H new ATOM 0 HA ASN A 69 2.673 -82.602 -17.726 1.00 52.24 H new ATOM 0 HB2 ASN A 69 2.561 -82.440 -14.681 1.00 72.13 H new ATOM 0 HB3 ASN A 69 1.603 -83.518 -15.677 1.00 72.13 H new ATOM 0 HD21 ASN A 69 5.515 -84.387 -14.763 1.00 31.15 H new ATOM 0 HD22 ASN A 69 4.795 -82.819 -14.381 1.00 31.15 H new ATOM 1047 N GLU A 70 0.443 -81.389 -17.405 1.00 63.52 N ATOM 1048 CA GLU A 70 -0.779 -80.580 -17.368 1.00 54.22 C ATOM 1049 C GLU A 70 -1.294 -80.444 -15.928 1.00 23.41 C ATOM 1050 O GLU A 70 -2.116 -79.582 -15.622 1.00 22.31 O ATOM 1051 CB GLU A 70 -1.857 -81.220 -18.252 1.00 35.24 C ATOM 1052 CG GLU A 70 -2.214 -82.644 -17.839 1.00 73.50 C ATOM 1053 CD GLU A 70 -3.256 -83.274 -18.743 1.00 44.50 C ATOM 1054 OE1 GLU A 70 -2.874 -83.854 -19.781 1.00 22.30 O ATOM 1055 OE2 GLU A 70 -4.460 -83.188 -18.420 1.00 32.11 O ATOM 0 H GLU A 70 0.366 -82.231 -17.975 1.00 63.52 H new ATOM 0 HA GLU A 70 -0.548 -79.585 -17.748 1.00 54.22 H new ATOM 0 HB2 GLU A 70 -2.756 -80.604 -18.219 1.00 35.24 H new ATOM 0 HB3 GLU A 70 -1.512 -81.225 -19.286 1.00 35.24 H new ATOM 0 HG2 GLU A 70 -1.313 -83.257 -17.849 1.00 73.50 H new ATOM 0 HG3 GLU A 70 -2.585 -82.638 -16.814 1.00 73.50 H new ATOM 1062 N ASP A 71 -0.785 -81.315 -15.058 1.00 53.44 N ATOM 1063 CA ASP A 71 -1.127 -81.302 -13.636 1.00 52.32 C ATOM 1064 C ASP A 71 -0.621 -80.022 -12.963 1.00 60.33 C ATOM 1065 O ASP A 71 -1.103 -79.636 -11.893 1.00 61.33 O ATOM 1066 CB ASP A 71 -0.509 -82.538 -12.959 1.00 72.43 C ATOM 1067 CG ASP A 71 -0.646 -82.523 -11.443 1.00 73.01 C ATOM 1068 OD1 ASP A 71 -1.757 -82.782 -10.938 1.00 44.11 O ATOM 1069 OD2 ASP A 71 0.360 -82.252 -10.752 1.00 23.34 O ATOM 0 H ASP A 71 -0.125 -82.048 -15.318 1.00 53.44 H new ATOM 0 HA ASP A 71 -2.212 -81.328 -13.532 1.00 52.32 H new ATOM 0 HB2 ASP A 71 -0.986 -83.436 -13.352 1.00 72.43 H new ATOM 0 HB3 ASP A 71 0.547 -82.598 -13.221 1.00 72.43 H new ATOM 1074 N GLY A 72 0.333 -79.356 -13.607 1.00 2.22 N ATOM 1075 CA GLY A 72 0.923 -78.154 -13.044 1.00 24.21 C ATOM 1076 C GLY A 72 2.175 -78.456 -12.243 1.00 64.40 C ATOM 1077 O GLY A 72 2.552 -77.700 -11.344 1.00 24.14 O ATOM 0 H GLY A 72 0.710 -79.629 -14.514 1.00 2.22 H new ATOM 0 HA2 GLY A 72 1.166 -77.459 -13.848 1.00 24.21 H new ATOM 0 HA3 GLY A 72 0.194 -77.658 -12.403 1.00 24.21 H new ATOM 1081 N SER A 73 2.824 -79.567 -12.576 1.00 74.30 N ATOM 1082 CA SER A 73 4.043 -79.983 -11.897 1.00 53.52 C ATOM 1083 C SER A 73 5.116 -80.379 -12.910 1.00 5.24 C ATOM 1084 O SER A 73 4.810 -80.896 -13.991 1.00 20.32 O ATOM 1085 CB SER A 73 3.741 -81.150 -10.946 1.00 23.04 C ATOM 1086 OG SER A 73 3.090 -82.212 -11.624 1.00 33.31 O ATOM 0 H SER A 73 2.522 -80.199 -13.318 1.00 74.30 H new ATOM 0 HA SER A 73 4.422 -79.144 -11.314 1.00 53.52 H new ATOM 0 HB2 SER A 73 4.670 -81.512 -10.505 1.00 23.04 H new ATOM 0 HB3 SER A 73 3.114 -80.801 -10.126 1.00 23.04 H new ATOM 0 HG SER A 73 2.152 -82.252 -11.344 1.00 33.31 H new ATOM 1092 N VAL A 74 6.369 -80.108 -12.566 1.00 2.14 N ATOM 1093 CA VAL A 74 7.509 -80.500 -13.383 1.00 23.14 C ATOM 1094 C VAL A 74 8.170 -81.732 -12.771 1.00 45.15 C ATOM 1095 O VAL A 74 8.578 -81.714 -11.608 1.00 50.12 O ATOM 1096 CB VAL A 74 8.542 -79.348 -13.503 1.00 61.55 C ATOM 1097 CG1 VAL A 74 9.727 -79.764 -14.371 1.00 25.24 C ATOM 1098 CG2 VAL A 74 7.873 -78.093 -14.061 1.00 44.21 C ATOM 0 H VAL A 74 6.623 -79.610 -11.713 1.00 2.14 H new ATOM 0 HA VAL A 74 7.151 -80.732 -14.386 1.00 23.14 H new ATOM 0 HB VAL A 74 8.923 -79.123 -12.507 1.00 61.55 H new ATOM 0 HG11 VAL A 74 10.436 -78.939 -14.439 1.00 25.24 H new ATOM 0 HG12 VAL A 74 10.219 -80.629 -13.925 1.00 25.24 H new ATOM 0 HG13 VAL A 74 9.374 -80.022 -15.369 1.00 25.24 H new ATOM 0 HG21 VAL A 74 8.609 -77.293 -14.140 1.00 44.21 H new ATOM 0 HG22 VAL A 74 7.463 -78.307 -15.048 1.00 44.21 H new ATOM 0 HG23 VAL A 74 7.069 -77.782 -13.394 1.00 44.21 H new ATOM 1108 N SER A 75 8.257 -82.802 -13.552 1.00 24.41 N ATOM 1109 CA SER A 75 8.766 -84.079 -13.067 1.00 33.53 C ATOM 1110 C SER A 75 9.916 -84.574 -13.939 1.00 25.55 C ATOM 1111 O SER A 75 10.015 -84.218 -15.113 1.00 44.43 O ATOM 1112 CB SER A 75 7.633 -85.110 -13.058 1.00 45.42 C ATOM 1113 OG SER A 75 7.026 -85.203 -14.339 1.00 50.11 O ATOM 0 H SER A 75 7.979 -82.810 -14.533 1.00 24.41 H new ATOM 0 HA SER A 75 9.144 -83.942 -12.054 1.00 33.53 H new ATOM 0 HB2 SER A 75 8.024 -86.084 -12.764 1.00 45.42 H new ATOM 0 HB3 SER A 75 6.886 -84.829 -12.316 1.00 45.42 H new ATOM 0 HG SER A 75 7.623 -84.815 -15.013 1.00 50.11 H new ATOM 1119 N GLY A 76 10.767 -85.403 -13.360 1.00 32.44 N ATOM 1120 CA GLY A 76 11.882 -85.971 -14.086 1.00 51.54 C ATOM 1121 C GLY A 76 12.717 -86.860 -13.195 1.00 43.42 C ATOM 1122 O GLY A 76 12.281 -87.217 -12.104 1.00 53.55 O ATOM 0 H GLY A 76 10.704 -85.697 -12.385 1.00 32.44 H new ATOM 0 HA2 GLY A 76 11.512 -86.547 -14.934 1.00 51.54 H new ATOM 0 HA3 GLY A 76 12.502 -85.171 -14.490 1.00 51.54 H new ATOM 1126 N VAL A 77 13.904 -87.232 -13.659 1.00 42.05 N ATOM 1127 CA VAL A 77 14.828 -88.045 -12.873 1.00 43.44 C ATOM 1128 C VAL A 77 16.259 -87.553 -13.089 1.00 74.14 C ATOM 1129 O VAL A 77 16.654 -87.259 -14.224 1.00 42.33 O ATOM 1130 CB VAL A 77 14.753 -89.552 -13.252 1.00 53.04 C ATOM 1131 CG1 VAL A 77 15.643 -90.381 -12.329 1.00 73.25 C ATOM 1132 CG2 VAL A 77 13.314 -90.072 -13.218 1.00 44.22 C ATOM 0 H VAL A 77 14.253 -86.981 -14.584 1.00 42.05 H new ATOM 0 HA VAL A 77 14.539 -87.943 -11.827 1.00 43.44 H new ATOM 0 HB VAL A 77 15.116 -89.653 -14.275 1.00 53.04 H new ATOM 0 HG11 VAL A 77 15.578 -91.432 -12.609 1.00 73.25 H new ATOM 0 HG12 VAL A 77 16.676 -90.044 -12.420 1.00 73.25 H new ATOM 0 HG13 VAL A 77 15.312 -90.259 -11.298 1.00 73.25 H new ATOM 0 HG21 VAL A 77 13.302 -91.128 -13.488 1.00 44.22 H new ATOM 0 HG22 VAL A 77 12.907 -89.950 -12.214 1.00 44.22 H new ATOM 0 HG23 VAL A 77 12.707 -89.509 -13.927 1.00 44.22 H new ATOM 1142 N VAL A 78 17.017 -87.447 -12.000 