USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 952 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 43 HIS : no HD1:sc= -0.0472 K(o=-0.13,f=-0.88) USER MOD Set 1.2: A 100 MET CE :methyl -177:sc= -0.0857 (180deg=-0.129) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.26 K(o=-1.3,f=-6.3!) USER MOD Single : A 10 SER OG : rot 59:sc= 0.071 USER MOD Single : A 15 SER OG : rot 180:sc= -0.253 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.538 K(o=-0.54,f=-2.2!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 30 SER OG : rot 18:sc= 1.28 USER MOD Single : A 35 GLN : amide:sc= -0.891 X(o=-0.89,f=-0.89) USER MOD Single : A 41 CYS SG : rot 23:sc= 0.048 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 97:sc= -3.95! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 44:sc= 0.338 USER MOD Single : A 55 THR OG1 : rot -39:sc= -0.433! USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -2.01 USER MOD Single : A 70 ASN : amide:sc= -0.366 K(o=-0.37,f=-9.1!) USER MOD Single : A 74 THR OG1 : rot 31:sc= 0.36 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 86 SER OG : rot -83:sc= 0.011 USER MOD Single : A 91 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.4!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00333 USER MOD Single : A 106 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.5) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.38) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 119 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 120 HIS : no HE2:sc= -0.122 X(o=-0.12,f=-0.33) USER MOD Single : A 121 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-1.6) USER MOD Single : A 122 HIS : no HD1:sc= -0.251 K(o=-0.25,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 87.117 -38.380 38.737 1.00 0.00 N ATOM 2 CA MET A 1 86.078 -38.067 39.762 1.00 0.00 C ATOM 3 C MET A 1 86.418 -36.757 40.475 1.00 0.00 C ATOM 4 O MET A 1 87.349 -36.686 41.253 1.00 0.00 O ATOM 5 CB MET A 1 86.124 -39.240 40.742 1.00 0.00 C ATOM 6 CG MET A 1 84.956 -39.130 41.724 1.00 0.00 C ATOM 7 SD MET A 1 84.449 -40.787 42.246 1.00 0.00 S ATOM 8 CE MET A 1 82.988 -40.921 41.187 1.00 0.00 C ATOM 0 H1 MET A 1 86.876 -39.272 38.259 1.00 0.00 H new ATOM 0 H2 MET A 1 87.157 -37.612 38.037 1.00 0.00 H new ATOM 0 H3 MET A 1 88.044 -38.475 39.200 1.00 0.00 H new ATOM 0 HA MET A 1 85.088 -37.941 39.323 1.00 0.00 H new ATOM 0 HB2 MET A 1 86.069 -40.184 40.199 1.00 0.00 H new ATOM 0 HB3 MET A 1 87.070 -39.238 41.284 1.00 0.00 H new ATOM 0 HG2 MET A 1 85.250 -38.538 42.591 1.00 0.00 H new ATOM 0 HG3 MET A 1 84.119 -38.613 41.254 1.00 0.00 H new ATOM 0 HE1 MET A 1 82.509 -41.887 41.349 1.00 0.00 H new ATOM 0 HE2 MET A 1 82.287 -40.123 41.431 1.00 0.00 H new ATOM 0 HE3 MET A 1 83.287 -40.835 40.142 1.00 0.00 H new ATOM 17 N GLU A 2 85.669 -35.717 40.215 1.00 0.00 N ATOM 18 CA GLU A 2 85.947 -34.410 40.878 1.00 0.00 C ATOM 19 C GLU A 2 84.655 -33.819 41.447 1.00 0.00 C ATOM 20 O GLU A 2 84.603 -33.404 42.589 1.00 0.00 O ATOM 21 CB GLU A 2 86.503 -33.515 39.769 1.00 0.00 C ATOM 22 CG GLU A 2 87.606 -32.620 40.340 1.00 0.00 C ATOM 23 CD GLU A 2 88.170 -31.733 39.229 1.00 0.00 C ATOM 24 OE1 GLU A 2 88.424 -32.253 38.155 1.00 0.00 O ATOM 25 OE2 GLU A 2 88.340 -30.549 39.471 1.00 0.00 O ATOM 0 H GLU A 2 84.877 -35.717 39.572 1.00 0.00 H new ATOM 0 HA GLU A 2 86.643 -34.509 41.711 1.00 0.00 H new ATOM 0 HB2 GLU A 2 86.899 -34.126 38.958 1.00 0.00 H new ATOM 0 HB3 GLU A 2 85.706 -32.903 39.347 1.00 0.00 H new ATOM 0 HG2 GLU A 2 87.208 -32.003 41.145 1.00 0.00 H new ATOM 0 HG3 GLU A 2 88.399 -33.232 40.770 1.00 0.00 H new ATOM 32 N TYR A 3 83.613 -33.780 40.661 1.00 0.00 N ATOM 33 CA TYR A 3 82.323 -33.216 41.154 1.00 0.00 C ATOM 34 C TYR A 3 81.198 -34.237 40.972 1.00 0.00 C ATOM 35 O TYR A 3 81.334 -35.203 40.246 1.00 0.00 O ATOM 36 CB TYR A 3 82.072 -31.982 40.285 1.00 0.00 C ATOM 37 CG TYR A 3 82.520 -30.744 41.024 1.00 0.00 C ATOM 38 CD1 TYR A 3 81.624 -30.060 41.856 1.00 0.00 C ATOM 39 CD2 TYR A 3 83.833 -30.279 40.878 1.00 0.00 C ATOM 40 CE1 TYR A 3 82.042 -28.913 42.541 1.00 0.00 C ATOM 41 CE2 TYR A 3 84.249 -29.130 41.562 1.00 0.00 C ATOM 42 CZ TYR A 3 83.354 -28.447 42.393 1.00 0.00 C ATOM 43 OH TYR A 3 83.764 -27.317 43.069 1.00 0.00 O ATOM 0 H TYR A 3 83.599 -34.115 39.698 1.00 0.00 H new ATOM 0 HA TYR A 3 82.359 -32.967 42.215 1.00 0.00 H new ATOM 0 HB2 TYR A 3 82.613 -32.072 39.343 1.00 0.00 H new ATOM 0 HB3 TYR A 3 81.013 -31.908 40.038 1.00 0.00 H new ATOM 0 HD1 TYR A 3 80.611 -30.418 41.969 1.00 0.00 H new ATOM 0 HD2 TYR A 3 84.525 -30.807 40.238 1.00 0.00 H new ATOM 0 HE1 TYR A 3 81.352 -28.387 43.184 1.00 0.00 H new ATOM 0 HE2 TYR A 3 85.261 -28.771 41.448 1.00 0.00 H new ATOM 0 HH TYR A 3 84.702 -27.131 42.856 1.00 0.00 H new ATOM 53 N LEU A 4 80.086 -34.033 41.627 1.00 0.00 N ATOM 54 CA LEU A 4 78.950 -34.991 41.495 1.00 0.00 C ATOM 55 C LEU A 4 78.390 -34.950 40.070 1.00 0.00 C ATOM 56 O LEU A 4 77.995 -35.958 39.519 1.00 0.00 O ATOM 57 CB LEU A 4 77.902 -34.509 42.496 1.00 0.00 C ATOM 58 CG LEU A 4 76.750 -35.513 42.553 1.00 0.00 C ATOM 59 CD1 LEU A 4 77.208 -36.771 43.295 1.00 0.00 C ATOM 60 CD2 LEU A 4 75.567 -34.889 43.296 1.00 0.00 C ATOM 0 H LEU A 4 79.915 -33.243 42.249 1.00 0.00 H new ATOM 0 HA LEU A 4 79.253 -36.020 41.690 1.00 0.00 H new ATOM 0 HB2 LEU A 4 78.351 -34.398 43.483 1.00 0.00 H new ATOM 0 HB3 LEU A 4 77.529 -33.528 42.203 1.00 0.00 H new ATOM 0 HG LEU A 4 76.447 -35.776 41.540 1.00 0.00 H new ATOM 0 HD11 LEU A 4 76.388 -37.488 43.337 1.00 0.00 H new ATOM 0 HD12 LEU A 4 78.053 -37.216 42.769 1.00 0.00 H new ATOM 0 HD13 LEU A 4 77.510 -36.506 44.308 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.745 -35.604 43.337 1.00 0.00 H new ATOM 0 HD22 LEU A 4 75.871 -34.627 44.309 1.00 0.00 H new ATOM 0 HD23 LEU A 4 75.241 -33.991 42.771 1.00 0.00 H new ATOM 72 N SER A 5 78.357 -33.789 39.471 1.00 0.00 N ATOM 73 CA SER A 5 77.823 -33.678 38.082 1.00 0.00 C ATOM 74 C SER A 5 78.568 -32.581 37.315 1.00 0.00 C ATOM 75 O SER A 5 78.725 -31.475 37.794 1.00 0.00 O ATOM 76 CB SER A 5 76.348 -33.312 38.251 1.00 0.00 C ATOM 77 OG SER A 5 75.551 -34.213 37.492 1.00 0.00 O ATOM 0 H SER A 5 78.677 -32.913 39.884 1.00 0.00 H new ATOM 0 HA SER A 5 77.949 -34.601 37.516 1.00 0.00 H new ATOM 0 HB2 SER A 5 76.068 -33.358 39.303 1.00 0.00 H new ATOM 0 HB3 SER A 5 76.175 -32.288 37.920 1.00 0.00 H new ATOM 0 HG SER A 5 74.605 -33.983 37.599 1.00 0.00 H new ATOM 83 N ALA A 6 79.023 -32.879 36.127 1.00 0.00 N ATOM 84 CA ALA A 6 79.755 -31.855 35.327 1.00 0.00 C ATOM 85 C ALA A 6 78.888 -31.362 34.161 1.00 0.00 C ATOM 86 O ALA A 6 79.294 -30.509 33.396 1.00 0.00 O ATOM 87 CB ALA A 6 80.996 -32.577 34.802 1.00 0.00 C ATOM 0 H ALA A 6 78.919 -33.788 35.676 1.00 0.00 H new ATOM 0 HA ALA A 6 80.011 -30.978 35.921 1.00 0.00 H new ATOM 0 HB1 ALA A 6 81.590 -31.889 34.201 1.00 0.00 H new ATOM 0 HB2 ALA A 6 81.592 -32.933 35.642 1.00 0.00 H new ATOM 0 HB3 ALA A 6 80.691 -33.425 34.188 1.00 0.00 H new ATOM 93 N LEU A 7 77.699 -31.889 34.019 1.00 0.00 N ATOM 94 CA LEU A 7 76.814 -31.446 32.903 1.00 0.00 C ATOM 95 C LEU A 7 75.343 -31.619 33.293 1.00 0.00 C ATOM 96 O LEU A 7 75.010 -32.404 34.161 1.00 0.00 O ATOM 97 CB LEU A 7 77.168 -32.360 31.726 1.00 0.00 C ATOM 98 CG LEU A 7 77.998 -31.582 30.702 1.00 0.00 C ATOM 99 CD1 LEU A 7 79.482 -31.901 30.895 1.00 0.00 C ATOM 100 CD2 LEU A 7 77.573 -31.986 29.287 1.00 0.00 C ATOM 0 H LEU A 7 77.304 -32.606 34.627 1.00 0.00 H new ATOM 0 HA LEU A 7 76.956 -30.393 32.658 1.00 0.00 H new ATOM 0 HB2 LEU A 7 77.728 -33.226 32.080 1.00 0.00 H new ATOM 0 HB3 LEU A 7 76.258 -32.738 31.260 1.00 0.00 H new ATOM 0 HG LEU A 7 77.834 -30.514 30.842 1.00 0.00 H new ATOM 0 HD11 LEU A 7 80.071 -31.346 30.165 1.00 0.00 H new ATOM 0 HD12 LEU A 7 79.788 -31.615 31.901 1.00 0.00 H new