USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1149 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 131 LYS NZ :NH3+ -173:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 133 GLN : amide:sc= 0.892 K(o=2.1,f=-9.1!) USER MOD Set 2.1: A 116 ASN : amide:sc= 0.776 K(o=1.8,f=0.2) USER MOD Set 2.2: A 117 GLN : amide:sc= 1.01 K(o=1.8,f=0.2) USER MOD Set 3.1: A 86 LYS NZ :NH3+ 150:sc= 2.15 (180deg=0) USER MOD Set 3.2: A 87 SER OG : rot -127:sc= 2.05 USER MOD Set 3.3: A 145 ASN : amide:sc= 0.842 K(o=5,f=-5.6!) USER MOD Set 4.1: A 40 THR OG1 : rot -58:sc= 2.23 USER MOD Set 4.2: A 41 SER OG : rot -165:sc= 0.537 USER MOD Set 4.3: A 76 LYS NZ :NH3+ 167:sc= 1.13 (180deg=-0.239) USER MOD Set 5.1: A 20 HIS : no HE2:sc= 1.13 K(o=2.5,f=-17!) USER MOD Set 5.2: A 27 LYS NZ :NH3+ 165:sc= 0.165 (180deg=-1.85) USER MOD Set 5.3: A 29 GLN : amide:sc= 1.16 K(o=2.5,f=-1) USER MOD Single : A 1 MET CE :methyl -168:sc=-0.000323 (180deg=-0.155) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.24 (180deg=1.04) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.187 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 46:sc= 0.606 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.241 K(o=-0.24,f=-4.5!) USER MOD Single : A 12 THR OG1 : rot 101:sc= 1.27 USER MOD Single : A 14 GLN : amide:sc= 0.716 K(o=0.72,f=-0.072) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.208 F(o=-0.71,f=-0.21) USER MOD Single : A 18 SER OG : rot 83:sc= 0.891 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= 1.97 (180deg=0.154) USER MOD Single : A 24 MET CE :methyl -165:sc=-0.00263 (180deg=-0.263) USER MOD Single : A 39 HIS : no HE2:sc= -0.352 K(o=-0.35,f=-2.1) USER MOD Single : A 44 LYS NZ :NH3+ 135:sc= 2.1 (180deg=-0.515) USER MOD Single : A 52 THR OG1 : rot -54:sc= 0.899 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -18:sc= 0.354 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -128:sc= 1.03 (180deg=0.0637) USER MOD Single : A 68 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.52 F(o=-2.2,f=-0.52) USER MOD Single : A 79 ASN : amide:sc= -1.54 K(o=-1.5,f=-4.1!) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= 1.9 (180deg=1.13) USER MOD Single : A 84 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : A 91 ASN : amide:sc= 1.9 K(o=1.9,f=-13!) USER MOD Single : A 100 LYS NZ :NH3+ -153:sc= 1.06 (180deg=-0.69) USER MOD Single : A 104 LYS NZ :NH3+ 162:sc= 0.212 (180deg=-0.144) USER MOD Single : A 106 HIS : no HD1:sc= -0.0092 X(o=-0.0092,f=-0.16) USER MOD Single : A 110 SER OG : rot -59:sc= 0.179 USER MOD Single : A 112 SER OG : rot 180:sc= 0.00275 USER MOD Single : A 115 TYR OH : rot 165:sc= -0.248 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot -157:sc= -0.93! USER MOD Single : A 124 SER OG : rot 46:sc= 1.22 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ -167:sc= 3.28 (180deg=2.79) USER MOD Single : A 143 THR OG1 : rot -168:sc= 0.287 USER MOD Single : A 149 HIS : no HD1:sc=-0.00918 X(o=-0.0092,f=-0.077) USER MOD Single : A 155 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.12) USER MOD Single : A 156 GLN : amide:sc= -1.64 K(o=-1.6,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -33.774 -20.858 -0.919 1.00 48.84 N ATOM 2 CA MET A 1 -34.341 -20.627 0.427 1.00 49.63 C ATOM 3 C MET A 1 -34.582 -19.133 0.691 1.00 49.37 C ATOM 4 O MET A 1 -34.242 -18.620 1.751 1.00 49.69 O ATOM 5 CB MET A 1 -33.474 -21.285 1.514 1.00 50.06 C ATOM 6 CG MET A 1 -32.017 -20.788 1.546 1.00 50.03 C ATOM 7 SD MET A 1 -31.042 -21.326 2.976 1.00 50.93 S ATOM 8 CE MET A 1 -31.832 -20.391 4.308 1.00 52.78 C ATOM 0 H1 MET A 1 -33.546 -21.866 -1.031 1.00 48.84 H new ATOM 0 H2 MET A 1 -34.468 -20.578 -1.641 1.00 48.84 H new ATOM 0 H3 MET A 1 -32.909 -20.292 -1.033 1.00 48.84 H new ATOM 0 HA MET A 1 -35.318 -21.108 0.466 1.00 49.63 H new ATOM 0 HB2 MET A 1 -33.930 -21.102 2.487 1.00 50.06 H new ATOM 0 HB3 MET A 1 -33.475 -22.364 1.360 1.00 50.06 H new ATOM 0 HG2 MET A 1 -31.516 -21.126 0.639 1.00 50.03 H new ATOM 0 HG3 MET A 1 -32.022 -19.698 1.521 1.00 50.03 H new ATOM 0 HE1 MET A 1 -31.217 -20.448 5.206 1.00 52.78 H new ATOM 0 HE2 MET A 1 -31.939 -19.349 4.007 1.00 52.78 H new ATOM 0 HE3 MET A 1 -32.816 -20.812 4.514 1.00 52.78 H new ATOM 20 N GLN A 2 -35.151 -18.439 -0.295 1.00 48.87 N ATOM 21 CA GLN A 2 -35.451 -17.009 -0.272 1.00 48.58 C ATOM 22 C GLN A 2 -36.251 -16.726 -1.543 1.00 47.67 C ATOM 23 O GLN A 2 -37.375 -16.241 -1.492 1.00 48.53 O ATOM 24 CB GLN A 2 -34.176 -16.154 -0.141 1.00 48.48 C ATOM 25 CG GLN A 2 -33.076 -16.455 -1.172 1.00 47.36 C ATOM 26 CD GLN A 2 -31.712 -15.969 -0.693 1.00 47.35 C ATOM 27 OE1 GLN A 2 -30.806 -16.770 -0.493 1.00 47.00 O ATOM 28 NE2 GLN A 2 -31.554 -14.662 -0.503 1.00 47.85 N ATOM 0 H GLN A 2 -35.428 -18.880 -1.172 1.00 48.87 H new ATOM 0 HA GLN A 2 -36.037 -16.735 0.605 1.00 48.58 H new ATOM 0 HB2 GLN A 2 -34.453 -15.103 -0.225 1.00 48.48 H new ATOM 0 HB3 GLN A 2 -33.764 -16.296 0.858 1.00 48.48 H new ATOM 0 HG2 GLN A 2 -33.036 -17.528 -1.360 1.00 47.36 H new ATOM 0 HG3 GLN A 2 -33.322 -15.975 -2.119 1.00 47.36 H new ATOM 0 HE21 GLN A 2 -32.330 -14.024 -0.679 1.00 47.85 H new ATOM 0 HE22 GLN A 2 -30.657 -14.298 -0.181 1.00 47.85 H new ATOM 37 N SER A 3 -35.697 -17.184 -2.667 1.00 46.00 N ATOM 38 CA SER A 3 -36.474 -17.803 -3.725 1.00 45.01 C ATOM 39 C SER A 3 -36.098 -19.291 -3.730 1.00 43.36 C ATOM 40 O SER A 3 -35.428 -19.773 -2.802 1.00 43.22 O ATOM 41 CB SER A 3 -36.183 -17.110 -5.063 1.00 44.71 C ATOM 42 OG SER A 3 -37.028 -17.630 -6.073 1.00 45.01 O ATOM 0 H SER A 3 -34.697 -17.133 -2.863 1.00 46.00 H new ATOM 0 HA SER A 3 -37.547 -17.702 -3.563 1.00 45.01 H new ATOM 0 HB2 SER A 3 -36.337 -16.035 -4.966 1.00 44.71 H new ATOM 0 HB3 SER A 3 -35.139 -17.258 -5.339 1.00 44.71 H new ATOM 0 HG SER A 3 -36.837 -17.181 -6.923 1.00 45.01 H new ATOM 48 N HIS A 4 -36.505 -19.990 -4.788 1.00 42.23 N ATOM 49 CA HIS A 4 -36.102 -21.343 -5.135 1.00 40.53 C ATOM 50 C HIS A 4 -35.293 -21.253 -6.428 1.00 38.79 C ATOM 51 O HIS A 4 -35.657 -20.500 -7.329 1.00 39.24 O ATOM 52 CB HIS A 4 -37.349 -22.216 -5.323 1.00 41.11 C ATOM 53 CG HIS A 4 -37.036 -23.566 -5.917 1.00 40.62 C ATOM 54 ND1 HIS A 4 -37.248 -23.937 -7.226 1.00 40.81 N ATOM 55 CD2 HIS A 4 -36.349 -24.580 -5.305 1.00 39.92 C ATOM 56 CE1 HIS A 4 -36.709 -25.157 -7.392 1.00 40.25 C ATOM 57 NE2 HIS A 4 -36.141 -25.585 -6.253 1.00 39.69 N ATOM 0 H HIS A 4 -37.163 -19.600 -5.463 1.00 42.23 H new ATOM 0 HA HIS A 4 -35.498 -21.796 -4.349 1.00 40.53 H new ATOM 0 HB2 HIS A 4 -37.839 -22.354 -4.359 1.00 41.11 H new ATOM 0 HB3 HIS A 4 -38.057 -21.696 -5.969 1.00 41.11 H new ATOM 0 HD2 HIS A 4 -36.026 -24.599 -4.275 1.00 39.92 H new ATOM 0 HE1 HIS A 4 -36.730 -25.717 -8.315 1.00 40.25 H new ATOM 0 HE2 HIS A 4 -35.654 -26.469 -6.108 1.00 39.69 H new ATOM 65 N SER A 5 -34.189 -21.997 -6.513 1.00 36.90 N ATOM 66 CA SER A 5 -33.235 -21.876 -7.604 1.00 35.12 C ATOM 67 C SER A 5 -32.241 -23.029 -7.499 1.00 33.43 C ATOM 68 O SER A 5 -31.373 -22.995 -6.627 1.00 33.28 O ATOM 69 CB SER A 5 -32.511 -20.526 -7.484 1.00 34.92 C ATOM 70 OG SER A 5 -32.027 -20.362 -6.162 1.00 35.02 O ATOM 0 H SER A 5 -33.935 -22.702 -5.821 1.00 36.90 H new ATOM 0 HA SER A 5 -33.738 -21.919 -8.570 1.00 35.12 H new ATOM 0 HB2 SER A 5 -31.684 -20.481 -8.193 1.00 34.92 H new ATOM 0 HB3 SER A 5 -33.192 -19.713 -7.736 1.00 34.92 H new ATOM 0 HG SER A 5 -31.591 -21.189 -5.868 1.00 35.02 H new ATOM 76 N ALA A 6 -32.352 -24.042 -8.361 1.00 32.29 N ATOM 77 CA ALA A 6 -31.462 -25.197 -8.339 1.00 30.69 C ATOM 78 C ALA A 6 -30.112 -24.864 -8.987 1.00 28.94 C ATOM 79 O ALA A 6 -29.712 -25.506 -9.955 1.00 28.67 O ATOM 80 CB ALA A 6 -32.158 -26.376 -9.029 1.00 30.81 C ATOM 0 H ALA A 6 -33.062 -24.082 -9.092 1.00 32.29 H new ATOM 0 HA ALA A 6 -31.248 -25.476 -7.307 1.00 30.69 H new ATOM 0 HB1 ALA A 6 -31.500 -27.245 -9.017 1.00 30.81 H new ATOM 0 HB2 ALA A 6 -33.081 -26.613 -8.501 1.00 30.81 H new ATOM 0 HB3 ALA A 6 -32.389 -26.109 -10.060 1.00 30.81 H new ATOM 86 N LEU A 7 -29.407 -23.857 -8.460 1.00 27.87 N ATOM 87 CA LEU A 7 -28.047 -23.551 -8.890 1.00 26.13 C ATOM 88 C LEU A 7 -27.053 -24.532 -8.268 1.00 24.63 C ATOM 89 O LEU A 7 -27.415 -25.327 -7.402 1.00 25.05 O ATOM 90 CB LEU A 7 -27.697 -22.071 -8.669 1.00 26.18 C ATOM 91 CG LEU A 7 -27.375 -21.557 -7.255 1.00 26.26 C ATOM 92 CD1 LEU A 7 -28.494 -21.789 -6.239 1.00 26.77 C ATOM 93 CD2 LEU A 7 -26.033 -22.028 -6.681 1.00 26.03 C ATOM 0 H LEU A 7 -29.763 -23.239 -7.731 1.00 27.87 H new ATOM 0 HA LEU A 7 -27.978 -23.693 -9.968 1.00 26.13 H new ATOM 0 HB2 LEU A 7 -26.837 -21.844 -9.299 1.00 26.18 H new ATOM 0 HB3 LEU A 7 -28.533 -21.481 -9.045 1.00 26.18 H new ATOM 0 HG LEU A 7 -27.285 -20.483 -7.417 1.00 26.26 H new ATOM 0 HD11 LEU A 7 -28.190 -21.399 -5.268 1.00 26.77 H new ATOM 0 HD12 LEU A 7 -29.397 -21.276 -6.569 1.00 26.77 H new ATOM 0 HD13 LEU A 7 -28.693 -22.857 -6.155 1.00 26.77 H new ATOM 0 HD21 LEU A 7 -25.899 -21.613 -5.682 1.00 26.03 H new ATOM 0 HD22 LEU A 7 -26.023 -23.117 -6.626 1.00 26.03 H new ATOM 0 HD23 LEU A 7 -25.222 -21.690 -7.327 1.00 26.03 H new ATOM 105 N THR A 8 -25.789 -24.465 -8.689 1.00 23.02 N ATOM 106 CA THR A 8 -24.692 -25.180 -8.056 1.00 21.55 C ATOM 107 C THR A 8 -23.435 -24.322 -8.195 1.00 19.99 C ATOM 108 O THR A 8 -23.346 -23.521 -9.125 1.00 20.00 O ATOM 109 CB THR A 8 -24.552 -26.590 -8.650 1.00 21.38 C ATOM 110 OG1 THR A 8 -23.517 -27.282 -7.984 1.00 20.31 O ATOM 111 CG2 THR A 8 -24.274 -26.583 -10.157 1.00 21.24 C ATOM 0 H THR A 8 -25.500 -23.904 -9.490 1.00 23.02 H new ATOM 0 HA THR A 8 -24.878 -25.337 -6.994 1.00 21.55 H new ATOM 0 HB THR A 8 -25.508 -27.092 -8.505 1.00 21.38 H new ATOM 0 HG1 THR A 8 -23.429 -28.182 -8.362 1.00 20.31 H new ATOM 0 HG21 THR A 8 -24.186 -27.609 -10.515 1.00 21.24 H new ATOM 0 HG22 THR A 8 -25.094 -26.087 -10.676 1.00 21.24 H new ATOM 0 HG23 THR A 8 -23.344 -26.049 -10.353 1.00 21.24 H new ATOM 119 N ALA A 9 -22.510 -24.457 -7.244 1.00 18.84 N ATOM 120 CA ALA A 9 -21.271 -23.707 -7.114 1.00 17.36 C ATOM 121 C ALA A 9 -20.525 -24.318 -5.928 1.00 16.48 C ATOM 122 O ALA A 9 -21.107 -25.127 -5.204 1.00 17.24 O ATOM 123 CB ALA A 9 -21.562 -22.222 -6.854 1.00 17.52 C ATOM 0 H ALA A 9 -22.619 -25.141 -6.496 1.00 18.84 H new ATOM 0 HA ALA A 9 -20.680 -23.762 -8.028 1.00 17.36 H new ATOM 0 HB1 ALA A 9 -20.622 -21.678 -6.760 1.00 17.52 H new ATOM 0 HB2 ALA A 9 -22.136 -21.813 -7.685 1.00 17.52 H new ATOM 0 HB3 ALA A 9 -22.135 -22.119 -5.932 1.00 17.52 H new ATOM 129 N PHE A 10 -19.259 -23.950 -5.718 1.00 15.09 N ATOM 130 CA PHE A 10 -18.501 -24.409 -4.554 1.00 14.39 C ATOM 131 C PHE A 10 -17.352 -23.445 -4.236 1.00 13.19 C ATOM 132 O PHE A 10 -16.273 -23.872 -3.832 1.00 13.16 O ATOM 133 CB PHE A 10 -18.014 -25.851 -4.788 1.00 14.41 C ATOM 134 CG PHE A 10 -17.973 -26.697 -3.532 1.00 15.13 C ATOM 135 CD1 PHE A 10 -19.153 -27.309 -3.069 1.00 16.12 C ATOM 136 CD2 PHE A 10 -16.773 -26.861 -2.814 1.00 15.14 C ATOM 137 CE1 PHE A 10 -19.128 -28.104 -1.910 1.00 17.06 C ATOM 138 CE2 PHE A 10 -16.750 -27.651 -1.652 1.00 16.14 C ATOM 139 CZ PHE A 10 -17.926 -28.279 -1.204 1.00 17.08 C ATOM 0 H PHE A 10 -18.737 -23.334 -6.341 1.00 15.09 H new ATOM 0 HA PHE A 10 -19.149 -24.416 -3.678 1.00 14.39 H new ATOM 0 HB2 PHE A 10 -18.668 -26.331 -5.516 1.00 14.41 H new ATOM 0 HB3 PHE A 10 -17.016 -25.820 -5.226 1.00 14.41 H new ATOM 0 HD1 PHE A 10 -20.080 -27.167 -3.605 1.00 16.12 H new ATOM 0 HD2 PHE A 10 -15.869 -26.379 -3.157 1.00 15.14 H new ATOM 0 HE1 PHE A 10 -20.033 -28.580 -1.562 1.00 17.06 H new ATOM 0 HE2 PHE A 10 -15.829 -27.776 -1.103 1.00 16.14 H new ATOM 0 HZ PHE A 10 -17.905 -28.896 -0.318 1.00 17.08 H new ATOM 149 N GLN A 11 -17.580 -22.146 -4.458 1.00 12.45 N ATOM 150 CA GLN A 11 -16.626 -21.055 -4.312 1.00 11.36 C ATOM 151 C GLN A 11 -17.373 -19.755 -4.637 1.00 10.65 C ATOM 152 O GLN A 11 -18.606 -19.790 -4.650 1.00 11.37 O ATOM 153 CB GLN A 11 -15.382 -21.261 -5.188 1.00 10.85 C ATOM 154 CG GLN A 11 -15.661 -21.262 -6.702 1.00 11.08 C ATOM 155 CD GLN A 11 -16.434 -22.491 -7.169 1.00 11.76 C ATOM 156 OE1 GLN A 11 -17.620 -22.419 -7.484 1.00 12.24 O ATOM 157 NE2 GLN A 11 -15.784 -23.651 -7.195 1.00 12.29 N ATOM 0 H GLN A 11 -18.495 -21.814 -4.763 1.00 12.45 H new ATOM 0 HA GLN A 11 -16.243 -21.014 -3.292 1.00 11.36 H new ATOM 0 HB2 GLN A 11 -14.661 -20.474 -4.965 1.00 10.85 H new ATOM 0 HB3 GLN A 11 -14.915 -22.208 -4.917 1.00 10.85 H new ATOM 0 HG2 GLN A 11 -16.224 -20.366 -6.962 1.00 11.08 H new ATOM 0 HG3 GLN A 11 -14.714 -21.210 -7.240 1.00 11.08 H new ATOM 0 HE21 GLN A 11 -14.800 -23.690 -6.930 1.00 12.29 H new ATOM 0 HE22 GLN A 11 -16.270 -24.501 -7.480 1.00 12.29 H new ATOM 166 N THR A 12 -16.678 -18.644 -4.917 1.00 9.58 N ATOM 167 CA THR A 12 -17.345 -17.340 -4.928 1.00 9.27 C ATOM 168 C THR A 12 -16.781 -16.256 -5.850 1.00 8.08 C ATOM 169 O THR A 12 -17.164 -15.090 -5.780 1.00 9.01 O ATOM 170 CB THR A 12 -17.467 -16.819 -3.490 1.00 10.52 C ATOM 171 OG1 THR A 12 -16.918 -17.692 -2.518 1.00 10.51 O ATOM 172 CG2 THR A 12 -18.916 -16.495 -3.126 1.00 11.97 C ATOM 0 H THR A 12 -15.681 -18.622 -5.133 1.00 9.58 H new ATOM 0 HA THR A 12 -18.317 -17.546 -5.375 1.00 9.27 H new ATOM 0 HB THR A 12 -16.875 -15.904 -3.474 1.00 10.52 H new ATOM 0 HG1 THR A 12 -16.033 -17.367 -2.249 1.00 10.51 H new ATOM 0 HG21 THR A 12 -18.960 -16.129 -2.100 1.00 11.97 H new ATOM 0 HG22 THR A 12 -19.298 -15.729 -3.801 1.00 11.97 H new ATOM 0 HG23 THR A 12 -19.524 -17.395 -3.217 1.00 11.97 H new ATOM 180 N GLU A 13 -15.912 -16.672 -6.747 1.00 6.44 N ATOM 181 CA GLU A 13 -15.232 -15.864 -7.735 1.00 5.51 C ATOM 182 C GLU A 13 -16.180 -15.652 -8.913 1.00 6.46 C ATOM 183 O GLU A 13 -16.715 -14.569 -9.113 1.00 6.95 O ATOM 184 CB GLU A 13 -13.930 -16.551 -8.169 1.00 4.14 C ATOM 185 CG GLU A 13 -12.948 -16.755 -7.004 1.00 3.31 C ATOM 186 CD GLU A 13 -13.125 -18.091 -6.283 1.00 4.30 C ATOM 187 OE1 GLU A 13 -12.096 -18.642 -5.845 1.00 4.87 O ATOM 188 OE2 GLU A 13 -14.272 -18.589 -6.249 1.00 5.41 O ATOM 0 H GLU A 13 -15.644 -17.654 -6.808 1.00 6.44 H new ATOM 0 HA GLU A 13 -14.960 -14.893 -7.320 1.00 5.51 H new ATOM 0 HB2 GLU A 13 -14.165 -17.518 -8.614 1.00 4.14 H new ATOM 0 HB3 GLU A 13 -13.449 -15.953 -8.943 1.00 4.14 H new ATOM 0 HG2 GLU A 13 -11.928 -16.688 -7.383 1.00 3.31 H new ATOM 0 HG3 GLU A 13 -13.075 -15.944 -6.286 1.00 3.31 H new ATOM 195 N GLN A 14 -16.365 -16.710 -9.702 1.00 7.10 N ATOM 196 CA GLN A 14 -17.093 -16.751 -10.955 1.00 8.38 C ATOM 197 C GLN A 14 -17.018 -18.213 -11.401 1.00 8.58 C ATOM 198 O GLN A 14 -16.155 -18.947 -10.915 1.00 8.20 O ATOM 199 CB GLN A 14 -16.423 -15.806 -11.973 1.00 9.26 C ATOM 200 CG GLN A 14 -17.080 -15.776 -13.358 1.00 10.50 C ATOM 201 CD GLN A 14 -18.562 -15.415 -13.303 1.00 11.79 C ATOM 202 OE1 GLN A 14 -18.942 -14.415 -12.706 1.00 12.46 O ATOM 203 NE2 GLN A 14 -19.418 -16.232 -13.910 1.00 12.56 N ATOM 0 H GLN A 14 -15.980 -17.622 -9.458 1.00 7.10 H new ATOM 0 HA GLN A 14 -18.128 -16.421 -10.863 1.00 8.38 H new ATOM 0 HB2 GLN A 14 -16.425 -14.796 -11.564 1.00 9.26 H new ATOM 0 HB3 GLN A 14 -15.380 -16.101 -12.088 1.00 9.26 H new ATOM 0 HG2 GLN A 14 -16.558 -15.055 -13.987 1.00 10.50 H new ATOM 0 HG3 GLN A 14 -16.966 -16.752 -13.830 1.00 10.50 H new ATOM 0 HE21 GLN A 14 -19.074 -17.058 -14.400 1.00 12.56 H new ATOM 0 HE22 GLN A 14 -20.418 -16.033 -13.885 1.00 12.56 H new ATOM 212 N ILE A 15 -17.901 -18.628 -12.311 1.00 9.53 N ATOM 213 CA ILE A 15 -17.875 -19.939 -12.946 1.00 10.20 C ATOM 214 C ILE A 15 -17.989 -19.727 -14.458 1.00 10.77 C ATOM 215 O ILE A 15 -18.537 -18.710 -14.885 1.00 11.09 O ATOM 216 CB ILE A 15 -19.006 -20.822 -12.369 1.00 11.05 C ATOM 217 CG1 ILE A 15 -18.825 -20.970 -10.843 1.00 11.13 C ATOM 218 CG2 ILE A 15 -19.040 -22.206 -13.035 1.00 12.12 C ATOM 219 CD1 ILE A 15 -19.903 -21.823 -10.167 1.00 12.46 C ATOM 0 H ILE A 15 -18.673 -18.043 -12.632 1.00 9.53 H new ATOM 0 HA ILE A 15 -16.943 -20.468 -12.744 1.00 10.20 H new ATOM 0 HB ILE A 15 -19.957 -20.332 -12.578 1.00 11.05 H new ATOM 0 HG12 ILE A 15 -17.849 -21.413 -10.645 1.00 11.13 H new ATOM 0 HG13 ILE A 15 -18.824 -19.979 -10.390 1.00 11.13 H new ATOM 0 HG21 ILE A 15 -19.847 -22.798 -12.604 1.00 12.12 H new ATOM 0 HG22 ILE A 15 -19.207 -22.090 -14.106 1.00 12.12 H new ATOM 0 HG23 ILE A 15 -18.090 -22.713 -12.869 1.00 12.12 H new ATOM 0 HD11 ILE A 15 -19.705 -21.878 -9.097 1.00 12.46 H new ATOM 0 HD12 ILE A 15 -20.881 -21.371 -10.332 1.00 12.46 H new ATOM 0 HD13 ILE A 15 -19.891 -22.827 -10.591 1.00 12.46 H new ATOM 231 N GLN A 16 -17.458 -20.663 -15.248 1.00 11.33 N ATOM 232 CA GLN A 16 -17.635 -20.780 -16.691 1.00 12.28 C ATOM 233 C GLN A 16 -16.603 -19.914 -17.418 1.00 12.20 C ATOM 234 O GLN A 16 -16.886 -18.764 -17.763 1.00 12.60 O