1.00 11.12 N ATOM 1143 CA VAL A 78 18.428 -87.069 -12.059 1.00 13.11 C ATOM 1144 C VAL A 78 19.296 -88.240 -11.622 1.00 3.40 C ATOM 1145 O VAL A 78 18.945 -88.972 -10.693 1.00 63.53 O ATOM 1146 CB VAL A 78 18.741 -85.850 -11.149 1.00 55.53 C ATOM 1147 CG1 VAL A 78 20.242 -85.577 -11.083 1.00 52.34 C ATOM 1148 CG2 VAL A 78 17.998 -84.604 -11.617 1.00 23.42 C ATOM 0 H VAL A 78 16.673 -87.620 -11.055 1.00 11.12 H new ATOM 0 HA VAL A 78 18.646 -86.794 -13.091 1.00 13.11 H new ATOM 0 HB VAL A 78 18.394 -86.099 -10.146 1.00 55.53 H new ATOM 0 HG11 VAL A 78 20.428 -84.718 -10.438 1.00 52.34 H new ATOM 0 HG12 VAL A 78 20.753 -86.451 -10.679 1.00 52.34 H new ATOM 0 HG13 VAL A 78 20.618 -85.367 -12.084 1.00 52.34 H new ATOM 0 HG21 VAL A 78 18.238 -83.769 -10.959 1.00 23.42 H new ATOM 0 HG22 VAL A 78 18.299 -84.362 -12.636 1.00 23.42 H new ATOM 0 HG23 VAL A 78 16.924 -84.789 -11.591 1.00 23.42 H new ATOM 1158 N GLN A 79 20.420 -88.417 -12.300 1.00 61.04 N ATOM 1159 CA GLN A 79 21.382 -89.451 -11.957 1.00 72.34 C ATOM 1160 C GLN A 79 22.804 -88.922 -12.131 1.00 51.25 C ATOM 1161 O GLN A 79 23.082 -88.146 -13.051 1.00 1.41 O ATOM 1162 CB GLN A 79 21.150 -90.719 -12.805 1.00 75.34 C ATOM 1163 CG GLN A 79 20.382 -90.471 -14.101 1.00 65.40 C ATOM 1164 CD GLN A 79 20.312 -91.690 -15.004 1.00 13.34 C ATOM 1165 OE1 GLN A 79 20.310 -92.875 -14.412 1.00 12.03 O flip ATOM 1166 NE2 GLN A 79 20.259 -91.569 -16.226 1.00 41.24 N flip ATOM 0 H GLN A 79 20.690 -87.848 -13.102 1.00 61.04 H new ATOM 0 HA GLN A 79 21.244 -89.725 -10.911 1.00 72.34 H new ATOM 0 HB2 GLN A 79 22.116 -91.163 -13.047 1.00 75.34 H new ATOM 0 HB3 GLN A 79 20.605 -91.449 -12.206 1.00 75.34 H new ATOM 0 HG2 GLN A 79 19.369 -90.149 -13.858 1.00 65.40 H new ATOM 0 HG3 GLN A 79 20.855 -89.653 -14.644 1.00 65.40 H new ATOM 0 HE21 GLN A 79 20.263 -90.640 -16.647 1.00 41.24 H new ATOM 0 HE22 GLN A 79 20.211 -92.398 -16.819 1.00 41.24 H new ATOM 1175 N GLY A 80 23.681 -89.318 -11.219 1.00 73.20 N ATOM 1176 CA GLY A 80 25.068 -88.894 -11.259 1.00 70.11 C ATOM 1177 C GLY A 80 25.699 -88.957 -9.883 1.00 45.11 C ATOM 1178 O GLY A 80 25.137 -89.584 -8.984 1.00 30.00 O ATOM 0 H GLY A 80 23.452 -89.935 -10.440 1.00 73.20 H new ATOM 0 HA2 GLY A 80 25.626 -89.529 -11.947 1.00 70.11 H new ATOM 0 HA3 GLY A 80 25.129 -87.876 -11.644 1.00 70.11 H new ATOM 1182 N PRO A 81 26.871 -88.328 -9.680 1.00 21.24 N ATOM 1183 CA PRO A 81 27.531 -88.301 -8.370 1.00 24.25 C ATOM 1184 C PRO A 81 26.647 -87.657 -7.300 1.00 43.11 C ATOM 1185 O PRO A 81 25.918 -86.697 -7.575 1.00 61.12 O ATOM 1186 CB PRO A 81 28.802 -87.469 -8.603 1.00 14.12 C ATOM 1187 CG PRO A 81 28.582 -86.758 -9.898 1.00 1.43 C ATOM 1188 CD PRO A 81 27.646 -87.615 -10.706 1.00 73.32 C ATOM 0 HA PRO A 81 27.744 -89.305 -8.003 1.00 24.25 H new ATOM 0 HB2 PRO A 81 28.963 -86.762 -7.789 1.00 14.12 H new ATOM 0 HB3 PRO A 81 29.685 -88.106 -8.650 1.00 14.12 H new ATOM 0 HG2 PRO A 81 28.154 -85.770 -9.729 1.00 1.43 H new ATOM 0 HG3 PRO A 81 29.525 -86.612 -10.425 1.00 1.43 H new ATOM 0 HD2 PRO A 81 27.004 -87.014 -11.350 1.00 73.32 H new ATOM 0 HD3 PRO A 81 28.189 -88.305 -11.352 1.00 73.32 H new ATOM 1196 N LYS A 82 26.739 -88.187 -6.086 1.00 34.24 N ATOM 1197 CA LYS A 82 25.915 -87.756 -4.957 1.00 65.22 C ATOM 1198 C LYS A 82 25.901 -86.232 -4.817 1.00 10.03 C ATOM 1199 O LYS A 82 24.844 -85.629 -4.630 1.00 13.55 O ATOM 1200 CB LYS A 82 26.438 -88.436 -3.672 1.00 54.13 C ATOM 1201 CG LYS A 82 25.709 -88.080 -2.369 1.00 14.43 C ATOM 1202 CD LYS A 82 26.181 -86.747 -1.779 1.00 71.14 C ATOM 1203 CE LYS A 82 25.780 -86.589 -0.315 1.00 51.01 C ATOM 1204 NZ LYS A 82 24.310 -86.679 -0.107 1.00 4.33 N ATOM 0 H LYS A 82 27.393 -88.935 -5.853 1.00 34.24 H new ATOM 0 HA LYS A 82 24.882 -88.058 -5.132 1.00 65.22 H new ATOM 0 HB2 LYS A 82 26.384 -89.516 -3.810 1.00 54.13 H new ATOM 0 HB3 LYS A 82 27.491 -88.182 -3.555 1.00 54.13 H new ATOM 0 HG2 LYS A 82 24.637 -88.031 -2.558 1.00 14.43 H new ATOM 0 HG3 LYS A 82 25.868 -88.874 -1.639 1.00 14.43 H new ATOM 0 HD2 LYS A 82 27.265 -86.677 -1.866 1.00 71.14 H new ATOM 0 HD3 LYS A 82 25.761 -85.926 -2.360 1.00 71.14 H new ATOM 0 HE2 LYS A 82 26.274 -87.359 0.277 1.00 51.01 H new ATOM 0 HE3 LYS A 82 26.136 -85.627 0.053 1.00 51.01 H new ATOM 0 HZ1 LYS A 82 24.086 -86.464 0.886 1.00 4.33 H new ATOM 0 HZ2 LYS A 82 23.829 -85.995 -0.726 1.00 4.33 H new ATOM 0 HZ3 LYS A 82 23.985 -87.640 -0.335 1.00 4.33 H new ATOM 1218 N GLU A 83 27.074 -85.614 -4.928 1.00 45.34 N ATOM 1219 CA GLU A 83 27.206 -84.174 -4.699 1.00 53.14 C ATOM 1220 C GLU A 83 26.541 -83.360 -5.814 1.00 41.52 C ATOM 1221 O GLU A 83 25.989 -82.286 -5.561 1.00 1.31 O ATOM 1222 CB GLU A 83 28.682 -83.786 -4.551 1.00 53.44 C ATOM 1223 CG GLU A 83 29.573 -84.308 -5.666 1.00 34.25 C ATOM 1224 CD GLU A 83 30.994 -83.781 -5.572 1.00 42.22 C ATOM 1225 OE1 GLU A 83 31.726 -84.194 -4.650 1.00 25.22 O ATOM 1226 OE2 GLU A 83 31.384 -82.940 -6.413 1.00 53.32 O ATOM 0 H GLU A 83 27.945 -86.084 -5.174 1.00 45.34 H new ATOM 0 HA GLU A 83 26.688 -83.939 -3.769 1.00 53.14 H new ATOM 0 HB2 GLU A 83 28.760 -82.699 -4.516 1.00 53.44 H new ATOM 0 HB3 GLU A 83 29.052 -84.163 -3.597 1.00 53.44 H new ATOM 0 HG2 GLU A 83 29.590 -85.397 -5.633 1.00 34.25 H new ATOM 0 HG3 GLU A 83 29.147 -84.025 -6.629 1.00 34.25 H new ATOM 1233 N GLN A 84 26.579 -83.874 -7.042 1.00 71.32 N ATOM 1234 CA GLN A 84 25.964 -83.188 -8.178 1.00 73.41 C ATOM 1235 C GLN A 84 24.443 -83.329 -8.130 1.00 4.41 C ATOM 1236 O GLN A 84 23.715 -82.366 -8.370 1.00 35.12 O ATOM 1237 CB GLN A 84 26.516 -83.715 -9.512 1.00 70.43 C ATOM 1238 CG GLN A 84 27.793 -83.017 -9.976 1.00 43.51 C ATOM 1239 CD GLN A 84 28.940 -83.128 -8.989 1.00 53.33 C ATOM 1240 OE1 GLN A 84 29.730 -84.070 -9.039 1.00 64.14 O ATOM 1241 NE2 GLN A 84 29.051 -82.161 -8.092 1.00 5.13 N ATOM 0 H GLN A 84 27.027 -84.760 -7.276 1.00 71.32 H new ATOM 0 HA GLN A 84 26.216 -82.130 -8.108 