ATOM 0 HD13 LEU A 7 79.645 -32.970 30.756 1.00 0.00 H new ATOM 0 HD21 LEU A 7 78.164 -31.432 28.558 1.00 0.00 H new ATOM 0 HD22 LEU A 7 77.736 -33.055 29.149 1.00 0.00 H new ATOM 0 HD23 LEU A 7 76.516 -31.759 29.146 1.00 0.00 H new ATOM 112 N ASN A 8 74.463 -30.892 32.660 1.00 0.00 N ATOM 113 CA ASN A 8 73.013 -31.012 32.992 1.00 0.00 C ATOM 114 C ASN A 8 72.165 -30.279 31.944 1.00 0.00 C ATOM 115 O ASN A 8 71.378 -29.416 32.278 1.00 0.00 O ATOM 116 CB ASN A 8 72.861 -30.350 34.365 1.00 0.00 C ATOM 117 CG ASN A 8 73.368 -28.905 34.305 1.00 0.00 C ATOM 118 OD1 ASN A 8 73.656 -28.392 33.242 1.00 0.00 O ATOM 119 ND2 ASN A 8 73.491 -28.224 35.413 1.00 0.00 N ATOM 0 H ASN A 8 74.685 -30.219 31.926 1.00 0.00 H new ATOM 0 HA ASN A 8 72.678 -32.049 33.002 1.00 0.00 H new ATOM 0 HB2 ASN A 8 71.815 -30.365 34.672 1.00 0.00 H new ATOM 0 HB3 ASN A 8 73.421 -30.911 35.113 1.00 0.00 H new ATOM 0 HD21 ASN A 8 73.829 -27.262 35.385 1.00 0.00 H new ATOM 0 HD22 ASN A 8 73.249 -28.654 36.306 1.00 0.00 H new ATOM 126 N PRO A 9 72.354 -30.650 30.702 1.00 0.00 N ATOM 127 CA PRO A 9 71.592 -30.013 29.598 1.00 0.00 C ATOM 128 C PRO A 9 70.135 -30.489 29.612 1.00 0.00 C ATOM 129 O PRO A 9 69.682 -31.154 28.701 1.00 0.00 O ATOM 130 CB PRO A 9 72.312 -30.495 28.342 1.00 0.00 C ATOM 131 CG PRO A 9 72.973 -31.778 28.738 1.00 0.00 C ATOM 132 CD PRO A 9 73.279 -31.680 30.211 1.00 0.00 C ATOM 0 HA PRO A 9 71.556 -28.926 29.671 1.00 0.00 H new ATOM 0 HB2 PRO A 9 71.612 -30.650 27.521 1.00 0.00 H new ATOM 0 HB3 PRO A 9 73.045 -29.763 28.002 1.00 0.00 H new ATOM 0 HG2 PRO A 9 72.320 -32.627 28.535 1.00 0.00 H new ATOM 0 HG3 PRO A 9 73.886 -31.934 28.164 1.00 0.00 H new ATOM 0 HD2 PRO A 9 73.119 -32.633 30.716 1.00 0.00 H new ATOM 0 HD3 PRO A 9 74.318 -31.398 30.384 1.00 0.00 H new ATOM 140 N SER A 10 69.404 -30.155 30.640 1.00 0.00 N ATOM 141 CA SER A 10 67.976 -30.588 30.716 1.00 0.00 C ATOM 142 C SER A 10 67.199 -29.685 31.676 1.00 0.00 C ATOM 143 O SER A 10 66.937 -30.047 32.808 1.00 0.00 O ATOM 144 CB SER A 10 68.027 -32.021 31.250 1.00 0.00 C ATOM 145 OG SER A 10 68.948 -32.087 32.329 1.00 0.00 O ATOM 0 H SER A 10 69.732 -29.601 31.431 1.00 0.00 H new ATOM 0 HA SER A 10 67.474 -30.529 29.750 1.00 0.00 H new ATOM 0 HB2 SER A 10 67.037 -32.333 31.582 1.00 0.00 H new ATOM 0 HB3 SER A 10 68.328 -32.706 30.457 1.00 0.00 H new ATOM 0 HG SER A 10 68.669 -31.468 33.036 1.00 0.00 H new ATOM 151 N ASP A 11 66.827 -28.514 31.234 1.00 0.00 N ATOM 152 CA ASP A 11 66.064 -27.586 32.119 1.00 0.00 C ATOM 153 C ASP A 11 64.809 -27.077 31.404 1.00 0.00 C ATOM 154 O ASP A 11 63.756 -26.951 31.997 1.00 0.00 O ATOM 155 CB ASP A 11 67.026 -26.429 32.409 1.00 0.00 C ATOM 156 CG ASP A 11 67.484 -25.793 31.095 1.00 0.00 C ATOM 157 OD1 ASP A 11 68.437 -26.291 30.521 1.00 0.00 O ATOM 158 OD2 ASP A 11 66.872 -24.821 30.686 1.00 0.00 O ATOM 0 H ASP A 11 67.019 -28.159 30.297 1.00 0.00 H new ATOM 0 HA ASP A 11 65.728 -28.075 33.034 1.00 0.00 H new ATOM 0 HB2 ASP A 11 66.534 -25.683 33.033 1.00 0.00 H new ATOM 0 HB3 ASP A 11 67.889 -26.793 32.968 1.00 0.00 H new ATOM 163 N LEU A 12 64.912 -26.786 30.134 1.00 0.00 N ATOM 164 CA LEU A 12 63.721 -26.285 29.383 1.00 0.00 C ATOM 165 C LEU A 12 62.841 -27.458 28.938 1.00 0.00 C ATOM 166 O LEU A 12 63.015 -28.009 27.867 1.00 0.00 O ATOM 167 CB LEU A 12 64.292 -25.542 28.169 1.00 0.00 C ATOM 168 CG LEU A 12 65.175 -26.485 27.342 1.00 0.00 C ATOM 169 CD1 LEU A 12 64.558 -26.682 25.955 1.00 0.00 C ATOM 170 CD2 LEU A 12 66.573 -25.877 27.192 1.00 0.00 C ATOM 0 H LEU A 12 65.767 -26.873 29.584 1.00 0.00 H new ATOM 0 HA LEU A 12 63.094 -25.636 29.994 1.00 0.00 H new ATOM 0 HB2 LEU A 12 63.479 -25.158 27.552 1.00 0.00 H new ATOM 0 HB3 LEU A 12 64.875 -24.682 28.500 1.00 0.00 H new ATOM 0 HG LEU A 12 65.247 -27.447 27.849 1.00 0.00 H new ATOM 0 HD11 LEU A 12 65.187 -27.352 25.369 1.00 0.00 H new ATOM 0 HD12 LEU A 12 63.563 -27.115 26.058 1.00 0.00 H new ATOM 0 HD13 LEU A 12 64.484 -25.719 25.449 1.00 0.00 H new ATOM 0 HD21 LEU A 12 67.200 -26.547 26.604 1.00 0.00 H new ATOM 0 HD22 LEU A 12 66.499 -24.914 26.687 1.00 0.00 H new ATOM 0 HD23 LEU A 12 67.016 -25.737 28.178 1.00 0.00 H new ATOM 182 N LEU A 13 61.896 -27.842 29.754 1.00 0.00 N ATOM 183 CA LEU A 13 61.002 -28.977 29.381 1.00 0.00 C ATOM 184 C LEU A 13 59.645 -28.449 28.908 1.00 0.00 C ATOM 185 O LEU A 13 59.173 -28.795 27.842 1.00 0.00 O ATOM 186 CB LEU A 13 60.843 -29.792 30.665 1.00 0.00 C ATOM 187 CG LEU A 13 60.879 -31.284 30.333 1.00 0.00 C ATOM 188 CD1 LEU A 13 60.901 -32.097 31.629 1.00 0.00 C ATOM 189 CD2 LEU A 13 59.635 -31.655 29.521 1.00 0.00 C ATOM 0 H LEU A 13 61.704 -27.419 30.662 1.00 0.00 H new ATOM 0 HA LEU A 13 61.410 -29.575 28.566 1.00 0.00 H new ATOM 0 HB2 LEU A 13 61.641 -29.546 31.365 1.00 0.00 H new ATOM 0 HB3 LEU A 13 59.902 -29.540 31.153 1.00 0.00 H new ATOM 0 HG LEU A 13 61.774 -31.504 29.751 1.00 0.00 H new ATOM 0 HD11 LEU A 13 60.927 -33.160 31.391 1.00 0.00 H new ATOM 0 HD12 LEU A 13 61.786 -31.833 32.209 1.00 0.00 H new ATOM 0 HD13 LEU A 13 60.006 -31.877 32.212 1.00 0.00 H new ATOM 0 HD21 LEU A 13 59.659 -32.719 29.284 1.00 0.00 H new ATOM 0 HD22 LEU A 13 58.741 -31.434 30.104 1.00 0.00 H new ATOM 0 HD23 LEU A 13 59.618 -31.077 28.597 1.00 0.00 H new ATOM 201 N ARG A 14 59.016 -27.614 29.691 1.00 0.00 N ATOM 202 CA ARG A 14 57.689 -27.062 29.285 1.00 0.00 C ATOM 203 C ARG A 14 57.860 -26.077 28.126 1.00 0.00 C ATOM 204 O ARG A 14 58.264 -24.947 28.317 1.00 0.00 O ATOM 205 CB ARG A 14 57.160 -26.343 30.529 1.00 0.00 C ATOM 206 CG ARG A 14 55.668 -26.639 30.696 1.00 0.00 C ATOM 207 CD ARG A 14 55.215 -26.226 32.100 1.00 0.00 C ATOM 208 NE ARG A 14 54.481 -24.945 31.908 1.00 0.00 N ATOM 209 CZ ARG A 14 55.139 -23.846 31.659 1.00 0.00 C ATOM 210 NH1 ARG A 14 55.917 -23.330 32.570 1.00 0.00 N ATOM 211 NH2 ARG A 14 55.020 -23.265 30.495 1.00 0.00 N ATOM 0 H ARG A 14 59.363 -27.290 30.594 1.00 0.00 H new ATOM 0 HA ARG A 14 57.005 -27.839 28.943 1.00 0.00 H new ATOM 0 HB2 ARG A 14 57.708 -26.672 31.412 1.00 0.00 H new ATOM 0 HB3 ARG A 14 57.320 -25.269 30.436 1.00 0.00 H new ATOM 0 HG2 ARG A 14 55.093 -26.098 29.944 1.00 0.00 H new ATOM 0 HG3 ARG A 14 55.478 -27.701 30.539 1.00 0.00 H new ATOM 0 HD2 ARG A 14 54.573 -26.985 32.547 1.00 0.00 H new ATOM 0 HD3 ARG A 14 56.067 -26.096 32.767 1.00 0.00 H new ATOM 0 HE ARG A 14 53.463 -24.926 31.971 1.00 0.00 H new ATOM 0 HH11 ARG A 14 56.011 -23.786 33.478 1.00 0.00 H new ATOM 0 HH12 ARG A 14 56.431 -22.471 32.375 1.00 0.00 H new ATOM 0 HH21 ARG A 14 54.413 -23.670 29.782 1.00 0.00 H new ATOM 0 HH22 ARG A 14 55.534 -22.406 30.299 1.00 0.00 H new ATOM 225 N SER A 15 57.558 -26.498 26.927 1.00 0.00 N ATOM 226 CA SER A 15 57.705 -25.587 25.755 1.00 0.00 C ATOM 227 C SER A 15 56.662 -25.923 24.685 1.00 0.00 C ATOM 228 O SER A 15 56.992 -26.200 23.549 1.00 0.00 O ATOM 229 CB SER A 15 59.116 -25.846 25.228 1.00 0.00 C ATOM 230 OG SER A 15 60.056 -25.608 26.267 1.00 0.00 O ATOM 0 H SER A 15 57.216 -27.434 26.708 1.00 0.00 H new ATOM 0 HA SER A 15 57.555 -24.542 26.025 1.00 0.00 H new ATOM 0 HB2 SER A 15 59.201 -26.873 24.873 1.00 0.00 H new ATOM 0 HB3 SER A 15 59.324 -25.196 24.378 1.00 0.00 H new ATOM 0 HG SER A 15 60.962 -25.775 25.933 1.00 0.00 H new ATOM 236 N VAL A 16 55.403 -25.896 25.041 1.00 0.00 N ATOM 237 CA VAL A 16 54.340 -26.211 24.045 1.00 0.00 C ATOM 238 C VAL A 16 53.560 -24.942 23.688 1.00 0.00 C ATOM 239 O VAL A 16 52.952 -24.317 24.533 1.00 0.00 O ATOM 240 CB VAL A 16 53.428 -27.225 24.744 1.00 0.00 C ATOM 241 CG1 VAL A 16 52.297 -27.639 23.799 1.00 0.00 C ATOM 242 CG2 VAL A 16 54.243 -28.461 25.128 1.00 0.00 C ATOM 0 H VAL A 16 55.067 -25.670 25.977 1.00 0.00 H new ATOM 0 HA VAL A 16 54.748 -26.606 23.115 1.00 0.00 H new ATOM 0 HB VAL A 16 53.004 -26.771 25.640 1.00 0.00 H new ATOM 0 HG11 VAL A 16 