ATOM 235 CB GLN A 16 -19.090 -20.488 -17.119 1.00 13.70 C ATOM 236 CG GLN A 16 -19.570 -21.282 -18.345 1.00 14.76 C ATOM 237 CD GLN A 16 -18.852 -21.014 -19.671 1.00 15.70 C ATOM 238 OE1 GLN A 16 -18.289 -19.828 -19.873 1.00 16.67 O flip ATOM 239 NE2 GLN A 16 -18.813 -21.886 -20.531 1.00 15.74 N flip ATOM 0 H GLN A 16 -16.860 -21.399 -14.873 1.00 11.33 H new ATOM 0 HA GLN A 16 -17.454 -21.814 -16.985 1.00 12.28 H new ATOM 0 HB2 GLN A 16 -19.752 -20.705 -16.280 1.00 13.70 H new ATOM 0 HB3 GLN A 16 -19.185 -19.423 -17.333 1.00 13.70 H new ATOM 0 HG2 GLN A 16 -19.478 -22.344 -18.118 1.00 14.76 H new ATOM 0 HG3 GLN A 16 -20.631 -21.078 -18.487 1.00 14.76 H new ATOM 0 HE21 GLN A 16 -19.250 -22.791 -20.360 1.00 15.74 H new ATOM 0 HE22 GLN A 16 -18.343 -21.707 -21.418 1.00 15.74 H new ATOM 248 N ASP A 17 -15.425 -20.502 -17.675 1.00 12.19 N ATOM 249 CA ASP A 17 -14.320 -19.977 -18.483 1.00 12.70 C ATOM 250 C ASP A 17 -13.687 -18.729 -17.868 1.00 12.06 C ATOM 251 O ASP A 17 -12.573 -18.779 -17.363 1.00 11.64 O ATOM 252 CB ASP A 17 -14.748 -19.747 -19.934 1.00 14.31 C ATOM 253 CG ASP A 17 -13.564 -19.241 -20.743 1.00 15.32 C ATOM 254 OD1 ASP A 17 -13.519 -18.016 -20.974 1.00 16.06 O ATOM 255 OD2 ASP A 17 -12.713 -20.086 -21.089 1.00 15.59 O ATOM 0 H ASP A 17 -15.206 -21.423 -17.295 1.00 12.19 H new ATOM 0 HA ASP A 17 -13.543 -20.741 -18.490 1.00 12.70 H new ATOM 0 HB2 ASP A 17 -15.124 -20.675 -20.364 1.00 14.31 H new ATOM 0 HB3 ASP A 17 -15.563 -19.024 -19.973 1.00 14.31 H new ATOM 260 N SER A 18 -14.473 -17.652 -17.801 1.00 12.25 N ATOM 261 CA SER A 18 -14.280 -16.430 -17.030 1.00 11.86 C ATOM 262 C SER A 18 -13.526 -16.675 -15.720 1.00 10.28 C ATOM 263 O SER A 18 -12.618 -15.922 -15.343 1.00 10.29 O ATOM 264 CB SER A 18 -15.686 -15.907 -16.701 1.00 12.26 C ATOM 265 OG SER A 18 -16.548 -16.007 -17.821 1.00 13.41 O ATOM 0 H SER A 18 -15.340 -17.614 -18.336 1.00 12.25 H new ATOM 0 HA SER A 18 -13.684 -15.725 -17.610 1.00 11.86 H new ATOM 0 HB2 SER A 18 -16.101 -16.474 -15.868 1.00 12.26 H new ATOM 0 HB3 SER A 18 -15.624 -14.867 -16.379 1.00 12.26 H new ATOM 0 HG SER A 18 -16.913 -16.915 -17.873 1.00 13.41 H new ATOM 271 N GLU A 19 -13.934 -17.724 -15.014 1.00 9.27 N ATOM 272 CA GLU A 19 -13.400 -18.108 -13.727 1.00 8.03 C ATOM 273 C GLU A 19 -11.886 -18.291 -13.756 1.00 8.10 C ATOM 274 O GLU A 19 -11.236 -18.063 -12.739 1.00 7.49 O ATOM 275 CB GLU A 19 -14.121 -19.362 -13.248 1.00 7.91 C ATOM 276 CG GLU A 19 -13.809 -20.619 -14.069 1.00 8.80 C ATOM 277 CD GLU A 19 -14.520 -21.821 -13.478 1.00 8.82 C ATOM 278 OE1 GLU A 19 -14.000 -22.317 -12.452 1.00 8.75 O ATOM 279 OE2 GLU A 19 -15.583 -22.178 -14.030 1.00 9.38 O ATOM 0 H GLU A 19 -14.672 -18.348 -15.340 1.00 9.27 H new ATOM 0 HA GLU A 19 -13.579 -17.300 -13.017 1.00 8.03 H new ATOM 0 HB2 GLU A 19 -13.854 -19.546 -12.207 1.00 7.91 H new ATOM 0 HB3 GLU A 19 -15.196 -19.182 -13.274 1.00 7.91 H new ATOM 0 HG2 GLU A 19 -14.123 -20.474 -15.103 1.00 8.80 H new ATOM 0 HG3 GLU A 19 -12.733 -20.795 -14.084 1.00 8.80 H new ATOM 286 N HIS A 20 -11.316 -18.697 -14.888 1.00 9.28 N ATOM 287 CA HIS A 20 -9.880 -18.750 -15.067 1.00 10.17 C ATOM 288 C HIS A 20 -9.253 -17.390 -14.741 1.00 10.48 C ATOM 289 O HIS A 20 -8.299 -17.311 -13.979 1.00 10.55 O ATOM 290 CB HIS A 20 -9.548 -19.187 -16.498 1.00 11.75 C ATOM 291 CG HIS A 20 -8.089 -18.997 -16.793 1.00 13.07 C ATOM 292 ND1 HIS A 20 -7.070 -19.469 -15.998 1.00 13.35 N ATOM 293 CD2 HIS A 20 -7.585 -17.962 -17.532 1.00 14.38 C ATOM 294 CE1 HIS A 20 -5.982 -18.728 -16.244 1.00 14.74 C ATOM 295 NE2 HIS A 20 -6.240 -17.816 -17.195 1.00 15.39 N ATOM 0 H HIS A 20 -11.845 -18.998 -15.706 1.00 9.28 H new ATOM 0 HA HIS A 20 -9.459 -19.484 -14.380 1.00 10.17 H new ATOM 0 HB2 HIS A 20 -9.817 -20.235 -16.634 1.00 11.75 H new ATOM 0 HB3 HIS A 20 -10.144 -18.611 -17.206 1.00 11.75 H new ATOM 0 HD1 HIS A 20 -7.132 -20.245 -15.339 1.00 13.35 H new ATOM 0 HD2 HIS A 20 -8.131 -17.365 -18.248 1.00 14.38 H new ATOM 0 HE1 HIS A 20 -5.031 -18.847 -15.747 1.00 14.74 H new ATOM 303 N SER A 21 -9.778 -16.320 -15.345 1.00 11.11 N ATOM 304 CA SER A 21 -9.253 -14.982 -15.133 1.00 11.89 C ATOM 305 C SER A 21 -9.568 -14.496 -13.719 1.00 10.69 C ATOM 306 O SER A 21 -8.744 -13.830 -13.101 1.00 11.14 O ATOM 307 CB SER A 21 -9.831 -14.042 -16.190 1.00 13.25 C ATOM 308 OG SER A 21 -9.577 -14.576 -17.475 1.00 13.93 O ATOM 0 H SER A 21 -10.570 -16.363 -15.986 1.00 11.11 H new ATOM 0 HA SER A 21 -8.168 -14.996 -15.234 1.00 11.89 H new ATOM 0 HB2 SER A 21 -10.904 -13.921 -16.039 1.00 13.25 H new ATOM 0 HB3 SER A 21 -9.382 -13.053 -16.099 1.00 13.25 H new ATOM 0 HG SER A 21 -9.947 -13.978 -18.157 1.00 13.93 H new ATOM 314 N GLY A 22 -10.772 -14.803 -13.226 1.00 9.45 N ATOM 315 CA GLY A 22 -11.185 -14.405 -11.889 1.00 8.42 C ATOM 316 C GLY A 22 -10.424 -15.180 -10.809 1.00 7.38 C ATOM 317 O GLY A 22 -9.579 -14.629 -10.110 1.00 7.88 O ATOM 0 H GLY A 22 -11.477 -15.329 -13.742 1.00 9.45 H new ATOM 0 HA2 GLY A 22 -11.015 -13.336 -11.758 1.00 8.42 H new ATOM 0 HA3 GLY A 22 -12.255 -14.574 -11.773 1.00 8.42 H new ATOM 321 N LYS A 23 -10.796 -16.446 -10.628 1.00 6.39 N ATOM 322 CA LYS A 23 -10.200 -17.411 -9.739 1.00 6.09 C ATOM 323 C LYS A 23 -8.857 -17.891 -10.279 1.00 7.47 C ATOM 324 O LYS A 23 -7.800 -17.551 -9.764 1.00 8.29 O ATOM 325 CB LYS A 23 -11.257 -18.519 -9.583 1.00 5.68 C ATOM 326 CG LYS A 23 -10.828 -19.608 -8.617 1.00 6.24 C ATOM 327 CD LYS A 23 -11.954 -20.599 -8.271 1.00 6.90 C ATOM 328 CE LYS A 23 -12.173 -21.757 -9.263 1.00 8.21 C ATOM 329 NZ LYS A 23 -12.489 -21.295 -10.629 1.00 8.86 N ATOM 0 H LYS A 23 -11.582 -16.842 -11.143 1.00 6.39 H new ATOM 0 HA LYS A 23 -9.953 -17.000 -8.760 1.00 6.09 H new ATOM 0 HB2 LYS A 23 -12.191 -18.078 -9.235 1.00 5.68 H new ATOM 0 HB3 LYS A 23 -11.458 -18.963 -10.558 1.00 5.68 H new ATOM 0 HG2 LYS A 23 -9.991 -20.157 -9.049 1.00 6.24 H new ATOM 0 HG3 LYS A 23 -10.466 -19.146 -7.698 1.00 6.24 H new ATOM 0 HD2 LYS A 23 -11.746 -21.024 -7.289 1.00 6.90 H new ATOM 0 HD3 LYS A 23 -12.886 -20.041 -8.185 1.00 6.90 H new ATOM 0 HE2 LYS A 23 -11.277 -22.376 -9.293 1.00 8.21 H new ATOM 0 HE3 LYS A 23 -12.985 -22.388 -8.902 1.00 8.21 H new ATOM 0 HZ1 LYS A 23 -13.095 -21.996 -11.101 1.00 8.86 H new ATOM 0 HZ2 LYS A 23 -12.987 -20.383 -10.581 1.00 8.86 H new ATOM 0 HZ3 LYS A 23 -11.608 -21.180 -11.169 1.00 8.86 H new ATOM 343 N MET A 24 -8.967 -18.755 -11.278 1.00 8.01 N ATOM 344 CA MET A 24 -8.036 -19.743 -11.796 1.00 9.40 C ATOM 345 C MET A 24 -8.872 -20.976 -12.108 1.00 9.61 C ATOM 346 O MET A 24 -10.056 -21.013 -11.760 1.00 9.32 O ATOM 347 CB MET A 24 -6.834 -20.073 -10.887 1.00 10.07 C ATOM 348 CG MET A 24 -7.200 -20.712 -9.536 1.00 9.40 C ATOM 349 SD MET A 24 -5.895 -21.681 -8.734 1.00 10.99 S ATOM 350 CE MET A 24 -5.816 -23.103 -9.848 1.00 11.75 C ATOM 0 H MET A 24 -9.833 -18.780 -11.817 1.00 8.01 H new ATOM 0 HA MET A 24 -7.546 -19.333 -12.679 1.00 9.40 H new ATOM 0 HB2 MET A 24 -6.166 -20.748 -11.423 1.00 10.07 H new ATOM 0 HB3 MET A 24 -6.276 -19.155 -10.699 1.00 10.07 H new ATOM 0 HG2 MET A 24 -7.508 -19.920 -8.854 1.00 9.40 H new ATOM 0 HG3 MET A 24 -8.065 -21.358 -9.685 1.00 9.40 H new ATOM 0 HE1 MET A 24 -5.265 -23.911 -9.368 1.00 11.75 H new ATOM 0 HE2 MET A 24 -6.826 -23.440 -10.080 1.00 11.75 H new ATOM 0 HE3 MET A 24 -5.309 -22.816 -10.769 1.00 11.75 H new ATOM 360 N VAL A 25 -8.212 -21.931 -12.769 1.00 10.56 N ATOM 361 CA VAL A 25 -8.676 -23.133 -13.478 1.00 11.40 C ATOM 362 C VAL A 25 -8.122 -23.057 -14.914 1.00 12.73 C ATOM 363 O VAL A 25 -7.539 -22.044 -15.302 1.00 13.56 O ATOM 364 CB VAL A 25 -10.214 -23.312 -13.388 1.00 11.19 C ATOM 365 CG1 VAL A 25 -10.876 -24.251 -14.408 1.00 12.29 C ATOM 366 CG2 VAL A 25 -10.575 -23.893 -12.008 1.00 10.77 C ATOM 0 H VAL A 25 -7.195 -21.872 -12.828 1.00 10.56 H new ATOM 0 HA VAL A 25 -8.294 -24.038 -13.006 1.00 11.40 H new ATOM 0 HB VAL A 25 -10.589 -22.308 -13.588 1.00 11.19 H new ATOM 0 HG11 VAL A 25 -11.951 -24.282 -14.230 1.00 12.29 H new ATOM 0 HG12 VAL A 25 -10.686 -23.884 -15.417 1.00 12.29 H new ATOM 0 HG13 VAL A 25 -10.461 -25.254 -14.302 1.00 12.29 H new ATOM 0 HG21 VAL A 25 -11.655 -24.021 -11.938 1.00 10.77 H new ATOM 0 HG22 VAL A 25 -10.086 -24.859 -11.881 1.00 10.77 H new ATOM 0 HG23 VAL A 25 -10.240 -23.211 -11.227 1.00 10.77 H new ATOM 376 N ALA A 26 -8.268 -24.137 -15.689 1.00 13.32 N ATOM 377 CA ALA A 26 -8.080 -24.193 -17.135 1.00 14.77 C ATOM 378 C ALA A 26 -6.613 -24.207 -17.562 1.00 15.56 C ATOM 379 O ALA A 26 -6.141 -25.208 -18.098 1.00 16.02 O ATOM 380 CB ALA A 26 -8.879 -23.097 -17.857 1.00 15.28 C ATOM 0 H ALA A 26 -8.535 -25.041 -15.300 1.00 13.32 H new ATOM 0 HA ALA A 26 -8.484 -25.156 -17.448 1.00 14.77 H new ATOM 0 HB1 ALA A 26 -8.712 -23.173 -18.931 1.00 15.28 H new ATOM 0 HB2 ALA A 26 -9.941 -23.222 -17.645 1.00 15.28 H new ATOM 0 HB3 ALA A 26 -8.552 -22.118 -17.507 1.00 15.28 H new ATOM 386 N LYS A 27 -5.896 -23.096 -17.385 1.00 16.07 N ATOM 387 CA LYS A 27 -4.552 -22.987 -17.937 1.00 17.23 C ATOM 388 C LYS A 27 -3.577 -23.913 -17.208 1.00 17.41 C ATOM 389 O LYS A 27 -3.568 -23.979 -15.979 1.00 16.89 O ATOM 390 CB LYS A 27 -4.030 -21.550 -17.888 1.00 17.63 C ATOM 391 CG LYS A 27 -4.724 -20.619 -18.887 1.00 17.86 C ATOM 392 CD LYS A 27 -3.942 -19.299 -18.921 1.00 18.89 C ATOM 393 CE LYS A 27 -4.604 -18.239 -19.813 1.00 19.48 C ATOM 394 NZ LYS A 27 -4.611 -16.922 -19.149 1.00 20.06 N ATOM 0 H LYS A 27 -6.219 -22.275 -16.873 1.00 16.07 H new ATOM 0 HA LYS A 27 -4.618 -23.292 -18.981 1.00 17.23 H new ATOM 0 HB2 LYS A 27 -4.165 -21.156 -16.881 1.00 17.63 H new ATOM 0 HB3 LYS A 27 -2.959 -21.553 -18.088 1.00 17.63 H new ATOM 0 HG2 LYS A 27 -4.750 -21.073 -19.878 1.00 17.86 H new ATOM 0 HG3 LYS A 27 -5.758 -20.443 -18.590 1.00 17.86 H new ATOM 0 HD2 LYS A 27 -3.852 -18.909 -17.907 1.00 18.89 H new ATOM 0 HD3 LYS A 27 -2.931 -19.490 -19.280 1.00 18.89 H new ATOM 0 HE2 LYS A 27 -4.070 -18.170 -20.761 1.00 19.48 H new ATOM 0 HE3 LYS A 27 -5.626 -18.539 -20.044 1.00 19.48 H new ATOM 0 HZ1 LYS A 27 -4.823 -16.182 -19.848 1.00 20.06 H new ATOM 0 HZ2 LYS A 27 -5.337 -16.913 -18.404 1.00 20.06 H new ATOM 0 HZ3 LYS A 27 -3.678 -16.742 -18.726 1.00 20.06 H new ATOM 408 N ARG A 28 -2.700 -24.573 -17.971 1.00 18.42 N ATOM 409 CA ARG A 28 -1.605 -25.376 -17.444 1.00 19.02 C ATOM 410 C ARG A 28 -0.484 -24.446 -16.958 1.00 19.36 C ATOM 411 O ARG A 28 0.629 -24.472 -17.481 1.00 20.50 O ATOM 412 CB ARG A 28 -1.154 -26.359 -18.537 1.00 20.30 C ATOM 413 CG ARG A 28 -0.218 -27.456 -18.006 1.00 20.91 C ATOM 414 CD ARG A 28 0.212 -28.404 -19.133 1.00 22.12 C ATOM 415 NE ARG A 28 -0.933 -29.155 -19.677 1.00 22.17 N ATOM 416 CZ ARG A 28 -0.891 -29.951 -20.759 1.00 23.25 C ATOM 417 NH1 ARG A 28 0.260 -30.116 -21.421 1.00 24.37 N ATOM 418 NH2 ARG A 28 -1.999 -30.576 -21.173 1.00 23.37 N ATOM 0 H ARG A 28 -2.737 -24.560 -18.990 1.00 18.42 H new ATOM 0 HA ARG A 28 -1.915 -25.966 -16.582 1.00 19.02 H new ATOM 0 HB2 ARG A 28 -2.032 -26.824 -18.985 1.00 20.30 H new ATOM 0 HB3 ARG A 28 -0.646 -25.807 -19.328 1.00 20.30 H new ATOM 0 HG2 ARG A 28 0.663 -27.000 -17.553 1.00 20.91 H new ATOM 0 HG3 ARG A 28 -0.722 -28.022 -17.223 1.00 20.91 H new ATOM 0 HD2 ARG A 28 0.684 -27.831 -19.931 1.00 22.12 H new ATOM 0 HD3 ARG A 28 0.960 -29.102 -18.757 1.00 22.12 H new ATOM 0 HE ARG A 28 -1.827 -29.064 -19.195 1.00 22.17 H new ATOM 0 HH11 ARG A 28 1.104 -29.638 -21.104 1.00 24.37 H new ATOM 0 HH12 ARG A 28 0.294 -30.720 -22.242 1.00 24.37 H new ATOM 0 HH21 ARG A 28 -2.876 -30.448 -20.667 1.00 23.37 H new ATOM 0 HH22 ARG A 28 -1.967 -31.180 -21.994 1.00 23.37 H new ATOM 432 N GLN A 29 -0.798 -23.603 -15.974 1.00 18.55 N ATOM 433 CA GLN A 29 0.158 -22.746 -15.282 1.00 18.92 C ATOM 434 C GLN A 29 0.755 -23.527 -14.102 1.00 18.62 C ATOM 435 O GLN A 29 0.558 -24.737 -13.985 1.00 18.86 O ATOM 436 CB GLN A 29 -0.552 -21.439 -14.879 1.00 18.65 C ATOM 437 CG GLN A 29 -0.725 -20.537 -16.113 1.00 19.50 C ATOM 438 CD GLN A 29 -1.718 -19.388 -15.914 1.00 19.47 C ATOM 439 OE1 GLN A 29 -2.655 -19.498 -15.132 1.00 18.69 O ATOM 440 NE2 GLN A 29 -1.543 -18.298 -16.659 1.00 20.55 N ATOM 0 H GLN A 29 -1.752 -23.496 -15.629 1.00 18.55 H new ATOM 0 HA GLN A 29 0.994 -22.461 -15.920 1.00 18.92 H new ATOM 0 HB2 GLN A 29 -1.525 -21.663 -14.442 1.00 18.65 H new ATOM 0 HB3 GLN A 29 0.028 -20.920 -14.116 1.00 18.65 H new ATOM 0 HG2 GLN A 29 0.245 -20.121 -16.385 1.00 19.50 H new ATOM 0 HG3 GLN A 29 -1.056 -21.148 -16.953 1.00 19.50 H new ATOM 0 HE21 GLN A 29 -0.752 -18.240 -17.300 1.00 20.55 H new ATOM 0 HE22 GLN A 29 -2.200 -17.521 -16.589 1.00 20.55 H new ATOM 449 N PHE A 30 1.521 -22.847 -13.244 1.00 18.36 N ATOM 450 CA PHE A 30 2.175 -23.458 -12.093 1.00 18.23 C ATOM 451 C PHE A 30 1.150 -23.995 -11.088 1.00 16.72 C ATOM 452 O PHE A 30 -0.054 -23.782 -11.232 1.00 16.10 O ATOM 453 CB PHE A 30 3.095 -22.428 -11.424 1.00 18.58 C ATOM 454 CG PHE A 30 3.946 -21.632 -12.395 1.00 20.28 C ATOM 455 CD1 PHE A 30 3.667 -20.271 -12.632 1.00 20.98 C ATOM 456 CD2 PHE A 30 4.954 -22.277 -13.136 1.00 21.35 C ATOM 457 CE1 PHE A 30 4.399 -19.560 -13.599 1.00 22.70 C ATOM 458 CE2 PHE A 30 5.685 -21.564 -14.102 1.00 23.03 C ATOM 459 CZ PHE A 30 5.408 -20.207 -14.334 1.00 23.68 C ATOM 0 H PHE A 30 1.704 -21.847 -13.334 1.00 18.36 H new ATOM 0 HA PHE A 30 2.768 -24.305 -12.439 1.00 18.23 H new ATOM 0 HB2 PHE A 30 2.486 -21.737 -10.842 1.00 18.58 H new ATOM 0 HB3 PHE A 30 3.750 -22.944 -10.722 1.00 18.58 H new ATOM 0 HD1 PHE A 30 2.890 -19.774 -12.070 1.00 20.98 H new ATOM 0 HD2 PHE A 30 5.166 -23.322 -12.962 1.00 21.35 H new ATOM 0 HE1 PHE A 30 4.186 -18.516 -13.777 1.00 22.70 H new ATOM 0 HE2 PHE A 30 6.461 -22.060 -14.666 1.00 23.03 H new ATOM 0 HZ PHE A 30 5.970 -19.660 -15.077 1.00 23.68 H new ATOM 469 N ARG A 31 1.634 -24.657 -10.032 1.00 16.36 N ATOM 470 CA ARG A 31 0.801 -25.211 -8.969 1.00 15.22 C ATOM 471 C ARG A 31 0.261 -24.095 -8.060 1.00 13.93 C ATOM 472 O ARG A 31 0.549 -24.060 -6.866 1.00 13.66 O ATOM 473 CB ARG A 31 1.616 -26.260 -8.190 1.00 15.98 C ATOM 474 CG ARG A 31 0.752 -27.128 -7.257 1.00 15.54 C ATOM 475 CD ARG A 31 0.092 -28.309 -7.984 1.00 16.19 C ATOM 476 NE ARG A 31 1.059 -29.372 -8.312 1.00 17.18 N ATOM 477 CZ ARG A 31 1.517 -30.299 -7.452 1.00 18.01 C ATOM 478 NH1 ARG A 31 1.130 -30.270 -6.171 1.00 18.03 N ATOM 479 NH2 ARG A 31 2.359 -31.251 -7.872 1.00 19.05 N ATOM 0 H ARG A 31 2.631 -24.823 -9.893 1.00 16.36 H new ATOM 0 HA ARG A 31 -0.071 -25.705 -9.399 1.00 15.22 H new ATOM 0 HB2 ARG A 31 2.136 -26.905 -8.898 1.00 15.98 H new ATOM 0 HB3 ARG A 31 2.380 -25.753 -7.600 1.00 15.98 H new ATOM 0 HG2 ARG A 31 1.372 -27.508 -6.445 1.00 15.54 H new ATOM 0 HG3 ARG A 31 -0.022 -26.508 -6.804 1.00 15.54 H new ATOM 0 HD2 ARG A 31 -0.700 -28.721 -7.359 1.00 16.19 H new ATOM 0 HD3 ARG A 31 -0.378 -27.952 -8.901 1.00 16.19 H new ATOM 0 HE ARG A 31 1.409 -29.407 -9.269 1.00 17.18 H new ATOM 0 HH11 ARG A 31 0.489 -29.546 -5.848 1.00 18.03 H new ATOM 0 HH12 ARG A 31 1.476 -30.972 -5.518 1.00 18.03 H new ATOM 0 HH21 ARG A 31 2.656 -31.275 -8.848 1.00 19.05 H new ATOM 0 HH22 ARG A 31 2.704 -31.952 -7.216 1.00 19.05 H new ATOM 493 N ILE A 32 -0.541 -23.193 -8.622 1.00 13.39 N ATOM 494 CA ILE A 32 -1.354 -22.255 -7.865 1.00 12.25 C ATOM 495 C ILE A 32 -2.558 -23.055 -7.358 1.00 11.08 C ATOM 496 O ILE A 32 -3.029 -23.949 -8.060 1.00 11.58 O ATOM 497 CB ILE A 32 -1.774 -21.077 -8.771 1.00 12.76 C ATOM 498 CG1 ILE A 32 -0.538 -20.435 -9.434 1.00 14.40 C ATOM 499 CG2 ILE A 32 -2.553 -20.028 -7.960 1.00 11.96 C ATOM 500 CD1 ILE A 32 -0.888 -19.300 -10.400 1.00 15.23 C ATOM 0 H ILE A 32 -0.643 -23.095 -9.632 1.00 13.39 H new ATOM 0 HA ILE A 32 -0.814 -21.817 -7.025 1.00 12.25 H new ATOM 0 HB ILE A 32 -2.424 -21.462 -9.556 1.00 12.76 H new ATOM 0 HG12 ILE A 32 0.123 -20.051 -8.657 1.00 14.40 H new ATOM 0 HG13 ILE A 32 0.016 -21.203 -9.973 1.00 14.40 H new ATOM 0 HG21 ILE A 32 -2.842 -19.204 -8.613 1.00 11.96 H new ATOM 0 HG22 ILE A 32 -3.447 -20.486 -7.536 1.00 11.96 H new ATOM 0 HG23 ILE A 32 -1.923 -19.649 -7.155 1.00 11.96 H new ATOM 0 HD11 ILE A 32 0.027 -18.893 -10.831 1.00 15.23 H new ATOM 0 HD12 ILE A 32 -1.525 -19.684 -11.197 1.00 15.23 H new ATOM 0 HD13 ILE A 32 -1.416 -18.513 -9.861 1.00 15.23 H new ATOM 512 N GLY A 33 -3.045 -22.780 -6.146 1.00 9.95 N ATOM 513 CA GLY A 33 -4.180 -23.520 -5.608 1.00 9.29 C ATOM 514 C GLY A 33 -4.859 -22.823 -4.432 1.00 7.95 C ATOM 515 O GLY A 33 -5.442 -23.503 -3.591 1.00 8.16 O ATOM 0 H GLY A 33 -2.674 -22.059 -5.528 1.00 9.95 H new ATOM 0 HA2 GLY A 33 -4.912 -23.674 -6.401 1.00 9.29 H new ATOM 0 HA3 GLY A 33 -3.843 -24.506 -5.290 1.00 9.29 H new ATOM 519 N ASP A 34 -4.810 -21.488 -4.387 1.00 7.07 N ATOM 520 CA ASP A 34 -5.566 -20.673 -3.446 