1.00 73.41 H new ATOM 0 HB2 GLN A 84 26.713 -84.783 -9.415 1.00 70.43 H new ATOM 0 HB3 GLN A 84 25.752 -83.600 -10.280 1.00 70.43 H new ATOM 0 HG2 GLN A 84 28.103 -83.443 -10.930 1.00 43.51 H new ATOM 0 HG3 GLN A 84 27.577 -81.963 -10.152 1.00 43.51 H new ATOM 0 HE21 GLN A 84 28.377 -81.396 -8.081 1.00 5.13 H new ATOM 0 HE22 GLN A 84 29.811 -82.181 -7.412 1.00 5.13 H new ATOM 1250 N VAL A 85 23.970 -84.533 -7.825 1.00 33.13 N ATOM 1251 CA VAL A 85 22.541 -84.761 -7.614 1.00 22.34 C ATOM 1252 C VAL A 85 22.050 -83.843 -6.497 1.00 73.43 C ATOM 1253 O VAL A 85 21.014 -83.189 -6.619 1.00 53.31 O ATOM 1254 CB VAL A 85 22.250 -86.242 -7.250 1.00 44.11 C ATOM 1255 CG1 VAL A 85 20.760 -86.466 -6.990 1.00 71.00 C ATOM 1256 CG2 VAL A 85 22.747 -87.176 -8.353 1.00 25.24 C ATOM 0 H VAL A 85 24.551 -85.364 -7.718 1.00 33.13 H new ATOM 0 HA VAL A 85 22.013 -84.539 -8.541 1.00 22.34 H new ATOM 0 HB VAL A 85 22.790 -86.471 -6.331 1.00 44.11 H new ATOM 0 HG11 VAL A 85 20.588 -87.512 -6.738 1.00 71.00 H new ATOM 0 HG12 VAL A 85 20.436 -85.835 -6.162 1.00 71.00 H new ATOM 0 HG13 VAL A 85 20.192 -86.210 -7.885 1.00 71.00 H new ATOM 0 HG21 VAL A 85 22.534 -88.209 -8.079 1.00 25.24 H new ATOM 0 HG22 VAL A 85 22.240 -86.937 -9.288 1.00 25.24 H new ATOM 0 HG23 VAL A 85 23.822 -87.049 -8.480 1.00 25.24 H new ATOM 1266 N ASP A 86 22.840 -83.777 -5.427 1.00 15.30 N ATOM 1267 CA ASP A 86 22.567 -82.888 -4.298 1.00 63.23 C ATOM 1268 C ASP A 86 22.514 -81.433 -4.764 1.00 64.31 C ATOM 1269 O ASP A 86 21.662 -80.659 -4.324 1.00 72.04 O ATOM 1270 CB ASP A 86 23.649 -83.059 -3.222 1.00 35.40 C ATOM 1271 CG ASP A 86 23.463 -82.124 -2.034 1.00 14.31 C ATOM 1272 OD1 ASP A 86 22.635 -82.434 -1.151 1.00 61.35 O ATOM 1273 OD2 ASP A 86 24.159 -81.088 -1.968 1.00 32.10 O ATOM 0 H ASP A 86 23.686 -84.337 -5.318 1.00 15.30 H new ATOM 0 HA ASP A 86 21.598 -83.151 -3.873 1.00 63.23 H new ATOM 0 HB2 ASP A 86 23.643 -84.090 -2.869 1.00 35.40 H new ATOM 0 HB3 ASP A 86 24.628 -82.880 -3.668 1.00 35.40 H new ATOM 1278 N ALA A 87 23.428 -81.074 -5.666 1.00 21.34 N ATOM 1279 CA ALA A 87 23.458 -79.736 -6.251 1.00 34.53 C ATOM 1280 C ALA A 87 22.142 -79.431 -6.958 1.00 20.20 C ATOM 1281 O ALA A 87 21.579 -78.344 -6.807 1.00 62.15 O ATOM 1282 CB ALA A 87 24.623 -79.609 -7.227 1.00 10.13 C ATOM 0 H ALA A 87 24.161 -81.696 -6.008 1.00 21.34 H new ATOM 0 HA ALA A 87 23.595 -79.013 -5.447 1.00 34.53 H new ATOM 0 HB1 ALA A 87 24.632 -78.606 -7.655 1.00 10.13 H new ATOM 0 HB2 ALA A 87 25.560 -79.787 -6.700 1.00 10.13 H new ATOM 0 HB3 ALA A 87 24.511 -80.343 -8.025 1.00 10.13 H new ATOM 1288 N PHE A 88 21.653 -80.406 -7.720 1.00 23.24 N ATOM 1289 CA PHE A 88 20.402 -80.248 -8.452 1.00 53.22 C ATOM 1290 C PHE A 88 19.239 -80.109 -7.468 1.00 41.43 C ATOM 1291 O PHE A 88 18.325 -79.314 -7.683 1.00 24.23 O ATOM 1292 CB PHE A 88 20.172 -81.438 -9.397 1.00 13.44 C ATOM 1293 CG PHE A 88 19.212 -81.134 -10.524 1.00 60.45 C ATOM 1294 CD1 PHE A 88 17.841 -81.279 -10.359 1.00 41.43 C ATOM 1295 CD2 PHE A 88 19.690 -80.700 -11.752 1.00 2.04 C ATOM 1296 CE1 PHE A 88 16.970 -80.999 -11.396 1.00 43.45 C ATOM 1297 CE2 PHE A 88 18.823 -80.419 -12.790 1.00 65.45 C ATOM 1298 CZ PHE A 88 17.461 -80.568 -12.613 1.00 72.11 C ATOM 0 H PHE A 88 22.104 -81.312 -7.846 1.00 23.24 H new ATOM 0 HA PHE A 88 20.461 -79.344 -9.058 1.00 53.22 H new ATOM 0 HB2 PHE A 88 21.128 -81.748 -9.818 1.00 13.44 H new ATOM 0 HB3 PHE A 88 19.789 -82.281 -8.821 1.00 13.44 H new ATOM 0 HD1 PHE A 88 17.450 -81.614 -9.410 1.00 41.43 H new ATOM 0 HD2 PHE A 88 20.753 -80.580 -11.898 1.00 2.04 H new ATOM 0 HE1 PHE A 88 15.906 -81.117 -11.254 1.00 43.45 H new ATOM 0 HE2 PHE A 88 19.210 -80.083 -13.740 1.00 65.45 H new ATOM 0 HZ PHE A 88 16.782 -80.348 -13.424 1.00 72.11 H new ATOM 1308 N VAL A 89 19.285 -80.889 -6.385 1.00 5.13 N ATOM 1309 CA VAL A 89 18.299 -80.779 -5.305 1.00 63.22 C ATOM 1310 C VAL A 89 18.316 -79.367 -4.718 1.00 22.42 C ATOM 1311 O VAL A 89 17.265 -78.775 -4.450 1.00 63.11 O ATOM 1312 CB VAL A 89 18.569 -81.801 -4.166 1.00 62.24 C ATOM 1313 CG1 VAL A 89 17.580 -81.620 -3.014 1.00 41.30 C ATOM 1314 CG2 VAL A 89 18.512 -83.232 -4.693 1.00 71.34 C ATOM 0 H VAL A 89 19.995 -81.605 -6.232 1.00 5.13 H new ATOM 0 HA VAL A 89 17.323 -80.996 -5.738 1.00 63.22 H new ATOM 0 HB VAL A 89 19.573 -81.612 -3.786 1.00 62.24 H new ATOM 0 HG11 VAL A 89 17.794 -82.349 -2.233 1.00 41.30 H new ATOM 0 HG12 VAL A 89 17.676 -80.613 -2.607 1.00 41.30 H new ATOM 0 HG13 VAL A 89 16.564 -81.768 -3.380 1.00 41.30 H new ATOM 0 HG21 VAL A 89 18.704 -83.928 -3.877 1.00 71.34 H new ATOM 0 HG22 VAL A 89 17.524 -83.427 -5.111 1.00 71.34 H new ATOM 0 HG23 VAL A 89 19.267 -83.365 -5.468 1.00 71.34 H new ATOM 1324 N LYS A 90 19.521 -78.836 -4.533 1.00 72.24 N ATOM 1325 CA LYS A 90 19.714 -77.494 -3.987 1.00 63.21 C ATOM 1326 C LYS A 90 19.047 -76.466 -4.901 1.00 31.12 C ATOM 1327 O LYS A 90 18.301 -75.593 -4.451 1.00 14.12 O ATOM 1328 CB LYS A 90 21.219 -77.201 -3.861 1.00 12.24 C ATOM 1329 CG LYS A 90 21.564 -76.085 -2.882 1.00 73.32 C ATOM 1330 CD LYS A 90 21.219 -76.480 -1.448 1.00 40.24 C ATOM 1331 CE LYS A 90 21.791 -75.502 -0.433 1.00 1.53 C ATOM 1332 NZ LYS A 90 21.507 -75.934 0.959 1.00 60.33 N ATOM 0 H LYS A 90 20.390 -79.321 -4.756 1.00 72.24 H new ATOM 0 HA LYS A 90 19.259 -77.433 -2.999 1.00 63.21 H new ATOM 0 HB2 LYS A 90 21.729 -78.112 -3.549 1.00 12.24 H new ATOM 0 HB3 LYS A 90 21.609 -76.938 -4.844 1.00 12.24 H new ATOM 0 HG2 LYS A 90 22.627 -75.852 -2.952 1.00 73.32 H new ATOM 0 HG3 LYS A 90 21.021 -75.180 -3.153 1.00 73.32 H new ATOM 0 HD2 LYS A 90 20.136 -76.527 -1.336 1.00 40.24 H new ATOM 0 HD3 LYS A 90 21.604 -77.479 -1.245 1.00 40.24 H new ATOM 0 HE2 LYS A 90 22.868 -75.416 -0.576 1.00 1.53 H new ATOM 0 HE3 LYS A 90 21.367 -74.512 -0.601 1.00 1.53 H new ATOM 0 HZ1 LYS A 90 21.911 -75.245 1.625 1.00 60.33 H new ATOM 0 HZ2 LYS A 90 20.478 -75.992 1.102 1.00 60.33 H