51.650 -28.360 24.299 1.00 0.00 H new ATOM 0 HG12 VAL A 16 51.714 -26.760 23.522 1.00 0.00 H new ATOM 0 HG13 VAL A 16 52.720 -28.092 22.902 1.00 0.00 H new ATOM 0 HG21 VAL A 16 53.596 -29.183 25.625 1.00 0.00 H new ATOM 0 HG22 VAL A 16 54.666 -28.911 24.230 1.00 0.00 H new ATOM 0 HG23 VAL A 16 55.048 -28.171 25.803 1.00 0.00 H new ATOM 252 N SER A 17 53.578 -24.557 22.440 1.00 0.00 N ATOM 253 CA SER A 17 52.842 -23.330 22.022 1.00 0.00 C ATOM 254 C SER A 17 51.659 -23.700 21.123 1.00 0.00 C ATOM 255 O SER A 17 51.619 -24.768 20.542 1.00 0.00 O ATOM 256 CB SER A 17 53.864 -22.501 21.245 1.00 0.00 C ATOM 257 OG SER A 17 54.302 -23.240 20.112 1.00 0.00 O ATOM 0 H SER A 17 54.072 -25.041 21.690 1.00 0.00 H new ATOM 0 HA SER A 17 52.435 -22.785 22.873 1.00 0.00 H new ATOM 0 HB2 SER A 17 53.420 -21.557 20.929 1.00 0.00 H new ATOM 0 HB3 SER A 17 54.712 -22.256 21.884 1.00 0.00 H new ATOM 0 HG SER A 17 54.957 -22.711 19.610 1.00 0.00 H new ATOM 263 N ASN A 18 50.696 -22.825 21.004 1.00 0.00 N ATOM 264 CA ASN A 18 49.514 -23.126 20.143 1.00 0.00 C ATOM 265 C ASN A 18 48.901 -21.826 19.614 1.00 0.00 C ATOM 266 O ASN A 18 49.112 -20.762 20.161 1.00 0.00 O ATOM 267 CB ASN A 18 48.526 -23.855 21.058 1.00 0.00 C ATOM 268 CG ASN A 18 48.179 -22.968 22.257 1.00 0.00 C ATOM 269 OD1 ASN A 18 49.032 -22.665 23.067 1.00 0.00 O ATOM 270 ND2 ASN A 18 46.956 -22.540 22.403 1.00 0.00 N ATOM 0 H ASN A 18 50.676 -21.915 21.465 1.00 0.00 H new ATOM 0 HA ASN A 18 49.780 -23.728 19.274 1.00 0.00 H new ATOM 0 HB2 ASN A 18 47.621 -24.105 20.505 1.00 0.00 H new ATOM 0 HB3 ASN A 18 48.959 -24.794 21.402 1.00 0.00 H new ATOM 0 HD21 ASN A 18 46.714 -21.949 23.199 1.00 0.00 H new ATOM 0 HD22 ASN A 18 46.241 -22.796 21.722 1.00 0.00 H new ATOM 277 N ILE A 19 48.135 -21.910 18.554 1.00 0.00 N ATOM 278 CA ILE A 19 47.496 -20.688 17.971 1.00 0.00 C ATOM 279 C ILE A 19 46.728 -21.057 16.697 1.00 0.00 C ATOM 280 O ILE A 19 47.204 -20.866 15.594 1.00 0.00 O ATOM 281 CB ILE A 19 48.651 -19.728 17.643 1.00 0.00 C ATOM 282 CG1 ILE A 19 48.095 -18.459 16.986 1.00 0.00 C ATOM 283 CG2 ILE A 19 49.634 -20.405 16.684 1.00 0.00 C ATOM 284 CD1 ILE A 19 47.372 -17.615 18.036 1.00 0.00 C ATOM 0 H ILE A 19 47.923 -22.779 18.064 1.00 0.00 H new ATOM 0 HA ILE A 19 46.784 -20.233 18.660 1.00 0.00 H new ATOM 0 HB ILE A 19 49.169 -19.466 18.566 1.00 0.00 H new ATOM 0 HG12 ILE A 19 48.905 -17.884 16.537 1.00 0.00 H new ATOM 0 HG13 ILE A 19 47.409 -18.724 16.182 1.00 0.00 H new ATOM 0 HG21 ILE A 19 50.450 -19.719 16.456 1.00 0.00 H new ATOM 0 HG22 ILE A 19 50.036 -21.305 17.150 1.00 0.00 H new ATOM 0 HG23 ILE A 19 49.117 -20.673 15.763 1.00 0.00 H new ATOM 0 HD11 ILE A 19 46.977 -16.713 17.569 1.00 0.00 H new ATOM 0 HD12 ILE A 19 46.552 -18.191 18.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 48.071 -17.338 18.825 1.00 0.00 H new ATOM 296 N SER A 20 45.541 -21.584 16.842 1.00 0.00 N ATOM 297 CA SER A 20 44.739 -21.965 15.643 1.00 0.00 C ATOM 298 C SER A 20 43.280 -21.537 15.828 1.00 0.00 C ATOM 299 O SER A 20 42.816 -21.350 16.936 1.00 0.00 O ATOM 300 CB SER A 20 44.846 -23.487 15.560 1.00 0.00 C ATOM 301 OG SER A 20 46.209 -23.869 15.694 1.00 0.00 O ATOM 0 H SER A 20 45.092 -21.767 17.739 1.00 0.00 H new ATOM 0 HA SER A 20 45.099 -21.483 14.734 1.00 0.00 H new ATOM 0 HB2 SER A 20 44.248 -23.949 16.346 1.00 0.00 H new ATOM 0 HB3 SER A 20 44.449 -23.840 14.608 1.00 0.00 H new ATOM 0 HG SER A 20 46.282 -24.845 15.643 1.00 0.00 H new ATOM 307 N SER A 21 42.555 -21.383 14.752 1.00 0.00 N ATOM 308 CA SER A 21 41.128 -20.966 14.867 1.00 0.00 C ATOM 309 C SER A 21 40.387 -21.240 13.555 1.00 0.00 C ATOM 310 O SER A 21 40.901 -20.999 12.480 1.00 0.00 O ATOM 311 CB SER A 21 41.175 -19.466 15.153 1.00 0.00 C ATOM 312 OG SER A 21 42.040 -18.837 14.213 1.00 0.00 O ATOM 0 H SER A 21 42.889 -21.528 13.799 1.00 0.00 H new ATOM 0 HA SER A 21 40.601 -21.514 15.648 1.00 0.00 H new ATOM 0 HB2 SER A 21 40.174 -19.039 15.086 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.530 -19.288 16.168 1.00 0.00 H new ATOM 0 HG SER A 21 42.072 -17.874 14.391 1.00 0.00 H new ATOM 318 N GLU A 22 39.182 -21.738 13.637 1.00 0.00 N ATOM 319 CA GLU A 22 38.406 -22.026 12.395 1.00 0.00 C ATOM 320 C GLU A 22 37.312 -20.972 12.201 1.00 0.00 C ATOM 321 O GLU A 22 36.181 -21.289 11.888 1.00 0.00 O ATOM 322 CB GLU A 22 37.788 -23.406 12.626 1.00 0.00 C ATOM 323 CG GLU A 22 38.882 -24.473 12.565 1.00 0.00 C ATOM 324 CD GLU A 22 38.294 -25.829 12.957 1.00 0.00 C ATOM 325 OE1 GLU A 22 37.770 -25.931 14.055 1.00 0.00 O ATOM 326 OE2 GLU A 22 38.379 -26.744 12.154 1.00 0.00 O ATOM 0 H GLU A 22 38.702 -21.958 14.509 1.00 0.00 H new ATOM 0 HA GLU A 22 39.030 -22.004 11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 22 37.290 -23.435 13.595 1.00 0.00 H new ATOM 0 HB3 GLU A 22 37.028 -23.606 11.871 1.00 0.00 H new ATOM 0 HG2 GLU A 22 39.300 -24.523 11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 22 39.699 -24.211 13.238 1.00 0.00 H new ATOM 333 N PHE A 23 37.643 -19.722 12.388 1.00 0.00 N ATOM 334 CA PHE A 23 36.623 -18.644 12.215 1.00 0.00 C ATOM 335 C PHE A 23 36.484 -18.279 10.736 1.00 0.00 C ATOM 336 O PHE A 23 37.435 -18.338 9.981 1.00 0.00 O ATOM 337 CB PHE A 23 37.163 -17.455 13.015 1.00 0.00 C ATOM 338 CG PHE A 23 36.338 -17.269 14.269 1.00 0.00 C ATOM 339 CD1 PHE A 23 36.217 -18.315 15.184 1.00 0.00 C ATOM 340 CD2 PHE A 23 35.699 -16.052 14.508 1.00 0.00 C ATOM 341 CE1 PHE A 23 35.454 -18.147 16.347 1.00 0.00 C ATOM 342 CE2 PHE A 23 34.934 -15.875 15.667 1.00 0.00 C ATOM 343 CZ PHE A 23 34.803 -16.923 16.600 1.00 0.00 C ATOM 0 H PHE A 23 38.574 -19.400 12.653 1.00 0.00 H new ATOM 0 HA PHE A 23 35.635 -18.951 12.559 1.00 0.00 H new ATOM 0 HB2 PHE A 23 38.207 -17.624 13.277 1.00 0.00 H new ATOM 0 HB3 PHE A 23 37.129 -16.550 12.408 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.712 -19.256 14.996 1.00 0.00 H new ATOM 0 HD2 PHE A 23 35.795 -15.245 13.797 1.00 0.00 H new ATOM 0 HE1 PHE A 23 35.364 -18.959 17.053 1.00 0.00 H new ATOM 0 HE2 PHE A 23 34.442 -14.931 15.847 1.00 0.00 H new ATOM 0 HZ PHE A 23 34.213 -16.790 17.495 1.00 0.00 H new ATOM 353 N GLY A 24 35.305 -17.901 10.318 1.00 0.00 N ATOM 354 CA GLY A 24 35.104 -17.530 8.888 1.00 0.00 C ATOM 355 C GLY A 24 33.754 -18.062 8.406 1.00 0.00 C ATOM 356 O GLY A 24 33.097 -17.459 7.578 1.00 0.00 O ATOM 0 H GLY A 24 34.474 -17.833 10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 24 35.141 -16.447 8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 24 35.908 -17.942 8.278 1.00 0.00 H new ATOM 360 N ARG A 25 33.332 -19.189 8.917 1.00 0.00 N ATOM 361 CA ARG A 25 32.023 -19.762 8.490 1.00 0.00 C ATOM 362 C ARG A 25 30.888 -19.179 9.335 1.00 0.00 C ATOM 363 O ARG A 25 30.698 -19.549 10.477 1.00 0.00 O ATOM 364 CB ARG A 25 32.155 -21.267 8.732 1.00 0.00 C ATOM 365 CG ARG A 25 32.832 -21.922 7.526 1.00 0.00 C ATOM 366 CD ARG A 25 31.884 -21.886 6.325 1.00 0.00 C ATOM 367 NE ARG A 25 32.162 -23.144 5.579 1.00 0.00 N ATOM 368 CZ ARG A 25 31.177 -23.842 5.085 1.00 0.00 C ATOM 369 NH1 ARG A 25 30.675 -23.531 3.922 1.00 0.00 N ATOM 370 NH2 ARG A 25 30.692 -24.851 5.757 1.00 0.00 N ATOM 0 H ARG A 25 33.838 -19.737 9.612 1.00 0.00 H new ATOM 0 HA ARG A 25 31.791 -19.534 7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 25 32.739 -21.451 9.634 1.00 0.00 H new ATOM 0 HB3 ARG A 25 31.171 -21.708 8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 25 33.758 -21.399 7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 25 33.099 -22.952 7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 25 30.843 -21.838 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 25 32.067 -21.010 5.703 1.00 0.00 H new ATOM 0 HE ARG A 25 33.124 -23.460 5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 25 31.053 -22.741 3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 