1.00 6.09 C ATOM 521 C ASP A 34 -5.607 -19.246 -3.994 1.00 5.40 C ATOM 522 O ASP A 34 -4.701 -18.865 -4.738 1.00 6.02 O ATOM 523 CB ASP A 34 -4.938 -20.708 -2.048 1.00 7.08 C ATOM 524 CG ASP A 34 -5.748 -19.887 -1.053 1.00 7.43 C ATOM 525 OD1 ASP A 34 -5.140 -19.459 -0.051 1.00 8.21 O ATOM 526 OD2 ASP A 34 -6.956 -19.697 -1.320 1.00 7.59 O ATOM 0 H ASP A 34 -4.230 -20.937 -5.020 1.00 7.07 H new ATOM 0 HA ASP A 34 -6.577 -21.066 -3.342 1.00 6.09 H new ATOM 0 HB2 ASP A 34 -4.873 -21.740 -1.703 1.00 7.08 H new ATOM 0 HB3 ASP A 34 -3.919 -20.323 -2.096 1.00 7.08 H new ATOM 531 N ILE A 35 -6.671 -18.503 -3.687 1.00 4.82 N ATOM 532 CA ILE A 35 -6.959 -17.159 -4.159 1.00 4.56 C ATOM 533 C ILE A 35 -7.648 -16.389 -3.031 1.00 3.53 C ATOM 534 O ILE A 35 -8.698 -16.805 -2.552 1.00 3.63 O ATOM 535 CB ILE A 35 -7.897 -17.230 -5.374 1.00 5.43 C ATOM 536 CG1 ILE A 35 -7.319 -18.080 -6.515 1.00 6.96 C ATOM 537 CG2 ILE A 35 -8.282 -15.828 -5.874 1.00 6.02 C ATOM 538 CD1 ILE A 35 -6.146 -17.426 -7.254 1.00 8.32 C ATOM 0 H ILE A 35 -7.398 -18.851 -3.062 1.00 4.82 H new ATOM 0 HA ILE A 35 -6.035 -16.658 -4.450 1.00 4.56 H new ATOM 0 HB ILE A 35 -8.804 -17.728 -5.032 1.00 5.43 H new ATOM 0 HG12 ILE A 35 -6.990 -19.037 -6.110 1.00 6.96 H new ATOM 0 HG13 ILE A 35 -8.112 -18.293 -7.232 1.00 6.96 H new ATOM 0 HG21 ILE A 35 -8.946 -15.918 -6.734 1.00 6.02 H new ATOM 0 HG22 ILE A 35 -8.791 -15.285 -5.078 1.00 6.02 H new ATOM 0 HG23 ILE A 35 -7.382 -15.286 -6.165 1.00 6.02 H new ATOM 0 HD11 ILE A 35 -5.797 -18.091 -8.044 1.00 8.32 H new ATOM 0 HD12 ILE A 35 -6.472 -16.483 -7.692 1.00 8.32 H new ATOM 0 HD13 ILE A 35 -5.333 -17.238 -6.552 1.00 8.32 H new ATOM 550 N ALA A 36 -7.085 -15.244 -2.638 1.00 3.72 N ATOM 551 CA ALA A 36 -7.702 -14.368 -1.652 1.00 3.74 C ATOM 552 C ALA A 36 -8.729 -13.450 -2.318 1.00 3.04 C ATOM 553 O ALA A 36 -9.910 -13.468 -1.976 1.00 3.55 O ATOM 554 CB ALA A 36 -6.616 -13.559 -0.943 1.00 5.19 C ATOM 0 H ALA A 36 -6.192 -14.903 -2.995 1.00 3.72 H new ATOM 0 HA ALA A 36 -8.230 -14.970 -0.912 1.00 3.74 H new ATOM 0 HB1 ALA A 36 -7.075 -12.902 -0.204 1.00 5.19 H new ATOM 0 HB2 ALA A 36 -5.924 -14.238 -0.445 1.00 5.19 H new ATOM 0 HB3 ALA A 36 -6.073 -12.959 -1.674 1.00 5.19 H new ATOM 560 N GLY A 37 -8.281 -12.617 -3.263 1.00 2.87 N ATOM 561 CA GLY A 37 -9.050 -11.471 -3.721 1.00 2.50 C ATOM 562 C GLY A 37 -10.180 -11.783 -4.707 1.00 1.89 C ATOM 563 O GLY A 37 -10.309 -11.047 -5.690 1.00 2.28 O ATOM 0 H GLY A 37 -7.378 -12.723 -3.726 1.00 2.87 H new ATOM 0 HA2 GLY A 37 -9.478 -10.973 -2.851 1.00 2.50 H new ATOM 0 HA3 GLY A 37 -8.368 -10.763 -4.191 1.00 2.50 H new ATOM 567 N GLU A 38 -11.023 -12.793 -4.428 1.00 1.80 N ATOM 568 CA GLU A 38 -12.185 -13.192 -5.220 1.00 1.61 C ATOM 569 C GLU A 38 -12.793 -12.022 -5.988 1.00 1.30 C ATOM 570 O GLU A 38 -12.753 -11.973 -7.215 1.00 1.28 O ATOM 571 CB GLU A 38 -13.316 -13.683 -4.302 1.00 1.80 C ATOM 572 CG GLU A 38 -13.170 -14.982 -3.506 1.00 2.30 C ATOM 573 CD GLU A 38 -14.437 -15.183 -2.674 1.00 3.06 C ATOM 574 OE1 GLU A 38 -14.670 -16.328 -2.231 1.00 4.01 O ATOM 575 OE2 GLU A 38 -15.181 -14.182 -2.527 1.00 3.64 O ATOM 0 H GLU A 38 -10.900 -13.378 -3.601 1.00 1.80 H new ATOM 0 HA GLU A 38 -11.822 -13.963 -5.900 1.00 1.61 H new ATOM 0 HB2 GLU A 38 -13.514 -12.887 -3.584 1.00 1.80 H new ATOM 0 HB3 GLU A 38 -14.209 -13.784 -4.919 1.00 1.80 H new ATOM 0 HG2 GLU A 38 -13.021 -15.825 -4.180 1.00 2.30 H new ATOM 0 HG3 GLU A 38 -12.295 -14.934 -2.858 1.00 2.30 H new ATOM 582 N HIS A 39 -13.410 -11.106 -5.233 1.00 1.32 N ATOM 583 CA HIS A 39 -14.341 -10.137 -5.744 1.00 1.37 C ATOM 584 C HIS A 39 -13.588 -9.101 -6.576 1.00 1.33 C ATOM 585 O HIS A 39 -14.073 -8.676 -7.619 1.00 1.57 O ATOM 586 CB HIS A 39 -15.153 -9.581 -4.569 1.00 1.72 C ATOM 587 CG HIS A 39 -16.295 -10.489 -4.149 1.00 2.53 C ATOM 588 ND1 HIS A 39 -16.235 -11.797 -3.680 1.00 3.14 N ATOM 589 CD2 HIS A 39 -17.621 -10.185 -4.316 1.00 3.67 C ATOM 590 CE1 HIS A 39 -17.499 -12.246 -3.584 1.00 4.05 C ATOM 591 NE2 HIS A 39 -18.379 -11.295 -3.940 1.00 4.41 N ATOM 0 H HIS A 39 -13.261 -11.030 -4.227 1.00 1.32 H new ATOM 0 HA HIS A 39 -15.067 -10.573 -6.430 1.00 1.37 H new ATOM 0 HB2 HIS A 39 -14.489 -9.425 -3.718 1.00 1.72 H new ATOM 0 HB3 HIS A 39 -15.555 -8.605 -4.843 1.00 1.72 H new ATOM 0 HD1 HIS A 39 -15.389 -12.319 -3.451 1.00 3.14 H new ATOM 0 HD2 HIS A 39 -18.013 -9.246 -4.677 1.00 3.67 H new ATOM 0 HE1 HIS A 39 -17.771 -13.241 -3.263 1.00 4.05 H new ATOM 599 N THR A 40 -12.361 -8.757 -6.173 1.00 1.33 N ATOM 600 CA THR A 40 -11.537 -7.844 -6.949 1.00 1.53 C ATOM 601 C THR A 40 -11.248 -8.430 -8.331 1.00 1.32 C ATOM 602 O THR A 40 -11.343 -7.747 -9.345 1.00 1.63 O ATOM 603 CB THR A 40 -10.238 -7.496 -6.208 1.00 1.89 C ATOM 604 OG1 THR A 40 -9.337 -8.586 -6.201 1.00 2.21 O ATOM 605 CG2 THR A 40 -10.470 -7.043 -4.767 1.00 2.80 C ATOM 0 H THR A 40 -11.924 -9.099 -5.317 1.00 1.33 H new ATOM 0 HA THR A 40 -12.092 -6.915 -7.082 1.00 1.53 H new ATOM 0 HB THR A 40 -9.808 -6.661 -6.762 1.00 1.89 H new ATOM 0 HG1 THR A 40 -9.762 -9.359 -5.775 1.00 2.21 H new ATOM 0 HG21 THR A 40 -9.513 -6.812 -4.300 1.00 2.80 H new ATOM 0 HG22 THR A 40 -11.100 -6.153 -4.762 1.00 2.80 H new ATOM 0 HG23 THR A 40 -10.963 -7.840 -4.210 1.00 2.80 H new ATOM 613 N SER A 41 -10.827 -9.693 -8.365 1.00 1.02 N ATOM 614 CA SER A 41 -10.500 -10.381 -9.611 1.00 0.97 C ATOM 615 C SER A 41 -11.753 -10.545 -10.474 1.00 1.11 C ATOM 616 O SER A 41 -11.799 -10.052 -11.604 1.00 1.23 O ATOM 617 CB SER A 41 -9.756 -11.680 -9.295 1.00 1.16 C ATOM 618 OG SER A 41 -8.659 -11.372 -8.448 1.00 2.29 O ATOM 0 H SER A 41 -10.703 -10.267 -7.531 1.00 1.02 H new ATOM 0 HA SER A 41 -9.818 -9.786 -10.219 1.00 0.97 H new ATOM 0 HB2 SER A 41 -10.424 -12.391 -8.808 1.00 1.16 H new ATOM 0 HB3 SER A 41 -9.406 -12.150 -10.214 1.00 1.16 H new ATOM 0 HG SER A 41 -8.042 -12.133 -8.422 1.00 2.29 H new ATOM 624 N PHE A 42 -12.784 -11.169 -9.896 1.00 1.25 N ATOM 625 CA PHE A 42 -14.132 -11.274 -10.447 1.00 1.49 C ATOM 626 C PHE A 42 -14.570 -9.979 -11.131 1.00 1.60 C ATOM 627 O PHE A 42 -15.020 -10.032 -12.273 1.00 1.87 O ATOM 628 CB PHE A 42 -15.108 -11.650 -9.321 1.00 1.65 C ATOM 629 CG PHE A 42 -16.537 -11.176 -9.509 1.00 1.75 C ATOM 630 CD1 PHE A 42 -17.378 -11.811 -10.440 1.00 2.83 C ATOM 631 CD2 PHE A 42 -16.949 -9.968 -8.916 1.00 2.06 C ATOM 632 CE1 PHE A 42 -18.611 -11.235 -10.784 1.00 2.97 C ATOM 633 CE2 PHE A 42 -18.133 -9.344 -9.332 1.00 2.37 C ATOM 634 CZ PHE A 42 -18.978 -9.985 -10.255 1.00 2.28 C ATOM 0 H PHE A 42 -12.694 -11.634 -8.992 1.00 1.25 H new ATOM 0 HA PHE A 42 -14.134 -12.052 -11.211 1.00 1.49 H new ATOM 0 HB2 PHE A 42 -15.114 -12.735 -9.217 1.00 1.65 H new ATOM 0 HB3 PHE A 42 -14.729 -11.242 -8.384 1.00 1.65 H new ATOM 0 HD1 PHE A 42 -17.075 -12.744 -10.891 1.00 2.83 H new ATOM 0 HD2 PHE A 42 -16.350 -9.520 -8.137 1.00 2.06 H new ATOM 0 HE1 PHE A 42 -19.279 -11.753 -11.456 1.00 2.97 H new ATOM 0 HE2 PHE A 42 -18.396 -8.371 -8.944 1.00 2.37 H new ATOM 0 HZ PHE A 42 -19.905 -9.519 -10.556 1.00 2.28 H new ATOM 644 N ASP A 43 -14.461 -8.841 -10.424 1.00 1.52 N ATOM 645 CA ASP A 43 -14.998 -7.560 -10.864 1.00 1.76 C ATOM 646 C ASP A 43 -14.708 -7.329 -12.341 1.00 1.79 C ATOM 647 O ASP A 43 -15.633 -7.061 -13.108 1.00 2.38 O ATOM 648 CB ASP A 43 -14.442 -6.409 -10.011 1.00 1.84 C ATOM 649 CG ASP A 43 -14.942 -5.051 -10.479 1.00 2.21 C ATOM 650 OD1 ASP A 43 -16.143 -4.963 -10.820 1.00 3.01 O ATOM 651 OD2 ASP A 43 -14.108 -4.125 -10.561 1.00 2.59 O ATOM 0 H ASP A 43 -13.990 -8.794 -9.521 1.00 1.52 H new ATOM 0 HA ASP A 43 -16.080 -7.585 -10.731 1.00 1.76 H new ATOM 0 HB2 ASP A 43 -14.728 -6.560 -8.970 1.00 1.84 H new ATOM 0 HB3 ASP A 43 -13.353 -6.425 -10.048 1.00 1.84 H new ATOM 656 N LYS A 44 -13.428 -7.414 -12.720 1.00 1.36 N ATOM 657 CA LYS A 44 -12.931 -7.284 -14.089 1.00 1.40 C ATOM 658 C LYS A 44 -11.401 -7.168 -14.094 1.00 1.47 C ATOM 659 O LYS A 44 -10.865 -6.313 -14.797 1.00 1.81 O ATOM 660 CB LYS A 44 -13.582 -6.083 -14.820 1.00 1.61 C ATOM 661 CG LYS A 44 -13.487 -4.774 -14.013 1.00 2.68 C ATOM 662 CD LYS A 44 -14.434 -3.690 -14.550 1.00 2.95 C ATOM 663 CE LYS A 44 -15.584 -3.395 -13.577 1.00 3.28 C ATOM 664 NZ LYS A 44 -16.452 -4.562 -13.333 1.00 3.38 N ATOM 0 H LYS A 44 -12.679 -7.583 -12.049 1.00 1.36 H new ATOM 0 HA LYS A 44 -13.211 -8.185 -14.634 1.00 1.40 H new ATOM 0 HB2 LYS A 44 -13.098 -5.945 -15.787 1.00 1.61 H new ATOM 0 HB3 LYS A 44 -14.630 -6.308 -15.018 1.00 1.61 H new ATOM 0 HG2 LYS A 44 -13.724 -4.975 -12.968 1.00 2.68 H new ATOM 0 HG3 LYS A 44 -12.462 -4.405 -14.042 1.00 2.68 H new ATOM 0 HD2 LYS A 44 -13.871 -2.775 -14.733 1.00 2.95 H new ATOM 0 HD3 LYS A 44 -14.843 -4.009 -15.508 1.00 2.95 H new ATOM 0 HE2 LYS A 44 -15.170 -3.053 -12.628 1.00 3.28 H new ATOM 0 HE3 LYS A 44 -16.187 -2.578 -13.974 1.00 3.28 H new ATOM 0 HZ1 LYS A 44 -16.644 -4.645 -12.314 1.00 3.38 H new ATOM 0 HZ2 LYS A 44 -17.349 -4.441 -13.846 1.00 3.38 H new ATOM 0 HZ3 LYS A 44 -15.976 -5.424 -13.667 1.00 3.38 H new ATOM 678 N LEU A 45 -10.683 -7.984 -13.307 1.00 1.35 N ATOM 679 CA LEU A 45 -9.233 -7.841 -13.158 1.00 1.43 C ATOM 680 C LEU A 45 -8.536 -9.204 -13.340 1.00 1.47 C ATOM 681 O LEU A 45 -8.947 -10.170 -12.703 1.00 2.04 O ATOM 682 CB LEU A 45 -8.914 -7.154 -11.819 1.00 1.54 C ATOM 683 CG LEU A 45 -9.403 -5.689 -11.758 1.00 1.58 C ATOM 684 CD1 LEU A 45 -9.248 -5.122 -10.343 1.00 1.75 C ATOM 685 CD2 LEU A 45 -8.636 -4.760 -12.712 1.00 2.66 C ATOM 0 H LEU A 45 -11.086 -8.749 -12.765 1.00 1.35 H new ATOM 0 HA LEU A 45 -8.835 -7.196 -13.942 1.00 1.43 H new ATOM 0 HB2 LEU A 45 -9.375 -7.719 -11.009 1.00 1.54 H new ATOM 0 HB3 LEU A 45 -7.837 -7.179 -11.652 1.00 1.54 H new ATOM 0 HG LEU A 45 -10.450 -5.720 -12.059 1.00 1.58 H new ATOM 0 HD11 LEU A 45 -9.598 -4.090 -10.324 1.00 1.75 H new ATOM 0 HD12 LEU A 45 -9.837 -5.718 -9.646 1.00 1.75 H new ATOM 0 HD13 LEU A 45 -8.198 -5.154 -10.051 1.00 1.75 H new ATOM 0 HD21 LEU A 45 -9.025 -3.746 -12.623 1.00 2.66 H new ATOM 0 HD22 LEU A 45 -7.577 -4.766 -12.453 1.00 2.66 H new ATOM 0 HD23 LEU A 45 -8.761 -5.108 -13.737 1.00 2.66 H new ATOM 697 N PRO A 46 -7.531 -9.300 -14.235 1.00 1.28 N ATOM 698 CA PRO A 46 -7.004 -10.562 -14.762 1.00 1.44 C ATOM 699 C PRO A 46 -6.011 -11.270 -13.831 1.00 1.49 C ATOM 700 O PRO A 46 -5.856 -10.907 -12.671 1.00 1.55 O ATOM 701 CB PRO A 46 -6.311 -10.156 -16.074 1.00 1.80 C ATOM 702 CG PRO A 46 -5.816 -8.743 -15.792 1.00 1.91 C ATOM 703 CD PRO A 46 -6.986 -8.182 -14.998 1.00 1.58 C ATOM 0 HA PRO A 46 -7.809 -11.286 -14.886 1.00 1.44 H new ATOM 0 HB2 PRO A 46 -5.488 -10.828 -16.318 1.00 1.80 H new ATOM 0 HB3 PRO A 46 -7.002 -10.179 -16.917 1.00 1.80 H new ATOM 0 HG2 PRO A 46 -4.888 -8.737 -15.220 1.00 1.91 H new ATOM 0 HG3 PRO A 46 -5.630 -8.180 -16.707 1.00 1.91 H new ATOM 0 HD2 PRO A 46 -6.659 -7.381 -14.335 1.00 1.58 H new ATOM 0 HD3 PRO A 46 -7.740 -7.759 -15.662 1.00 1.58 H new ATOM 711 N GLU A 47 -5.277 -12.242 -14.388 1.00 2.04 N ATOM 712 CA GLU A 47 -4.161 -12.951 -13.771 1.00 2.52 C ATOM 713 C GLU A 47 -2.834 -12.168 -13.848 1.00 2.16 C ATOM 714 O GLU A 47 -1.763 -12.753 -13.711 1.00 2.92 O ATOM 715 CB GLU A 47 -4.028 -14.304 -14.492 1.00 3.40 C ATOM 716 CG GLU A 47 -3.479 -14.130 -15.922 1.00 3.80 C ATOM 717 CD GLU A 47 -3.941 -15.222 -16.866 1.00 4.65 C ATOM 718 OE1 GLU A 47 -5.041 -15.054 -17.433 1.00 5.21 O ATOM 719 OE2 GLU A 47 -3.182 -16.191 -17.111 1.00 5.30 O ATOM 0 H GLU A 47 -5.461 -12.570 -15.336 1.00 2.04 H new ATOM 0 HA GLU A 47 -4.366 -13.080 -12.708 1.00 2.52 H new ATOM 0 HB2 GLU A 47 -3.366 -14.957 -13.924 1.00 3.40 H new ATOM 0 HB3 GLU A 47 -5.001 -14.794 -14.532 1.00 3.40 H new ATOM 0 HG2 GLU A 47 -3.794 -13.162 -16.312 1.00 3.80 H new ATOM 0 HG3 GLU A 47 -2.390 -14.121 -15.889 1.00 3.80 H new ATOM 726 N GLY A 48 -2.881 -10.864 -14.143 1.00 1.51 N ATOM 727 CA GLY A 48 -1.701 -10.057 -14.400 1.00 1.77 C ATOM 728 C GLY A 48 -0.767 -9.997 -13.194 1.00 1.18 C ATOM 729 O GLY A 48 -1.164 -10.281 -12.072 1.00 2.00 O ATOM 0 H GLY A 48 -3.754 -10.341 -14.209 1.00 1.51 H new ATOM 0 HA2 GLY A 48 -1.162 -10.467 -15.254 1.00 1.77 H new ATOM 0 HA3 GLY A 48 -2.007 -9.046 -14.671 1.00 1.77 H new ATOM 733 N GLY A 49 0.477 -9.584 -13.428 1.00 1.36 N ATOM 734 CA GLY A 49 1.557 -9.664 -12.445 1.00 1.25 C ATOM 735 C GLY A 49 1.767 -8.401 -11.599 1.00 1.28 C ATOM 736 O GLY A 49 2.296 -8.489 -10.492 1.00 1.86 O ATOM 0 H GLY A 49 0.768 -9.179 -14.318 1.00 1.36 H new ATOM 0 HA2 GLY A 49 1.356 -10.501 -11.776 1.00 1.25 H new ATOM 0 HA3 GLY A 49 2.486 -9.890 -12.968 1.00 1.25 H new ATOM 740 N ARG A 50 1.438 -7.219 -12.133 1.00 1.03 N ATOM 741 CA ARG A 50 1.742 -5.921 -11.519 1.00 1.07 C ATOM 742 C ARG A 50 0.705 -4.864 -11.906 1.00 1.13 C ATOM 743 O ARG A 50 0.875 -4.191 -12.921 1.00 1.88 O ATOM 744 CB ARG A 50 3.153 -5.441 -11.912 1.00 1.26 C ATOM 745 CG ARG A 50 4.255 -6.438 -11.535 1.00 2.44 C ATOM 746 CD ARG A 50 5.650 -5.814 -11.683 1.00 2.81 C ATOM 747 NE ARG A 50 6.705 -6.842 -11.751 1.00 3.56 N ATOM 748 CZ ARG A 50 7.078 -7.663 -10.754 1.00 4.40 C ATOM 749 NH1 ARG A 50 6.512 -7.551 -9.548 1.00 5.07 N ATOM 750 NH2 ARG A 50 8.015 -8.594 -10.970 1.00 5.21 N ATOM 0 H ARG A 50 0.943 -7.136 -13.021 1.00 1.03 H new ATOM 0 HA ARG A 50 1.706 -6.058 -10.438 1.00 1.07 H new ATOM 0 HB2 ARG A 50 3.184 -5.264 -12.987 1.00 1.26 H new ATOM 0 HB3 ARG A 50 3.354 -4.486 -11.426 1.00 1.26 H new ATOM 0 HG2 ARG A 50 4.111 -6.770 -10.507 1.00 2.44 H new ATOM 0 HG3 ARG A 50 4.181 -7.321 -12.169 1.00 2.44 H new ATOM 0 HD2 ARG A 50 5.681 -5.202 -12.584 1.00 2.81 H new ATOM 0 HD3 ARG A 50 5.843 -5.150 -10.840 1.00 2.81 H new ATOM 0 HE ARG A 50 7.198 -6.939 -12.638 1.00 3.56 H new ATOM 0 HH11 ARG A 50 5.797 -6.842 -9.384 1.00 5.07 H new ATOM 0 HH12 ARG A 50 6.795 -8.174 -8.792 1.00 5.07 H new ATOM 0 HH21 ARG A 50 8.446 -8.680 -11.891 1.00 5.21 H new ATOM 0 HH22 ARG A 50 8.299 -9.217 -10.214 1.00 5.21 H new ATOM 764 N ALA A 51 -0.358 -4.696 -11.113 1.00 0.86 N ATOM 765 CA ALA A 51 -1.363 -3.680 -11.398 1.00 0.84 C ATOM 766 C ALA A 51 -0.905 -2.292 -10.958 1.00 0.98 C ATOM 767 O ALA A 51 0.004 -2.145 -10.143 1.00 1.68 O ATOM 768 CB ALA A 51 -2.713 -4.012 -10.761 1.00 1.51 C ATOM 0 H ALA A 51 -0.540 -5.249 -10.275 1.00 0.86 H new ATOM 0 HA ALA A 51 -1.492 -3.674 -12.480 1.00 0.84 H new ATOM 0 HB1 ALA A 51 -3.431 -3.227 -11.000 1.00 1.51 H new ATOM 0 HB2 ALA A 51 -3.074 -4.965 -11.149 1.00 1.51 H new ATOM 0 HB3 ALA A 51 -2.598 -4.081 -9.679 1.00 1.51 H new ATOM 774 N THR A 52 -1.582 -1.275 -11.489 1.00 0.86 N ATOM 775 CA THR A 52 -1.160 0.118 -11.477 1.00 1.12 C ATOM 776 C THR A 52 -1.427 0.814 -10.133 1.00 1.42 C ATOM 777 O THR A 52 -2.082 1.852 -10.100 1.00 1.65 O ATOM 778 CB THR A 52 -1.842 0.834 -12.666 1.00 1.37 C ATOM 779 OG1 THR A 52 -1.567 2.216 -12.653 1.00 1.87 O ATOM 780 CG2 THR A 52 -3.360 0.591 -12.746 1.00 1.46 C ATOM 0 H THR A 52 -2.478 -1.409 -11.959 1.00 0.86 H new ATOM 0 HA THR A 52 -0.077 0.167 -11.594 1.00 1.12 H new ATOM 0 HB THR A 52 -1.410 0.390 -13.563 1.00 1.37 H new ATOM 0 HG1 THR A 52 -1.810 2.590 -11.780 1.00 1.87 H new ATOM 0 HG21 THR A 52 -3.769 1.124 -13.604 1.00 1.46 H new ATOM 0 HG22 THR A 52 -3.552 -0.476 -12.857 1.00 1.46 H new ATOM 0 HG23 THR A 52 -3.835 0.953 -11.834 1.00 1.46 H new ATOM 788 N TYR A 53 -0.856 0.328 -9.028 1.00 1.78 N ATOM 789 CA TYR A 53 -0.965 1.001 -7.729 1.00 2.22 C ATOM 790 C TYR A 53 0.006 2.195 -7.685 1.00 2.06 C ATOM 791 O TYR A 53 0.997 2.198 -6.959 1.00 2.46 O ATOM 792 CB TYR A 53 -0.739 0.000 -6.583 1.00 2.51 C ATOM 793 CG TYR A 53 -1.930 -0.856 -6.187 1.00 2.27 C ATOM 794 CD1 TYR A 53 -2.100 -1.212 -4.834 1.00 3.34 C ATOM 795 CD2 TYR A 53 -2.808 -1.379 -7.156 1.00 2.41 C ATOM 796 CE1 TYR A 53 -3.128 -2.095 -4.458 1.00 3.44 C ATOM 797 CE2 TYR A 53 -3.852 -2.237 -6.774 1.00 2.82 C ATOM 798 CZ TYR A 53 -4.009 -2.603 -5.428 1.00 2.84 C ATOM 799 OH TYR A 53 -4.950 -3.528 -5.086 1.00 3.44 O ATOM 0 H TYR A 53 -0.311 -0.534 -9.006 1.00 1.78 H new ATOM 0 HA TYR A 53 -1.972 1.396 -7.597 1.00 2.22 H new ATOM 0 HB2 TYR A 53 0.079 -0.663 -6.865 1.00 2.51 H new ATOM 0 HB3 TYR A 53 -0.411 0.555 -5.704 1.00 2.51 H new ATOM 0 HD1 TYR A 53 -1.439 -0.805 -4.083 1.00 3.34 H new ATOM 0 HD2 TYR A 53 -2.678 -1.119 -8.196 1.00 2.41 H new ATOM 0 HE1 TYR A 53 -3.240 -2.383 -3.423 1.00 3.44 H new ATOM 0 HE2 TYR A 53 -4.536 -2.617 -7.518 1.00 2.82 H new ATOM 0 HH TYR A 53 -5.474 -3.769 -5.878 1.00 3.44 H new ATOM 809 N ARG A 54 -0.274 3.203 -8.513 1.00 1.65 N ATOM 810 CA ARG A 54 0.537 4.396 -8.730 1.00 1.32 C ATOM 811 C ARG A 54 0.135 5.471 -7.724 1.00 0.97 C ATOM 812 O ARG A 54 -0.871 6.142 -7.957 1.00 1.01 O ATOM 813 CB ARG A 54 0.213 4.929 -10.138 1.00 1.76 C ATOM 814 CG ARG A 54 0.771 4.053 -11.267 1.00 2.04 C ATOM 815 CD ARG A 54 