new ATOM 0 HZ3 LYS A 90 21.933 -76.868 1.126 1.00 60.33 H new ATOM 1346 N TYR A 91 19.319 -76.604 -6.196 1.00 10.11 N ATOM 1347 CA TYR A 91 18.721 -75.758 -7.225 1.00 12.44 C ATOM 1348 C TYR A 91 17.198 -75.901 -7.220 1.00 44.40 C ATOM 1349 O TYR A 91 16.467 -74.912 -7.304 1.00 2.03 O ATOM 1350 CB TYR A 91 19.300 -76.150 -8.596 1.00 54.24 C ATOM 1351 CG TYR A 91 18.566 -75.568 -9.793 1.00 52.31 C ATOM 1352 CD1 TYR A 91 18.807 -74.269 -10.226 1.00 71.31 C ATOM 1353 CD2 TYR A 91 17.632 -76.327 -10.491 1.00 52.30 C ATOM 1354 CE1 TYR A 91 18.140 -73.746 -11.319 1.00 23.41 C ATOM 1355 CE2 TYR A 91 16.964 -75.812 -11.582 1.00 24.51 C ATOM 1356 CZ TYR A 91 17.218 -74.522 -11.990 1.00 4.44 C ATOM 1357 OH TYR A 91 16.545 -74.004 -13.075 1.00 53.33 O ATOM 0 H TYR A 91 19.961 -77.307 -6.562 1.00 10.11 H new ATOM 0 HA TYR A 91 18.957 -74.714 -7.019 1.00 12.44 H new ATOM 0 HB2 TYR A 91 20.342 -75.832 -8.638 1.00 54.24 H new ATOM 0 HB3 TYR A 91 19.295 -77.237 -8.679 1.00 54.24 H new ATOM 0 HD1 TYR A 91 19.526 -73.659 -9.701 1.00 71.31 H new ATOM 0 HD2 TYR A 91 17.426 -77.338 -10.173 1.00 52.30 H new ATOM 0 HE1 TYR A 91 18.340 -72.736 -11.645 1.00 23.41 H new ATOM 0 HE2 TYR A 91 16.245 -76.418 -12.114 1.00 24.51 H new ATOM 0 HH TYR A 91 15.783 -73.473 -12.764 1.00 53.33 H new ATOM 1367 N LEU A 92 16.735 -77.140 -7.095 1.00 51.34 N ATOM 1368 CA LEU A 92 15.309 -77.454 -7.132 1.00 60.14 C ATOM 1369 C LEU A 92 14.585 -76.787 -5.959 1.00 5.34 C ATOM 1370 O LEU A 92 13.497 -76.228 -6.117 1.00 21.55 O ATOM 1371 CB LEU A 92 15.107 -78.984 -7.086 1.00 42.10 C ATOM 1372 CG LEU A 92 13.995 -79.543 -7.994 1.00 14.12 C ATOM 1373 CD1 LEU A 92 12.647 -78.905 -7.680 1.00 1.11 C ATOM 1374 CD2 LEU A 92 14.357 -79.352 -9.465 1.00 4.50 C ATOM 0 H LEU A 92 17.335 -77.954 -6.965 1.00 51.34 H new ATOM 0 HA LEU A 92 14.888 -77.069 -8.061 1.00 60.14 H new ATOM 0 HB2 LEU A 92 16.047 -79.464 -7.358 1.00 42.10 H new ATOM 0 HB3 LEU A 92 14.889 -79.272 -6.058 1.00 42.10 H new ATOM 0 HG LEU A 92 13.907 -80.611 -7.796 1.00 14.12 H new ATOM 0 HD11 LEU A 92 11.885 -79.322 -8.339 1.00 1.11 H new ATOM 0 HD12 LEU A 92 12.381 -79.108 -6.643 1.00 1.11 H new ATOM 0 HD13 LEU A 92 12.710 -77.828 -7.834 1.00 1.11 H new ATOM 0 HD21 LEU A 92 13.560 -79.753 -10.091 1.00 4.50 H new ATOM 0 HD22 LEU A 92 14.483 -78.290 -9.674 1.00 4.50 H new ATOM 0 HD23 LEU A 92 15.287 -79.877 -9.682 1.00 4.50 H new ATOM 1386 N HIS A 93 15.213 -76.830 -4.785 1.00 5.42 N ATOM 1387 CA HIS A 93 14.618 -76.290 -3.562 1.00 23.34 C ATOM 1388 C HIS A 93 14.608 -74.766 -3.569 1.00 11.23 C ATOM 1389 O HIS A 93 13.926 -74.143 -2.753 1.00 14.15 O ATOM 1390 CB HIS A 93 15.352 -76.813 -2.321 1.00 35.40 C ATOM 1391 CG HIS A 93 14.947 -78.202 -1.932 1.00 30.45 C ATOM 1392 ND1 HIS A 93 14.534 -78.533 -0.661 1.00 2.31 N ATOM 1393 CD2 HIS A 93 14.883 -79.344 -2.654 1.00 73.34 C ATOM 1394 CE1 HIS A 93 14.233 -79.815 -0.617 1.00 65.23 C ATOM 1395 NE2 HIS A 93 14.435 -80.332 -1.814 1.00 2.30 N ATOM 0 H HIS A 93 16.140 -77.236 -4.654 1.00 5.42 H new ATOM 0 HA HIS A 93 13.583 -76.631 -3.525 1.00 23.34 H new ATOM 0 HB2 HIS A 93 16.426 -76.794 -2.508 1.00 35.40 H new ATOM 0 HB3 HIS A 93 15.163 -76.140 -1.485 1.00 35.40 H new ATOM 0 HD2 HIS A 93 15.137 -79.457 -3.698 1.00 73.34 H new ATOM 0 HE1 HIS A 93 13.881 -80.352 0.252 1.00 65.23 H new ATOM 0 HE2 HIS A 93 14.283 -81.307 -2.073 1.00 2.30 H new ATOM 1404 N LYS A 94 15.366 -74.167 -4.481 1.00 64.43 N ATOM 1405 CA LYS A 94 15.362 -72.716 -4.636 1.00 13.01 C ATOM 1406 C LYS A 94 14.021 -72.272 -5.223 1.00 4.10 C ATOM 1407 O LYS A 94 13.519 -71.185 -4.916 1.00 53.20 O ATOM 1408 CB LYS A 94 16.538 -72.262 -5.518 1.00 13.44 C ATOM 1409 CG LYS A 94 16.681 -70.745 -5.628 1.00 34.11 C ATOM 1410 CD LYS A 94 17.937 -70.324 -6.399 1.00 31.12 C ATOM 1411 CE LYS A 94 19.227 -70.526 -5.594 1.00 75.41 C ATOM 1412 NZ LYS A 94 19.572 -71.960 -5.399 1.00 1.31 N ATOM 0 H LYS A 94 15.988 -74.660 -5.121 1.00 64.43 H new ATOM 0 HA LYS A 94 15.488 -72.247 -3.660 1.00 13.01 H new ATOM 0 HB2 LYS A 94 17.462 -72.676 -5.115 1.00 13.44 H new ATOM 0 HB3 LYS A 94 16.412 -72.678 -6.517 1.00 13.44 H new ATOM 0 HG2 LYS A 94 15.801 -70.336 -6.124 1.00 34.11 H new ATOM 0 HG3 LYS A 94 16.712 -70.314 -4.628 1.00 34.11 H new ATOM 0 HD2 LYS A 94 17.998 -70.897 -7.324 1.00 31.12 H new ATOM 0 HD3 LYS A 94 17.850 -69.274 -6.679 1.00 31.12 H new ATOM 0 HE2 LYS A 94 20.050 -70.026 -6.105 1.00 75.41 H new ATOM 0 HE3 LYS A 94 19.120 -70.048 -4.620 1.00 75.41 H new ATOM 0 HZ1 LYS A 94 20.601 -72.084 -5.484 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 19.264 -72.266 -4.454 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 19.093 -72.534 -6.122 1.00 1.31 H new ATOM 1426 N GLY A 95 13.437 -73.141 -6.048 1.00 31.54 N ATOM 1427 CA GLY A 95 12.118 -72.893 -6.605 1.00 21.24 C ATOM 1428 C GLY A 95 12.155 -72.019 -7.844 1.00 10.52 C ATOM 1429 O GLY A 95 13.225 -71.601 -8.288 1.00 3.03 O ATOM 0 H GLY A 95 13.861 -74.021 -6.342 1.00 31.54 H new ATOM 0 HA2 GLY A 95 11.649 -73.845 -6.852 1.00 21.24 H new ATOM 0 HA3 GLY A 95 11.494 -72.417 -5.849 1.00 21.24 H new ATOM 1433 N SER A 96 10.979 -71.751 -8.409 1.00 75.45 N ATOM 1434 CA SER A 96 10.861 -70.887 -9.577 1.00 64.44 C ATOM 1435 C SER A 96 10.846 -69.418 -9.140 1.00 73.22 C ATOM 1436 O SER A 96 10.074 -69.038 -8.260 1.00 41.20 O ATOM 1437 CB SER A 96 9.589 -71.236 -10.358 1.00 73.31 C ATOM 1438 OG SER A 96 9.594 -72.602 -10.740 1.00 75.44 O ATOM 0 H SER A 96 10.091 -72.123 -8.073 1.00 75.45 H new ATOM 0 HA SER A 96 11.720 -71.043 -10.230 1.00 64.44 H new ATOM 0 HB2 SER A 96 8.712 -71.028 -9.746 1.00 73.31 H new ATOM 0 HB3 SER A 96 9.516 -70.606 -11.244 1.00 73.31 H new ATOM 0 HG SER A 96 8.774 -72.806 -11.236 1.00 75.44 H new ATOM 1444 N PRO A 97 11.688 -68.569 -9.760 1.00 15.32 N ATOM 1445 CA PRO A 97 11.865 -67.171 -9.332 1.00 63.34 C ATOM 1446 C PRO A 97 10.597 -66.332 -9.499 1.00 3.15 C ATOM 