25 29.905 -24.077 3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 25 31.083 -25.093 6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 25 29.922 -25.397 5.372 1.00 0.00 H new ATOM 384 N ARG A 26 30.132 -18.269 8.780 1.00 0.00 N ATOM 385 CA ARG A 26 29.007 -17.660 9.549 1.00 0.00 C ATOM 386 C ARG A 26 28.056 -16.925 8.601 1.00 0.00 C ATOM 387 O ARG A 26 28.145 -15.726 8.423 1.00 0.00 O ATOM 388 CB ARG A 26 29.674 -16.675 10.510 1.00 0.00 C ATOM 389 CG ARG A 26 28.738 -16.395 11.687 1.00 0.00 C ATOM 390 CD ARG A 26 29.330 -15.287 12.558 1.00 0.00 C ATOM 391 NE ARG A 26 28.979 -14.020 11.861 1.00 0.00 N ATOM 392 CZ ARG A 26 28.483 -13.018 12.536 1.00 0.00 C ATOM 393 NH1 ARG A 26 29.171 -12.481 13.507 1.00 0.00 N ATOM 394 NH2 ARG A 26 27.300 -12.553 12.241 1.00 0.00 N ATOM 0 H ARG A 26 30.245 -17.921 7.828 1.00 0.00 H new ATOM 0 HA ARG A 26 28.414 -18.407 10.077 1.00 0.00 H new ATOM 0 HB2 ARG A 26 30.617 -17.086 10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 26 29.909 -15.746 9.990 1.00 0.00 H new ATOM 0 HG2 ARG A 26 27.755 -16.098 11.321 1.00 0.00 H new ATOM 0 HG3 ARG A 26 28.598 -17.301 12.277 1.00 0.00 H new ATOM 0 HD2 ARG A 26 28.914 -15.312 13.565 1.00 0.00 H new ATOM 0 HD3 ARG A 26 30.410 -15.397 12.657 1.00 0.00 H new ATOM 0 HE ARG A 26 29.126 -13.934 10.855 1.00 0.00 H new ATOM 0 HH11 ARG A 26 30.096 -12.844 13.738 1.00 0.00 H new ATOM 0 HH12 ARG A 26 28.784 -11.698 14.034 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.762 -12.972 11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 26 26.913 -11.770 12.769 1.00 0.00 H new ATOM 408 N VAL A 27 27.146 -17.636 7.991 1.00 0.00 N ATOM 409 CA VAL A 27 26.186 -16.980 7.052 1.00 0.00 C ATOM 410 C VAL A 27 25.238 -16.057 7.825 1.00 0.00 C ATOM 411 O VAL A 27 25.165 -16.100 9.038 1.00 0.00 O ATOM 412 CB VAL A 27 25.415 -18.133 6.399 1.00 0.00 C ATOM 413 CG1 VAL A 27 24.694 -18.953 7.472 1.00 0.00 C ATOM 414 CG2 VAL A 27 24.386 -17.566 5.417 1.00 0.00 C ATOM 0 H VAL A 27 27.025 -18.643 8.101 1.00 0.00 H new ATOM 0 HA VAL A 27 26.690 -16.361 6.309 1.00 0.00 H new ATOM 0 HB VAL A 27 26.116 -18.776 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 27 24.149 -19.770 7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 27 25.425 -19.360 8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 27 23.995 -18.313 8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 27 23.837 -18.385 4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.690 -16.920 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.898 -16.989 4.647 1.00 0.00 H new ATOM 424 N TRP A 28 24.512 -15.222 7.129 1.00 0.00 N ATOM 425 CA TRP A 28 23.568 -14.294 7.821 1.00 0.00 C ATOM 426 C TRP A 28 22.369 -15.075 8.371 1.00 0.00 C ATOM 427 O TRP A 28 22.145 -15.127 9.562 1.00 0.00 O ATOM 428 CB TRP A 28 23.117 -13.306 6.740 1.00 0.00 C ATOM 429 CG TRP A 28 23.385 -11.906 7.198 1.00 0.00 C ATOM 430 CD1 TRP A 28 22.472 -11.086 7.767 1.00 0.00 C ATOM 431 CD2 TRP A 28 24.630 -11.151 7.133 1.00 0.00 C ATOM 432 NE1 TRP A 28 23.077 -9.876 8.057 1.00 0.00 N ATOM 433 CE2 TRP A 28 24.406 -9.867 7.684 1.00 0.00 C ATOM 434 CE3 TRP A 28 25.918 -11.453 6.656 1.00 0.00 C ATOM 435 CZ2 TRP A 28 25.426 -8.916 7.759 1.00 0.00 C ATOM 436 CZ3 TRP A 28 26.946 -10.498 6.728 1.00 0.00 C ATOM 437 CH2 TRP A 28 26.699 -9.232 7.279 1.00 0.00 C ATOM 0 H TRP A 28 24.531 -15.142 6.112 1.00 0.00 H new ATOM 0 HA TRP A 28 24.032 -13.787 8.667 1.00 0.00 H new ATOM 0 HB2 TRP A 28 23.648 -13.503 5.809 1.00 0.00 H new ATOM 0 HB3 TRP A 28 22.054 -13.435 6.535 1.00 0.00 H new ATOM 0 HD1 TRP A 28 21.440 -11.335 7.963 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.599 -9.087 8.493 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.118 -12.426 6.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 25.232 -7.943 8.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 27.931 -10.740 6.357 1.00 0.00 H new ATOM 0 HH2 TRP A 28 27.493 -8.502 7.332 1.00 0.00 H new ATOM 448 N THR A 29 21.599 -15.680 7.506 1.00 0.00 N ATOM 449 CA THR A 29 20.412 -16.459 7.976 1.00 0.00 C ATOM 450 C THR A 29 19.921 -17.400 6.863 1.00 0.00 C ATOM 451 O THR A 29 20.287 -18.558 6.820 1.00 0.00 O ATOM 452 CB THR A 29 19.341 -15.413 8.339 1.00 0.00 C ATOM 453 OG1 THR A 29 18.048 -15.977 8.154 1.00 0.00 O ATOM 454 CG2 THR A 29 19.481 -14.166 7.458 1.00 0.00 C ATOM 0 H THR A 29 21.739 -15.670 6.496 1.00 0.00 H new ATOM 0 HA THR A 29 20.648 -17.088 8.834 1.00 0.00 H new ATOM 0 HB THR A 29 19.476 -15.123 9.381 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.365 -15.313 8.386 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.715 -13.440 7.731 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.467 -13.726 7.605 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.360 -14.445 6.411 1.00 0.00 H new ATOM 462 N SER A 30 19.098 -16.917 5.967 1.00 0.00 N ATOM 463 CA SER A 30 18.592 -17.791 4.869 1.00 0.00 C ATOM 464 C SER A 30 17.985 -16.937 3.753 1.00 0.00 C ATOM 465 O SER A 30 18.559 -16.787 2.693 1.00 0.00 O ATOM 466 CB SER A 30 17.522 -18.666 5.521 1.00 0.00 C ATOM 467 OG SER A 30 18.136 -19.821 6.078 1.00 0.00 O ATOM 0 H SER A 30 18.756 -15.956 5.949 1.00 0.00 H new ATOM 0 HA SER A 30 19.384 -18.388 4.416 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.002 -18.106 6.298 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.775 -18.957 4.783 1.00 0.00 H new ATOM 0 HG SER A 30 19.098 -19.664 6.178 1.00 0.00 H new ATOM 473 N ALA A 31 16.828 -16.377 3.985 1.00 0.00 N ATOM 474 CA ALA A 31 16.183 -15.532 2.936 1.00 0.00 C ATOM 475 C ALA A 31 15.018 -14.736 3.540 1.00 0.00 C ATOM 476 O ALA A 31 14.319 -15.227 4.407 1.00 0.00 O ATOM 477 CB ALA A 31 15.671 -16.522 1.889 1.00 0.00 C ATOM 0 H ALA A 31 16.302 -16.467 4.854 1.00 0.00 H new ATOM 0 HA ALA A 31 16.874 -14.807 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.182 -15.977 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.509 -17.092 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.957 -17.204 2.351 1.00 0.00 H new ATOM 483 N PRO A 32 14.841 -13.529 3.062 1.00 0.00 N ATOM 484 CA PRO A 32 13.745 -12.666 3.570 1.00 0.00 C ATOM 485 C PRO A 32 12.391 -13.154 3.042 1.00 0.00 C ATOM 486 O PRO A 32 12.338 -13.987 2.159 1.00 0.00 O ATOM 487 CB PRO A 32 14.082 -11.287 3.008 1.00 0.00 C ATOM 488 CG PRO A 32 14.907 -11.557 1.788 1.00 0.00 C ATOM 489 CD PRO A 32 15.630 -12.858 2.020 1.00 0.00 C ATOM 0 HA PRO A 32 13.667 -12.670 4.657 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.178 -10.731 2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.634 -10.689 3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.275 -11.620 0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.616 -10.748 1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.677 -13.455 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 32 16.657 -12.690 2.344 1.00 0.00 H new ATOM 497 N PRO A 33 11.336 -12.618 3.602 1.00 0.00 N ATOM 498 CA PRO A 33 9.971 -13.010 3.174 1.00 0.00 C ATOM 499 C PRO A 33 9.656 -12.422 1.793 1.00 0.00 C ATOM 500 O PRO A 33 10.177 -11.385 1.431 1.00 0.00 O ATOM 501 CB PRO A 33 9.071 -12.397 4.244 1.00 0.00 C ATOM 502 CG PRO A 33 9.855 -11.253 4.802 1.00 0.00 C ATOM 503 CD PRO A 33 11.312 -11.609 4.670 1.00 0.00 C ATOM 0 HA PRO A 33 9.842 -14.088 3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.127 -12.058 3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.828 -13.124 5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.633 -10.333 4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.594 -11.080 5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.914 -10.738 4.410 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.712 -12.006 5.603 1.00 0.00 H new ATOM 511 N PRO A 34 8.811 -13.106 1.062 1.00 0.00 N ATOM 512 CA PRO A 34 8.432 -12.636 -0.294 1.00 