2.195 4.466 -11.650 1.00 2.28 C ATOM 816 NE ARG A 54 2.201 5.810 -12.249 1.00 2.30 N ATOM 817 CZ ARG A 54 3.297 6.479 -12.639 1.00 3.11 C ATOM 818 NH1 ARG A 54 4.499 5.903 -12.526 1.00 3.70 N ATOM 819 NH2 ARG A 54 3.184 7.715 -13.137 1.00 4.22 N ATOM 0 H ARG A 54 -1.121 3.206 -9.081 1.00 1.65 H new ATOM 0 HA ARG A 54 1.595 4.157 -8.621 1.00 1.32 H new ATOM 0 HB2 ARG A 54 -0.869 5.005 -10.249 1.00 1.76 H new ATOM 0 HB3 ARG A 54 0.616 5.937 -10.238 1.00 1.76 H new ATOM 0 HG2 ARG A 54 0.766 3.009 -10.954 1.00 2.04 H new ATOM 0 HG3 ARG A 54 0.123 4.127 -12.140 1.00 2.04 H new ATOM 0 HD2 ARG A 54 2.833 4.453 -10.767 1.00 2.28 H new ATOM 0 HD3 ARG A 54 2.611 3.746 -12.355 1.00 2.28 H new ATOM 0 HE ARG A 54 1.300 6.270 -12.378 1.00 2.30 H new ATOM 0 HH11 ARG A 54 4.579 4.960 -12.145 1.00 3.70 H new ATOM 0 HH12 ARG A 54 5.336 6.407 -12.821 1.00 3.70 H new ATOM 0 HH21 ARG A 54 2.265 8.149 -13.220 1.00 4.22 H new ATOM 0 HH22 ARG A 54 4.017 8.224 -13.433 1.00 4.22 H new ATOM 833 N GLY A 55 0.873 5.672 -6.624 1.00 0.78 N ATOM 834 CA GLY A 55 0.365 6.603 -5.625 1.00 0.58 C ATOM 835 C GLY A 55 1.373 7.220 -4.677 1.00 0.52 C ATOM 836 O GLY A 55 2.570 7.297 -4.949 1.00 0.54 O ATOM 0 H GLY A 55 1.768 5.230 -6.415 1.00 0.78 H new ATOM 0 HA2 GLY A 55 -0.147 7.412 -6.146 1.00 0.58 H new ATOM 0 HA3 GLY A 55 -0.385 6.083 -5.029 1.00 0.58 H new ATOM 840 N THR A 56 0.839 7.679 -3.547 1.00 0.65 N ATOM 841 CA THR A 56 1.508 8.470 -2.537 1.00 0.72 C ATOM 842 C THR A 56 1.064 7.965 -1.167 1.00 0.70 C ATOM 843 O THR A 56 -0.107 7.641 -0.978 1.00 0.91 O ATOM 844 CB THR A 56 1.139 9.950 -2.730 1.00 0.97 C ATOM 845 OG1 THR A 56 -0.267 10.131 -2.781 1.00 2.26 O ATOM 846 CG2 THR A 56 1.760 10.515 -4.011 1.00 1.50 C ATOM 0 H THR A 56 -0.134 7.492 -3.305 1.00 0.65 H new ATOM 0 HA THR A 56 2.591 8.377 -2.618 1.00 0.72 H new ATOM 0 HB THR A 56 1.537 10.487 -1.869 1.00 0.97 H new ATOM 0 HG1 THR A 56 -0.700 9.274 -2.975 1.00 2.26 H new ATOM 0 HG21 THR A 56 1.481 11.563 -4.119 1.00 1.50 H new ATOM 0 HG22 THR A 56 2.845 10.433 -3.956 1.00 1.50 H new ATOM 0 HG23 THR A 56 1.396 9.952 -4.871 1.00 1.50 H new ATOM 854 N ALA A 57 2.013 7.890 -0.239 1.00 0.69 N ATOM 855 CA ALA A 57 1.856 7.586 1.169 1.00 0.70 C ATOM 856 C ALA A 57 2.343 8.825 1.913 1.00 0.72 C ATOM 857 O ALA A 57 3.483 8.864 2.368 1.00 0.95 O ATOM 858 CB ALA A 57 2.704 6.355 1.505 1.00 0.73 C ATOM 0 H ALA A 57 2.991 8.055 -0.478 1.00 0.69 H new ATOM 0 HA ALA A 57 0.827 7.357 1.446 1.00 0.70 H new ATOM 0 HB1 ALA A 57 2.595 6.115 2.563 1.00 0.73 H new ATOM 0 HB2 ALA A 57 2.370 5.508 0.905 1.00 0.73 H new ATOM 0 HB3 ALA A 57 3.751 6.564 1.287 1.00 0.73 H new ATOM 864 N PHE A 58 1.509 9.863 1.970 1.00 0.64 N ATOM 865 CA PHE A 58 1.894 11.188 2.441 1.00 0.67 C ATOM 866 C PHE A 58 1.632 11.298 3.938 1.00 0.68 C ATOM 867 O PHE A 58 0.638 10.784 4.447 1.00 0.65 O ATOM 868 CB PHE A 58 1.190 12.271 1.614 1.00 0.78 C ATOM 869 CG PHE A 58 -0.293 12.425 1.889 1.00 0.83 C ATOM 870 CD1 PHE A 58 -0.727 13.376 2.831 1.00 1.97 C ATOM 871 CD2 PHE A 58 -1.233 11.601 1.241 1.00 2.11 C ATOM 872 CE1 PHE A 58 -2.088 13.466 3.165 1.00 2.10 C ATOM 873 CE2 PHE A 58 -2.597 11.696 1.572 1.00 2.17 C ATOM 874 CZ PHE A 58 -3.024 12.623 2.540 1.00 1.22 C ATOM 0 H PHE A 58 0.531 9.803 1.685 1.00 0.64 H new ATOM 0 HA PHE A 58 2.963 11.344 2.297 1.00 0.67 H new ATOM 0 HB2 PHE A 58 1.680 13.226 1.802 1.00 0.78 H new ATOM 0 HB3 PHE A 58 1.327 12.045 0.556 1.00 0.78 H new ATOM 0 HD1 PHE A 58 -0.012 14.038 3.298 1.00 1.97 H new ATOM 0 HD2 PHE A 58 -0.907 10.896 0.490 1.00 2.11 H new ATOM 0 HE1 PHE A 58 -2.416 14.183 3.903 1.00 2.10 H new ATOM 0 HE2 PHE A 58 -3.317 11.057 1.083 1.00 2.17 H new ATOM 0 HZ PHE A 58 -4.070 12.687 2.803 1.00 1.22 H new ATOM 884 N GLY A 59 2.554 11.941 4.653 1.00 0.83 N ATOM 885 CA GLY A 59 2.455 12.112 6.087 1.00 1.02 C ATOM 886 C GLY A 59 1.474 13.232 6.398 1.00 1.15 C ATOM 887 O GLY A 59 1.346 14.167 5.615 1.00 1.14 O ATOM 0 H GLY A 59 3.391 12.357 4.245 1.00 0.83 H new ATOM 0 HA2 GLY A 59 2.123 11.184 6.553 1.00 1.02 H new ATOM 0 HA3 GLY A 59 3.434 12.346 6.505 1.00 1.02 H new ATOM 891 N SER A 60 0.888 13.222 7.593 1.00 1.38 N ATOM 892 CA SER A 60 0.394 14.450 8.206 1.00 1.51 C ATOM 893 C SER A 60 1.521 15.497 8.211 1.00 1.31 C ATOM 894 O SER A 60 1.279 16.686 8.027 1.00 1.47 O ATOM 895 CB SER A 60 -0.115 14.134 9.618 1.00 1.75 C ATOM 896 OG SER A 60 -0.779 15.246 10.183 1.00 2.43 O ATOM 0 H SER A 60 0.745 12.381 8.153 1.00 1.38 H new ATOM 0 HA SER A 60 -0.439 14.864 7.638 1.00 1.51 H new ATOM 0 HB2 SER A 60 -0.794 13.282 9.580 1.00 1.75 H new ATOM 0 HB3 SER A 60 0.723 13.846 10.253 1.00 1.75 H new ATOM 0 HG SER A 60 -1.094 15.017 11.082 1.00 2.43 H new ATOM 902 N ASP A 61 2.768 15.031 8.378 1.00 1.12 N ATOM 903 CA ASP A 61 3.964 15.859 8.315 1.00 1.08 C ATOM 904 C ASP A 61 4.395 16.180 6.868 1.00 1.02 C ATOM 905 O ASP A 61 5.337 16.941 6.665 1.00 1.11 O ATOM 906 CB ASP A 61 5.065 15.091 9.060 1.00 1.21 C ATOM 907 CG ASP A 61 6.302 15.932 9.346 1.00 1.47 C ATOM 908 OD1 ASP A 61 6.127 17.013 9.949 1.00 2.25 O ATOM 909 OD2 ASP A 61 7.403 15.435 9.030 1.00 2.39 O ATOM 0 H ASP A 61 2.968 14.048 8.564 1.00 1.12 H new ATOM 0 HA ASP A 61 3.767 16.827 8.775 1.00 1.08 H new ATOM 0 HB2 ASP A 61 4.663 14.717 10.002 1.00 1.21 H new ATOM 0 HB3 ASP A 61 5.354 14.222 8.470 1.00 1.21 H new ATOM 914 N ASP A 62 3.765 15.555 5.857 1.00 0.96 N ATOM 915 CA ASP A 62 4.214 15.527 4.469 1.00 1.16 C ATOM 916 C ASP A 62 5.696 15.189 4.353 1.00 1.16 C ATOM 917 O ASP A 62 6.418 15.677 3.485 1.00 1.33 O ATOM 918 CB ASP A 62 3.753 16.762 3.674 1.00 1.59 C ATOM 919 CG ASP A 62 2.342 16.596 3.124 1.00 2.83 C ATOM 920 OD1 ASP A 62 2.116 15.562 2.454 1.00 2.99 O ATOM 921 OD2 ASP A 62 1.524 17.513 3.347 1.00 4.31 O ATOM 0 H ASP A 62 2.897 15.038 5.999 1.00 0.96 H new ATOM 0 HA ASP A 62 3.709 14.698 3.973 1.00 1.16 H new ATOM 0 HB2 ASP A 62 3.790 17.641 4.317 1.00 1.59 H new ATOM 0 HB3 ASP A 62 4.444 16.941 2.850 1.00 1.59 H new ATOM 926 N ALA A 63 6.106 14.231 5.185 1.00 1.08 N ATOM 927 CA ALA A 63 7.384 13.558 5.088 1.00 1.10 C ATOM 928 C ALA A 63 7.105 12.080 4.834 1.00 0.91 C ATOM 929 O ALA A 63 7.640 11.196 5.499 1.00 0.97 O ATOM 930 CB ALA A 63 8.066 13.772 6.433 1.00 1.34 C ATOM 0 H ALA A 63 5.536 13.899 5.963 1.00 1.08 H new ATOM 0 HA ALA A 63 8.018 13.931 4.284 1.00 1.10 H new ATOM 0 HB1 ALA A 63 9.042 13.286 6.428 1.00 1.34 H new ATOM 0 HB2 ALA A 63 8.193 14.840 6.611 1.00 1.34 H new ATOM 0 HB3 ALA A 63 7.452 13.343 7.225 1.00 1.34 H new ATOM 936 N GLY A 64 6.301 11.826 3.805 1.00 0.81 N ATOM 937 CA GLY A 64 5.893 10.509 3.360 1.00 0.69 C ATOM 938 C GLY A 64 6.210 10.357 1.873 1.00 0.89 C ATOM 939 O GLY A 64 6.450 11.351 1.190 1.00 1.54 O ATOM 0 H GLY A 64 5.901 12.572 3.236 1.00 0.81 H new ATOM 0 HA2 GLY A 64 6.412 9.742 3.934 1.00 0.69 H new ATOM 0 HA3 GLY A 64 4.826 10.369 3.532 1.00 0.69 H new ATOM 943 N GLY A 65 6.270 9.112 1.394 1.00 0.75 N ATOM 944 CA GLY A 65 6.888 8.735 0.139 1.00 0.94 C ATOM 945 C GLY A 65 5.907 8.115 -0.844 1.00 0.56 C ATOM 946 O GLY A 65 4.713 8.013 -0.595 1.00 0.76 O ATOM 0 H GLY A 65 5.873 8.317 1.894 1.00 0.75 H new ATOM 0 HA2 GLY A 65 7.341 9.616 -0.315 1.00 0.94 H new ATOM 0 HA3 GLY A 65 7.693 8.027 0.335 1.00 0.94 H new ATOM 950 N LYS A 66 6.425 7.758 -2.013 1.00 0.64 N ATOM 951 CA LYS A 66 5.662 7.327 -3.171 1.00 0.60 C ATOM 952 C LYS A 66 5.231 5.865 -3.020 1.00 0.60 C ATOM 953 O LYS A 66 6.068 5.025 -2.713 1.00 0.89 O ATOM 954 CB LYS A 66 6.595 7.457 -4.373 1.00 0.82 C ATOM 955 CG LYS A 66 7.085 8.898 -4.565 1.00 1.02 C ATOM 956 CD LYS A 66 8.269 8.957 -5.549 1.00 1.49 C ATOM 957 CE LYS A 66 9.609 8.524 -4.920 1.00 2.06 C ATOM 958 NZ LYS A 66 9.934 7.084 -5.063 1.00 3.33 N ATOM 0 H LYS A 66 7.431 7.762 -2.184 1.00 0.64 H new ATOM 0 HA LYS A 66 4.761 7.930 -3.286 1.00 0.60 H new ATOM 0 HB2 LYS A 66 7.452 6.797 -4.240 1.00 0.82 H new ATOM 0 HB3 LYS A 66 6.076 7.127 -5.273 1.00 0.82 H new ATOM 0 HG2 LYS A 66 6.268 9.516 -4.937 1.00 1.02 H new ATOM 0 HG3 LYS A 66 7.387 9.314 -3.604 1.00 1.02 H new ATOM 0 HD2 LYS A 66 8.054 8.316 -6.404 1.00 1.49 H new ATOM 0 HD3 LYS A 66 8.366 9.974 -5.929 1.00 1.49 H new ATOM 0 HE2 LYS A 66 10.411 9.108 -5.372 1.00 2.06 H new ATOM 0 HE3 LYS A 66 9.592 8.773 -3.859 1.00 2.06 H new ATOM 0 HZ1 LYS A 66 10.166 6.686 -4.131 1.00 3.33 H new ATOM 0 HZ2 LYS A 66 9.115 6.581 -5.460 1.00 3.33 H new ATOM 0 HZ3 LYS A 66 10.749 6.974 -5.699 1.00 3.33 H new ATOM 972 N LEU A 67 3.965 5.547 -3.291 1.00 0.60 N ATOM 973 CA LEU A 67 3.488 4.171 -3.382 1.00 0.61 C ATOM 974 C LEU A 67 3.880 3.630 -4.758 1.00 0.63 C ATOM 975 O LEU A 67 3.337 4.082 -5.770 1.00 0.84 O ATOM 976 CB LEU A 67 1.960 4.138 -3.212 1.00 0.61 C ATOM 977 CG LEU A 67 1.350 2.729 -3.313 1.00 0.69 C ATOM 978 CD1 LEU A 67 1.403 2.012 -1.964 1.00 0.89 C ATOM 979 CD2 LEU A 67 -0.107 2.835 -3.769 1.00 0.86 C ATOM 0 H LEU A 67 3.238 6.244 -3.454 1.00 0.60 H new ATOM 0 HA LEU A 67 3.931 3.558 -2.597 1.00 0.61 H new ATOM 0 HB2 LEU A 67 1.703 4.565 -2.243 1.00 0.61 H new ATOM 0 HB3 LEU A 67 1.506 4.775 -3.972 1.00 0.61 H new ATOM 0 HG LEU A 67 1.929 2.155 -4.036 1.00 0.69 H new ATOM 0 HD11 LEU A 67 0.966 1.018 -2.063 1.00 0.89 H new ATOM 0 HD12 LEU A 67 2.440 1.922 -1.640 1.00 0.89 H new ATOM 0 HD13 LEU A 67 0.841 2.584 -1.226 1.00 0.89 H new ATOM 0 HD21 LEU A 67 -0.539 1.837 -3.841 1.00 0.86 H new ATOM 0 HD22 LEU A 67 -0.672 3.424 -3.047 1.00 0.86 H new ATOM 0 HD23 LEU A 67 -0.149 3.319 -4.745 1.00 0.86 H new ATOM 991 N THR A 68 4.809 2.669 -4.793 1.00 0.68 N ATOM 992 CA THR A 68 5.187 1.990 -6.029 1.00 0.76 C ATOM 993 C THR A 68 4.142 0.926 -6.388 1.00 0.78 C ATOM 994 O THR A 68 3.495 0.378 -5.506 1.00 0.99 O ATOM 995 CB THR A 68 6.598 1.403 -5.881 1.00 1.00 C ATOM 996 OG1 THR A 68 7.463 2.378 -5.328 1.00 1.93 O ATOM 997 CG2 THR A 68 7.159 0.987 -7.244 1.00 1.49 C ATOM 0 H THR A 68 5.315 2.344 -3.969 1.00 0.68 H new ATOM 0 HA THR A 68 5.212 2.701 -6.855 1.00 0.76 H new ATOM 0 HB THR A 68 6.534 0.531 -5.231 1.00 1.00 H new ATOM 0 HG1 THR A 68 7.351 2.400 -4.355 1.00 1.93 H new ATOM 0 HG21 THR A 68 8.159 0.574 -7.115 1.00 1.49 H new ATOM 0 HG22 THR A 68 6.510 0.233 -7.690 1.00 1.49 H new ATOM 0 HG23 THR A 68 7.207 1.857 -7.899 1.00 1.49 H new ATOM 1005 N TYR A 69 3.957 0.634 -7.677 1.00 0.76 N ATOM 1006 CA TYR A 69 2.897 -0.251 -8.143 1.00 0.73 C ATOM 1007 C TYR A 69 3.388 -1.702 -8.230 1.00 0.65 C ATOM 1008 O TYR A 69 4.308 -1.994 -8.996 1.00 0.71 O ATOM 1009 CB TYR A 69 2.326 0.284 -9.462 1.00 0.76 C ATOM 1010 CG TYR A 69 3.303 0.458 -10.609 1.00 0.80 C ATOM 1011 CD1 TYR A 69 3.396 -0.524 -11.612 1.00 1.65 C ATOM 1012 CD2 TYR A 69 4.067 1.636 -10.710 1.00 2.13 C ATOM 1013 CE1 TYR A 69 4.267 -0.339 -12.700 1.00 1.67 C ATOM 1014 CE2 TYR A 69 4.949 1.813 -11.789 1.00 2.27 C ATOM 1015 CZ TYR A 69 5.048 0.827 -12.783 1.00 1.15 C ATOM 1016 OH TYR A 69 5.889 1.022 -13.837 1.00 1.44 O ATOM 0 H TYR A 69 4.541 1.007 -8.425 1.00 0.76 H new ATOM 0 HA TYR A 69 2.081 -0.264 -7.421 1.00 0.73 H new ATOM 0 HB2 TYR A 69 1.535 -0.391 -9.789 1.00 0.76 H new ATOM 0 HB3 TYR A 69 1.859 1.249 -9.264 1.00 0.76 H new ATOM 0 HD1 TYR A 69 2.798 -1.421 -11.546 1.00 1.65 H new ATOM 0 HD2 TYR A 69 3.975 2.405 -9.957 1.00 2.13 H new ATOM 0 HE1 TYR A 69 4.336 -1.092 -13.471 1.00 1.67 H new ATOM 0 HE2 TYR A 69 5.551 2.708 -11.854 1.00 2.27 H new ATOM 0 HH TYR A 69 6.350 1.881 -13.733 1.00 1.44 H new ATOM 1026 N THR A 70 2.850 -2.614 -7.407 1.00 0.62 N ATOM 1027 CA THR A 70 3.369 -3.979 -7.293 1.00 0.69 C ATOM 1028 C THR A 70 2.303 -4.968 -6.793 1.00 0.80 C ATOM 1029 O THR A 70 2.402 -5.446 -5.669 1.00 1.13 O ATOM 1030 CB THR A 70 4.591 -3.968 -6.347 1.00 0.80 C ATOM 1031 OG1 THR A 70 5.545 -3.008 -6.765 1.00 1.14 O ATOM 1032 CG2 THR A 70 5.303 -5.327 -6.312 1.00 0.99 C ATOM 0 H THR A 70 2.048 -2.425 -6.806 1.00 0.62 H new ATOM 0 HA THR A 70 3.665 -4.320 -8.285 1.00 0.69 H new ATOM 0 HB THR A 70 4.203 -3.727 -5.357 1.00 0.80 H new ATOM 0 HG1 THR A 70 6.309 -3.017 -6.151 1.00 1.14 H new ATOM 0 HG21 THR A 70 6.155 -5.274 -5.635 1.00 0.99 H new ATOM 0 HG22 THR A 70 4.610 -6.092 -5.963 1.00 0.99 H new ATOM 0 HG23 THR A 70 5.650 -5.582 -7.313 1.00 0.99 H new ATOM 1040 N ILE A 71 1.293 -5.315 -7.601 1.00 0.70 N ATOM 1041 CA ILE A 71 0.254 -6.247 -7.157 1.00 0.68 C ATOM 1042 C ILE A 71 -0.009 -7.277 -8.264 1.00 0.67 C ATOM 1043 O ILE A 71 -0.344 -6.896 -9.384 1.00 0.90 O ATOM 1044 CB ILE A 71 -0.992 -5.467 -6.679 1.00 0.78 C ATOM 1045 CG1 ILE A 71 -2.006 -5.127 -7.770 1.00 0.98 C ATOM 1046 CG2 ILE A 71 -0.573 -4.121 -6.063 1.00 1.11 C ATOM 1047 CD1 ILE A 71 -3.087 -6.192 -7.933 1.00 1.33 C ATOM 0 H ILE A 71 1.175 -4.969 -8.553 1.00 0.70 H new ATOM 0 HA ILE A 71 0.580 -6.818 -6.288 1.00 0.68 H new ATOM 0 HB ILE A 71 -1.465 -6.144 -5.968 1.00 0.78 H new ATOM 0 HG12 ILE A 71 -2.477 -4.172 -7.536 1.00 0.98 H new ATOM 0 HG13 ILE A 71 -1.483 -5.000 -8.718 1.00 0.98 H new ATOM 0 HG21 ILE A 71 -1.460 -3.581 -5.730 1.00 1.11 H new ATOM 0 HG22 ILE A 71 0.084 -4.299 -5.212 1.00 1.11 H new ATOM 0 HG23 ILE A 71 -0.046 -3.527 -6.810 1.00 1.11 H new ATOM 0 HD11 ILE A 71 -3.776 -5.893 -8.722 1.00 1.33 H new ATOM 0 HD12 ILE A 71 -2.624 -7.143 -8.197 1.00 1.33 H new ATOM 0 HD13 ILE A 71 -3.634 -6.302 -6.996 1.00 1.33 H new ATOM 1059 N ASP A 72 0.140 -8.574 -7.976 1.00 0.64 N ATOM 1060 CA ASP A 72 -0.352 -9.610 -8.876 1.00 0.60 C ATOM 1061 C ASP A 72 -1.866 -9.626 -8.756 1.00 0.62 C ATOM 1062 O ASP A 72 -2.392 -9.759 -7.657 1.00 0.89 O ATOM 1063 CB ASP A 72 0.240 -10.976 -8.542 1.00 0.76 C ATOM 1064 CG ASP A 72 -0.371 -12.075 -9.404 1.00 2.53 C ATOM 1065 OD1 ASP A 72 -1.606 -12.265 -9.295 1.00 3.77 O ATOM 1066 OD2 ASP A 72 0.413 -12.709 -10.139 1.00 3.51 O ATOM 0 H ASP A 72 0.594 -8.925 -7.133 1.00 0.64 H new ATOM 0 HA ASP A 72 -0.048 -9.392 -9.900 1.00 0.60 H new ATOM 0 HB2 ASP A 72 1.319 -10.952 -8.692 1.00 0.76 H new ATOM 0 HB3 ASP A 72 0.069 -11.200 -7.489 1.00 0.76 H new ATOM 1071 N PHE A 73 -2.548 -9.445 -9.876 1.00 0.70 N ATOM 1072 CA PHE A 73 -3.971 -9.231 -10.022 1.00 0.87 C ATOM 1073 C PHE A 73 -4.782 -10.478 -9.704 1.00 1.03 C ATOM 1074 O PHE A 73 -5.954 -10.335 -9.348 1.00 1.37 O ATOM 1075 CB PHE A 73 -4.285 -8.820 -11.455 1.00 1.02 C ATOM 1076 CG PHE A 73 -3.772 -7.480 -11.926 1.00 1.29 C ATOM 1077 CD1 PHE A 73 -2.402 -7.322 -12.182 1.00 2.74 C ATOM 1078 CD2 PHE A 73 -4.681 -6.575 -12.500 1.00 1.59 C ATOM 1079 CE1 PHE A 73 -1.981 -6.487 -13.217 1.00 3.35 C ATOM 1080 CE2 PHE A 73 -4.246 -5.663 -13.471 1.00 1.93 C ATOM 1081 CZ PHE A 73 -2.901 -5.657 -13.877 1.00 2.59 C ATOM 0 H PHE A 73 -2.076 -9.445 -10.780 1.00 0.70 H new ATOM 0 HA PHE A 73 -4.245 -8.448 -9.315 1.00 0.87 H new ATOM 0 HB2 PHE A 73 -3.885 -9.586 -12.120 1.00 1.02 H new ATOM 0 HB3 PHE A 73 -5.368 -8.827 -11.577 1.00 1.02 H new ATOM 0 HD1 PHE A 73 -1.675 -7.846 -11.579 1.00 2.74 H new ATOM 0 HD2 PHE A 73 -5.716 -6.582 -12.192 1.00 1.59 H new ATOM 0 HE1 PHE A 73 -0.942 -6.479 -13.512 1.00 3.35 H new ATOM 0 HE2 PHE A 73 -4.945 -4.965 -13.907 1.00 1.93 H new ATOM 0 HZ PHE A 73 -2.578 -5.021 -14.688 1.00 2.59 H new ATOM 1091 N ALA A 74 -4.200 -11.674 -9.842 1.00 1.02 N ATOM 1092 CA ALA A 74 -4.956 -12.909 -9.699 1.00 1.40 C ATOM 1093 C ALA A 74 -5.530 -12.956 -8.289 1.00 1.40 C ATOM 1094 O ALA A 74 -6.692 -13.300 -8.075 1.00 1.78 O ATOM 1095 CB ALA A 74 -4.035 -14.110 -9.948 1.00 1.61 C ATOM 0 H ALA A 74 -3.211 -11.806 -10.052 1.00 1.02 H new ATOM 0 HA ALA A 74 -5.768 -12.947 -10.425 1.00 1.40 H new ATOM 0 HB1 ALA A 74 -4.604 -15.033 -9.840 1.00 1.61 H new ATOM 0 HB2 ALA A 74 -3.626 -14.052 -10.957 1.00 1.61 H new ATOM 0 HB3 ALA A 74 -3.220 -14.100 -9.224 1.00 1.61 H new ATOM 1101 N ALA A 75 -4.684 -12.562 -7.336 1.00 1.10 N ATOM 1102 CA ALA A 75 -4.959 -12.701 -5.905 1.00 1.01 C ATOM 1103 C ALA A 75 -4.764 -11.401 -5.124 1.00 0.86 C ATOM 1104 O ALA A 75 -5.300 -11.282 -4.025 1.00 1.06 O ATOM 1105 CB ALA A 75 -4.119 -13.850 -5.341 1.00 1.16 C ATOM 0 H ALA A 75 -3.781 -12.134 -7.537 1.00 1.10 H new ATOM 0 HA ALA A 75 -6.016 -12.939 -5.785 1.00 1.01 H new ATOM 0 HB1 ALA A 75 -4.320 -13.958 -4.275 1.00 1.16 H new ATOM 0 HB2 ALA A 75 -4.377 -14.776 -5.855 1.00 1.16 H new ATOM 0 HB3 ALA A 75 -3.061 -13.635 -5.491 1.00 1.16 H new ATOM 1111 N LYS A 76 -4.033 -10.437 -5.696 1.00 0.70 N ATOM 1112 CA LYS A 76 -3.919 -9.048 -5.270 1.00 0.67 C ATOM 1113 C LYS A 76 -3.008 -8.876 -4.074 1.00 0.74 C ATOM 1114 O LYS A 76 -3.455 -8.591 -2.967 1.00 0.98 O ATOM 1115 CB LYS A 76 -5.281 -8.417 -5.112 1.00 0.78 C ATOM 1116 CG LYS A 76 -6.077 -8.649 -6.399 1.00 2.09 C ATOM 1117 CD LYS A 76 -6.592 -7.321 -6.939 1.00 2.54 C ATOM 1118 CE LYS A 76 -7.207 -7.486 -8.334 1.00 3.96 C ATOM 1119 NZ LYS A 76 -7.931 -8.763 -8.490 1.00 5.24 N ATOM 0 H LYS A 76 -3.469 -10.626 -6.525 1.00 