1447 O PRO A 97 10.438 -65.298 -8.848 1.00 13.01 O ATOM 1448 CB PRO A 97 12.987 -66.652 -10.248 1.00 53.52 C ATOM 1449 CG PRO A 97 12.947 -67.546 -11.444 1.00 13.42 C ATOM 1450 CD PRO A 97 12.530 -68.897 -10.928 1.00 51.42 C ATOM 0 HA PRO A 97 12.100 -67.103 -8.270 1.00 63.34 H new ATOM 0 HB2 PRO A 97 12.821 -65.611 -10.526 1.00 53.52 H new ATOM 0 HB3 PRO A 97 13.956 -66.698 -9.752 1.00 53.52 H new ATOM 0 HG2 PRO A 97 12.240 -67.175 -12.187 1.00 13.42 H new ATOM 0 HG3 PRO A 97 13.922 -67.596 -11.929 1.00 13.42 H new ATOM 0 HD2 PRO A 97 11.975 -69.461 -11.678 1.00 51.42 H new ATOM 0 HD3 PRO A 97 13.391 -69.503 -10.646 1.00 51.42 H new ATOM 1458 N LYS A 98 9.690 -66.778 -10.367 1.00 53.54 N ATOM 1459 CA LYS A 98 8.477 -66.015 -10.663 1.00 24.34 C ATOM 1460 C LYS A 98 7.215 -66.824 -10.348 1.00 74.31 C ATOM 1461 O LYS A 98 6.103 -66.411 -10.691 1.00 21.32 O ATOM 1462 CB LYS A 98 8.475 -65.573 -12.133 1.00 51.22 C ATOM 1463 CG LYS A 98 8.282 -66.708 -13.137 1.00 43.41 C ATOM 1464 CD LYS A 98 8.354 -66.201 -14.577 1.00 31.02 C ATOM 1465 CE LYS A 98 7.883 -67.249 -15.579 1.00 2.21 C ATOM 1466 NZ LYS A 98 6.419 -67.504 -15.472 1.00 75.23 N ATOM 0 H LYS A 98 9.771 -67.659 -10.875 1.00 53.54 H new ATOM 0 HA LYS A 98 8.473 -65.131 -10.025 1.00 24.34 H new ATOM 0 HB2 LYS A 98 7.682 -64.839 -12.277 1.00 51.22 H new ATOM 0 HB3 LYS A 98 9.418 -65.070 -12.349 1.00 51.22 H new ATOM 0 HG2 LYS A 98 9.047 -67.468 -12.979 1.00 43.41 H new ATOM 0 HG3 LYS A 98 7.317 -67.186 -12.966 1.00 43.41 H new ATOM 0 HD2 LYS A 98 7.742 -65.305 -14.676 1.00 31.02 H new ATOM 0 HD3 LYS A 98 9.380 -65.914 -14.809 1.00 31.02 H new ATOM 0 HE2 LYS A 98 8.120 -66.917 -16.590 1.00 2.21 H new ATOM 0 HE3 LYS A 98 8.426 -68.179 -15.413 1.00 2.21 H new ATOM 0 HZ1 LYS A 98 6.093 -68.017 -16.316 1.00 75.23 H new ATOM 0 HZ2 LYS A 98 6.227 -68.075 -14.624 1.00 75.23 H new ATOM 0 HZ3 LYS A 98 5.913 -66.598 -15.401 1.00 75.23 H new ATOM 1480 N SER A 99 7.381 -67.958 -9.674 1.00 22.33 N ATOM 1481 CA SER A 99 6.250 -68.821 -9.339 1.00 33.13 C ATOM 1482 C SER A 99 6.528 -69.581 -8.044 1.00 51.15 C ATOM 1483 O SER A 99 7.566 -70.232 -7.904 1.00 65.20 O ATOM 1484 CB SER A 99 5.959 -69.804 -10.485 1.00 24.15 C ATOM 1485 OG SER A 99 4.775 -70.549 -10.237 1.00 42.35 O ATOM 0 H SER A 99 8.285 -68.301 -9.349 1.00 22.33 H new ATOM 0 HA SER A 99 5.370 -68.194 -9.194 1.00 33.13 H new ATOM 0 HB2 SER A 99 5.856 -69.255 -11.421 1.00 24.15 H new ATOM 0 HB3 SER A 99 6.801 -70.485 -10.606 1.00 24.15 H new ATOM 0 HG SER A 99 4.273 -70.654 -11.072 1.00 42.35 H new ATOM 1491 N VAL A 100 5.599 -69.480 -7.100 1.00 74.22 N ATOM 1492 CA VAL A 100 5.733 -70.137 -5.808 1.00 45.42 C ATOM 1493 C VAL A 100 5.482 -71.636 -5.944 1.00 51.00 C ATOM 1494 O VAL A 100 4.442 -72.056 -6.457 1.00 74.34 O ATOM 1495 CB VAL A 100 4.746 -69.541 -4.770 1.00 21.34 C ATOM 1496 CG1 VAL A 100 4.914 -70.212 -3.406 1.00 13.01 C ATOM 1497 CG2 VAL A 100 4.928 -68.026 -4.660 1.00 20.43 C ATOM 0 H VAL A 100 4.738 -68.944 -7.209 1.00 74.22 H new ATOM 0 HA VAL A 100 6.751 -69.970 -5.457 1.00 45.42 H new ATOM 0 HB VAL A 100 3.731 -69.737 -5.116 1.00 21.34 H new ATOM 0 HG11 VAL A 100 4.211 -69.776 -2.697 1.00 13.01 H new ATOM 0 HG12 VAL A 100 4.719 -71.280 -3.500 1.00 13.01 H new ATOM 0 HG13 VAL A 100 5.932 -70.059 -3.048 1.00 13.01 H new ATOM 0 HG21 VAL A 100 4.227 -67.628 -3.927 1.00 20.43 H new ATOM 0 HG22 VAL A 100 5.948 -67.804 -4.345 1.00 20.43 H new ATOM 0 HG23 VAL A 100 4.740 -67.566 -5.630 1.00 20.43 H new ATOM 1507 N VAL A 101 6.444 -72.436 -5.499 1.00 73.33 N ATOM 1508 CA VAL A 101 6.315 -73.886 -5.545 1.00 33.12 C ATOM 1509 C VAL A 101 5.291 -74.369 -4.517 1.00 14.21 C ATOM 1510 O VAL A 101 5.280 -73.913 -3.371 1.00 71.23 O ATOM 1511 CB VAL A 101 7.677 -74.593 -5.308 1.00 1.53 C ATOM 1512 CG1 VAL A 101 8.659 -74.249 -6.426 1.00 0.11 C ATOM 1513 CG2 VAL A 101 8.260 -74.226 -3.940 1.00 23.20 C ATOM 0 H VAL A 101 7.323 -72.104 -5.102 1.00 73.33 H new ATOM 0 HA VAL A 101 5.969 -74.148 -6.545 1.00 33.12 H new ATOM 0 HB VAL A 101 7.506 -75.669 -5.318 1.00 1.53 H new ATOM 0 HG11 VAL A 101 9.608 -74.753 -6.244 1.00 0.11 H new ATOM 0 HG12 VAL A 101 8.251 -74.577 -7.382 1.00 0.11 H new ATOM 0 HG13 VAL A 101 8.819 -73.171 -6.451 1.00 0.11 H new ATOM 0 HG21 VAL A 101 9.213 -74.736 -3.802 1.00 23.20 H new ATOM 0 HG22 VAL A 101 8.414 -73.148 -3.887 1.00 23.20 H new ATOM 0 HG23 VAL A 101 7.568 -74.532 -3.156 1.00 23.20 H new ATOM 1523 N LYS A 102 4.416 -75.269 -4.950 1.00 25.24 N ATOM 1524 CA LYS A 102 3.391 -75.842 -4.087 1.00 22.23 C ATOM 1525 C LYS A 102 4.018 -76.896 -3.175 1.00 52.51 C ATOM 1526 O LYS A 102 3.631 -77.041 -2.015 1.00 64.20 O ATOM 1527 CB LYS A 102 2.275 -76.453 -4.951 1.00 14.41 C ATOM 1528 CG LYS A 102 1.037 -76.909 -4.177 1.00 2.24 C ATOM 1529 CD LYS A 102 -0.082 -77.337 -5.129 1.00 35.55 C ATOM 1530 CE LYS A 102 -1.363 -77.709 -4.389 1.00 34.44 C ATOM 1531 NZ LYS A 102 -1.201 -78.933 -3.559 1.00 11.03 N ATOM 0 H LYS A 102 4.397 -75.621 -5.907 1.00 25.24 H new ATOM 0 HA LYS A 102 2.955 -75.063 -3.461 1.00 22.23 H new ATOM 0 HB2 LYS A 102 1.969 -75.719 -5.696 1.00 14.41 H new ATOM 0 HB3 LYS A 102 2.682 -77.307 -5.493 1.00 14.41 H new ATOM 0 HG2 LYS A 102 1.299 -77.740 -3.522 1.00 2.24 H new ATOM 0 HG3 LYS A 102 0.685 -76.099 -3.538 1.00 2.24 H new ATOM 0 HD2 LYS A 102 -0.291 -76.527 -5.827 1.00 35.55 H new ATOM 0 HD3 LYS A 102 0.254 -78.189 -5.720 1.00 35.55 H new ATOM 0 HE2 LYS A 102 -1.666 -76.878 -3.752 1.00 34.44 H new ATOM 0 HE3 LYS A 102 -2.164 -77.866 -5.111 1.00 34.44 H new ATOM 0 HZ1 LYS A 102 -2.106 -79.165 -3.103 1.00 11.03 H new ATOM 0 HZ2 LYS A 102 -0.905 -79.726 -4.164 1.00 11.03 H new ATOM 0 HZ3 LYS A 102 -0.479 -78.765 -2.830 1.00 11.03 H new ATOM 1545 N LYS A 103 5.006 -77.611 -3.717 1.00 12.03 N ATOM 1546 CA LYS A 103 5.750 -78.632 -2.975 1.00 72.44 C ATOM 1547 C LYS A 103 6.804 -79.273 -3.873 1.00 14.24 C ATOM 1548 O LYS A 103 