0.00 C ATOM 513 C PRO A 34 7.507 -11.419 -0.198 1.00 0.00 C ATOM 514 O PRO A 34 7.091 -11.027 0.875 1.00 0.00 O ATOM 515 CB PRO A 34 7.696 -13.831 -0.894 1.00 0.00 C ATOM 516 CG PRO A 34 7.179 -14.597 0.281 1.00 0.00 C ATOM 517 CD PRO A 34 8.137 -14.361 1.420 1.00 0.00 C ATOM 0 HA PRO A 34 9.286 -12.322 -0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.882 -13.508 -1.543 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.364 -14.442 -1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.176 -14.264 0.546 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.111 -15.660 0.048 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.612 -14.275 2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.848 -15.181 1.521 1.00 0.00 H new ATOM 525 N GLN A 35 7.182 -10.820 -1.313 1.00 0.00 N ATOM 526 CA GLN A 35 6.284 -9.628 -1.287 1.00 0.00 C ATOM 527 C GLN A 35 4.834 -10.066 -1.062 1.00 0.00 C ATOM 528 O GLN A 35 4.389 -11.066 -1.590 1.00 0.00 O ATOM 529 CB GLN A 35 6.442 -8.979 -2.662 1.00 0.00 C ATOM 530 CG GLN A 35 5.704 -7.640 -2.682 1.00 0.00 C ATOM 531 CD GLN A 35 5.711 -7.070 -4.101 1.00 0.00 C ATOM 532 OE1 GLN A 35 6.410 -6.119 -4.384 1.00 0.00 O ATOM 533 NE2 GLN A 35 4.956 -7.618 -5.013 1.00 0.00 N ATOM 0 H GLN A 35 7.499 -11.104 -2.240 1.00 0.00 H new ATOM 0 HA GLN A 35 6.537 -8.938 -0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.498 -8.828 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.044 -9.637 -3.434 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.678 -7.774 -2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.181 -6.940 -1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.368 -8.417 -4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.953 -7.247 -5.963 1.00 0.00 H new ATOM 542 N ARG A 36 4.094 -9.323 -0.282 1.00 0.00 N ATOM 543 CA ARG A 36 2.675 -9.698 -0.020 1.00 0.00 C ATOM 544 C ARG A 36 1.801 -8.436 0.048 1.00 0.00 C ATOM 545 O ARG A 36 2.178 -7.460 0.665 1.00 0.00 O ATOM 546 CB ARG A 36 2.698 -10.404 1.335 1.00 0.00 C ATOM 547 CG ARG A 36 1.467 -11.303 1.469 1.00 0.00 C ATOM 548 CD ARG A 36 1.646 -12.549 0.600 1.00 0.00 C ATOM 549 NE ARG A 36 1.053 -13.662 1.393 1.00 0.00 N ATOM 550 CZ ARG A 36 1.830 -14.504 2.017 1.00 0.00 C ATOM 551 NH1 ARG A 36 2.536 -15.368 1.341 1.00 0.00 N ATOM 552 NH2 ARG A 36 1.899 -14.483 3.320 1.00 0.00 N ATOM 0 H ARG A 36 4.411 -8.473 0.184 1.00 0.00 H new ATOM 0 HA ARG A 36 2.262 -10.332 -0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.607 -10.998 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.712 -9.668 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.326 -11.591 2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.572 -10.760 1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.142 -12.436 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.699 -12.734 0.387 1.00 0.00 H new ATOM 0 HE ARG A 36 0.040 -13.766 1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.481 -15.386 0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.143 -16.025 1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.346 -13.809 3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.506 -15.141 3.809 1.00 0.00 H new ATOM 566 N PRO A 37 0.656 -8.494 -0.591 1.00 0.00 N ATOM 567 CA PRO A 37 -0.266 -7.332 -0.590 1.00 0.00 C ATOM 568 C PRO A 37 -0.931 -7.184 0.781 1.00 0.00 C ATOM 569 O PRO A 37 -1.788 -7.960 1.154 1.00 0.00 O ATOM 570 CB PRO A 37 -1.296 -7.687 -1.658 1.00 0.00 C ATOM 571 CG PRO A 37 -1.274 -9.180 -1.737 1.00 0.00 C ATOM 572 CD PRO A 37 0.118 -9.623 -1.362 1.00 0.00 C ATOM 0 HA PRO A 37 0.236 -6.386 -0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.287 -7.321 -1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.040 -7.237 -2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.011 -9.612 -1.061 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.528 -9.516 -2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.099 -10.538 -0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.723 -9.827 -2.245 1.00 0.00 H new ATOM 580 N PHE A 38 -0.539 -6.192 1.535 1.00 0.00 N ATOM 581 CA PHE A 38 -1.146 -5.994 2.884 1.00 0.00 C ATOM 582 C PHE A 38 -2.190 -4.877 2.835 1.00 0.00 C ATOM 583 O PHE A 38 -1.867 -3.720 2.649 1.00 0.00 O ATOM 584 CB PHE A 38 0.023 -5.597 3.787 1.00 0.00 C ATOM 585 CG PHE A 38 0.818 -6.828 4.149 1.00 0.00 C ATOM 586 CD1 PHE A 38 0.202 -7.883 4.831 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.173 -6.912 3.805 1.00 0.00 C ATOM 588 CE1 PHE A 38 0.940 -9.026 5.167 1.00 0.00 C ATOM 589 CE2 PHE A 38 2.910 -8.054 4.142 1.00 0.00 C ATOM 590 CZ PHE A 38 2.294 -9.110 4.822 1.00 0.00 C ATOM 0 H PHE A 38 0.174 -5.511 1.276 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.655 -6.888 3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.661 -4.875 3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.349 -5.112 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.842 -7.817 5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.649 -6.097 3.280 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.464 -9.841 5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.955 -8.120 3.877 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.863 -9.990 5.081 1.00 0.00 H new ATOM 600 N ARG A 39 -3.441 -5.216 3.001 1.00 0.00 N ATOM 601 CA ARG A 39 -4.507 -4.173 2.965 1.00 0.00 C ATOM 602 C ARG A 39 -4.405 -3.271 4.199 1.00 0.00 C ATOM 603 O ARG A 39 -4.485 -3.728 5.323 1.00 0.00 O ATOM 604 CB ARG A 39 -5.825 -4.945 2.973 1.00 0.00 C ATOM 605 CG ARG A 39 -6.990 -3.967 2.812 1.00 0.00 C ATOM 606 CD ARG A 39 -8.308 -4.743 2.765 1.00 0.00 C ATOM 607 NE ARG A 39 -8.313 -5.411 1.435 1.00 0.00 N ATOM 608 CZ ARG A 39 -8.766 -6.630 1.319 1.00 0.00 C ATOM 609 NH1 ARG A 39 -10.042 -6.867 1.457 1.00 0.00 N ATOM 610 NH2 ARG A 39 -7.943 -7.610 1.066 1.00 0.00 N ATOM 0 H ARG A 39 -3.770 -6.168 3.160 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.421 -3.528 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.836 -5.676 2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.928 -5.500 3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.002 -3.260 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.866 -3.385 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.366 -5.472 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.163 -4.076 2.875 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.963 -4.917 0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.685 -6.100 1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.397 -7.819 1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.946 -7.424 0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.297 -8.562 0.975 1.00 0.00 H new ATOM 624 N VAL A 40 -4.229 -1.992 3.992 1.00 0.00 N ATOM 625 CA VAL A 40 -4.121 -1.053 5.145 1.00 0.00 C ATOM 626 C VAL A 40 -5.355 -0.147 5.198 1.00 0.00 C ATOM 627 O VAL A 40 -5.930 0.190 4.180 1.00 0.00 O ATOM 628 CB VAL A 40 -2.861 -0.230 4.867 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.625 0.755 6.014 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.656 -1.168 4.747 1.00 0.00 C ATOM 0 H VAL A 40 -4.155 -1.558 3.072 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.064 -1.572 6.102 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.989 0.323 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.727 1.339 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.481 1.424 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.498 0.204 6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.758 -0.583 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.531 -1.721 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.820 -1.869 3.928 1.00 0.00 H new ATOM 640 N CYS A 41 -5.767 0.248 6.373 1.00 0.00 N ATOM 641 CA CYS A 41 -6.965 1.132 6.486 1.00 0.00 C ATOM 642 C CYS A 41 -6.712 2.258 7.490 1.00 0.00 C ATOM 643 O CYS A 