0.70 H new ATOM 0 HA LYS A 76 -3.420 -8.493 -6.064 1.00 0.67 H new ATOM 0 HB2 LYS A 76 -5.803 -8.852 -4.260 1.00 0.78 H new ATOM 0 HB3 LYS A 76 -5.183 -7.350 -4.915 1.00 0.78 H new ATOM 0 HG2 LYS A 76 -5.446 -9.134 -7.144 1.00 2.09 H new ATOM 0 HG3 LYS A 76 -6.913 -9.320 -6.203 1.00 2.09 H new ATOM 0 HD2 LYS A 76 -7.338 -6.914 -6.257 1.00 2.54 H new ATOM 0 HD3 LYS A 76 -5.774 -6.602 -6.983 1.00 2.54 H new ATOM 0 HE2 LYS A 76 -7.891 -6.659 -8.525 1.00 3.96 H new ATOM 0 HE3 LYS A 76 -6.418 -7.426 -9.084 1.00 3.96 H new ATOM 0 HZ1 LYS A 76 -8.506 -8.733 -9.356 1.00 5.24 H new ATOM 0 HZ2 LYS A 76 -7.247 -9.544 -8.556 1.00 5.24 H new ATOM 0 HZ3 LYS A 76 -8.551 -8.913 -7.668 1.00 5.24 H new ATOM 1133 N GLN A 77 -1.705 -8.962 -4.345 1.00 0.73 N ATOM 1134 CA GLN A 77 -0.663 -8.779 -3.348 1.00 0.83 C ATOM 1135 C GLN A 77 -0.495 -7.275 -3.174 1.00 0.87 C ATOM 1136 O GLN A 77 0.530 -6.714 -3.547 1.00 1.63 O ATOM 1137 CB GLN A 77 0.666 -9.448 -3.751 1.00 1.24 C ATOM 1138 CG GLN A 77 0.584 -10.863 -4.335 1.00 1.13 C ATOM 1139 CD GLN A 77 -0.568 -11.695 -3.794 1.00 1.13 C ATOM 1140 OE1 GLN A 77 -1.658 -11.769 -4.553 1.00 1.98 O flip ATOM 1141 NE2 GLN A 77 -0.485 -12.258 -2.710 1.00 1.10 N flip ATOM 0 H GLN A 77 -1.344 -9.164 -5.278 1.00 0.73 H new ATOM 0 HA GLN A 77 -0.950 -9.259 -2.412 1.00 0.83 H new ATOM 0 HB2 GLN A 77 1.159 -8.808 -4.482 1.00 1.24 H new ATOM 0 HB3 GLN A 77 1.309 -9.481 -2.871 1.00 1.24 H new ATOM 0 HG2 GLN A 77 0.488 -10.792 -5.418 1.00 1.13 H new ATOM 0 HG3 GLN A 77 1.520 -11.383 -4.131 1.00 1.13 H new ATOM 0 HE21 GLN A 77 0.368 -12.177 -2.157 1.00 1.10 H new ATOM 0 HE22 GLN A 77 -1.269 -12.808 -2.360 1.00 1.10 H new ATOM 1150 N GLY A 78 -1.558 -6.612 -2.726 1.00 1.05 N ATOM 1151 CA GLY A 78 -1.755 -5.192 -2.927 1.00 1.35 C ATOM 1152 C GLY A 78 -0.829 -4.347 -2.063 1.00 1.15 C ATOM 1153 O GLY A 78 -1.246 -3.730 -1.085 1.00 1.29 O ATOM 0 H GLY A 78 -2.314 -7.059 -2.207 1.00 1.05 H new ATOM 0 HA2 GLY A 78 -1.588 -4.950 -3.977 1.00 1.35 H new ATOM 0 HA3 GLY A 78 -2.790 -4.937 -2.702 1.00 1.35 H new ATOM 1157 N ASN A 79 0.446 -4.325 -2.435 1.00 1.00 N ATOM 1158 CA ASN A 79 1.516 -3.714 -1.687 1.00 0.90 C ATOM 1159 C ASN A 79 2.369 -2.920 -2.655 1.00 1.03 C ATOM 1160 O ASN A 79 2.408 -3.209 -3.847 1.00 1.64 O ATOM 1161 CB ASN A 79 2.263 -4.793 -0.899 1.00 0.96 C ATOM 1162 CG ASN A 79 1.655 -4.875 0.500 1.00 1.40 C ATOM 1163 OD1 ASN A 79 2.029 -4.128 1.398 1.00 3.00 O ATOM 1164 ND2 ASN A 79 0.662 -5.737 0.681 1.00 1.17 N ATOM 0 H ASN A 79 0.766 -4.753 -3.304 1.00 1.00 H new ATOM 0 HA ASN A 79 1.156 -3.009 -0.937 1.00 0.90 H new ATOM 0 HB2 ASN A 79 2.183 -5.755 -1.404 1.00 0.96 H new ATOM 0 HB3 ASN A 79 3.324 -4.552 -0.838 1.00 0.96 H new ATOM 0 HD21 ASN A 79 0.190 -5.789 1.584 1.00 1.17 H new ATOM 0 HD22 ASN A 79 0.371 -6.347 -0.083 1.00 1.17 H new ATOM 1171 N GLY A 80 2.972 -1.850 -2.150 1.00 0.78 N ATOM 1172 CA GLY A 80 3.684 -0.895 -2.970 1.00 0.91 C ATOM 1173 C GLY A 80 4.723 -0.161 -2.150 1.00 0.85 C ATOM 1174 O GLY A 80 4.360 0.587 -1.247 1.00 1.05 O ATOM 0 H GLY A 80 2.977 -1.625 -1.155 1.00 0.78 H new ATOM 0 HA2 GLY A 80 4.166 -1.409 -3.802 1.00 0.91 H new ATOM 0 HA3 GLY A 80 2.981 -0.181 -3.400 1.00 0.91 H new ATOM 1178 N LYS A 81 6.011 -0.392 -2.416 1.00 0.84 N ATOM 1179 CA LYS A 81 7.018 0.078 -1.484 1.00 0.85 C ATOM 1180 C LYS A 81 7.291 1.573 -1.620 1.00 0.80 C ATOM 1181 O LYS A 81 6.915 2.185 -2.625 1.00 1.08 O ATOM 1182 CB LYS A 81 8.284 -0.774 -1.521 1.00 1.02 C ATOM 1183 CG LYS A 81 9.311 -0.547 -2.644 1.00 1.11 C ATOM 1184 CD LYS A 81 10.648 -0.857 -1.960 1.00 2.07 C ATOM 1185 CE LYS A 81 11.910 -0.945 -2.815 1.00 2.78 C ATOM 1186 NZ LYS A 81 13.087 -1.092 -1.930 1.00 3.93 N ATOM 0 H LYS A 81 6.364 -0.883 -3.238 1.00 0.84 H new ATOM 0 HA LYS A 81 6.603 -0.051 -0.484 1.00 0.85 H new ATOM 0 HB2 LYS A 81 8.801 -0.635 -0.571 1.00 1.02 H new ATOM 0 HB3 LYS A 81 7.975 -1.818 -1.566 1.00 1.02 H new ATOM 0 HG2 LYS A 81 9.131 -1.205 -3.494 1.00 1.11 H new ATOM 0 HG3 LYS A 81 9.278 0.476 -3.020 1.00 1.11 H new ATOM 0 HD2 LYS A 81 10.816 -0.092 -1.202 1.00 2.07 H new ATOM 0 HD3 LYS A 81 10.538 -1.806 -1.436 1.00 2.07 H new ATOM 0 HE2 LYS A 81 11.844 -1.793 -3.496 1.00 2.78 H new ATOM 0 HE3 LYS A 81 12.011 -0.050 -3.429 1.00 2.78 H new ATOM 0 HZ1 LYS A 81 13.901 -1.420 -2.487 1.00 3.93 H new ATOM 0 HZ2 LYS A 81 13.312 -0.174 -1.496 1.00 3.93 H new ATOM 0 HZ3 LYS A 81 12.876 -1.785 -1.184 1.00 3.93 H new ATOM 1200 N ILE A 82 7.916 2.132 -0.578 1.00 0.73 N ATOM 1201 CA ILE A 82 7.958 3.566 -0.310 1.00 0.82 C ATOM 1202 C ILE A 82 9.412 3.994 -0.092 1.00 0.75 C ATOM 1203 O ILE A 82 9.902 4.037 1.039 1.00 1.04 O ATOM 1204 CB ILE A 82 7.047 3.891 0.891 1.00 0.98 C ATOM 1205 CG1 ILE A 82 5.595 3.420 0.662 1.00 1.67 C ATOM 1206 CG2 ILE A 82 7.052 5.393 1.199 1.00 1.52 C ATOM 1207 CD1 ILE A 82 4.751 3.452 1.941 1.00 2.09 C ATOM 0 H ILE A 82 8.419 1.581 0.118 1.00 0.73 H new ATOM 0 HA ILE A 82 7.578 4.133 -1.160 1.00 0.82 H new ATOM 0 HB ILE A 82 7.454 3.347 1.743 1.00 0.98 H new ATOM 0 HG12 ILE A 82 5.127 4.053 -0.092 1.00 1.67 H new ATOM 0 HG13 ILE A 82 5.606 2.405 0.265 1.00 1.67 H new ATOM 0 HG21 ILE A 82 6.401 5.592 2.050 1.00 1.52 H new ATOM 0 HG22 ILE A 82 8.067 5.712 1.436 1.00 1.52 H new ATOM 0 HG23 ILE A 82 6.692 5.944 0.330 1.00 1.52 H new ATOM 0 HD11 ILE A 82 3.740 3.110 1.718 1.00 2.09 H new ATOM 0 HD12 ILE A 82 5.199 2.798 2.689 1.00 2.09 H new ATOM 0 HD13 ILE A 82 4.713 4.471 2.327 1.00 2.09 H new ATOM 1219 N GLU A 83 10.088 4.319 -1.200 1.00 0.69 N ATOM 1220 CA GLU A 83 11.511 4.596 -1.255 1.00 0.71 C ATOM 1221 C GLU A 83 11.783 5.944 -1.938 1.00 0.97 C ATOM 1222 O GLU A 83 11.529 6.096 -3.138 1.00 1.58 O ATOM 1223 CB GLU A 83 12.191 3.438 -1.990 1.00 0.88 C ATOM 1224 CG GLU A 83 13.700 3.466 -1.758 1.00 0.95 C ATOM 1225 CD GLU A 83 14.343 2.240 -2.383 1.00 1.40 C ATOM 1226 OE1 GLU A 83 14.254 1.170 -1.743 1.00 2.50 O ATOM 1227 OE2 GLU A 83 14.845 2.369 -3.518 1.00 2.19 O ATOM 0 H GLU A 83 9.635 4.397 -2.110 1.00 0.69 H new ATOM 0 HA GLU A 83 11.919 4.675 -0.247 1.00 0.71 H new ATOM 0 HB2 GLU A 83 11.782 2.489 -1.643 1.00 0.88 H new ATOM 0 HB3 GLU A 83 11.980 3.504 -3.057 1.00 0.88 H new ATOM 0 HG2 GLU A 83 14.126 4.371 -2.191 1.00 0.95 H new ATOM 0 HG3 GLU A 83 13.912 3.493 -0.689 1.00 0.95 H new ATOM 1234 N HIS A 84 12.231 6.935 -1.161 1.00 0.79 N ATOM 1235 CA HIS A 84 13.054 8.062 -1.625 1.00 0.87 C ATOM 1236 C HIS A 84 13.814 8.841 -0.528 1.00 1.02 C ATOM 1237 O HIS A 84 14.520 9.793 -0.858 1.00 1.72 O ATOM 1238 CB HIS A 84 12.240 9.055 -2.460 1.00 1.27 C ATOM 1239 CG HIS A 84 11.304 9.892 -1.630 1.00 1.84 C ATOM 1240 ND1 HIS A 84 11.634 11.076 -1.011 1.00 3.30 N ATOM 1241 CD2 HIS A 84 10.022 9.573 -1.274 1.00 2.26 C ATOM 1242 CE1 HIS A 84 10.559 11.476 -0.311 1.00 4.48 C ATOM 1243 NE2 HIS A 84 9.559 10.591 -0.441 1.00 3.91 N ATOM 0 H HIS A 84 12.026 6.979 -0.163 1.00 0.79 H new ATOM 0 HA HIS A 84 13.814 7.572 -2.234 1.00 0.87 H new ATOM 0 HB2 HIS A 84 12.922 9.711 -3.001 1.00 1.27 H new ATOM 0 HB3 HIS A 84 11.664 8.508 -3.206 1.00 1.27 H new ATOM 0 HD1 HIS A 84 12.529 11.561 -1.072 1.00 3.30 H new ATOM 0 HD2 HIS A 84 9.471 8.696 -1.581 1.00 2.26 H new ATOM 0 HE1 HIS A 84 10.507 12.382 0.274 1.00 4.48 H new ATOM 1251 N LEU A 85 13.559 8.603 0.762 1.00 0.70 N ATOM 1252 CA LEU A 85 13.854 9.558 1.813 1.00 0.81 C ATOM 1253 C LEU A 85 15.337 9.498 2.167 1.00 1.05 C ATOM 1254 O LEU A 85 16.012 8.513 1.872 1.00 1.34 O ATOM 1255 CB LEU A 85 12.959 9.291 3.038 1.00 0.87 C ATOM 1256 CG LEU A 85 11.462 9.486 2.753 1.00 0.96 C ATOM 1257 CD1 LEU A 85 10.788 8.278 2.081 1.00 1.49 C ATOM 1258 CD2 LEU A 85 10.677 9.786 4.033 1.00 1.34 C ATOM 0 H LEU A 85 13.140 7.736 1.099 1.00 0.70 H new ATOM 0 HA LEU A 85 13.637 10.567 1.462 1.00 0.81 H new ATOM 0 HB2 LEU A 85 13.126 8.271 3.385 1.00 0.87 H new ATOM 0 HB3 LEU A 85 13.257 9.956 3.848 1.00 0.87 H new ATOM 0 HG LEU A 85 11.434 10.330 2.064 1.00 0.96 H new ATOM 0 HD11 LEU A 85 9.733 8.496 1.914 1.00 1.49 H new ATOM 0 HD12 LEU A 85 11.272 8.076 1.126 1.00 1.49 H new ATOM 0 HD13 LEU A 85 10.880 7.404 2.726 1.00 1.49 H new ATOM 0 HD21 LEU A 85 9.622 9.918 3.791 1.00 1.34 H new ATOM 0 HD22 LEU A 85 10.788 8.956 4.731 1.00 1.34 H new ATOM 0 HD23 LEU A 85 11.061 10.698 4.490 1.00 1.34 H new ATOM 1270 N LYS A 86 15.845 10.536 2.839 1.00 1.29 N ATOM 1271 CA LYS A 86 17.257 10.625 3.179 1.00 1.72 C ATOM 1272 C LYS A 86 17.704 9.496 4.115 1.00 1.64 C ATOM 1273 O LYS A 86 18.891 9.196 4.202 1.00 2.12 O ATOM 1274 CB LYS A 86 17.598 12.020 3.731 1.00 2.20 C ATOM 1275 CG LYS A 86 16.637 12.634 4.765 1.00 2.04 C ATOM 1276 CD LYS A 86 16.399 11.756 6.002 1.00 2.72 C ATOM 1277 CE LYS A 86 16.174 12.580 7.280 1.00 3.29 C ATOM 1278 NZ LYS A 86 15.987 11.712 8.463 1.00 4.35 N ATOM 0 H LYS A 86 15.289 11.329 3.158 1.00 1.29 H new ATOM 0 HA LYS A 86 17.828 10.489 2.260 1.00 1.72 H new ATOM 0 HB2 LYS A 86 18.589 11.969 4.182 1.00 2.20 H new ATOM 0 HB3 LYS A 86 17.667 12.707 2.888 1.00 2.20 H new ATOM 0 HG2 LYS A 86 17.035 13.596 5.087 1.00 2.04 H new ATOM 0 HG3 LYS A 86 15.679 12.830 4.283 1.00 2.04 H new ATOM 0 HD2 LYS A 86 15.532 11.118 5.828 1.00 2.72 H new ATOM 0 HD3 LYS A 86 17.256 11.097 6.145 1.00 2.72 H new ATOM 0 HE2 LYS A 86 17.027 13.239 7.443 1.00 3.29 H new ATOM 0 HE3 LYS A 86 15.298 13.217 7.153 1.00 3.29 H new ATOM 0 HZ1 LYS A 86 16.335 12.202 9.312 1.00 4.35 H new ATOM 0 HZ2 LYS A 86 14.976 11.496 8.579 1.00 4.35 H new ATOM 0 HZ3 LYS A 86 16.518 10.827 8.332 1.00 4.35 H new ATOM 1292 N SER A 87 16.757 8.919 4.858 1.00 1.23 N ATOM 1293 CA SER A 87 17.044 8.041 5.978 1.00 1.32 C ATOM 1294 C SER A 87 16.989 6.566 5.555 1.00 1.29 C ATOM 1295 O SER A 87 15.893 6.049 5.300 1.00 1.39 O ATOM 1296 CB SER A 87 16.053 8.337 7.113 1.00 1.56 C ATOM 1297 OG SER A 87 16.620 9.226 8.055 1.00 1.82 O ATOM 0 H SER A 87 15.760 9.054 4.691 1.00 1.23 H new ATOM 0 HA SER A 87 18.057 8.229 6.333 1.00 1.32 H new ATOM 0 HB2 SER A 87 15.141 8.769 6.702 1.00 1.56 H new ATOM 0 HB3 SER A 87 15.771 7.407 7.607 1.00 1.56 H new ATOM 0 HG SER A 87 16.543 8.843 8.954 1.00 1.82 H new ATOM 1303 N PRO A 88 18.118 5.836 5.505 1.00 1.33 N ATOM 1304 CA PRO A 88 18.066 4.391 5.374 1.00 1.57 C ATOM 1305 C PRO A 88 17.236 3.751 6.492 1.00 1.74 C ATOM 1306 O PRO A 88 16.614 2.729 6.242 1.00 2.37 O ATOM 1307 CB PRO A 88 19.514 3.903 5.369 1.00 1.67 C ATOM 1308 CG PRO A 88 20.281 5.024 6.065 1.00 1.55 C ATOM 1309 CD PRO A 88 19.501 6.275 5.663 1.00 1.36 C ATOM 0 HA PRO A 88 17.566 4.099 4.450 1.00 1.57 H new ATOM 0 HB2 PRO A 88 19.619 2.957 5.901 1.00 1.67 H new ATOM 0 HB3 PRO A 88 19.877 3.740 4.354 1.00 1.67 H new ATOM 0 HG2 PRO A 88 20.299 4.890 7.147 1.00 1.55 H new ATOM 0 HG3 PRO A 88 21.318 5.071 5.732 1.00 1.55 H new ATOM 0 HD2 PRO A 88 19.582 7.050 6.425 1.00 1.36 H new ATOM 0 HD3 PRO A 88 19.887 6.698 4.736 1.00 1.36 H new ATOM 1317 N GLU A 89 17.162 4.346 7.689 1.00 1.49 N ATOM 1318 CA GLU A 89 16.349 3.825 8.797 1.00 1.72 C ATOM 1319 C GLU A 89 14.839 4.063 8.613 1.00 1.74 C ATOM 1320 O GLU A 89 14.062 3.829 9.546 1.00 2.48 O ATOM 1321 CB GLU A 89 16.816 4.338 10.184 1.00 1.86 C ATOM 1322 CG GLU A 89 17.959 5.361 10.233 1.00 2.16 C ATOM 1323 CD GLU A 89 17.592 6.665 9.548 1.00 2.39 C ATOM 1324 OE1 GLU A 89 18.084 6.820 8.413 1.00 3.03 O ATOM 1325 OE2 GLU A 89 16.775 7.462 10.072 1.00 3.41 O ATOM 0 H GLU A 89 17.665 5.204 7.918 1.00 1.49 H new ATOM 0 HA GLU A 89 16.511 2.747 8.770 1.00 1.72 H new ATOM 0 HB2 GLU A 89 15.953 4.779 10.683 1.00 1.86 H new ATOM 0 HB3 GLU A 89 17.118 3.473 10.774 1.00 1.86 H new ATOM 0 HG2 GLU A 89 18.222 5.560 11.272 1.00 2.16 H new ATOM 0 HG3 GLU A 89 18.843 4.938 9.756 1.00 2.16 H new ATOM 1332 N LEU A 90 14.418 4.585 7.454 1.00 1.38 N ATOM 1333 CA LEU A 90 13.079 5.093 7.259 1.00 1.39 C ATOM 1334 C LEU A 90 12.424 4.503 6.019 1.00 1.30 C ATOM 1335 O LEU A 90 11.317 3.994 6.141 1.00 1.90 O ATOM 1336 CB LEU A 90 13.182 6.612 7.218 1.00 1.45 C ATOM 1337 CG LEU A 90 11.909 7.352 6.832 1.00 1.56 C ATOM 1338 CD1 LEU A 90 10.729 7.047 7.754 1.00 1.94 C ATOM 1339 CD2 LEU A 90 12.245 8.842 6.911 1.00 2.64 C ATOM 0 H LEU A 90 15.011 4.661 6.627 1.00 1.38 H new ATOM 0 HA LEU A 90 12.426 4.794 8.079 1.00 1.39 H new ATOM 0 HB2 LEU A 90 13.500 6.962 8.200 1.00 1.45 H new ATOM 0 HB3 LEU A 90 13.967 6.885 6.513 1.00 1.45 H new ATOM 0 HG LEU A 90 11.598 7.036 5.836 1.00 1.56 H new ATOM 0 HD11 LEU A 90 9.854 7.607 7.423 1.00 1.94 H new ATOM 0 HD12 LEU A 90 10.510 5.980 7.724 1.00 1.94 H new ATOM 0 HD13 LEU A 90 10.980 7.337 8.774 1.00 1.94 H new ATOM 0 HD21 LEU A 90 11.366 9.428 6.643 1.00 2.64 H new ATOM 0 HD22 LEU A 90 12.553 9.092 7.926 1.00 2.64 H new ATOM 0 HD23 LEU A 90 13.057 9.069 6.220 1.00 2.64 H new ATOM 1351 N ASN A 91 13.071 4.599 4.848 1.00 0.82 N ATOM 1352 CA ASN A 91 12.531 4.122 3.574 1.00 0.80 C ATOM 1353 C ASN A 91 11.798 2.793 3.757 1.00 0.70 C ATOM 1354 O ASN A 91 12.400 1.809 4.183 1.00 0.98 O ATOM 1355 CB ASN A 91 13.654 3.993 2.542 1.00 0.91 C ATOM 1356 CG ASN A 91 14.086 5.361 2.033 1.00 1.15 C ATOM 1357 OD1 ASN A 91 13.480 5.899 1.111 1.00 2.17 O ATOM 1358 ND2 ASN A 91 15.101 5.970 2.638 1.00 0.89 N ATOM 0 H ASN A 91 13.997 5.017 4.762 1.00 0.82 H new ATOM 0 HA ASN A 91 11.808 4.850 3.207 1.00 0.80 H new ATOM 0 HB2 ASN A 91 14.506 3.481 2.989 1.00 0.91 H new ATOM 0 HB3 ASN A 91 13.316 3.380 1.706 1.00 0.91 H new ATOM 0 HD21 ASN A 91 15.389 6.901 2.338 1.00 0.89 H new ATOM 0 HD22 ASN A 91 15.592 5.506 3.402 1.00 0.89 H new ATOM 1365 N VAL A 92 10.484 2.801 3.522 1.00 0.63 N ATOM 1366 CA VAL A 92 9.611 1.733 3.978 1.00 0.61 C ATOM 1367 C VAL A 92 9.428 0.722 2.856 1.00 0.54 C ATOM 1368 O VAL A 92 8.831 1.044 1.827 1.00 0.71 O ATOM 1369 CB VAL A 92 8.265 2.267 4.508 1.00 0.69 C ATOM 1370 CG1 VAL A 92 7.387 1.128 5.042 1.00 0.99 C ATOM 1371 CG2 VAL A 92 8.464 3.279 5.636 1.00 1.20 C ATOM 0 H VAL A 92 10.005 3.544 3.014 1.00 0.63 H new ATOM 0 HA VAL A 92 10.081 1.234 4.825 1.00 0.61 H new ATOM 0 HB VAL A 92 7.775 2.752 3.664 1.00 0.69 H new ATOM 0 HG11 VAL A 92 6.445 1.536 5.409 1.00 0.99 H new ATOM 0 HG12 VAL A 92 7.187 0.417 4.241 1.00 0.99 H new ATOM 0 HG13 VAL A 92 7.904 0.621 5.857 1.00 0.99 H new ATOM 0 HG21 VAL A 92 7.493 3.632 5.983 1.00 1.20 H new ATOM 0 HG22 VAL A 92 8.994 2.804 6.462 1.00 1.20 H new ATOM 0 HG23 VAL A 92 9.047 4.123 5.269 1.00 1.20 H new ATOM 1381 N ASP A 93 9.884 -0.510 3.084 1.00 0.51 N ATOM 1382 CA ASP A 93 9.563 -1.632 2.226 1.00 0.62 C ATOM 1383 C ASP A 93 8.492 -2.420 2.977 1.00 0.81 C ATOM 1384 O ASP A 93 8.627 -2.653 4.176 1.00 1.13 O ATOM 1385 CB ASP A 93 10.811 -2.492 1.940 1.00 0.79 C ATOM 1386 CG ASP A 93 11.768 -1.899 0.909 1.00 2.00 C ATOM 1387 OD1 ASP A 93 12.279 -2.672 0.066 1.00 2.28 O ATOM 1388 OD2 ASP A 93 11.971 -0.670 0.895 1.00 3.44 O ATOM 0 H ASP A 93 10.486 -0.750 3.872 1.00 0.51 H new ATOM 0 HA ASP A 93 9.205 -1.307 1.249 1.00 0.62 H new ATOM 0 HB2 ASP A 93 11.353 -2.645 2.874 1.00 0.79 H new ATOM 0 HB3 ASP A 93 10.488 -3.474 1.594 1.00 0.79 H new ATOM 1393 N LEU A 94 7.404 -2.794 2.305 1.00 0.75 N ATOM 1394 CA LEU A 94 6.337 -3.588 2.903 1.00 1.05 C ATOM 1395 C LEU A 94 6.170 -4.917 2.174 1.00 0.89 C ATOM 1396 O LEU A 94 6.674 -5.092 1.065 1.00 0.97 O ATOM 1397 CB LEU A 94 5.036 -2.789 3.059 1.00 1.48 C ATOM 1398 CG LEU A 94 4.607 -1.785 1.998 1.00 1.06 C ATOM 1399 CD1 LEU A 94 5.211 -0.384 2.107 1.00 2.33 C ATOM 1400 CD2 LEU A 94 4.774 -2.360 0.610 1.00 3.21 C ATOM 0 H LEU A 94 7.239 -2.553 1.328 1.00 0.75 H new ATOM 0 HA LEU A 94 6.629 -3.839 3.923 1.00 1.05 H new ATOM 0 HB2 LEU A 94 4.227 -3.512 3.162 1.00 1.48 H new ATOM 0 HB3 LEU A 94 5.103 -2.248 4.003 1.00 1.48 H new ATOM 0 HG LEU A 94 3.549 -1.618 2.200 1.00 1.06 H new ATOM 0 HD11 LEU A 94 4.831 0.240 1.298 1.00 2.33 H new ATOM 0 HD12 LEU A 94 4.936 0.057 3.065 1.00 2.33 H new ATOM 0 HD13 LEU A 94 6.297 -0.449 2.036 1.00 2.33 H new ATOM 0 HD21 LEU A 94 4.461 -1.623 -0.129 1.00 3.21 H new ATOM 0 HD22 LEU A 94 5.821 -2.616 0.446 1.00 3.21 H new ATOM 0 HD23 LEU A 94 4.161 -3.256 0.511 1.00 3.21 H new ATOM 1412 N ALA A 95 5.528 -5.875 2.847 1.00 0.96 N ATOM 1413 CA ALA A 95 5.532 -7.270 2.432 1.00 1.11 C ATOM 1414 C ALA A 95 4.526 -7.504 1.308 1.00 1.22 C ATOM 1415 O ALA A 95 3.749 -6.622 0.966 1.00 1.56 O ATOM 1416 CB ALA A 95 5.215 -8.147 3.648 1.00 1.32 C ATOM 0 H ALA A 95 4.991 -5.699 3.696 1.00 0.96 H new ATOM 0 HA ALA A 95 6.516 -7.534 2.044 1.00 1.11 H new ATOM 0 HB1 ALA A 95 5.215 -9.196 3.350 1.00 1.32 H new ATOM 0 HB2 ALA A 95 5.970 -7.988 4.418 1.00 1.32 H new ATOM 0 HB3 ALA A 95 4.234 -7.882 4.042 1.00 1.32 H new ATOM 1422 N ALA A 96 4.495 -8.722 0.766 1.00 1.10 N ATOM 1423 CA ALA A 96 3.363 -9.177 -0.022 1.00 1.00 C ATOM 1424 C ALA A 96 2.267 -9.581 0.965 1.00 0.77 C ATOM 1425 O ALA A 96 2.525 -10.366 1.876 1.00 1.12 O ATOM 1426 CB ALA A 96 3.784 -10.360 -0.898 1.00 1.18 C ATOM 0 H ALA A 96 5.244 -9.407 0.862 1.00 1.10 H new ATOM 0 HA ALA A 96 2.998 -8.395 -0.688 1.00 1.00 H new ATOM 0 HB1 ALA A 96 2.932 -10.698 -1.487 1.00 1.18 H new ATOM 0 HB2 ALA A 96 4.587 -10.050 -1.566 1.00 1.18 H new ATOM 0 HB3 ALA A 96 4.133 -11.175 -0.265 1.00 1.18 H new ATOM 1432 N ALA A 97 1.064 -9.032 0.803 1.00 0.65 N ATOM 1433 CA ALA A 97 -0.102 -9.342 1.615 1.00 0.58 C ATOM 1434 C ALA A 97 -1.329 -9.064 0.757 1.00 0.81 C ATOM 1435 O ALA A 97 -1.263 -8.208 -0.130 1.00 1.20 O ATOM 1436 CB ALA A 97 -0.121 -8.504 2.898 1.00 0.84 C ATOM 0 H ALA A 97 0.873 -8.339 0.080 1.00 0.65 H new ATOM 0 HA ALA A 97 -0.084 -10.385 1.930 1.00 0.58 H new ATOM 0 HB1 ALA A 97 -1.004 -8.757 3.485 1.00 0.84 H new ATOM 0 HB2 ALA A 97 0.775 -8.713 3.482 1.00 0.84 H new ATOM 0 HB3 ALA A 97 -0.148 -7.445 2.641 1.00 0.84 H new ATOM 1442 N ASP A 98 -2.401 -9.820 0.989 1.00 0.96 N ATOM 1443 CA ASP A 98 -3.578 -9.888 0.145 1.00 1.27 C ATOM 1444 C ASP A 98 -4.644 -8.870 0.554 1.00 1.53 C ATOM 1445 O ASP A 98 -4.529 -8.198 1.579 1.00 1.84 O ATOM 1446 CB ASP A 98 -4.166 -11.297 0.266 1.00 1.56 C ATOM 1447 CG ASP A 98 -4.658 -11.534 1.686 1.00 2.79 C ATOM 1448 OD1 ASP A 98 -3.767 -11.591 2.564 1.00 3.36 O ATOM 1449 OD2 ASP A 98 -5.892 -11.591 1.864 1.00 4.03 O ATOM 0 H ASP A 98 -2.469 -10.425 1.807 1.00 0.96 H new ATOM 0 HA ASP A 98 -3.281 -9.659 -0.879 1.00 1.27 H new ATOM 0 HB2 ASP A 98 -4.989 -11.418 -0.438 1.00 1.56 H new ATOM 0 HB3 ASP A 98 -3.411 -12.039 0.005 1.00 1.56 H new ATOM 1454 N ILE A 99 -5.708 -8.809 -0.249 1.00 1.55 N ATOM 1455 CA ILE A 99 -6.994 -8.232 0.090 1.00 1.63 C ATOM 1456 C ILE A 99 -7.966 -9.409 0.205 1.00 1.65 C ATOM 1457 O ILE A 99 -8.123 -10.177 -0.744 1.00 1.66 O ATOM 1458 CB ILE A 99 -7.409 -7.162 -0.948 1.00 1.57 C ATOM 1459 CG1 ILE A 99 -8.919 -7.090 -1.203 1.00 1.51 C ATOM 1460 CG2 ILE A 99 -6.686 -7.300 -2.291 1.00 1.61 C ATOM 1461 CD1 ILE A 99 -9.291 -5.652 -1.561 1.00 1.73 C ATOM 0 H ILE A 99 -5.687 -9.181 -1.198 1.00 1.55 H new ATOM 0 HA ILE A 99 -6.976 -7.690 1.036 1.00 1.63 H new ATOM 0 HB ILE A 99 -7.099 -6.230 -0.475 1.00 1.57 H new ATOM 0 HG12 ILE A 99 -9.197 -7.764 -2.013 1.00 1.51 H new ATOM 0 HG13 ILE A 99 -9.467 -7.412 -0.317 1.00 1.51 H new ATOM 0 HG21 ILE A 99 -7.026 -6.518 -2.969 1.00 1.61 H new ATOM 0 HG22 ILE A 99 -5.611 -7.205 -2.137 1.00 1.61 H new ATOM 0 HG23 ILE A 99 -6.906 -8.276 -2.724 1.00 1.61 H new ATOM 0 HD11 ILE A 99 -10.364 -5.589 -1.745 1.00 1.73 H new ATOM 0 HD12 ILE A 99 -9.024 -4.991 -0.736 1.00 1.73 H new ATOM 0 HD13 ILE A 99 -8.751 -5.349 -2.458 1.00 1.73 H new ATOM 1473 N LYS A 100 -8.601 -9.543 1.372 1.00 2.17 N ATOM 1474 CA LYS A 100 -9.513 -10.639 1.676 1.00 2.19 C ATOM 1475 C LYS A 100 -10.738 -10.600 0.741 1.00 1.95 C ATOM 1476 O LYS A 100 -11.018 -9.554 0.157 1.00 2.88 O ATOM 1477 CB LYS A 100 -9.883 -10.554 3.171 1.00 3.59 C ATOM 1478 CG LYS A 100 -10.829 -9.392 3.508 1.00 5.53 C ATOM 1479 CD LYS A 100 -11.015 -9.284 5.030 1.00 6.40 C ATOM 1480 CE LYS A 100 -12.195 -8.373 5.407 1.00 8.36 C ATOM 1481 NZ LYS A 100 -13.499 -9.046 5.230 1.00 8.84 N ATOM 0 H LYS A 100 -8.492 -8.882 2.141 1.00 2.17 H new ATOM 0 HA LYS A 100 -9.039 -11.604 1.497 1.00 2.19 H new ATOM 0 HB2 LYS A 100 -10.350 -11.491 3.474 1.00 3.59 H new ATOM 0 HB3 LYS A 100 -8.970 -10.449 3.757 1.00 3.59 H new ATOM 0 HG2 LYS A 100 -10.424 -8.459 3.117 1.00 5.53 H new ATOM 0 HG3 LYS A 100 -11.794 -9.548 3.026 1.00 5.53 H new ATOM 0 HD2 LYS A 100 -11.178 -10.278 5.446 1.00 6.40 H new ATOM 0 HD3 LYS A 100 -10.101 -8.897 5.480 1.00 6.40 H new ATOM 0 HE2 LYS A 100 -12.090 -8.056 6.444 1.00 8.36 H new ATOM 0 HE3 LYS A 100 -12.167 -7.472 4.794 1.00 8.36 H new ATOM 0 HZ1 LYS A 100 -14.234 -8.335 5.043 1.00 8.84 H new ATOM 0 HZ2 LYS A 100 -13.443 -9.705 4.428 1.00 8.84 H new ATOM 0 HZ3 LYS A 100 -13.738 -9.572 6.095 1.00 8.84 H new ATOM 1495 N PRO A 101 -11.510 -11.690 0.605 1.00 2.06 N ATOM 1496 CA PRO A 101 -12.695 -11.690 -0.243 1.00 3.13 C ATOM 1497 C PRO A 101 -13.780 -10.742 0.279 1.00 2.81 C ATOM 1498 O PRO A 101 -14.251 -9.876 -0.460 1.00 4.27 O ATOM 1499 CB PRO A 101 -13.166 -13.143 -0.288 1.00 4.38 C ATOM 1500 CG PRO A 101 -12.546 -13.805 0.941 1.00 4.10 C ATOM 1501 CD PRO A 101 -11.248 -13.021 1.132 1.00 2.66 C ATOM 0 HA PRO A 101 -12.468 -11.318 -1.242 1.00 3.13 H new ATOM 0 HB2 PRO A 101 -14.254 -13.205 -0.262 1.00 4.38 H new ATOM 0 HB3 PRO A 101 -12.841 -13.634 -1.205 1.00 4.38 H new ATOM 0 HG2 PRO A 101 -13.196 -13.729 1.812 1.00 4.10 H new ATOM 0 HG3 PRO A 101 -12.357 -14.866 0.776 1.00 4.10 H new ATOM 0 HD2 PRO A 101 -10.969 -12.977 2.185 1.00 2.66 H new ATOM 0 HD3 PRO A 101 -10.422 -13.496 0.602 1.00 2.66 H new ATOM 1509 N ASP A 102 -14.192 -10.932 1.541 1.00 1.94 N ATOM 1510 CA ASP A 102 -15.259 -10.210 2.241 1.00 2.24 C ATOM 1511 C ASP A 102 -16.655 -10.508 1.682 1.00 2.58 C ATOM 1512 O ASP A 102 -17.535 -10.934 2.427 1.00 3.42 O ATOM 1513 CB ASP A 102 -14.987 -8.704 2.288 1.00 2.67 C ATOM 1514 CG ASP A 102 -15.963 -7.998 3.207 1.00 4.13 C ATOM 1515 OD1 ASP A 102 -17.054 -7.632 2.728 1.00 5.30 O ATOM 1516 OD2 ASP A 102 -15.594 -7.814 4.389 1.00 4.80 O ATOM 0 H ASP A 102 -13.760 -11.639 2.136 1.00 1.94 H new ATOM 0 HA ASP A 102 -15.252 -10.584 3.265 1.00 2.24 H new ATOM 0 HB2 ASP A 102 -13.968 -8.527 2.631 1.00 2.67 H new ATOM 0 HB3 ASP A 102 -15.063 -8.287 1.284 1.00 2.67 H new ATOM 1521 N GLY A 103 -16.848 -10.287 0.382 1.00 2.78 N ATOM 1522 CA GLY A 103 -18.113 -10.492 -0.305 1.00 3.41 C ATOM 1523 C GLY A 103 -18.929 -9.204 -0.324 1.00 3.04 C ATOM 1524 O GLY A 103 -20.104 -9.199 0.035 1.00 4.07 O ATOM 0 H GLY A 103 -16.107 -9.952 -0.234 1.00 2.78 H new ATOM 0 HA2 GLY A 103 -17.928 -10.827 -1.326 1.00 3.41 H new ATOM 0 HA3 GLY A 103 -18.679 -11.280 0.192 1.00 3.41 H new ATOM 1528 N LYS A 104 -18.304 -8.101 -0.751 1.00 2.01 N ATOM 1529 CA LYS A 104 -18.929 -6.786 -0.762 1.00 1.93 C ATOM 1530 C LYS A 104 -18.228 -5.902 -1.799 1.00 1.94 C ATOM 1531 O LYS A 104 -17.664 -4.866 -1.460 1.00 2.62 O ATOM 1532 CB LYS A 104 -18.869 -6.200 0.658 1.00 2.11 C ATOM 1533 CG LYS A 104 -19.777 -4.979 0.841 1.00 2.71 C ATOM 1534 CD LYS A 104 -19.489 -4.234 2.152 1.00 3.04 C ATOM 1535 CE LYS A 104 -19.714 -5.080 3.418 1.00 3.98 C ATOM 1536 NZ LYS A 104 -18.530 -5.878 3.806 1.00 4.67 N ATOM 0 H LYS A 104 -17.345 -8.102 -1.099 1.00 2.01 H new ATOM 0 HA LYS A 104 -19.978 -6.848 -1.050 1.00 1.93 H new ATOM 0 HB2 LYS A 104 -19.155 -6.969 1.375 1.00 2.11 H new ATOM 0 HB3 LYS A 104 -17.841 -5.919 0.886 1.00 2.11 H new ATOM 0 HG2 LYS A 104 -19.641 -4.298 0.001 1.00 2.71 H new ATOM 0 HG3 LYS A 104 -20.819 -5.298 0.828 1.00 2.71 H new ATOM 0 HD2 LYS A 104 -18.456 -3.885 2.140 1.00 3.04 H new ATOM 0 HD3 LYS A 104 -20.124 -3.349 2.202 1.00 3.04 H new ATOM 0 HE2 LYS A 104 -19.986 -4.422 4.243 1.00 3.98 H new ATOM 0 HE3 LYS A 104 -20.558 -5.750 3.254 1.00 3.98 H new ATOM 0 HZ1 LYS A 104 -18.623 -6.177 4.798 1.00 4.67 H new ATOM 0 HZ2 LYS A 104 -18.462 -6.718 3.196 1.00 4.67 H new ATOM 0 HZ3 LYS A 104 -17.672 -5.301 3.697 1.00 4.67 H new ATOM 1550 N ARG A 105 -18.258 -6.323 -3.067 1.00 2.08 N ATOM 1551 CA ARG A 105 -17.622 -5.659 -4.207 1.00 2.22 C ATOM 1552 C ARG A 105 -16.099 -5.800 -4.177 1.00 2.13 C ATOM 1553 O ARG A 105 -15.497 -6.232 -5.156 1.00 2.89 O ATOM 1554 CB ARG A 105 -18.018 -4.176 -4.345 1.00 2.35 C ATOM 1555 CG ARG A 105 -19.532 -3.931 -4.334 1.00 3.13 C ATOM 1556 CD ARG A 105 -19.798 -2.423 -4.438 1.00 3.69 C ATOM 1557 NE ARG A 105 -21.239 -2.124 -4.402 1.00 4.90 N ATOM 1558 CZ ARG A 105 -21.761 -0.886 -4.365 1.00 5.93 C ATOM 1559 NH1 ARG A 105 -20.950 0.178 -4.376 1.00 6.16 N ATOM 1560 NH2 ARG A 105 -23.088 -0.719 -4.314 1.00 7.13 N ATOM 0 H ARG A 105 -18.749 -7.175 -3.338 1.00 2.08 H new ATOM 0 HA ARG A 105 -18.000 -6.177 -5.088 1.00 2.22 H new ATOM 0 HB2 ARG A 105 -17.563 -3.612 -3.531 1.00 2.35 H new ATOM 0 HB3 ARG A 105 -17.604 -3.785 -5.274 1.00 2.35 H new ATOM 0 HG2 ARG A 105 -20.004 -4.454 -5.166 1.00 3.13 H new ATOM 0 HG3 ARG A 105 -19.970 -4.328 -3.418 1.00 3.13 H new ATOM 0 HD2 ARG A 105 -19.298 -1.907 -3.618 1.00 3.69 H new ATOM 0 HD3 ARG A 105 -19.369 -2.040 -5.364 1.00 3.69 H new ATOM 0 HE ARG A 105 -21.887 -2.912 -4.405 1.00 4.90 H new ATOM 0 HH11 ARG A 105 -19.939 0.048 -4.412 1.00 6.16 H new ATOM 0 HH12 ARG A 105 -21.343 1.119 -4.348 1.00 6.16 H new ATOM 0 HH21 ARG A 105 -23.704 -1.532 -4.303 1.00 7.13 H new ATOM 0 HH22 ARG A 105 -23.483 0.221 -4.286 1.00 7.13 H new ATOM 1574 N HIS A 106 -15.474 -5.417 -3.067 1.00 1.98 N ATOM 1575 CA HIS A 106 -14.056 -5.570 -2.803 1.00 1.96 C ATOM 1576 C HIS A 106 -13.844 -5.226 -1.331 1.00 1.86 C ATOM 1577 O HIS A 106 -14.638 -4.486 -0.757 1.00 3.25 O ATOM 1578 CB HIS A 106 -13.217 -4.671 -3.721 1.00 2.46 C ATOM 1579 CG HIS A 106 -13.711 -3.247 -3.804 1.00 4.03 C ATOM 1580 ND1 HIS A 106 -14.543 -2.751 -4.782 1.00 5.59 N ATOM 1581 CD2 HIS A 106 -13.508 -2.250 -2.886 1.00 4.88 C ATOM 1582 CE1 HIS A 106 -14.824 -1.476 -4.465 1.00 6.86 C ATOM 1583 NE2 HIS A 106 -14.222 -1.127 -3.317 1.00 6.48 N ATOM 0 H HIS A 106 -15.970 -4.972 -2.295 1.00 1.98 H new ATOM 0 HA HIS A 106 -13.731 -6.590 -3.008 1.00 1.96 H new ATOM 0 HB2 HIS A 106 -12.187 -4.667 -3.366 1.00 2.46 H new ATOM 0 HB3 HIS A 106 -13.207 -5.100 -4.723 1.00 2.46 H new ATOM 0 HD2 HIS A 106 -12.906 -2.319 -1.992 1.00 4.88 H new ATOM 0 HE1 HIS A 106 -15.449 -0.821 -5.054 1.00 6.86 H new ATOM 0 HE2 HIS A 106 -14.275 -0.221 -2.851 1.00 6.48 H new ATOM 1591 N ALA A 107 -12.800 -5.791 -0.725 1.00 1.39 N ATOM 1592 CA ALA A 107 -12.504 -5.615 0.686 1.00 2.05 C ATOM 1593 C ALA A 107 -11.343 -4.636 0.874 1.00 1.56 C ATOM 1594 O ALA A 107 -11.286 -3.604 0.208 1.00 1.73 O ATOM 1595 CB ALA A 107 -12.206 -6.989 1.279 1.00 3.23 C ATOM 0 H ALA A 107 -12.132 -6.390 -1.211 1.00 1.39 H new ATOM 0 HA ALA A 107 -13.356 -5.181 1.209 1.00 2.05 H new ATOM 0 HB1 ALA A 107 -11.980 -6.886 2.340 1.00 3.23 H new ATOM 0 HB2 ALA A 107 -13.075 -7.635 1.154 1.00 3.23 H new ATOM 0 HB3 ALA A 107 -11.350 -7.429 0.767 1.00 3.23 H new ATOM 1601 N VAL A 108 -10.410 -4.974 1.770 1.00 1.23 N ATOM 1602 CA VAL A 108 -9.276 -4.162 2.160 1.00 0.99 C ATOM 1603 C VAL A 108 -8.107 -5.074 2.518 1.00 1.00 C ATOM 1604 O VAL A 108 -8.294 -6.275 2.721 1.00 1.06 O ATOM 1605 CB VAL A 108 -9.632 -3.291 3.376 1.00 1.11 C ATOM 1606 CG1 VAL A 108 -10.315 -2.000 2.937 1.00 1.36 C ATOM 1607 CG2 VAL A 108 -10.513 -4.060 4.368 1.00 1.26 C ATOM 0 H VAL A 108 -10.436 -5.867 2.261 1.00 1.23 H new ATOM 0 HA VAL A 108 -9.003 -3.511 1.329 1.00 0.99 H new ATOM 0 HB VAL A 108 -8.703 -3.031 3.883 1.00 1.11 H new ATOM 0 HG11 VAL A 108 -10.557 -1.400 3.814 1.00 1.36 H new ATOM 0 HG12 VAL A 108 -9.646 -1.437 2.286 1.00 1.36 H new ATOM 0 HG13 VAL A 108 -11.231 -2.239 2.396 1.00 1.36 H new ATOM 0 HG21 VAL A 108 -10.749 -3.419 5.218 1.00 1.26 H new ATOM 0 HG22 VAL A 108 -11.437 -4.364 3.875 1.00 1.26 H new ATOM 0 HG23 VAL A 108 -9.981 -4.945 4.717 1.00 1.26 H new ATOM 1617 N ILE A 109 -6.924 -4.465 2.603 1.00 1.22 N ATOM 1618 CA ILE A 109 -5.651 -5.077 2.935 1.00 1.17 C ATOM 1619 C ILE A 109 -5.292 -4.756 4.389 1.00 1.17 C ATOM 1620 O ILE A 109 -5.876 -3.858 4.993 1.00 1.47 O ATOM 1621 CB ILE A 109 -4.603 -4.551 1.929 1.00 1.39 C ATOM 1622 CG1 ILE A 109 -5.093 -4.915 0.522 1.00 1.62 C ATOM 1623 CG2 ILE A 109 -3.172 -5.059 2.176 1.00 2.19 C ATOM 1624 CD1 ILE A 109 -4.164 -4.479 -0.593 1.00 2.09 C ATOM 0 H ILE A 109 -6.831 -3.464 2.429 1.00 1.22 H new ATOM 0 HA ILE A 109 -5.691 -6.164 2.857 1.00 1.17 H new ATOM 0 HB ILE A 109 -4.523 -3.471 2.055 1.00 1.39 H new ATOM 0 HG12 ILE A 109 -5.228 -5.995 0.465 1.00 1.62 H new ATOM 0 HG13 ILE A 109 -6.071 -4.462 0.362 1.00 1.62 H new ATOM 0 HG21 ILE A 109 -2.503 -4.641 1.424 1.00 2.19 H new ATOM 0 HG22 ILE A 109 -2.842 -4.750 3.168 1.00 2.19 H new ATOM 0 HG23 ILE A 109 -3.156 -6.147 2.111 1.00 2.19 H new ATOM 0 HD11 ILE A 109 -4.585 -4.775 -1.554 1.00 2.09 H new ATOM 0 HD12 ILE A 109 -4.047 -3.396 -0.566 1.00 2.09 H new ATOM 0 HD13 ILE A 109 -3.191 -4.952 -0.462 1.00 2.09 H new ATOM 1636 N SER A 110 -4.320 -5.480 4.950 1.00 1.06 N ATOM 1637 CA SER A 110 -3.713 -5.199 6.245 1.00 1.06 C ATOM 1638 C SER A 110 -2.241 -5.617 6.176 1.00 0.97 C ATOM 1639 O SER A 110 -1.845 -6.592 6.811 1.00 1.37 O ATOM 1640 CB SER A 110 -4.484 -5.953 7.338 1.00 1.14 C ATOM 1641 OG SER A 110 -3.844 -5.811 8.589 1.00 2.24 O ATOM 0 H SER A 110 -3.924 -6.304 4.497 1.00 1.06 H new ATOM 0 HA SER A 110 -3.760 -4.138 6.491 1.00 1.06 H new ATOM 0 HB2 SER A 110 -5.503 -5.572 7.400 1.00 1.14 H new ATOM 0 HB3 SER A 110 -4.554 -7.009 7.078 1.00 1.14 H new ATOM 0 HG SER A 110 -2.929 -6.158 8.530 1.00 2.24 H new ATOM 1647 N GLY A 111 -1.444 -4.910 5.372 1.00 0.66 N ATOM 1648 CA GLY A 111 -0.084 -5.322 5.042 1.00 0.65 C ATOM 1649 C GLY A 111 0.916 -4.791 6.066 1.00 0.70 C ATOM 1650 O GLY A 111 0.840 -3.622 6.433 1.00 1.20 O ATOM 0 H GLY A 111 -1.727 -4.034 4.932 1.00 0.66 H new ATOM 0 HA2 GLY A 111 -0.029 -6.410 5.006 1.00 0.65 H new ATOM 0 HA3 GLY A 111 0.179 -4.957 4.049 1.00 0.65 H new ATOM 1654 N SER A 112 1.861 -5.624 6.512 1.00 0.59 N ATOM 1655 CA SER A 112 2.900 -5.245 7.464 1.00 0.66 C ATOM 1656 C SER A 112 3.994 -4.452 6.739 1.00 0.54 C ATOM 1657 O SER A 112 4.295 -4.764 5.581 1.00 0.69 O ATOM 1658 CB SER A 112 3.470 -6.522 8.089 1.00 0.99 C ATOM 1659 OG SER A 112 2.421 -7.449 8.319 1.00 1.62 O ATOM 0 H SER A 112 1.923 -6.597 6.214 1.00 0.59 H new ATOM 0 HA SER A 112 2.490 -4.612 8.251 1.00 0.66 H new ATOM 0 HB2 SER A 112 4.217 -6.960 7.428 1.00 0.99 H new ATOM 0 HB3 SER A 112 3.973 -6.287 9.027 1.00 0.99 H new ATOM 0 HG SER A 112 2.788 -8.266 8.717 1.00 1.62 H new ATOM 1665 N VAL A 113 4.529 -3.398 7.378 1.00 0.42 N ATOM 1666 CA VAL A 113 5.484 -2.494 6.740 1.00 0.41 C ATOM 1667 C VAL A 113 6.764 -2.326 7.558 1.00 0.50 C ATOM 1668 O VAL A 113 6.716 -2.022 8.751 1.00 0.81 O ATOM 1669 CB VAL A 113 4.829 -1.148 6.369 1.00 0.55 C ATOM 1670 CG1 VAL A 113 3.385 -1.302 5.872 1.00 0.80 C ATOM 1671 CG2 VAL A 113 4.836 -0.134 7.510 1.00 0.92 C ATOM 0 H VAL A 113 4.310 -3.155 8.344 1.00 0.42 H new ATOM 0 HA VAL A 113 5.792 -2.960 5.804 1.00 0.41 H new ATOM 0 HB VAL A 113 5.453 -0.771 5.559 1.00 0.55 H new ATOM 0 HG11 VAL A 113 2.978 -0.321 5.627 1.00 0.80 H new ATOM 0 HG12 VAL A 113 3.371 -1.933 4.983 1.00 0.80 H new ATOM 0 HG13 VAL A 113 2.779 -1.761 6.653 1.00 0.80 H new ATOM 0 HG21 VAL A 113 4.360 0.789 7.179 1.00 0.92 H new ATOM 0 HG22 VAL A 113 4.289 -0.540 8.361 1.00 0.92 H new ATOM 0 HG23 VAL A 113 5.864 0.074 7.806 1.00 0.92 H new ATOM 1681 N LEU A 114 7.907 -2.480 6.883 1.00 0.51 N ATOM 1682 CA LEU A 114 9.238 -2.443 7.469 1.00 0.64 C ATOM 1683 C LEU A 114 9.930 -1.148 7.059 1.00 0.72 C ATOM 1684 O LEU A 114 10.092 -0.855 5.878 1.00 0.81 O ATOM 1685 CB LEU A 114 10.003 -3.709 7.053 1.00 0.84 C ATOM 1686 CG LEU A 114 11.538 -3.610 7.026 1.00 0.83 C ATOM 1687 CD1 LEU A 114 12.154 -4.886 7.601 1.00 1.49 C ATOM 1688 CD2 LEU A 114 12.009 -3.459 5.571 1.00 1.97 C ATOM 0 H LEU A 114 7.924 -2.640 5.876 1.00 0.51 H new ATOM 0 HA LEU A 114 9.195 -2.443 8.558 1.00 0.64 H new ATOM 0 HB2 LEU A 114 9.726 -4.514 7.734 1.00 0.84 H new ATOM 0 HB3 LEU A 114 9.663 -4.001 6.059 1.00 0.84 H new ATOM 0 HG LEU A 114 11.848 -2.750 7.620 1.00 0.83 H new ATOM 0 HD11 LEU A 114 13.241 -4.808 7.578 1.00 1.49 H new ATOM 0 HD12 LEU A 114 11.821 -5.019 8.630 1.00 1.49 H new ATOM 0 HD13 LEU A 114 11.839 -5.743 7.005 1.00 1.49 H new ATOM 0 HD21 LEU A 114 13.096 -3.388 5.546 1.00 1.97 H new ATOM 0 HD22 LEU A 114 11.688 -4.326 4.993 1.00 1.97 H new ATOM 0 HD23 LEU A 114 11.577 -2.556 5.141 1.00 1.97 H new ATOM 1700 N TYR A 115 10.377 -0.371 8.043 1.00 0.90 N ATOM 1701 CA TYR A 115 11.115 0.871 7.851 1.00 1.17 C ATOM 1702 C TYR A 115 12.578 0.507 7.592 1.00 1.21 C ATOM 1703 O TYR A 115 13.469 0.854 8.365 1.00 1.51 O ATOM 1704 CB TYR A 115 10.910 1.836 9.042 1.00 1.49 C ATOM 1705 CG TYR A 115 9.755 1.522 9.977 1.00 2.21 C ATOM 1706 CD1 TYR A 115 8.452 1.365 9.472 1.00 3.82 C ATOM 1707 CD2 TYR A 115 9.982 1.427 11.364 1.00 3.02 C ATOM 1708 CE1 TYR A 115 7.385 1.119 10.349 1.00 5.47 C ATOM 1709 CE2 TYR A 115 8.895 1.314 12.245 1.00 4.75 C ATOM 1710 CZ TYR A 115 7.600 1.169 11.733 1.00 5.79 C ATOM 1711 OH TYR A 115 6.538 1.195 12.580 1.00 7.54 O ATOM 0 H TYR A 115 10.230 -0.597 9.027 1.00 0.90 H new ATOM 0 HA TYR A 115 10.741 1.421 6.987 1.00 1.17 H new ATOM 0 HB2 TYR A 115 11.829 1.854 9.628 1.00 1.49 H new ATOM 0 HB3 TYR A 115 10.765 2.841 8.646 1.00 1.49 H new ATOM 0 HD1 TYR A 115 8.273 1.434 8.409 1.00 3.82 H new ATOM 0 HD2 TYR A 115 10.991 1.441 11.749 1.00 3.02 H new ATOM 0 HE1 TYR A 115 6.403 0.892 9.960 1.00 5.47 H new ATOM 0 HE2 TYR A 115 9.057 1.339 13.313 1.00 