6.571 -79.467 -5.069 1.00 53.50 O ATOM 1549 CB LYS A 103 4.809 -79.725 -2.429 1.00 61.22 C ATOM 1550 CG LYS A 103 5.535 -80.898 -1.761 1.00 3.35 C ATOM 1551 CD LYS A 103 4.570 -81.958 -1.218 1.00 22.31 C ATOM 1552 CE LYS A 103 3.946 -81.556 0.120 1.00 15.43 C ATOM 1553 NZ LYS A 103 3.108 -80.332 0.022 1.00 35.52 N ATOM 0 H LYS A 103 5.313 -77.499 -4.683 1.00 12.03 H new ATOM 0 HA LYS A 103 6.236 -78.141 -2.132 1.00 72.44 H new ATOM 0 HB2 LYS A 103 4.127 -79.275 -1.707 1.00 61.22 H new ATOM 0 HB3 LYS A 103 4.200 -80.107 -3.248 1.00 61.22 H new ATOM 0 HG2 LYS A 103 6.209 -81.361 -2.482 1.00 3.35 H new ATOM 0 HG3 LYS A 103 6.151 -80.521 -0.945 1.00 3.35 H new ATOM 0 HD2 LYS A 103 3.778 -82.130 -1.947 1.00 22.31 H new ATOM 0 HD3 LYS A 103 5.103 -82.901 -1.097 1.00 22.31 H new ATOM 0 HE2 LYS A 103 3.336 -82.379 0.493 1.00 15.43 H new ATOM 0 HE3 LYS A 103 4.739 -81.390 0.850 1.00 15.43 H new ATOM 0 HZ1 LYS A 103 2.377 -80.351 0.762 1.00 35.52 H new ATOM 0 HZ2 LYS A 103 3.706 -79.491 0.148 1.00 35.52 H new ATOM 0 HZ3 LYS A 103 2.653 -80.296 -0.913 1.00 35.52 H new ATOM 1567 N VAL A 104 7.962 -79.585 -3.299 1.00 20.25 N ATOM 1568 CA VAL A 104 9.006 -80.329 -4.003 1.00 63.52 C ATOM 1569 C VAL A 104 9.073 -81.755 -3.455 1.00 23.40 C ATOM 1570 O VAL A 104 9.054 -81.959 -2.238 1.00 41.12 O ATOM 1571 CB VAL A 104 10.396 -79.642 -3.882 1.00 12.25 C ATOM 1572 CG1 VAL A 104 10.790 -79.441 -2.421 1.00 24.45 C ATOM 1573 CG2 VAL A 104 11.466 -80.440 -4.630 1.00 13.11 C ATOM 0 H VAL A 104 8.204 -79.333 -2.341 1.00 20.25 H new ATOM 0 HA VAL A 104 8.748 -80.350 -5.062 1.00 63.52 H new ATOM 0 HB VAL A 104 10.321 -78.658 -4.344 1.00 12.25 H new ATOM 0 HG11 VAL A 104 11.766 -78.959 -2.370 1.00 24.45 H new ATOM 0 HG12 VAL A 104 10.049 -78.813 -1.927 1.00 24.45 H new ATOM 0 HG13 VAL A 104 10.837 -80.408 -1.920 1.00 24.45 H new ATOM 0 HG21 VAL A 104 12.429 -79.939 -4.531 1.00 13.11 H new ATOM 0 HG22 VAL A 104 11.533 -81.443 -4.208 1.00 13.11 H new ATOM 0 HG23 VAL A 104 11.199 -80.507 -5.685 1.00 13.11 H new ATOM 1583 N SER A 105 9.149 -82.735 -4.349 1.00 70.15 N ATOM 1584 CA SER A 105 9.084 -84.138 -3.971 1.00 14.10 C ATOM 1585 C SER A 105 10.152 -84.935 -4.713 1.00 74.04 C ATOM 1586 O SER A 105 10.311 -84.794 -5.929 1.00 24.02 O ATOM 1587 CB SER A 105 7.689 -84.693 -4.285 1.00 4.52 C ATOM 1588 OG SER A 105 6.690 -83.997 -3.553 1.00 72.03 O ATOM 0 H SER A 105 9.257 -82.578 -5.351 1.00 70.15 H new ATOM 0 HA SER A 105 9.269 -84.228 -2.901 1.00 14.10 H new ATOM 0 HB2 SER A 105 7.490 -84.605 -5.353 1.00 4.52 H new ATOM 0 HB3 SER A 105 7.652 -85.754 -4.040 1.00 4.52 H new ATOM 0 HG SER A 105 5.809 -84.366 -3.770 1.00 72.03 H new ATOM 1594 N ILE A 106 10.894 -85.748 -3.970 1.00 60.24 N ATOM 1595 CA ILE A 106 11.954 -86.573 -4.539 1.00 10.30 C ATOM 1596 C ILE A 106 11.670 -88.045 -4.223 1.00 61.14 C ATOM 1597 O ILE A 106 11.076 -88.352 -3.186 1.00 52.41 O ATOM 1598 CB ILE A 106 13.347 -86.180 -3.971 1.00 72.12 C ATOM 1599 CG1 ILE A 106 13.512 -84.647 -3.904 1.00 61.14 C ATOM 1600 CG2 ILE A 106 14.453 -86.785 -4.829 1.00 61.45 C ATOM 1601 CD1 ILE A 106 13.490 -83.957 -5.256 1.00 61.02 C ATOM 0 H ILE A 106 10.779 -85.854 -2.962 1.00 60.24 H new ATOM 0 HA ILE A 106 11.972 -86.413 -5.617 1.00 10.30 H new ATOM 0 HB ILE A 106 13.420 -86.574 -2.957 1.00 72.12 H new ATOM 0 HG12 ILE A 106 12.715 -84.234 -3.285 1.00 61.14 H new ATOM 0 HG13 ILE A 106 14.454 -84.416 -3.406 1.00 61.14 H new ATOM 0 HG21 ILE A 106 15.424 -86.503 -4.422 1.00 61.45 H new ATOM 0 HG22 ILE A 106 14.361 -87.871 -4.829 1.00 61.45 H new ATOM 0 HG23 ILE A 106 14.366 -86.414 -5.850 1.00 61.45 H new ATOM 0 HD11 ILE A 106 13.612 -82.883 -5.118 1.00 61.02 H new ATOM 0 HD12 ILE A 106 14.304 -84.338 -5.872 1.00 61.02 H new ATOM 0 HD13 ILE A 106 12.538 -84.154 -5.749 1.00 61.02 H new ATOM 1613 N HIS A 107 12.088 -88.952 -5.105 1.00 62.33 N ATOM 1614 CA HIS A 107 11.797 -90.376 -4.928 1.00 42.21 C ATOM 1615 C HIS A 107 13.052 -91.232 -5.142 1.00 3.14 C ATOM 1616 O HIS A 107 13.942 -90.874 -5.912 1.00 44.31 O ATOM 1617 CB HIS A 107 10.671 -90.816 -5.878 1.00 1.15 C ATOM 1618 CG HIS A 107 10.027 -92.119 -5.494 1.00 52.33 C ATOM 1619 ND1 HIS A 107 10.332 -93.397 -5.824 1.00 63.51 N flip ATOM 1620 CD2 HIS A 107 8.926 -92.194 -4.671 1.00 51.43 C flip ATOM 1621 CE1 HIS A 107 9.420 -94.209 -5.195 1.00 61.40 C flip ATOM 1622 NE2 HIS A 107 8.585 -93.455 -4.507 1.00 21.31 N flip ATOM 0 H HIS A 107 12.625 -88.730 -5.943 1.00 62.33 H new ATOM 0 HA HIS A 107 11.464 -90.526 -3.901 1.00 42.21 H new ATOM 0 HB2 HIS A 107 9.908 -90.039 -5.906 1.00 1.15 H new ATOM 0 HB3 HIS A 107 11.073 -90.904 -6.887 1.00 1.15 H new ATOM 0 HD2 HIS A 107 8.420 -91.349 -4.228 1.00 51.43 H new ATOM 0 HE1 HIS A 107 9.391 -95.287 -5.254 1.00 61.40 H new ATOM 0 HE2 HIS A 107 7.805 -93.792 -3.942 1.00 21.31 H new ATOM 1631 N ALA A 108 13.069 -92.376 -4.469 1.00 62.21 N ATOM 1632 CA ALA A 108 14.212 -93.298 -4.395 1.00 71.54 C ATOM 1633 C ALA A 108 14.540 -94.017 -5.711 1.00 51.20 C ATOM 1634 O ALA A 108 15.392 -94.909 -5.717 1.00 13.21 O ATOM 1635 CB ALA A 108 13.982 -94.316 -3.286 1.00 1.01 C ATOM 0 H ALA A 108 12.262 -92.705 -3.939 1.00 62.21 H new ATOM 0 HA ALA A 108 15.081 -92.678 -4.177 1.00 71.54 H new ATOM 0 HB1 ALA A 108 14.832 -94.997 -3.235 1.00 1.01 H new ATOM 0 HB2 ALA A 108 13.875 -93.798 -2.333 1.00 1.01 H new ATOM 0 HB3 ALA A 108 13.075 -94.883 -3.495 1.00 1.01 H new ATOM 1641 N SER A 109 13.871 -93.667 -6.808 1.00 22.12 N ATOM 1642 CA SER A 109 13.894 -94.492 -8.018 1.00 13.31 C ATOM 1643 C SER A 109 15.322 -94.665 -8.556 1.00 70.35 C ATOM 1644 O SER A 109 16.063 -93.696 -8.724 1.00 20.01 O ATOM 1645 CB SER A 109 13.024 -93.833 -9.093 1.00 75.32 C ATOM 1646 OG SER A 109 11.696 -93.645 -8.624 1.00 74.32 O ATOM 0 H SER A 109 13.307 -92.820 -6.886 1.00 22.12 H new ATOM 0 HA SER A 109 13.506 -95.479 -7.765 1.00 13.31 H new ATOM 0 HB2 SER A 109 13.454 -92.872 -9.376 