41 -5.879 2.149 8.368 1.00 0.00 O ATOM 644 CB CYS A 41 -8.095 0.220 6.971 1.00 0.00 C ATOM 645 SG CYS A 41 -7.633 -0.547 8.547 1.00 0.00 S ATOM 0 H CYS A 41 -5.327 -0.002 7.259 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.208 1.610 5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.013 0.796 7.092 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.297 -0.550 6.227 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.728 0.179 9.134 1.00 0.00 H new ATOM 651 N ASP A 42 -7.431 3.340 7.364 1.00 0.00 N ATOM 652 CA ASP A 42 -7.247 4.482 8.305 1.00 0.00 C ATOM 653 C ASP A 42 -8.179 4.331 9.512 1.00 0.00 C ATOM 654 O ASP A 42 -8.953 3.397 9.591 1.00 0.00 O ATOM 655 CB ASP A 42 -7.610 5.727 7.498 1.00 0.00 C ATOM 656 CG ASP A 42 -6.800 6.919 8.015 1.00 0.00 C ATOM 657 OD1 ASP A 42 -7.113 7.400 9.091 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.879 7.327 7.326 1.00 0.00 O ATOM 0 H ASP A 42 -8.141 3.483 6.646 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.230 4.534 8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.402 5.562 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.677 5.932 7.585 1.00 0.00 H new ATOM 663 N HIS A 43 -8.089 5.234 10.459 1.00 0.00 N ATOM 664 CA HIS A 43 -8.945 5.155 11.688 1.00 0.00 C ATOM 665 C HIS A 43 -10.346 4.595 11.377 1.00 0.00 C ATOM 666 O HIS A 43 -10.578 3.408 11.508 1.00 0.00 O ATOM 667 CB HIS A 43 -9.032 6.599 12.193 1.00 0.00 C ATOM 668 CG HIS A 43 -9.834 6.642 13.465 1.00 0.00 C ATOM 669 ND1 HIS A 43 -9.633 5.736 14.496 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.840 7.475 13.888 1.00 0.00 C ATOM 671 CE1 HIS A 43 -10.499 6.042 15.480 1.00 0.00 C ATOM 672 NE2 HIS A 43 -11.258 7.095 15.160 1.00 0.00 N ATOM 0 H HIS A 43 -7.453 6.031 10.434 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.521 4.478 12.430 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.031 6.994 12.369 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.497 7.232 11.437 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.245 8.300 13.320 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.572 5.503 16.413 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.987 7.527 15.727 1.00 0.00 H new ATOM 680 N LYS A 44 -11.286 5.420 10.981 1.00 0.00 N ATOM 681 CA LYS A 44 -12.653 4.883 10.692 1.00 0.00 C ATOM 682 C LYS A 44 -12.812 4.511 9.211 1.00 0.00 C ATOM 683 O LYS A 44 -12.898 3.351 8.863 1.00 0.00 O ATOM 684 CB LYS A 44 -13.607 6.018 11.062 1.00 0.00 C ATOM 685 CG LYS A 44 -15.052 5.566 10.841 1.00 0.00 C ATOM 686 CD LYS A 44 -15.421 4.498 11.877 1.00 0.00 C ATOM 687 CE LYS A 44 -16.471 5.056 12.842 1.00 0.00 C ATOM 688 NZ LYS A 44 -17.748 4.403 12.438 1.00 0.00 N ATOM 0 H LYS A 44 -11.170 6.424 10.847 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.850 3.970 11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.460 6.305 12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.394 6.898 10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.727 6.418 10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.168 5.166 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.808 3.611 11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.533 4.191 12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.219 4.825 13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.541 6.141 12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.518 4.735 13.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.965 4.647 11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.654 3.371 12.527 1.00 0.00 H new ATOM 702 N ARG A 45 -12.858 5.485 8.337 1.00 0.00 N ATOM 703 CA ARG A 45 -13.021 5.172 6.884 1.00 0.00 C ATOM 704 C ARG A 45 -12.435 6.283 6.001 1.00 0.00 C ATOM 705 O ARG A 45 -12.732 6.360 4.824 1.00 0.00 O ATOM 706 CB ARG A 45 -14.533 5.068 6.675 1.00 0.00 C ATOM 707 CG ARG A 45 -14.822 4.183 5.459 1.00 0.00 C ATOM 708 CD ARG A 45 -16.267 3.683 5.524 1.00 0.00 C ATOM 709 NE ARG A 45 -17.102 4.874 5.200 1.00 0.00 N ATOM 710 CZ ARG A 45 -17.343 5.183 3.954 1.00 0.00 C ATOM 711 NH1 ARG A 45 -16.518 5.959 3.304 1.00 0.00 N ATOM 712 NH2 ARG A 45 -18.406 4.718 3.360 1.00 0.00 N ATOM 0 H ARG A 45 -12.790 6.477 8.564 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.495 4.258 6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -15.005 4.649 7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.959 6.060 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.662 4.746 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.134 3.338 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.438 2.876 4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.505 3.291 6.513 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.485 5.448 5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.687 6.323 3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.705 6.201 2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.050 4.112 3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.593 4.960 2.387 1.00 0.00 H new ATOM 726 N THR A 46 -11.624 7.151 6.548 1.00 0.00 N ATOM 727 CA THR A 46 -11.049 8.258 5.720 1.00 0.00 C ATOM 728 C THR A 46 -10.375 7.697 4.462 1.00 0.00 C ATOM 729 O THR A 46 -10.712 8.065 3.353 1.00 0.00 O ATOM 730 CB THR A 46 -10.023 8.948 6.620 1.00 0.00 C ATOM 731 OG1 THR A 46 -9.020 8.016 6.987 1.00 0.00 O ATOM 732 CG2 THR A 46 -10.713 9.479 7.880 1.00 0.00 C ATOM 0 H THR A 46 -11.335 7.144 7.526 1.00 0.00 H new ATOM 0 HA THR A 46 -11.819 8.951 5.380 1.00 0.00 H new ATOM 0 HB THR A 46 -9.571 9.781 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.248 8.115 6.392 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.978 9.970 8.518 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.484 10.195 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.168 8.650 8.422 1.00 0.00 H new ATOM 740 N ILE A 47 -9.427 6.810 4.622 1.00 0.00 N ATOM 741 CA ILE A 47 -8.739 6.232 3.431 1.00 0.00 C ATOM 742 C ILE A 47 -8.565 4.718 3.602 1.00 0.00 C ATOM 743 O ILE A 47 -8.202 4.242 4.658 1.00 0.00 O ATOM 744 CB ILE A 47 -7.377 6.928 3.376 1.00 0.00 C ATOM 745 CG1 ILE A 47 -7.582 8.440 3.245 1.00 0.00 C ATOM 746 CG2 ILE A 47 -6.588 6.417 2.166 1.00 0.00 C ATOM 747 CD1 ILE A 47 -6.228 9.149 3.283 1.00 0.00 C ATOM 0 H ILE A 47 -9.101 6.462 5.524 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.308 6.384 2.514 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.823 6.711 4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.096 8.667 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.216 8.802 4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.618 6.913 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.441 5.341 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.142 6.633 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.378 10.225 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.730 8.933 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.609 8.796 2.458 1.00 0.00 H new ATOM 759 N ARG A 48 -8.821 3.965 2.566 1.00 0.00 N ATOM 760 CA ARG A 48 -8.670 2.484 2.659 1.00 0.00 C ATOM 761 C ARG A 48 -8.055 1.932 1.369 1.00 0.00 C ATOM 762 O ARG A 48 -8.726 1.778 0.367 1.00 0.00 O ATOM 763 CB ARG A 48 -10.093 1.954 2.845 1.00 0.00 C ATOM 764 CG ARG A 48 -10.051 0.436 3.029 1.00 0.00 C ATOM 765 CD ARG A 48 -11.442 -0.148 2.768 1.00 0.00 C ATOM 766 NE ARG A 48 -11.611 -0.088 1.290 1.00 0.00 N ATOM 767 CZ ARG A 48 -12.385 0.816 0.757 1.00 0.00 C ATOM 768 NH1 ARG A 48 -13.607 0.966 1.187 1.00 0.00 N ATOM 769 NH2 ARG A 48 -11.934 1.572 -0.208 1.00 0.00 N ATOM 0 H ARG A 48 -9.129 4.312 1.658 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.013 2.185 3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.557 2.424 3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.704 2.209 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.326 -0.004 