4.75 H new ATOM 0 HH TYR A 115 6.840 0.988 13.489 1.00 7.54 H new ATOM 1721 N ASN A 116 12.809 -0.265 6.528 1.00 1.07 N ATOM 1722 CA ASN A 116 14.108 -0.758 6.075 1.00 1.14 C ATOM 1723 C ASN A 116 14.736 -1.808 7.001 1.00 0.82 C ATOM 1724 O ASN A 116 15.214 -2.833 6.525 1.00 0.85 O ATOM 1725 CB ASN A 116 15.075 0.405 5.862 1.00 1.56 C ATOM 1726 CG ASN A 116 16.270 -0.002 5.010 1.00 2.26 C ATOM 1727 OD1 ASN A 116 17.382 -0.141 5.510 1.00 2.79 O ATOM 1728 ND2 ASN A 116 16.053 -0.194 3.711 1.00 3.19 N ATOM 0 H ASN A 116 12.049 -0.580 5.925 1.00 1.07 H new ATOM 0 HA ASN A 116 13.920 -1.265 5.128 1.00 1.14 H new ATOM 0 HB2 ASN A 116 14.550 1.231 5.381 1.00 1.56 H new ATOM 0 HB3 ASN A 116 15.425 0.769 6.828 1.00 1.56 H new ATOM 0 HD21 ASN A 116 16.823 -0.465 3.100 1.00 3.19 H new ATOM 0 HD22 ASN A 116 15.116 -0.070 3.327 1.00 3.19 H new ATOM 1735 N GLN A 117 14.789 -1.538 8.309 1.00 0.81 N ATOM 1736 CA GLN A 117 15.521 -2.325 9.296 1.00 0.93 C ATOM 1737 C GLN A 117 14.651 -2.751 10.484 1.00 1.05 C ATOM 1738 O GLN A 117 15.028 -3.672 11.205 1.00 1.53 O ATOM 1739 CB GLN A 117 16.711 -1.488 9.789 1.00 1.39 C ATOM 1740 CG GLN A 117 17.788 -1.321 8.707 1.00 1.57 C ATOM 1741 CD GLN A 117 18.571 -0.025 8.896 1.00 1.83 C ATOM 1742 OE1 GLN A 117 19.157 0.202 9.949 1.00 2.50 O ATOM 1743 NE2 GLN A 117 18.578 0.847 7.892 1.00 2.38 N ATOM 0 H GLN A 117 14.306 -0.739 8.719 1.00 0.81 H new ATOM 0 HA GLN A 117 15.857 -3.245 8.817 1.00 0.93 H new ATOM 0 HB2 GLN A 117 16.358 -0.506 10.103 1.00 1.39 H new ATOM 0 HB3 GLN A 117 17.150 -1.964 10.666 1.00 1.39 H new ATOM 0 HG2 GLN A 117 18.472 -2.169 8.739 1.00 1.57 H new ATOM 0 HG3 GLN A 117 17.320 -1.325 7.722 1.00 1.57 H new ATOM 0 HE21 GLN A 117 18.082 0.633 7.027 1.00 2.38 H new ATOM 0 HE22 GLN A 117 19.079 1.730 7.987 1.00 2.38 H new ATOM 1752 N ALA A 118 13.512 -2.091 10.715 1.00 0.90 N ATOM 1753 CA ALA A 118 12.598 -2.402 11.810 1.00 0.99 C ATOM 1754 C ALA A 118 11.191 -2.514 11.243 1.00 0.88 C ATOM 1755 O ALA A 118 10.889 -1.847 10.259 1.00 1.27 O ATOM 1756 CB ALA A 118 12.635 -1.289 12.857 1.00 1.20 C ATOM 0 H ALA A 118 13.197 -1.313 10.135 1.00 0.90 H new ATOM 0 HA ALA A 118 12.894 -3.338 12.283 1.00 0.99 H new ATOM 0 HB1 ALA A 118 11.950 -1.531 13.669 1.00 1.20 H new ATOM 0 HB2 ALA A 118 13.647 -1.194 13.252 1.00 1.20 H new ATOM 0 HB3 ALA A 118 12.335 -0.347 12.398 1.00 1.20 H new ATOM 1762 N GLU A 119 10.332 -3.318 11.871 1.00 0.83 N ATOM 1763 CA GLU A 119 8.938 -3.460 11.497 1.00 0.88 C ATOM 1764 C GLU A 119 8.115 -3.323 12.765 1.00 0.90 C ATOM 1765 O GLU A 119 8.154 -4.199 13.628 1.00 1.50 O ATOM 1766 CB GLU A 119 8.705 -4.814 10.813 1.00 1.33 C ATOM 1767 CG GLU A 119 7.225 -5.007 10.448 1.00 1.58 C ATOM 1768 CD GLU A 119 7.039 -6.049 9.354 1.00 2.50 C ATOM 1769 OE1 GLU A 119 7.627 -7.139 9.507 1.00 2.92 O ATOM 1770 OE2 GLU A 119 6.306 -5.734 8.393 1.00 3.61 O ATOM 0 H GLU A 119 10.598 -3.896 12.668 1.00 0.83 H new ATOM 0 HA GLU A 119 8.643 -2.693 10.781 1.00 0.88 H new ATOM 0 HB2 GLU A 119 9.315 -4.879 9.912 1.00 1.33 H new ATOM 0 HB3 GLU A 119 9.027 -5.618 11.475 1.00 1.33 H new ATOM 0 HG2 GLU A 119 6.669 -5.310 11.335 1.00 1.58 H new ATOM 0 HG3 GLU A 119 6.806 -4.056 10.118 1.00 1.58 H new ATOM 1777 N LYS A 120 7.387 -2.212 12.893 1.00 0.66 N ATOM 1778 CA LYS A 120 6.391 -2.053 13.930 1.00 0.89 C ATOM 1779 C LYS A 120 5.182 -1.293 13.403 1.00 1.22 C ATOM 1780 O LYS A 120 4.599 -0.419 14.052 1.00 1.86 O ATOM 1781 CB LYS A 120 7.043 -1.407 15.157 1.00 1.00 C ATOM 1782 CG LYS A 120 6.973 -2.409 16.305 1.00 1.58 C ATOM 1783 CD LYS A 120 5.531 -2.735 16.685 1.00 2.01 C ATOM 1784 CE LYS A 120 4.887 -1.595 17.477 1.00 3.20 C ATOM 1785 NZ LYS A 120 3.587 -1.992 18.059 1.00 4.17 N ATOM 0 H LYS A 120 7.478 -1.404 12.277 1.00 0.66 H new ATOM 0 HA LYS A 120 6.008 -3.024 14.244 1.00 0.89 H new ATOM 0 HB2 LYS A 120 8.079 -1.142 14.944 1.00 1.00 H new ATOM 0 HB3 LYS A 120 6.526 -0.485 15.423 1.00 1.00 H new ATOM 0 HG2 LYS A 120 7.490 -3.325 16.020 1.00 1.58 H new ATOM 0 HG3 LYS A 120 7.495 -2.005 17.172 1.00 1.58 H new ATOM 0 HD2 LYS A 120 4.950 -2.926 15.782 1.00 2.01 H new ATOM 0 HD3 LYS A 120 5.508 -3.649 17.278 1.00 2.01 H new ATOM 0 HE2 LYS A 120 5.561 -1.281 18.274 1.00 3.20 H new ATOM 0 HE3 LYS A 120 4.744 -0.735 16.823 1.00 3.20 H new ATOM 0 HZ1 LYS A 120 3.184 -1.192 18.587 1.00 4.17 H new ATOM 0 HZ2 LYS A 120 2.935 -2.267 17.297 1.00 4.17 H new ATOM 0 HZ3 LYS A 120 3.726 -2.797 18.703 1.00 4.17 H new ATOM 1799 N GLY A 121 4.813 -1.625 12.175 1.00 0.86 N ATOM 1800 CA GLY A 121 3.857 -0.857 11.416 1.00 0.75 C ATOM 1801 C GLY A 121 3.163 -1.702 10.374 1.00 0.51 C ATOM 1802 O GLY A 121 3.575 -2.818 10.054 1.00 0.63 O ATOM 0 H GLY A 121 5.175 -2.441 11.681 1.00 0.86 H new ATOM 0 HA2 GLY A 121 3.115 -0.430 12.091 1.00 0.75 H new ATOM 0 HA3 GLY A 121 4.364 -0.023 10.930 1.00 0.75 H new ATOM 1806 N SER A 122 2.087 -1.125 9.862 1.00 0.64 N ATOM 1807 CA SER A 122 1.137 -1.775 8.999 1.00 0.77 C ATOM 1808 C SER A 122 0.469 -0.692 8.167 1.00 0.65 C ATOM 1809 O SER A 122 0.389 0.452 8.628 1.00 0.57 O ATOM 1810 CB SER A 122 0.123 -2.502 9.882 1.00 0.95 C ATOM 1811 OG SER A 122 -0.338 -1.658 10.923 1.00 0.96 O ATOM 0 H SER A 122 1.850 -0.151 10.050 1.00 0.64 H new ATOM 0 HA SER A 122 1.604 -2.502 8.334 1.00 0.77 H new ATOM 0 HB2 SER A 122 -0.721 -2.833 9.277 1.00 0.95 H new ATOM 0 HB3 SER A 122 0.580 -3.395 10.308 1.00 0.95 H new ATOM 0 HG SER A 122 -0.987 -2.143 11.474 1.00 0.96 H new ATOM 1817 N TYR A 123 -0.035 -1.041 6.982 1.00 0.88 N ATOM 1818 CA TYR A 123 -0.971 -0.192 6.278 1.00 0.69 C ATOM 1819 C TYR A 123 -2.187 -0.985 5.814 1.00 0.63 C ATOM 1820 O TYR A 123 -2.105 -2.195 5.593 1.00 0.85 O ATOM 1821 CB TYR A 123 -0.266 0.610 5.173 1.00 1.20 C ATOM 1822 CG TYR A 123 -0.141 0.036 3.775 1.00 0.89 C ATOM 1823 CD1 TYR A 123 -0.132 0.940 2.695 1.00 2.15 C ATOM 1824 CD2 TYR A 123 -0.043 -1.346 3.522 1.00 1.46 C ATOM 1825 CE1 TYR A 123 -0.144 0.465 1.377 1.00 2.27 C ATOM 1826 CE2 TYR A 123 -0.148 -1.822 2.203 1.00 1.77 C ATOM 1827 CZ TYR A 123 -0.200 -0.913 1.133 1.00 1.54 C ATOM 1828 OH TYR A 123 -0.320 -1.341 -0.149 1.00 2.10 O ATOM 0 H TYR A 123 0.195 -1.908 6.497 1.00 0.88 H new ATOM 0 HA TYR A 123 -1.365 0.557 6.965 1.00 0.69 H new ATOM 0 HB2 TYR A 123 -0.785 1.564 5.085 1.00 1.20 H new ATOM 0 HB3 TYR A 123 0.743 0.827 5.525 1.00 1.20 H new ATOM 0 HD1 TYR A 123 -0.116 2.003 2.884 1.00 2.15 H new ATOM 0 HD2 TYR A 123 0.112 -2.037 4.337 1.00 1.46 H new ATOM 0 HE1 TYR A 123 -0.110 1.160 0.551 1.00 2.27 H new ATOM 0 HE2 TYR A 123 -0.189 -2.884 2.013 1.00 1.77 H new ATOM 0 HH TYR A 123 -0.701 -2.244 -0.158 1.00 2.10 H new ATOM 1838 N SER A 124 -3.320 -0.293 5.702 1.00 0.59 N ATOM 1839 CA SER A 124 -4.558 -0.845 5.194 1.00 0.64 C ATOM 1840 C SER A 124 -4.902 -0.072 3.930 1.00 0.63 C ATOM 1841 O SER A 124 -4.886 1.159 3.942 1.00 0.71 O ATOM 1842 CB SER A 124 -5.661 -0.734 6.250 1.00 0.75 C ATOM 1843 OG SER A 124 -6.826 -1.404 5.813 1.00 2.03 O ATOM 0 H SER A 124 -3.396 0.688 5.970 1.00 0.59 H new ATOM 0 HA SER A 124 -4.457 -1.905 4.963 1.00 0.64 H new ATOM 0 HB2 SER A 124 -5.318 -1.163 7.191 1.00 0.75 H new ATOM 0 HB3 SER A 124 -5.887 0.315 6.442 1.00 0.75 H new ATOM 0 HG SER A 124 -6.582 -2.282 5.451 1.00 2.03 H new ATOM 1849 N LEU A 125 -5.161 -0.809 2.849 1.00 0.67 N ATOM 1850 CA LEU A 125 -5.485 -0.289 1.529 1.00 0.74 C ATOM 1851 C LEU A 125 -6.845 -0.822 1.094 1.00 1.13 C ATOM 1852 O LEU A 125 -7.195 -1.940 1.460 1.00 1.57 O ATOM 1853 CB LEU A 125 -4.443 -0.781 0.510 1.00 0.93 C ATOM 1854 CG LEU A 125 -3.654 0.312 -0.215 1.00 0.93 C ATOM 1855 CD1 LEU A 125 -2.931 -0.347 -1.396 1.00 1.54 C ATOM 1856 CD2 LEU A 125 -4.514 1.460 -0.739 1.00 0.82 C ATOM 0 H LEU A 125 -5.149 -1.829 2.876 1.00 0.67 H new ATOM 0 HA LEU A 125 -5.493 0.800 1.572 1.00 0.74 H new ATOM 0 HB2 LEU A 125 -3.737 -1.431 1.026 1.00 0.93 H new ATOM 0 HB3 LEU A 125 -4.952 -1.391 -0.236 1.00 0.93 H new ATOM 0 HG LEU A 125 -2.968 0.755 0.507 1.00 0.93 H new ATOM 0 HD11 LEU A 125 -2.357 0.405 -1.937 1.00 1.54 H new ATOM 0 HD12 LEU A 125 -2.258 -1.120 -1.025 1.00 1.54 H new ATOM 0 HD13 LEU A 125 -3.664 -0.796 -2.067 1.00 1.54 H new ATOM 0 HD21 LEU A 125 -3.879 2.191 -1.239 1.00 0.82 H new ATOM 0 HD22 LEU A 125 -5.247 1.072 -1.446 1.00 0.82 H new ATOM 0 HD23 LEU A 125 -5.031 1.937 0.094 1.00 0.82 H new ATOM 1868 N GLY A 126 -7.545 -0.064 0.253 1.00 0.97 N ATOM 1869 CA GLY A 126 -8.706 -0.493 -0.517 1.00 1.01 C ATOM 1870 C GLY A 126 -8.499 -0.087 -1.979 1.00 0.93 C ATOM 1871 O GLY A 126 -7.806 0.894 -2.244 1.00 1.25 O ATOM 0 H GLY A 126 -7.305 0.913 0.083 1.00 0.97 H new ATOM 0 HA2 GLY A 126 -8.834 -1.573 -0.439 1.00 1.01 H new ATOM 0 HA3 GLY A 126 -9.613 -0.035 -0.122 1.00 1.01 H new ATOM 1875 N ILE A 127 -9.069 -0.850 -2.921 1.00 0.82 N ATOM 1876 CA ILE A 127 -8.915 -0.695 -4.361 1.00 0.71 C ATOM 1877 C ILE A 127 -10.235 -0.178 -4.924 1.00 0.63 C ATOM 1878 O ILE A 127 -11.291 -0.728 -4.613 1.00 0.81 O ATOM 1879 CB ILE A 127 -8.506 -2.053 -4.981 1.00 1.02 C ATOM 1880 CG1 ILE A 127 -8.485 -2.067 -6.519 1.00 1.22 C ATOM 1881 CG2 ILE A 127 -9.417 -3.210 -4.555 1.00 1.59 C ATOM 1882 CD1 ILE A 127 -7.411 -1.153 -7.094 1.00 2.29 C ATOM 0 H ILE A 127 -9.680 -1.630 -2.680 1.00 0.82 H new ATOM 0 HA ILE A 127 -8.130 0.021 -4.604 1.00 0.71 H new ATOM 0 HB ILE A 127 -7.495 -2.189 -4.596 1.00 1.02 H new ATOM 0 HG12 ILE A 127 -8.316 -3.086 -6.868 1.00 1.22 H new ATOM 0 HG13 ILE A 127 -9.460 -1.759 -6.896 1.00 1.22 H new ATOM 0 HG21 ILE A 127 -9.076 -4.133 -5.024 1.00 1.59 H new ATOM 0 HG22 ILE A 127 -9.383 -3.320 -3.471 1.00 1.59 H new ATOM 0 HG23 ILE A 127 -10.440 -3.001 -4.867 1.00 1.59 H new ATOM 0 HD11 ILE A 127 -7.438 -1.199 -8.183 1.00 2.29 H new ATOM 0 HD12 ILE A 127 -7.593 -0.128 -6.770 1.00 2.29 H new ATOM 0 HD13 ILE A 127 -6.431 -1.476 -6.742 1.00 2.29 H new ATOM 1894 N PHE A 128 -10.199 0.858 -5.765 1.00 0.62 N ATOM 1895 CA PHE A 128 -11.397 1.322 -6.449 1.00 0.70 C ATOM 1896 C PHE A 128 -11.784 0.287 -7.511 1.00 1.35 C ATOM 1897 O PHE A 128 -11.468 0.440 -8.696 1.00 1.73 O ATOM 1898 CB PHE A 128 -11.160 2.723 -7.028 1.00 1.94 C ATOM 1899 CG PHE A 128 -12.355 3.487 -7.585 1.00 2.92 C ATOM 1900 CD1 PHE A 128 -13.631 2.902 -7.734 1.00 3.44 C ATOM 1901 CD2 PHE A 128 -12.179 4.845 -7.917 1.00 4.36 C ATOM 1902 CE1 PHE A 128 -14.703 3.660 -8.238 1.00 4.56 C ATOM 1903 CE2 PHE A 128 -13.253 5.603 -8.409 1.00 5.49 C ATOM 1904 CZ PHE A 128 -14.516 5.011 -8.574 1.00 5.34 C ATOM 0 H PHE A 128 -9.355 1.386 -5.985 1.00 0.62 H new ATOM 0 HA PHE A 128 -12.233 1.415 -5.756 1.00 0.70 H new ATOM 0 HB2 PHE A 128 -10.710 3.334 -6.246 1.00 1.94 H new ATOM 0 HB3 PHE A 128 -10.422 2.633 -7.825 1.00 1.94 H new ATOM 0 HD1 PHE A 128 -13.785 1.869 -7.460 1.00 3.44 H new ATOM 0 HD2 PHE A 128 -11.210 5.306 -7.792 1.00 4.36 H new ATOM 0 HE1 PHE A 128 -15.673 3.202 -8.367 1.00 4.56 H new ATOM 0 HE2 PHE A 128 -13.108 6.643 -8.661 1.00 5.49 H new ATOM 0 HZ PHE A 128 -15.341 5.593 -8.958 1.00 5.34 H new ATOM 1914 N GLY A 129 -12.500 -0.754 -7.075 1.00 2.39 N ATOM 1915 CA GLY A 129 -13.135 -1.756 -7.924 1.00 3.59 C ATOM 1916 C GLY A 129 -14.303 -1.149 -8.703 1.00 2.56 C ATOM 1917 O GLY A 129 -15.461 -1.489 -8.483 1.00 3.65 O ATOM 0 H GLY A 129 -12.657 -0.925 -6.082 1.00 2.39 H new ATOM 0 HA2 GLY A 129 -12.403 -2.166 -8.619 1.00 3.59 H new ATOM 0 HA3 GLY A 129 -13.492 -2.584 -7.312 1.00 3.59 H new ATOM 1921 N GLY A 130 -13.960 -0.217 -9.592 1.00 1.27 N ATOM 1922 CA GLY A 130 -14.763 0.292 -10.690 1.00 1.99 C ATOM 1923 C GLY A 130 -14.016 -0.074 -11.970 1.00 2.13 C ATOM 1924 O GLY A 130 -14.591 -0.662 -12.881 1.00 3.03 O ATOM 0 H GLY A 130 -13.045 0.231 -9.556 1.00 1.27 H new ATOM 0 HA2 GLY A 130 -15.759 -0.150 -10.681 1.00 1.99 H new ATOM 0 HA3 GLY A 130 -14.892 1.371 -10.610 1.00 1.99 H new ATOM 1928 N LYS A 131 -12.708 0.222 -12.001 1.00 1.65 N ATOM 1929 CA LYS A 131 -11.744 -0.462 -12.860 1.00 1.58 C ATOM 1930 C LYS A 131 -10.306 -0.226 -12.367 1.00 1.31 C ATOM 1931 O LYS A 131 -9.423 0.026 -13.179 1.00 1.52 O ATOM 1932 CB LYS A 131 -11.941 -0.096 -14.348 1.00 1.73 C ATOM 1933 CG LYS A 131 -11.892 1.413 -14.622 1.00 1.84 C ATOM 1934 CD LYS A 131 -12.055 1.699 -16.121 1.00 2.07 C ATOM 1935 CE LYS A 131 -11.840 3.182 -16.463 1.00 2.56 C ATOM 1936 NZ LYS A 131 -12.854 4.072 -15.857 1.00 3.80 N ATOM 0 H LYS A 131 -12.291 0.951 -11.423 1.00 1.65 H new ATOM 0 HA LYS A 131 -11.928 -1.534 -12.792 1.00 1.58 H new ATOM 0 HB2 LYS A 131 -11.170 -0.589 -14.940 1.00 1.73 H new ATOM 0 HB3 LYS A 131 -12.901 -0.487 -14.686 1.00 1.73 H new ATOM 0 HG2 LYS A 131 -12.682 1.915 -14.063 1.00 1.84 H new ATOM 0 HG3 LYS A 131 -10.944 1.821 -14.270 1.00 1.84 H new ATOM 0 HD2 LYS A 131 -11.344 1.093 -16.683 1.00 2.07 H new ATOM 0 HD3 LYS A 131 -13.053 1.397 -16.439 1.00 2.07 H new ATOM 0 HE2 LYS A 131 -10.850 3.487 -16.124 1.00 2.56 H new ATOM 0 HE3 LYS A 131 -11.858 3.305 -17.546 1.00 2.56 H new ATOM 0 HZ1 LYS A 131 -12.727 5.039 -16.218 1.00 3.80 H new ATOM 0 HZ2 LYS A 131 -13.806 3.732 -16.103 1.00 3.80 H new ATOM 0 HZ3 LYS A 131 -12.743 4.071 -14.823 1.00 3.80 H new ATOM 1950 N ALA A 132 -10.067 -0.288 -11.046 1.00 1.06 N ATOM 1951 CA ALA A 132 -8.747 -0.117 -10.438 1.00 0.89 C ATOM 1952 C ALA A 132 -8.173 1.254 -10.812 1.00 0.88 C ATOM 1953 O ALA A 132 -7.155 1.357 -11.492 1.00 1.25 O ATOM 1954 CB ALA A 132 -7.813 -1.268 -10.841 1.00 1.15 C ATOM 0 H ALA A 132 -10.804 -0.462 -10.362 1.00 1.06 H new ATOM 0 HA ALA A 132 -8.842 -0.150 -9.353 1.00 0.89 H new ATOM 0 HB1 ALA A 132 -6.836 -1.123 -10.379 1.00 1.15 H new ATOM 0 HB2 ALA A 132 -8.236 -2.215 -10.505 1.00 1.15 H new ATOM 0 HB3 ALA A 132 -7.703 -1.284 -11.925 1.00 1.15 H new ATOM 1960 N GLN A 133 -8.849 2.306 -10.352 1.00 0.69 N ATOM 1961 CA GLN A 133 -8.659 3.686 -10.799 1.00 0.75 C ATOM 1962 C GLN A 133 -7.887 4.496 -9.760 1.00 0.71 C ATOM 1963 O GLN A 133 -7.131 5.402 -10.100 1.00 0.97 O ATOM 1964 CB GLN A 133 -10.042 4.308 -11.020 1.00 0.90 C ATOM 1965 CG GLN A 133 -10.792 3.564 -12.131 1.00 1.11 C ATOM 1966 CD GLN A 133 -12.282 3.865 -12.149 1.00 1.92 C ATOM 1967 OE1 GLN A 133 -12.817 4.297 -13.168 1.00 2.13 O ATOM 1968 NE2 GLN A 133 -12.980 3.572 -11.056 1.00 3.24 N ATOM 0 H GLN A 133 -9.568 2.218 -9.634 1.00 0.69 H new ATOM 0 HA GLN A 133 -8.081 3.694 -11.723 1.00 0.75 H new ATOM 0 HB2 GLN A 133 -10.617 4.269 -10.095 1.00 0.90 H new ATOM 0 HB3 GLN A 133 -9.936 5.360 -11.285 1.00 0.90 H new ATOM 0 HG2 GLN A 133 -10.361 3.833 -13.095 1.00 1.11 H new ATOM 0 HG3 GLN A 133 -10.646 2.491 -12.005 1.00 1.11 H new ATOM 0 HE21 GLN A 133 -12.504 3.215 -10.227 1.00 3.24 H new ATOM 0 HE22 GLN A 133 -13.991 3.704 -11.046 1.00 3.24 H new ATOM 1977 N GLU A 134 -8.096 4.165 -8.487 1.00 0.68 N ATOM 1978 CA GLU A 134 -7.403 4.731 -7.353 1.00 0.81 C ATOM 1979 C GLU A 134 -7.279 3.568 -6.366 1.00 0.76 C ATOM 1980 O GLU A 134 -8.069 2.618 -6.437 1.00 1.14 O ATOM 1981 CB GLU A 134 -8.177 5.938 -6.765 1.00 1.07 C ATOM 1982 CG GLU A 134 -8.343 7.127 -7.743 1.00 1.29 C ATOM 1983 CD GLU A 134 -8.822 8.423 -7.073 1.00 1.84 C ATOM 1984 OE1 GLU A 134 -9.751 8.310 -6.247 1.00 2.14 O ATOM 1985 OE2 GLU A 134 -8.279 9.515 -7.393 1.00 2.89 O ATOM 0 H GLU A 134 -8.785 3.463 -8.216 1.00 0.68 H new ATOM 0 HA GLU A 134 -6.425 5.137 -7.613 1.00 0.81 H new ATOM 0 HB2 GLU A 134 -9.165 5.602 -6.449 1.00 1.07 H new ATOM 0 HB3 GLU A 134 -7.658 6.287 -5.872 1.00 1.07 H new ATOM 0 HG2 GLU A 134 -7.389 7.315 -8.235 1.00 1.29 H new ATOM 0 HG3 GLU A 134 -9.054 6.848 -8.521 1.00 1.29 H new ATOM 1992 N VAL A 135 -6.304 3.636 -5.465 1.00 0.65 N ATOM 1993 CA VAL A 135 -6.266 2.837 -4.252 1.00 0.61 C ATOM 1994 C VAL A 135 -6.212 3.860 -3.120 1.00 0.71 C ATOM 1995 O VAL A 135 -5.582 4.908 -3.287 1.00 1.10 O ATOM 1996 CB VAL A 135 -5.119 1.796 -4.221 1.00 0.71 C ATOM 1997 CG1 VAL A 135 -5.232 0.763 -5.345 1.00 0.97 C ATOM 1998 CG2 VAL A 135 -3.683 2.328 -4.216 1.00 0.91 C ATOM 0 H VAL A 135 -5.504 4.261 -5.563 1.00 0.65 H new ATOM 0 HA VAL A 135 -7.143 2.196 -4.166 1.00 0.61 H new ATOM 0 HB VAL A 135 -5.280 1.347 -3.241 1.00 0.71 H new ATOM 0 HG11 VAL A 135 -4.403 0.058 -5.276 1.00 0.97 H new ATOM 0 HG12 VAL A 135 -6.175 0.225 -5.251 1.00 0.97 H new ATOM 0 HG13 VAL A 135 -5.198 1.270 -6.310 1.00 0.97 H new ATOM 0 HG21 VAL A 135 -2.985 1.491 -4.193 1.00 0.91 H new ATOM 0 HG22 VAL A 135 -3.511 2.920 -5.115 1.00 0.91 H new ATOM 0 HG23 VAL A 135 -3.529 2.952 -3.336 1.00 0.91 H new ATOM 2008 N ALA A 136 -6.933 3.600 -2.028 1.00 0.71 N ATOM 2009 CA ALA A 136 -7.131 4.531 -0.925 1.00 0.75 C ATOM 2010 C ALA A 136 -6.876 3.776 0.373 1.00 0.78 C ATOM 2011 O ALA A 136 -7.376 2.663 0.530 1.00 0.88 O ATOM 2012 CB ALA A 136 -8.559 5.080 -0.971 1.00 0.90 C ATOM 0 H ALA A 136 -7.408 2.708 -1.886 1.00 0.71 H new ATOM 0 HA ALA A 136 -6.446 5.376 -0.996 1.00 0.75 H new ATOM 0 HB1 ALA A 136 -8.708 5.777 -0.146 1.00 0.90 H new ATOM 0 HB2 ALA A 136 -8.719 5.598 -1.917 1.00 0.90 H new ATOM 0 HB3 ALA A 136 -9.268 4.257 -0.883 1.00 0.90 H new ATOM 2018 N GLY A 137 -6.035 4.315 1.255 1.00 0.76 N ATOM 2019 CA GLY A 137 -5.590 3.609 2.444 1.00 0.82 C ATOM 2020 C GLY A 137 -5.089 4.554 3.527 1.00 0.79 C ATOM 2021 O GLY A 137 -5.004 5.767 3.325 1.00 0.81 O ATOM 0 H GLY A 137 -5.646 5.253 1.161 1.00 0.76 H new ATOM 0 HA2 GLY A 137 -6.413 3.013 2.838 1.00 0.82 H new ATOM 0 HA3 GLY A 137 -4.794 2.915 2.174 1.00 0.82 H new ATOM 2025 N SER A 138 -4.696 3.974 4.660 1.00 0.82 N ATOM 2026 CA SER A 138 -3.903 4.650 5.674 1.00 0.81 C ATOM 2027 C SER A 138 -2.773 3.715 6.104 1.00 0.71 C ATOM 2028 O SER A 138 -2.959 2.496 6.138 1.00 0.73 O ATOM 2029 CB SER A 138 -4.793 5.067 6.848 1.00 0.94 C ATOM 2030 OG SER A 138 -5.575 3.974 7.296 1.00 2.24 O ATOM 0 H SER A 138 -4.925 3.009 4.898 1.00 0.82 H new ATOM 0 HA SER A 138 -3.463 5.564 5.275 1.00 0.81 H new ATOM 0 HB2 SER A 138 -4.175 5.438 7.666 1.00 0.94 H new ATOM 0 HB3 SER A 138 -5.444 5.886 6.544 1.00 0.94 H new ATOM 0 HG SER A 138 -6.136 4.259 8.047 1.00 2.24 H new ATOM 2036 N ALA A 139 -1.599 4.280 6.403 1.00 0.73 N ATOM 2037 CA ALA A 139 -0.462 3.557 6.960 1.00 0.65 C ATOM 2038 C ALA A 139 -0.120 4.115 8.333 1.00 0.70 C ATOM 2039 O ALA A 139 -0.240 5.322 8.525 1.00 0.83 O ATOM 2040 CB ALA A 139 0.749 3.670 6.029 1.00 0.78 C ATOM 0 H ALA A 139 -1.414 5.273 6.260 1.00 0.73 H new ATOM 0 HA ALA A 139 -0.727 2.504 7.058 1.00 0.65 H new ATOM 0 HB1 ALA A 139 1.590 3.125 6.458 1.00 0.78 H new ATOM 0 HB2 ALA A 139 0.501 3.246 5.056 1.00 0.78 H new ATOM 0 HB3 ALA A 139 1.019 4.719 5.909 1.00 0.78 H new ATOM 2046 N GLU A 140 0.336 3.250 9.252 1.00 0.74 N ATOM 2047 CA GLU A 140 0.969 3.683 10.494 1.00 0.86 C ATOM 2048 C GLU A 140 2.393 3.150 10.629 1.00 0.91 C ATOM 2049 O GLU A 140 2.634 2.008 11.038 1.00 1.20 O ATOM 2050 CB GLU A 140 0.126 3.402 11.738 1.00 1.04 C ATOM 2051 CG GLU A 140 -0.302 1.946 11.903 1.00 1.60 C ATOM 2052 CD GLU A 140 -0.686 1.685 13.353 1.00 1.99 C ATOM 2053 OE1 GLU A 140 -1.897 1.629 13.638 1.00 2.43 O ATOM 2054 OE2 GLU A 140 0.271 1.597 14.160 1.00 2.93 O ATOM 0 H GLU A 140 0.274 2.237 9.150 1.00 0.74 H new ATOM 0 HA GLU A 140 1.037 4.769 10.427 1.00 0.86 H new ATOM 0 HB2 GLU A 140 0.693 3.702 12.620 1.00 1.04 H new ATOM 0 HB3 GLU A 140 -0.766 4.027 11.704 1.00 1.04 H new ATOM 0 HG2 GLU A 140 -1.146 1.729 11.248 1.00 1.60 H new ATOM 0 HG3 GLU A 140 0.510 1.282 11.607 1.00 1.60 H new ATOM 2061 N VAL A 141 3.347 4.038 10.373 1.00 0.88 N ATOM 2062 CA VAL A 141 4.762 3.828 10.644 1.00 0.96 C ATOM 2063 C VAL A 141 5.160 4.741 11.799 1.00 1.00 C ATOM 2064 O VAL A 141 4.467 5.704 12.094 1.00 1.07 O ATOM 2065 CB VAL A 141 5.621 4.010 9.382 1.00 1.03 C ATOM 2066 CG1 VAL A 141 4.948 3.317 8.196 1.00 1.71 C ATOM 2067 CG2 VAL A 141 5.945 5.464 9.038 1.00 2.55 C ATOM 0 H VAL A 141 3.150 4.949 9.959 1.00 0.88 H new ATOM 0 HA VAL A 141 4.944 2.796 10.943 1.00 0.96 H new ATOM 0 HB VAL A 141 6.583 3.546 9.601 1.00 1.03 H new ATOM 0 HG11 VAL A 141 5.559 3.448 7.303 1.00 1.71 H new ATOM 0 HG12 VAL A 141 4.840 2.254 8.409 1.00 1.71 H new ATOM 0 HG13 VAL A 141 3.964 3.755 8.029 1.00 1.71 H new ATOM 0 HG21 VAL A 141 6.554 5.497 8.134 1.00 2.55 H new ATOM 0 HG22 VAL A 141 5.019 6.014 8.872 1.00 2.55 H new ATOM 0 HG23 VAL A 141 6.494 5.919 9.862 1.00 2.55 H new ATOM 2077 N LYS A 142 6.225 4.409 12.521 1.00 1.51 N ATOM 2078 CA LYS A 142 6.626 5.183 13.685 1.00 1.62 C ATOM 2079 C LYS A 142 8.097 4.891 13.932 1.00 1.76 C ATOM 2080 O LYS A 142 8.458 4.334 14.966 1.00 2.17 O ATOM 2081 CB LYS A 142 5.721 4.863 14.891 1.00 1.70 C ATOM 2082 CG LYS A 142 5.757 3.381 15.304 1.00 1.66 C ATOM 2083 CD LYS A 142 4.374 2.703 15.339 1.00 1.90 C ATOM 2084 CE LYS A 142 3.730 2.692 13.944 1.00 3.62 C ATOM 2085 NZ LYS A 142 2.794 1.576 13.722 1.00 4.28 N ATOM 0 H LYS A 142 6.824 3.609 12.319 1.00 1.51 H new ATOM 0 HA LYS A 142 6.505 6.254 13.519 1.00 1.62 H new ATOM 0 HB2 LYS A 142 6.027 5.476 15.738 1.00 1.70 H new ATOM 0 HB3 LYS A 142 4.695 5.141 14.650 1.00 1.70 H new ATOM 0 HG2 LYS A 142 6.399 2.837 14.611 1.00 1.66 H new ATOM 0 HG3 LYS A 142 6.214 3.301 16.290 1.00 1.66 H new ATOM 0 HD2 LYS A 142 4.475 1.681 15.705 1.00 1.90 H new ATOM 0 HD3 LYS A 142 3.725 3.229 16.039 1.00 1.90 H new ATOM 0 HE2 LYS A 142 3.200 3.632 13.793 1.00 3.62 H new ATOM 0 HE3 LYS A 142 4.518 2.646 13.192 1.00 3.62 H new ATOM 0 HZ1 LYS A 142 2.572 1.505 12.708 1.00 4.28 H new ATOM 0 HZ2 LYS A 142 3.230 0.688 14.044 1.00 4.28 H new ATOM 0 HZ3 LYS A 142 1.918 1.746 14.257 1.00 4.28 H new ATOM 2099 N THR A 143 8.934 5.210 12.941 1.00 1.99 N ATOM 2100 CA THR A 143 10.364 4.944 13.126 1.00 2.24 C ATOM 2101 C THR A 143 10.955 6.086 13.947 1.00 2.14 C ATOM 2102 O THR A 143 10.245 7.024 14.313 1.00 1.91 O ATOM 2103 CB THR A 143 11.114 4.635 11.811 1.00 2.38 C ATOM 2104 OG1 THR A 143 12.291 3.896 12.085 1.00 2.92 O ATOM 2105 CG2 THR A 143 11.565 5.836 10.993 1.00 3.74 C ATOM 0 H THR A 143 8.669 5.629 12.050 1.00 1.99 H new ATOM 0 HA THR A 143 10.494 4.017 13.684 1.00 2.24 H new ATOM 0 HB THR A 143 10.371 4.094 11.225 1.00 2.38 H new ATOM 0 HG1 THR A 143 12.855 3.870 11.284 1.00 2.92 H new ATOM 0 HG21 THR A 143 12.079 5.492 10.095 1.00 3.74 H new ATOM 0 HG22 THR A 143 10.696 6.430 10.709 1.00 3.74 H new ATOM 0 HG23 THR A 143 12.244 6.447 11.588 1.00 3.74 H new ATOM 2113 N VAL A 144 12.271 6.054 14.160 1.00 2.38 N ATOM 2114 CA VAL A 144 13.018 7.111 14.844 1.00 2.25 C ATOM 2115 C VAL A 144 12.704 8.498 14.254 1.00 1.95 C ATOM 2116 O VAL A 144 12.853 9.515 14.926 1.00 1.98 O ATOM 2117 CB VAL A 144 14.525 6.785 14.782 1.00 2.51 C ATOM 2118 CG1 VAL A 144 15.376 7.865 15.464 1.00 2.75 C ATOM 2119 CG2 VAL A 144 14.816 5.441 15.468 1.00 2.69 C ATOM 0 H VAL A 144 12.859 5.278 13.856 1.00 2.38 H new ATOM 0 HA VAL A 144 12.710 7.149 15.889 1.00 2.25 H new ATOM 0 HB VAL A 144 14.789 6.739 13.725 1.00 2.51 H new ATOM 0 HG11 VAL A 144 16.430 7.594 15.396 1.00 2.75 H new ATOM 0 HG12 VAL A 144 15.215 8.822 14.968 1.00 2.75 H new ATOM 0 HG13 VAL A 144 15.089 7.946 16.512 1.00 2.75 H new ATOM 0 HG21 VAL A 144 15.884 5.229 15.414 1.00 2.69 H new ATOM 0 HG22 VAL A 144 14.508 5.492 16.513 1.00 2.69 H new ATOM 0 HG23 VAL A 144 14.262 4.648 14.965 1.00 2.69 H new ATOM 2129 N ASN A 145 12.263 8.536 12.993 1.00 1.84 N ATOM 2130 CA ASN A 145 11.810 9.729 12.299 1.00 1.77 C ATOM 2131 C ASN A 145 10.787 9.332 11.234 1.00 1.88 C ATOM 2132 O ASN A 145 11.001 9.570 10.050 1.00 2.12 O ATOM 2133 CB ASN A 145 12.986 10.561 11.756 1.00 2.01 C ATOM 2134 CG ASN A 145 13.890 9.870 10.731 1.00 2.46 C ATOM 2135 OD1 ASN A 145 14.060 10.367 9.618 1.00 3.66 O ATOM 2136 ND2 ASN A 145 14.558 8.790 11.130 1.00 2.28 N ATOM 0 H ASN A 145 12.213 7.700 12.411 1.00 1.84 H new ATOM 0 HA ASN A 145 11.309 10.394 13.002 1.00 1.77 H new ATOM 0 HB2 ASN A 145 12.584 11.466 11.302 1.00 2.01 H new ATOM 0 HB3 ASN A 145 13.602 10.874 12.599 1.00 2.01 H new ATOM 0 HD21 ASN A 145 15.234 8.349 10.506 1.00 2.28 H new ATOM 0 HD22 ASN A 145 14.393 8.403 12.059 1.00 2.28 H new ATOM 2143 N GLY A 146 9.681 8.700 11.657 1.00 1.79 N ATOM 2144 CA GLY A 146 8.610 8.245 10.769 1.00 1.93 C ATOM 2145 C GLY A 146 7.246 8.471 11.412 1.00 1.29 C ATOM 2146 O GLY A 146 7.156 8.617 12.629 1.00 1.52 O ATOM 0 H GLY A 146 9.507 8.490 12.640 1.00 1.79 H new ATOM 0 HA2 GLY A 146 8.664 8.781 9.821 1.00 1.93 H new ATOM 0 HA3 GLY A 146 8.741 7.186 10.545 1.00 1.93 H new ATOM 2150 N ILE A 147 6.200 8.538 10.583 1.00 0.71 N ATOM 2151 CA ILE A 147 4.975 9.246 10.893 1.00 0.63 C ATOM 2152 C ILE A 147 3.777 8.296 11.000 1.00 0.70 C ATOM 2153 O ILE A 147 3.491 7.550 10.066 1.00 1.14 O ATOM 2154 CB ILE A 147 4.779 10.259 9.753 1.00 0.85 C ATOM 2155 CG1 ILE A 147 6.009 11.172 9.596 1.00 2.32 C ATOM 2156 CG2 ILE A 147 3.543 11.116 9.962 1.00 2.32 C ATOM 2157 CD1 ILE A 147 6.767 10.819 8.316 1.00 1.74 C ATOM 0 H ILE A 147 6.190 8.092 9.666 1.00 0.71 H new ATOM 0 HA ILE A 147 5.044 9.739 11.863 1.00 0.63 H new ATOM 0 HB ILE A 147 4.647 9.675 8.842 1.00 0.85 H new ATOM 0 HG12 ILE A 147 5.695 12.215 9.566 1.00 2.32 H new ATOM 0 HG13 ILE A 147 6.666 11.061 10.459 1.00 2.32 H new ATOM 0 HG21 ILE A 147 3.442 11.818 9.134 1.00 2.32 H new ATOM 0 HG22 ILE A 147 2.661 10.477 10.006 1.00 2.32 H new ATOM 0 HG23 ILE A 147 3.637 11.669 10.897 1.00 2.32 H new ATOM 0 HD11 ILE A 147 7.635 11.471 8.215 1.00 1.74 H new ATOM 0 HD12 ILE A 147 7.096 9.781 8.363 1.00 1.74 H new ATOM 0 HD13 ILE A 147 6.111 10.953 7.456 1.00 1.74 H new ATOM 2169 N ARG A 148 3.037 8.344 12.115 1.00 0.66 N ATOM 2170 CA ARG A 148 1.892 7.465 12.308 1.00 0.70 C ATOM 2171 C ARG A 148 0.762 7.826 11.348 1.00 0.80 C ATOM 2172 O ARG A 148 0.178 6.955 10.719 1.00 1.19 O ATOM 2173 CB ARG A 148 1.420 7.507 13.766 1.00 0.88 C ATOM 2174 CG ARG A 148 0.444 6.351 14.024 1.00 1.37 C ATOM 2175 CD ARG A 148 -0.521 6.677 15.163 1.00 1.62 C ATOM 2176 NE ARG A 148 0.165 6.784 16.459 1.00 2.27 N ATOM 2177 CZ ARG A 148 -0.464 6.985 17.629 1.00 3.21 C ATOM 2178 NH1 ARG A 148 -1.790 7.164 17.646 1.00 2.77 N ATOM 2179 NH2 ARG A 148 0.232 7.000 18.772 1.00 5.27 N ATOM 0 H ARG A 148 3.215 8.982 12.891 1.00 0.66 H new ATOM 0 HA ARG A 148 2.201 6.444 12.085 1.00 0.70 H new ATOM 0 HB2 ARG A 148 2.275 7.432 14.438 1.00 0.88 H new ATOM 0 HB3 ARG A 148 0.934 8.460 13.974 1.00 0.88 H new ATOM 0 HG2 ARG A 148 -0.121 6.141 13.116 1.00 1.37 H new ATOM 0 HG3 ARG A 148 1.004 5.448 14.267 1.00 1.37 H new ATOM 0 HD2 ARG A 148 -1.033 7.615 14.946 1.00 1.62 H new ATOM 0 HD3 ARG A 148 -1.286 5.903 15.222 1.00 1.62 H new ATOM 0 HE ARG A 148 1.182 6.700 16.471 1.00 2.27 H new ATOM 0 HH11 ARG A 148 -2.318 7.147 16.774 1.00 2.77 H new ATOM 0 HH12 ARG A 148 -2.273 7.317 18.531 1.00 2.77 H new ATOM 0 HH21 ARG A 148 1.242 6.859 18.756 1.00 5.27 H new ATOM 0 HH22 ARG A 148 -0.248 7.153 19.659 1.00 5.27 H new ATOM 2193 N HIS A 149 0.401 9.102 11.262 1.00 0.82 N ATOM 2194 CA HIS A 149 -0.707 9.506 10.415 1.00 0.99 C ATOM 2195 C HIS A 149 -0.204 9.664 8.981 1.00 0.89 C ATOM 2196 O HIS A 149 0.072 10.785 8.560 1.00 0.99 O ATOM 2197 CB HIS A 149 -1.350 10.773 10.991 1.00 1.22 C ATOM 2198 CG HIS A 149 -2.059 10.500 12.294 1.00 1.26 C ATOM 2199 ND1 HIS A 149 -3.381 10.142 12.433 1.00 1.85 N ATOM 2200 CD2 HIS A 149 -1.472 10.391 13.528 1.00 1.90 C ATOM 2201 CE1 HIS A 149 -3.583 9.832 13.725 1.00 1.72 C ATOM 2202 NE2 HIS A 149 -2.447 9.957 14.432 1.00 1.49 N ATOM 0 H HIS A 149 0.856 9.864 11.764 1.00 0.82 H new ATOM 0 HA HIS A 149 -1.490 8.748 10.391 1.00 0.99 H new ATOM 0 HB2 HIS A 149 -0.583 11.531 11.147 1.00 1.22 H new ATOM 0 HB3 HIS A 149 -2.059 11.181 10.270 1.00 1.22 H new ATOM 0 HD2 HIS A 149 -0.439 10.603 13.761 1.00 1.90 H new ATOM 0 HE1 HIS A 149 -4.531 9.524 14.140 1.00 1.72 H new ATOM 0 HE2 HIS A 149 -2.321 9.773 15.427 1.00 1.49 H new ATOM 2210 N ILE A 150 -0.078 8.551 8.247 1.00 0.82 N ATOM 2211 CA ILE A 150 0.194 8.561 6.811 1.00 0.74 C ATOM 2212 C ILE A 150 -1.092 8.223 6.050 1.00 0.79 C ATOM 2213 O ILE A 150 -1.686 7.163 6.264 1.00 1.03 O ATOM 2214 CB ILE A 150 1.360 7.616 6.463 1.00 0.82 C ATOM 2215 CG1 ILE A 150 2.691 8.272 6.870 1.00 1.25 C ATOM 2216 CG2 ILE A 150 1.392 7.284 4.964 1.00 1.05 C ATOM 2217 CD1 ILE A 150 3.885 7.322 6.746 1.00 1.46 C ATOM 0 H ILE A 150 -0.163 7.613 8.639 1.00 0.82 H new ATOM 0 HA ILE A 150 0.512 9.557 6.503 1.00 0.74 H new ATOM 0 HB ILE A 150 1.214 6.686 7.012 1.00 0.82 H new ATOM 0 HG12 ILE A 150 2.864 9.149 6.246 1.00 1.25 H new ATOM 0 HG13 ILE A 150 2.618 8.623 7.899 1.00 1.25 H new ATOM 0 HG21 ILE A 150 2.228 6.615 4.757 1.00 1.05 H new ATOM 0 HG22 ILE A 150 0.459 6.798 4.679 1.00 1.05 H new ATOM 0 HG23 ILE A 150 1.512 8.203 4.390 1.00 1.05 H new ATOM 0 HD11 ILE A 150 4.795 7.841 7.047 1.00 1.46 H new ATOM 0 HD12 ILE A 150 3.730 6.457 7.391 1.00 1.46 H new ATOM 0 HD13 ILE A 150 3.981 6.991 5.712 1.00 1.46 H new ATOM 2229 N GLY A 151 -1.501 9.116 5.143 1.00 0.68 N ATOM 2230 CA GLY A 151 -2.613 8.916 4.228 1.00 0.80 C ATOM 2231 C GLY A 151 -2.089 8.315 2.926 1.00 0.67 C ATOM 2232 O GLY A 151 -1.042 8.730 2.428 1.00 0.84 O ATOM 0 H GLY A 151 -1.049 10.023 5.027 1.00 0.68 H new ATOM 0 HA2 GLY A 151 -3.354 8.254 4.676 1.00 0.80 H new ATOM 0 HA3 GLY A 151 -3.112 9.865 4.030 1.00 0.80 H new ATOM 2236 N LEU A 152 -2.798 7.316 2.390 1.00 0.61 N ATOM 2237 CA LEU A 152 -2.373 6.540 1.236 1.00 0.75 C ATOM 2238 C LEU A 152 -3.371 6.783 0.101 1.00 0.62 C ATOM 2239 O LEU A 152 -4.559 6.515 0.278 1.00 0.64 O ATOM 2240 CB LEU A 152 -2.336 5.072 1.675 1.00 1.14 C ATOM 2241 CG LEU A 152 -1.483 4.109 0.852 1.00 0.81 C ATOM 2242 CD1 LEU A 152 -1.961 4.007 -0.600 1.00 0.77 C ATOM 2243 CD2 LEU A 152 0.001 4.464 0.932 1.00 0.90 C ATOM 0 H LEU A 152 -3.702 7.023 2.760 1.00 0.61 H new ATOM 0 HA LEU A 152 -1.386 6.825 0.873 1.00 0.75 H new ATOM 0 HB2 LEU A 152 -1.981 5.038 2.705 1.00 1.14 H new ATOM 0 HB3 LEU A 152 -3.359 4.696 1.678 1.00 1.14 H new ATOM 0 HG LEU A 152 -1.608 3.121 1.294 1.00 0.81 H new ATOM 0 HD11 LEU A 152 -1.323 3.311 -1.145 1.00 0.77 H new ATOM 0 HD12 LEU A 152 -2.990 3.648 -0.620 1.00 0.77 H new ATOM 0 HD13 LEU A 152 -1.910 4.989 -1.070 1.00 0.77 H new ATOM 0 HD21 LEU A 152 0.577 3.757 0.334 1.00 0.90 H new ATOM 0 HD22 LEU A 152 0.155 5.473 0.549 1.00 0.90 H new ATOM 0 HD23 LEU A 152 0.331 4.415 1.970 1.00 0.90 H new ATOM 2255 N ALA A 153 -2.914 7.300 -1.045 1.00 0.71 N ATOM 2256 CA ALA A 153 -3.771 7.617 -2.184 1.00 0.74 C ATOM 2257 C ALA A 153 -3.020 7.395 -3.501 1.00 0.60 C ATOM 2258 O ALA A 153 -1.918 7.924 -3.669 1.00 0.68 O ATOM 2259 CB ALA A 153 -4.248 9.068 -2.073 1.00 0.99 C ATOM 0 H ALA A 153 -1.929 7.511 -1.205 1.00 0.71 H new ATOM 0 HA ALA A 153 -4.637 6.955 -2.176 1.00 0.74 H new ATOM 0 HB1 ALA A 153 -4.888 9.307 -2.922 1.00 0.99 H new ATOM 0 HB2 ALA A 153 -4.810 9.197 -1.148 1.00 0.99 H new ATOM 0 HB3 ALA A 153 -3.386 9.735 -2.069 1.00 0.99 H new ATOM 2265 N ALA A 154 -3.617 6.627 -4.422 1.00 0.79 N ATOM 2266 CA ALA A 154 -3.109 6.379 -5.773 1.00 0.68 C ATOM 2267 C ALA A 154 -4.071 6.874 -6.838 1.00 0.67 C ATOM 2268 O ALA A 154 -5.252 7.031 -6.545 1.00 0.80 O ATOM 2269 CB ALA A 154 -2.909 4.883 -5.981 1.00 0.85 C ATOM 0 H ALA A 154 -4.497 6.146 -4.238 1.00 0.79 H new ATOM 0 HA ALA A 154 -2.167 6.919 -5.867 1.00 0.68 H new ATOM 0 HB1 ALA A 154 -2.531 4.703 -6.987 1.00 0.85 H new ATOM 0 HB2 ALA A 154 -2.192 4.507 -5.251 1.00 0.85 H new ATOM 0 HB3 ALA A 154 -3.861 4.367 -5.853 1.00 0.85 H new ATOM 2275 N LYS A 155 -3.560 7.094 -8.058 1.00 0.70 N ATOM 2276 CA LYS A 155 -4.325 7.521 -9.232 1.00 0.76 C ATOM 2277 C LYS A 155 -3.764 6.845 -10.468 1.00 0.92 C ATOM 2278 O LYS A 155 -2.558 6.928 -10.706 1.00 1.31 O ATOM 2279 CB LYS A 155 -4.300 9.043 -9.407 1.00 1.21 C ATOM 2280 CG LYS A 155 -4.856 9.621 -8.120 1.00 2.06 C ATOM 2281 CD LYS A 155 -5.388 11.040 -8.251 1.00 2.28 C ATOM 2282 CE LYS A 155 -5.994 11.436 -6.895 1.00 3.90 C ATOM 2283 NZ LYS A 155 -7.360 11.974 -7.050 1.00 4.20 N ATOM 0 H LYS A 155 -2.567 6.974 -8.258 1.00 0.70 H new ATOM 0 HA LYS A 155 -5.365 7.228 -9.086 1.00 0.76 H new ATOM 0 HB2 LYS A 155 -3.286 9.398 -9.588 1.00 1.21 H new ATOM 0 HB3 LYS A 155 -4.902 9.347 -10.263 1.00 1.21 H new ATOM 0 HG2 LYS A 155 -5.659 8.976 -7.762 1.00 2.06 H new ATOM 0 HG3 LYS A 155 -4.074 9.607 -7.361 1.00 2.06 H new ATOM 0 HD2 LYS A 155 -4.587 11.725 -8.527 1.00 2.28 H new ATOM 0 HD3 LYS A 155 -6.140 11.096 -9.038 1.00 2.28 H new ATOM 0 HE2 LYS A 155 -6.016 10.567 -6.237 1.00 3.90 H new ATOM 0 HE3 LYS A 155 -5.360 12.182 -6.416 1.00 3.90 H new ATOM 0 HZ1 LYS A 155 -7.707 12.310 -6.129 1.00 4.20 H new ATOM 0 HZ2 LYS A 155 -7.347 12.765 -7.725 1.00 4.20 H new ATOM 0 HZ3 LYS A 155 -7.989 11.226 -7.406 1.00 4.20 H new ATOM 2297 N GLN A 156 -4.630 6.121 -11.179 1.00 1.03 N ATOM 2298 CA GLN A 156 -4.207 5.015 -11.996 1.00 1.60 C ATOM 2299 C GLN A 156 -4.897 5.086 -13.357 1.00 2.44 C ATOM 2300 O GLN A 156 -4.173 4.999 -14.371 1.00 3.03 O ATOM 2301 CB GLN A 156 -4.575 3.731 -11.246 1.00 2.37 C ATOM 2302 CG GLN A 156 -4.203 3.829 -9.755 1.00 2.95 C ATOM 2303 CD GLN A 156 -4.575 2.626 -8.912 1.00 3.56 C ATOM 2304 OE1 GLN A 156 -4.138 2.523 -7.773 1.00 5.20 O ATOM 2305 NE2 GLN A 156 -5.418 1.730 -9.406 1.00 2.79 N ATOM 0 H GLN A 156 -5.635 6.294 -11.196 1.00 1.03 H new ATOM 0 HA GLN A 156 -3.133 5.040 -12.177 1.00 1.60 H new ATOM 0 HB2 GLN A 156 -5.644 3.543 -11.345 1.00 2.37 H new ATOM 0 HB3 GLN A 156 -4.059 2.883 -11.697 1.00 2.37 H new ATOM 0 HG2 GLN A 156 -3.128 3.988 -9.676 1.00 2.95 H new ATOM 0 HG3 GLN A 156 -4.687 4.710 -9.334 1.00 2.95 H new ATOM 0 HE21 GLN A 156 -5.772 1.833 -10.357 1.00 2.79 H new ATOM 0 HE22 GLN A 156 -5.713 0.938 -8.835 1.00 2.79 H new TER 2314 GLN A 156