1.00 75.32 H new ATOM 0 HB3 SER A 109 13.013 -94.454 -9.989 1.00 75.32 H new ATOM 0 HG SER A 109 11.675 -93.751 -7.650 1.00 74.32 H new ATOM 1652 N SER A 110 15.675 -95.925 -8.822 1.00 53.15 N ATOM 1653 CA SER A 110 17.035 -96.320 -9.183 1.00 44.34 C ATOM 1654 C SER A 110 17.383 -95.924 -10.619 1.00 21.33 C ATOM 1655 O SER A 110 16.553 -95.362 -11.342 1.00 40.12 O ATOM 1656 CB SER A 110 17.213 -97.835 -8.986 1.00 20.12 C ATOM 1657 OG SER A 110 18.565 -98.228 -9.185 1.00 61.20 O ATOM 0 H SER A 110 15.018 -96.705 -8.792 1.00 53.15 H new ATOM 0 HA SER A 110 17.721 -95.787 -8.524 1.00 44.34 H new ATOM 0 HB2 SER A 110 16.896 -98.113 -7.981 1.00 20.12 H new ATOM 0 HB3 SER A 110 16.570 -98.372 -9.683 1.00 20.12 H new ATOM 0 HG SER A 110 18.648 -99.195 -9.051 1.00 61.20 H new ATOM 1663 N ARG A 111 18.624 -96.236 -11.007 1.00 10.21 N ATOM 1664 CA ARG A 111 19.218 -95.823 -12.283 1.00 70.34 C ATOM 1665 C ARG A 111 18.239 -95.962 -13.454 1.00 33.55 C ATOM 1666 O ARG A 111 17.736 -97.052 -13.738 1.00 43.23 O ATOM 1667 CB ARG A 111 20.481 -96.657 -12.557 1.00 25.13 C ATOM 1668 CG ARG A 111 21.312 -96.167 -13.742 1.00 15.51 C ATOM 1669 CD ARG A 111 22.497 -97.089 -14.016 1.00 32.52 C ATOM 1670 NE ARG A 111 23.421 -96.524 -15.004 1.00 21.10 N ATOM 1671 CZ ARG A 111 23.520 -96.937 -16.271 1.00 63.31 C ATOM 1672 NH1 ARG A 111 22.702 -97.871 -16.739 1.00 42.52 N ATOM 1673 NH2 ARG A 111 24.430 -96.404 -17.073 1.00 12.12 N ATOM 0 H ARG A 111 19.256 -96.793 -10.432 1.00 10.21 H new ATOM 0 HA ARG A 111 19.475 -94.767 -12.200 1.00 70.34 H new ATOM 0 HB2 ARG A 111 21.106 -96.653 -11.664 1.00 25.13 H new ATOM 0 HB3 ARG A 111 20.188 -97.691 -12.737 1.00 25.13 H new ATOM 0 HG2 ARG A 111 20.682 -96.109 -14.630 1.00 15.51 H new ATOM 0 HG3 ARG A 111 21.674 -95.158 -13.541 1.00 15.51 H new ATOM 0 HD2 ARG A 111 23.033 -97.276 -13.085 1.00 32.52 H new ATOM 0 HD3 ARG A 111 22.131 -98.052 -14.372 1.00 32.52 H new ATOM 0 HE ARG A 111 24.030 -95.763 -14.704 1.00 21.10 H new ATOM 0 HH11 ARG A 111 21.992 -98.278 -16.131 1.00 42.52 H new ATOM 0 HH12 ARG A 111 22.783 -98.181 -17.707 1.00 42.52 H new ATOM 0 HH21 ARG A 111 25.055 -95.678 -16.723 1.00 12.12 H new ATOM 0 HH22 ARG A 111 24.505 -96.720 -18.040 1.00 12.12 H new ATOM 1687 N VAL A 112 17.975 -94.841 -14.119 1.00 42.33 N ATOM 1688 CA VAL A 112 17.089 -94.802 -15.281 1.00 22.53 C ATOM 1689 C VAL A 112 17.889 -94.521 -16.551 1.00 21.24 C ATOM 1690 O VAL A 112 19.107 -94.329 -16.496 1.00 51.15 O ATOM 1691 CB VAL A 112 15.985 -93.722 -15.128 1.00 42.34 C ATOM 1692 CG1 VAL A 112 15.118 -94.000 -13.899 1.00 12.25 C ATOM 1693 CG2 VAL A 112 16.601 -92.324 -15.059 1.00 12.43 C ATOM 0 H VAL A 112 18.368 -93.934 -13.869 1.00 42.33 H new ATOM 0 HA VAL A 112 16.610 -95.778 -15.352 1.00 22.53 H new ATOM 0 HB VAL A 112 15.343 -93.765 -16.008 1.00 42.34 H new ATOM 0 HG11 VAL A 112 14.351 -93.230 -13.813 1.00 12.25 H new ATOM 0 HG12 VAL A 112 14.642 -94.975 -14.002 1.00 12.25 H new ATOM 0 HG13 VAL A 112 15.741 -93.993 -13.005 1.00 12.25 H new ATOM 0 HG21 VAL A 112 15.809 -91.582 -14.952 1.00 12.43 H new ATOM 0 HG22 VAL A 112 17.273 -92.264 -14.203 1.00 12.43 H new ATOM 0 HG23 VAL A 112 17.161 -92.128 -15.973 1.00 12.43 H new ATOM 1703 N ASP A 113 17.208 -94.540 -17.690 1.00 71.41 N ATOM 1704 CA ASP A 113 17.827 -94.179 -18.965 1.00 61.45 C ATOM 1705 C ASP A 113 17.610 -92.688 -19.235 1.00 54.52 C ATOM 1706 O ASP A 113 16.489 -92.185 -19.099 1.00 71.24 O ATOM 1707 CB ASP A 113 17.239 -95.019 -20.109 1.00 13.55 C ATOM 1708 CG ASP A 113 18.003 -94.847 -21.415 1.00 74.32 C ATOM 1709 OD1 ASP A 113 18.971 -95.601 -21.648 1.00 41.05 O ATOM 1710 OD2 ASP A 113 17.637 -93.972 -22.225 1.00 52.52 O ATOM 0 H ASP A 113 16.225 -94.802 -17.760 1.00 71.41 H new ATOM 0 HA ASP A 113 18.896 -94.383 -18.909 1.00 61.45 H new ATOM 0 HB2 ASP A 113 17.247 -96.071 -19.824 1.00 13.55 H new ATOM 0 HB3 ASP A 113 16.197 -94.738 -20.262 1.00 13.55 H new ATOM 1715 N ALA A 114 18.683 -91.987 -19.597 1.00 61.52 N ATOM 1716 CA ALA A 114 18.631 -90.541 -19.816 1.00 14.04 C ATOM 1717 C ALA A 114 17.884 -90.199 -21.107 1.00 42.21 C ATOM 1718 O ALA A 114 17.957 -90.936 -22.089 1.00 32.43 O ATOM 1719 CB ALA A 114 20.042 -89.965 -19.846 1.00 51.25 C ATOM 0 H ALA A 114 19.604 -92.399 -19.746 1.00 61.52 H new ATOM 0 HA ALA A 114 18.082 -90.092 -18.988 1.00 14.04 H new ATOM 0 HB1 ALA A 114 19.992 -88.888 -20.010 1.00 51.25 H new ATOM 0 HB2 ALA A 114 20.537 -90.165 -18.896 1.00 51.25 H new ATOM 0 HB3 ALA A 114 20.607 -90.429 -20.654 1.00 51.25 H new ATOM 1725 N ASP A 115 17.180 -89.069 -21.096 1.00 54.31 N ATOM 1726 CA ASP A 115 16.380 -88.633 -22.246 1.00 31.20 C ATOM 1727 C ASP A 115 16.654 -87.166 -22.574 1.00 74.33 C ATOM 1728 O ASP A 115 16.841 -86.806 -23.738 1.00 33.11 O ATOM 1729 CB ASP A 115 14.881 -88.839 -21.967 1.00 63.02 C ATOM 1730 CG ASP A 115 13.987 -88.288 -23.072 1.00 34.15 C ATOM 1731 OD1 ASP A 115 13.816 -88.979 -24.098 1.00 71.54 O ATOM 1732 OD2 ASP A 115 13.441 -87.171 -22.914 1.00 60.54 O ATOM 0 H ASP A 115 17.146 -88.433 -20.299 1.00 54.31 H new ATOM 0 HA ASP A 115 16.666 -89.239 -23.106 1.00 31.20 H new ATOM 0 HB2 ASP A 115 14.683 -89.904 -21.845 1.00 63.02 H new ATOM 0 HB3 ASP A 115 14.623 -88.356 -21.024 1.00 63.02 H new ATOM 1737 N GLY A 116 16.686 -86.327 -21.543 1.00 25.12 N ATOM 1738 CA GLY A 116 16.905 -84.903 -21.741 1.00 51.02 C ATOM 1739 C GLY A 116 16.131 -84.058 -20.747 1.00 52.42 C ATOM 1740 O GLY A 116 14.988 -84.376 -20.404 1.00 24.24 O ATOM 0 H GLY A 116 16.564 -86.608 -20.570 1.00 25.12 H new ATOM 0 HA2 GLY A 116 17.969 -84.685 -21.649 1.00 51.02 H new ATOM 0 HA3 GLY A 116 16.610 -84.630 -22.754 1.00 51.02 H new ATOM 1744 N PHE A 117 16.751 -82.986 -20.273 1.00 5.24 N ATOM 1745 CA PHE A 117 16.123 -82.088 -19.310 1.00 2.31 C ATOM 1746 C PHE A 117 15.438 -80.934 -20.037 1.00 32.41 C ATOM 1747 O PHE A 117 16.120 -80.104 -20.648 1.00 0.02 O ATOM 1748 CB PHE A 117 17.170 -81.513 -18.340 1.00 64.33 C ATOM 1749 CG PHE A 117 17.904 -82.542 -17.516 1.00 64.31 C ATOM 1750 CD1 PHE A 117 18.905 -83.322 -18.080 1.00 52.42 C ATOM 1751 CD2 PHE A 117 17.600 -82.722 -16.176 1.00 54.12 C ATOM 1752 CE1 PHE A 117 19.580 -84.258 -17.323 1.00 24.34 C ATOM 1753 CE2 PHE A 117 18.274 -83.654 -15.414 1.00 3.23 C ATOM 1754 CZ PHE A 117 19.264 -84.424 -15.988 1.00 43.44 C ATOM 0 H PHE A 117 17.697 -82.714 -20.542 1.00 5.24 H new ATOM 0 HA PHE A 117 15.386 -82.660 -18.747 1.00 2.31 H new ATOM 0 HB2 PHE A 117 17.899 -80.940 -18.913 1.00 64.33 H new ATOM 0 HB3 PHE A 117 16.675 -80.815 -17.666 1.00 64.33 H new ATOM 0 HD1 PHE A 117 19.158 -83.195 -19.122 1.00 52.42 H new ATOM 0 HD2 PHE A 117 16.824 -82.124 -15.721 1.00 54.12 H new ATOM 0 HE1 PHE A 117 20.355 -84.860 -17.774 1.00 24.34 H new ATOM 0 HE2 PHE A 117 18.027 -83.780 -14.370 1.00 3.23 H new ATOM 0 HZ PHE A 117 19.792 -85.156 -15.395 1.00 43.44 H new ATOM 1764 N GLU A 118 14.107 -80.882 -19.993 1.00 33.04 N ATOM 1765 CA GLU A 118 13.380 -79.735 -20.530 1.00 23.02 C ATOM 1766 C GLU A 118 11.960 -79.696 -19.981 1.00 63.02 C ATOM 1767 O GLU A 118 11.288 -80.720 -19.906 1.00 13.12 O ATOM 1768 CB GLU A 118 13.341 -79.769 -22.069 1.00 70.42 C ATOM 1769 CG GLU A 118 12.537 -80.928 -22.654 1.00 51.04 C ATOM 1770 CD GLU A 118 12.259 -80.756 -24.141 1.00 53.34 C ATOM 1771 OE1 GLU A 118 11.422 -79.891 -24.493 1.00 62.15 O ATOM 1772 OE2 GLU A 118 12.863 -81.482 -24.957 1.00 71.34 O ATOM 0 H GLU A 118 13.517 -81.613 -19.595 1.00 33.04 H new ATOM 0 HA GLU A 118 13.909 -78.835 -20.218 1.00 23.02 H new ATOM 0 HB2 GLU A 118 12.919 -78.831 -22.430 1.00 70.42 H new ATOM 0 HB3 GLU A 118 14.363 -79.825 -22.445 1.00 70.42 H new ATOM 0 HG2 GLU A 118 13.081 -81.859 -22.495 1.00 51.04 H new ATOM 0 HG3 GLU A 118 11.591 -81.016 -22.119 1.00 51.04 H new ATOM 1779 N ILE A 119 11.499 -78.521 -19.583 1.00 14.51 N ATOM 1780 CA ILE A 119 10.120 -78.375 -19.152 1.00 51.30 C ATOM 1781 C ILE A 119 9.217 -78.534 -20.373 1.00 62.21 C ATOM 1782 O ILE A 119 8.892 -77.569 -21.075 1.00 44.42 O ATOM 1783 CB ILE A 119 9.878 -77.021 -18.420 1.00 2.53 C ATOM 1784 CG1 ILE A 119 10.533 -77.036 -17.022 1.00 24.02 C ATOM 1785 CG2 ILE A 119 8.383 -76.719 -18.288 1.00 53.12 C ATOM 1786 CD1 ILE A 119 12.028 -77.298 -17.014 1.00 71.13 C ATOM 0 H ILE A 119 12.052 -77.665 -19.550 1.00 14.51 H new ATOM 0 HA ILE A 119 9.884 -79.149 -18.422 1.00 51.30 H new ATOM 0 HB ILE A 119 10.336 -76.236 -19.022 1.00 2.53 H new ATOM 0 HG12 ILE A 119 10.345 -76.077 -16.540 1.00 24.02 H new ATOM 0 HG13 ILE A 119 10.043 -77.798 -16.416 1.00 24.02 H new ATOM 0 HG21 ILE A 119 8.248 -75.768 -17.773 1.00 53.12 H new ATOM 0 HG22 ILE A 119 7.934 -76.662 -19.280 1.00 53.12 H new ATOM 0 HG23 ILE A 119 7.901 -77.512 -17.717 1.00 53.12 H new ATOM 0 HD11 ILE A 119 12.394 -77.289 -15.987 1.00 71.13 H new ATOM 0 HD12 ILE A 119 12.229 -78.271 -17.462 1.00 71.13 H new ATOM 0 HD13 ILE A 119 12.536 -76.523 -17.587 1.00 71.13 H new ATOM 1798 N ARG A 120 8.892 -79.788 -20.657 1.00 2.03 N ATOM 1799 CA ARG A 120 8.141 -80.157 -21.843 1.00 61.44 C ATOM 1800 C ARG A 120 6.646 -79.965 -21.604 1.00 32.31 C ATOM 1801 O ARG A 120 6.047 -80.668 -20.790 1.00 1.25 O ATOM 1802 CB ARG A 120 8.445 -81.622 -22.204 1.00 4.12 C ATOM 1803 CG ARG A 120 8.363 -81.918 -23.691 1.00 2.23 C ATOM 1804 CD ARG A 120 8.786 -83.348 -24.008 1.00 30.01 C ATOM 1805 NE ARG A 120 8.892 -83.573 -25.450 1.00 3.51 N ATOM 1806 CZ ARG A 120 10.022 -83.909 -26.078 1.00 12.41 C ATOM 1807 NH1 ARG A 120 11.139 -84.113 -25.389 1.00 3.32 N ATOM 1808 NH2 ARG A 120 10.032 -84.044 -27.395 1.00 2.32 N ATOM 0 H ARG A 120 9.145 -80.580 -20.066 1.00 2.03 H new ATOM 0 HA ARG A 120 8.438 -79.515 -22.673 1.00 61.44 H new ATOM 0 HB2 ARG A 120 9.444 -81.874 -21.848 1.00 4.12 H new ATOM 0 HB3 ARG A 120 7.745 -82.269 -21.675 1.00 4.12 H new ATOM 0 HG2 ARG A 120 7.343 -81.755 -24.038 1.00 2.23 H new ATOM 0 HG3 ARG A 120 9.000 -81.221 -24.236 1.00 2.23 H new ATOM 0 HD2 ARG A 120 9.746 -83.557 -23.535 1.00 30.01 H new ATOM 0 HD3 ARG A 120 8.063 -84.044 -23.583 1.00 30.01 H new ATOM 0 HE ARG A 120 8.048 -83.466 -26.012 1.00 3.51 H new ATOM 0 HH11 ARG A 120 11.137 -84.013 -24.374 1.00 3.32 H new ATOM 0 HH12 ARG A 120 11.998 -84.369 -25.875 1.00 3.32 H new ATOM 0 HH21 ARG A 120 9.177 -83.891 -27.930 1.00 2.32 H new ATOM 0 HH22 ARG A 120 10.895 -84.301 -27.875 1.00 2.32 H new ATOM 1822 N ARG A 121 6.059 -79.001 -22.302 1.00 14.01 N ATOM 1823 CA ARG A 121 4.630 -78.723 -22.195 1.00 75.33 C ATOM 1824 C ARG A 121 3.917 -79.217 -23.453 1.00 64.21 C ATOM 1825 O ARG A 121 3.905 -78.478 -24.459 1.00 51.44 O ATOM 1826 CB ARG A 121 4.378 -77.219 -21.991 1.00 72.42 C ATOM 1827 CG ARG A 121 4.973 -76.658 -20.704 1.00 14.51 C ATOM 1828 CD ARG A 121 4.575 -75.201 -20.493 1.00 12.45 C ATOM 1829 NE ARG A 121 3.118 -75.039 -20.439 1.00 4.53 N ATOM 1830 CZ ARG A 121 2.486 -73.863 -20.456 1.00 42.14 C ATOM 1831 NH1 ARG A 121 3.169 -72.727 -20.538 1.00 1.44 N ATOM 1832 NH2 ARG A 121 1.160 -73.828 -20.406 1.00 65.01 N ATOM 1833 OXT ARG A 121 3.406 -80.357 -23.441 1.00 0.00 O ATOM 0 H ARG A 121 6.555 -78.393 -22.954 1.00 14.01 H new ATOM 0 HA ARG A 121 4.234 -79.250 -21.327 1.00 75.33 H new ATOM 0 HB2 ARG A 121 4.793 -76.674 -22.839 1.00 72.42 H new ATOM 0 HB3 ARG A 121 3.303 -77.038 -21.991 1.00 72.42 H new ATOM 0 HG2 ARG A 121 4.637 -77.255 -19.856 1.00 14.51 H new ATOM 0 HG3 ARG A 121 6.059 -76.738 -20.739 1.00 14.51 H new ATOM 0 HD2 ARG A 121 5.017 -74.834 -19.567 1.00 12.45 H new ATOM 0 HD3 ARG A 121 4.979 -74.593 -21.302 1.00 12.45 H new ATOM 0 HE ARG A 121 2.548 -75.883 -20.385 1.00 4.53 H new ATOM 0 HH11 ARG A 121 4.188 -72.747 -20.589 1.00 1.44 H new ATOM 0 HH12 ARG A 121 2.675 -71.835 -20.550 1.00 1.44 H new ATOM 0 HH21 ARG A 121 0.628 -74.697 -20.355 1.00 65.01 H new ATOM 0 HH22 ARG A 121 0.673 -72.932 -20.419 1.00 65.01 H new TER 1847 ARG A 121