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.725 0.190 4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.515 -1.173 3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.214 0.428 3.278 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.121 -0.755 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.958 0.376 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.211 1.674 0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.978 1.455 -0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.538 2.280 -0.626 1.00 0.00 H new ATOM 783 N LYS A 49 -6.781 1.637 1.384 1.00 0.00 N ATOM 784 CA LYS A 49 -6.124 1.097 0.159 1.00 0.00 C ATOM 785 C LYS A 49 -5.132 -0.010 0.534 1.00 0.00 C ATOM 786 O LYS A 49 -4.658 -0.080 1.652 1.00 0.00 O ATOM 787 CB LYS A 49 -5.391 2.293 -0.454 1.00 0.00 C ATOM 788 CG LYS A 49 -4.679 1.861 -1.736 1.00 0.00 C ATOM 789 CD LYS A 49 -5.716 1.519 -2.807 1.00 0.00 C ATOM 790 CE LYS A 49 -5.098 1.701 -4.196 1.00 0.00 C ATOM 791 NZ LYS A 49 -5.738 0.653 -5.041 1.00 0.00 N ATOM 0 H LYS A 49 -6.168 1.747 2.192 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.839 0.657 -0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.099 3.093 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.668 2.692 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.027 2.660 -2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.046 0.996 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.058 0.492 -2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.590 2.161 -2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.294 2.699 -4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.015 1.578 -4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.365 0.713 -6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.528 -0.286 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.767 0.800 -5.056 1.00 0.00 H new ATOM 805 N GLY A 50 -4.815 -0.875 -0.393 1.00 0.00 N ATOM 806 CA GLY A 50 -3.857 -1.977 -0.093 1.00 0.00 C ATOM 807 C GLY A 50 -2.711 -1.948 -1.108 1.00 0.00 C ATOM 808 O GLY A 50 -2.927 -1.840 -2.298 1.00 0.00 O ATOM 0 H GLY A 50 -5.179 -0.865 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.464 -1.867 0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.368 -2.939 -0.133 1.00 0.00 H new ATOM 812 N LEU A 51 -1.493 -2.046 -0.644 1.00 0.00 N ATOM 813 CA LEU A 51 -0.331 -2.024 -1.581 1.00 0.00 C ATOM 814 C LEU A 51 0.605 -3.199 -1.288 1.00 0.00 C ATOM 815 O LEU A 51 0.525 -3.828 -0.251 1.00 0.00 O ATOM 816 CB LEU A 51 0.374 -0.694 -1.309 1.00 0.00 C ATOM 817 CG LEU A 51 -0.544 0.462 -1.715 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.024 1.764 -1.105 1.00 0.00 C ATOM 819 CD2 LEU A 51 -0.561 0.586 -3.239 1.00 0.00 C ATOM 0 H LEU A 51 -1.253 -2.140 0.343 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.638 -2.115 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.630 -0.615 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.308 -0.644 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.554 0.269 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.677 2.587 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.009 1.676 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.986 1.958 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.214 1.409 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.449 0.780 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.930 -0.342 -3.675 1.00 0.00 H new ATOM 831 N THR A 52 1.495 -3.503 -2.199 1.00 0.00 N ATOM 832 CA THR A 52 2.437 -4.638 -1.976 1.00 0.00 C ATOM 833 C THR A 52 3.721 -4.142 -1.308 1.00 0.00 C ATOM 834 O THR A 52 4.429 -3.311 -1.840 1.00 0.00 O ATOM 835 CB THR A 52 2.739 -5.184 -3.373 1.00 0.00 C ATOM 836 OG1 THR A 52 3.048 -4.102 -4.244 1.00 0.00 O ATOM 837 CG2 THR A 52 1.518 -5.936 -3.905 1.00 0.00 C ATOM 0 H THR A 52 1.609 -3.014 -3.087 1.00 0.00 H new ATOM 0 HA THR A 52 2.013 -5.400 -1.321 1.00 0.00 H new ATOM 0 HB THR A 52 3.588 -5.866 -3.322 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.648 -3.476 -3.788 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.735 -6.324 -4.900 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.281 -6.764 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.667 -5.257 -3.958 1.00 0.00 H new ATOM 845 N ALA A 53 4.027 -4.649 -0.143 1.00 0.00 N ATOM 846 CA ALA A 53 5.267 -4.208 0.562 1.00 0.00 C ATOM 847 C ALA A 53 5.943 -5.409 1.229 1.00 0.00 C ATOM 848 O ALA A 53 5.291 -6.272 1.783 1.00 0.00 O ATOM 849 CB ALA A 53 4.794 -3.203 1.614 1.00 0.00 C ATOM 0 H ALA A 53 3.473 -5.349 0.351 1.00 0.00 H new ATOM 0 HA ALA A 53 5.996 -3.767 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.652 -2.833 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.295 -2.368 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.098 -3.691 2.296 1.00 0.00 H new ATOM 855 N ALA A 54 7.248 -5.470 1.180 1.00 0.00 N ATOM 856 CA ALA A 54 7.965 -6.616 1.810 1.00 0.00 C ATOM 857 C ALA A 54 9.239 -6.128 2.504 1.00 0.00 C ATOM 858 O ALA A 54 10.257 -5.914 1.874 1.00 0.00 O ATOM 859 CB ALA A 54 8.310 -7.553 0.652 1.00 0.00 C ATOM 0 H ALA A 54 7.847 -4.777 0.732 1.00 0.00 H new ATOM 0 HA ALA A 54 7.361 -7.112 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.841 -8.424 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.393 -7.875 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.942 -7.029 -0.064 1.00 0.00 H new ATOM 865 N THR A 55 9.192 -5.958 3.798 1.00 0.00 N ATOM 866 CA THR A 55 10.401 -5.493 4.537 1.00 0.00 C ATOM 867 C THR A 55 10.309 -5.913 6.006 1.00 0.00 C ATOM 868 O THR A 55 9.241 -6.197 6.515 1.00 0.00 O ATOM 869 CB THR A 55 10.397 -3.968 4.413 1.00 0.00 C ATOM 870 OG1 THR A 55 9.985 -3.598 3.104 1.00 0.00 O ATOM 871 CG2 THR A 55 11.806 -3.437 4.673 1.00 0.00 C ATOM 0 H THR A 55 8.367 -6.121 4.376 1.00 0.00 H new ATOM 0 HA THR A 55 11.318 -5.924 4.135 1.00 0.00 H new ATOM 0 HB THR A 55 9.706 -3.545 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.377 -4.215 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.807 -2.351 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.122 -3.721 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.495 -3.861 3.942 1.00 0.00 H new ATOM 879 N ARG A 56 11.420 -5.966 6.687 1.00 0.00 N ATOM 880 CA ARG A 56 11.402 -6.381 8.121 1.00 0.00 C ATOM 881 C ARG A 56 11.236 -5.167 9.043 1.00 0.00 C ATOM 882 O ARG A 56 10.261 -5.056 9.764 1.00 0.00 O ATOM 883 CB ARG A 56 12.761 -7.044 8.351 1.00 0.00 C ATOM 884 CG ARG A 56 12.766 -7.740 9.712 1.00 0.00 C ATOM 885 CD ARG A 56 14.070 -8.525 9.879 1.00 0.00 C ATOM 886 NE ARG A 56 13.989 -9.624 8.875 1.00 0.00 N ATOM 887 CZ ARG A 56 13.495 -10.782 9.216 1.00 0.00 C ATOM 888 NH1 ARG A 56 13.882 -11.355 10.322 1.00 0.00 N ATOM 889 NH2 ARG A 56 12.614 -11.368 8.451 1.00 0.00 N ATOM 0 H ARG A 56 12.342 -5.740 6.313 1.00 0.00 H new ATOM 0 HA ARG A 56 10.569 -7.049 8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.963 -7.767 7.561 1.00 0.00 H new ATOM 0 HB3 ARG A 56 13.554 -6.297 8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.668 -7.003 10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.912 -8.412 9.792 1.00 0.00 H new ATOM 0 HD2 ARG A 56 14.938 -7.891 9.701 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.166 -8.920 10.890 1.00 0.00 H new ATOM 0 HE ARG A 56 14.320 -9.471 7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.570 -10.898 10.920 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.496 -12.261 10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.312 -10.920 7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.228 -12.274 8.718 1.00 0.00 H new ATOM 903 N GLN A 57 12.186 -4.271 9.043 1.00 0.00 N ATOM 904 CA GLN A 57 12.092 -3.078 9.937 1.00 0.00 C ATOM 905 C GLN A 57 11.381 -1.913 9.238 1.00 0.00 C ATOM 906 O GLN A 57 10.465 -1.324 9.779 1.00 0.00 O ATOM 907 CB GLN A 57 13.543 -2.706 10.243 1.00 0.00 C ATOM 908 CG GLN A 57 13.582 -1.716 11.407 1.00 0.00 C ATOM 909 CD GLN A 57 15.030 -1.309 11.684 1.00 0.00 C ATOM 910 OE1 GLN A 57 15.851 -2.138 12.027 1.00 0.00 O ATOM 911 NE2 GLN A 57 15.383 -0.061 11.548 1.00 0.00 N ATOM 0 H GLN A 57 13.024 -4.313 8.463 1.00 0.00 H new ATOM 0 HA GLN A 57 11.515 -3.293 10.836 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.114 -3.600 10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.010 -2.266 9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.985 -0.836 11.169 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.144 -2.168 12.297 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.695 0.635 11.260 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.347 0.219 11.729 1.00 0.00 H new ATOM 920 N GLU A 58 11.802 -1.568 8.051 1.00 0.00 N ATOM 921 CA GLU A 58 11.156 -0.428 7.329 1.00 0.00 C ATOM 922 C GLU A 58 9.642 -0.645 7.205 1.00 0.00 C ATOM 923 O GLU A 58 8.895 0.286 6.977 1.00 0.00 O ATOM 924 CB GLU A 58 11.807 -0.405 5.947 1.00 0.00 C ATOM 925 CG GLU A 58 11.617 0.975 5.316 1.00 0.00 C ATOM 926 CD GLU A 58 12.028 0.925 3.844 1.00 0.00 C ATOM 927 OE1 GLU A 58 11.464 0.123 3.117 1.00 0.00 O ATOM 928 OE2 GLU A 58 12.901 1.692 3.466 1.00 0.00 O ATOM 0 H GLU A 58 12.564 -2.024 7.549 1.00 0.00 H new ATOM 0 HA GLU A 58 11.292 0.513 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.869 -0.635 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.363 -1.171 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.576 1.286 5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.216 1.715 5.847 1.00 0.00 H new ATOM 935 N LEU A 59 9.185 -1.864 7.351 1.00 0.00 N ATOM 936 CA LEU A 59 7.719 -2.138 7.241 1.00 0.00 C ATOM 937 C LEU A 59 6.917 -1.162 8.110 1.00 0.00 C ATOM 938 O LEU A 59 5.905 -0.634 7.691 1.00 0.00 O ATOM 939 CB LEU A 59 7.544 -3.571 7.748 1.00 0.00 C ATOM 940 CG LEU A 59 6.338 -4.212 7.060 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.809 -5.035 5.861 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.612 -5.125 8.050 1.00 0.00 C ATOM 0 H LEU A 59 9.764 -2.682 7.542 1.00 0.00 H new ATOM 0 HA LEU A 59 7.359 -2.015 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.443 -4.152 7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.402 -3.571 8.829 1.00 0.00 H new ATOM 0 HG LEU A 59 5.659 -3.431 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.948 -5.491 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.326 -4.386 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.489 -5.816 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.752 -5.582 7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.292 -5.905 8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.274 -4.539 8.904 1.00 0.00 H new ATOM 954 N LEU A 60 7.362 -0.917 9.314 1.00 0.00 N ATOM 955 CA LEU A 60 6.623 0.029 10.206 1.00 0.00 C ATOM 956 C LEU A 60 6.688 1.448 9.637 1.00 0.00 C ATOM 957 O LEU A 60 5.699 2.155 9.587 1.00 0.00 O ATOM 958 CB LEU A 60 7.341 -0.043 11.553 1.00 0.00 C ATOM 959 CG LEU A 60 6.419 0.494 12.651 1.00 0.00 C ATOM 960 CD1 LEU A 60 5.700 -0.670 13.335 1.00 0.00 C ATOM 961 CD2 LEU A 60 7.251 1.257 13.686 1.00 0.00 C ATOM 0 H LEU A 60 8.203 -1.329 9.719 1.00 0.00 H new ATOM 0 HA LEU A 60 5.568 -0.231 10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.624 -1.073 11.772 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.261 0.540 11.518 1.00 0.00 H new ATOM 0 HG LEU A 60 5.682 1.164 12.208 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.045 -0.284 14.116 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.107 -1.214 12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.435 -1.342 13.777 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.596 1.640 14.469 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.988 0.586 14.126 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.762 2.089 13.201 1.00 0.00 H new ATOM 973 N ALA A 61 7.846 1.869 9.199 1.00 0.00 N ATOM 974 CA ALA A 61 7.977 3.244 8.627 1.00 0.00 C ATOM 975 C ALA A 61 6.971 3.438 7.489 1.00 0.00 C ATOM 976 O ALA A 61 6.530 4.538 7.218 1.00 0.00 O ATOM 977 CB ALA A 61 9.407 3.322 8.094 1.00 0.00 C ATOM 0 H ALA A 61 8.706 1.321 9.212 1.00 0.00 H new ATOM 0 HA ALA A 61 7.777 4.019 9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.579 4.306 7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.109 3.160 8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.554 2.556 7.332 1.00 0.00 H new ATOM 983 N LYS A 62 6.605 2.373 6.825 1.00 0.00 N ATOM 984 CA LYS A 62 5.625 2.493 5.705 1.00 0.00 C ATOM 985 C LYS A 62 4.264 2.937 6.243 1.00 0.00 C ATOM 986 O LYS A 62 3.573 3.727 5.630 1.00 0.00 O ATOM 987 CB LYS A 62 5.532 1.090 5.103 1.00 0.00 C ATOM 988 CG LYS A 62 4.706 1.138 3.816 1.00 0.00 C ATOM 989 CD LYS A 62 3.291 0.628 4.095 1.00 0.00 C ATOM 990 CE LYS A 62 3.318 -0.895 4.241 1.00 0.00 C ATOM 991 NZ LYS A 62 2.373 -1.191 5.354 1.00 0.00 N ATOM 0 H LYS A 62 6.941 1.428 7.009 1.00 0.00 H new ATOM 0 HA LYS A 62 5.932 3.232 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.530 0.707 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.072 0.407 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.667 2.158 3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.178 0.528 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.901 1.084 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.623 0.915 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.008 -1.386 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.322 -1.252 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.337 -2.218 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.698 -0.716 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.424 -0.846 5.105 1.00 0.00 H new ATOM 1005 N ALA A 63 3.876 2.438 7.389 1.00 0.00 N ATOM 1006 CA ALA A 63 2.556 2.830 7.973 1.00 0.00 C ATOM 1007 C ALA A 63 2.470 4.354 8.100 1.00 0.00 C ATOM 1008 O ALA A 63 1.409 4.938 8.008 1.00 0.00 O ATOM 1009 CB ALA A 63 2.519 2.175 9.354 1.00 0.00 C ATOM 0 H ALA A 63 4.416 1.776 7.946 1.00 0.00 H new ATOM 0 HA ALA A 63 1.719 2.512 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.577 2.418 9.847 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.604 1.094 9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.349 2.546 9.955 1.00 0.00 H new ATOM 1015 N LEU A 64 3.582 4.999 8.318 1.00 0.00 N ATOM 1016 CA LEU A 64 3.574 6.486 8.448 1.00 0.00 C ATOM 1017 C LEU A 64 3.463 7.151 7.068 1.00 0.00 C ATOM 1018 O LEU A 64 2.478 7.784 6.744 1.00 0.00 O ATOM 1019 CB LEU A 64 4.911 6.833 9.106 1.00 0.00 C ATOM 1020 CG LEU A 64 4.974 6.207 10.501 1.00 0.00 C ATOM 1021 CD1 LEU A 64 6.366 6.429 11.102 1.00 0.00 C ATOM 1022 CD2 LEU A 64 3.917 6.856 11.399 1.00 0.00 C ATOM 0 H LEU A 64 4.498 4.561 8.412 1.00 0.00 H new ATOM 0 HA LEU A 64 2.725 6.840 9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.735 6.466 8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.023 7.915 9.176 1.00 0.00 H new ATOM 0 HG LEU A 64 4.780 5.137 10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.409 5.982 12.095 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.117 5.964 10.463 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.564 7.498 11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.961 6.411 12.393 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.109 7.926 11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.927 6.693 10.972 1.00 0.00 H new ATOM 1034 N GLU A 65 4.486 7.022 6.264 1.00 0.00 N ATOM 1035 CA GLU A 65 4.489 7.660 4.908 1.00 0.00 C ATOM 1036 C GLU A 65 3.196 7.377 4.130 1.00 0.00 C ATOM 1037 O GLU A 65 2.682 8.247 3.455 1.00 0.00 O ATOM 1038 CB GLU A 65 5.685 7.040 4.188 1.00 0.00 C ATOM 1039 CG GLU A 65 6.061 7.905 2.983 1.00 0.00 C ATOM 1040 CD GLU A 65 5.117 7.595 1.818 1.00 0.00 C ATOM 1041 OE1 GLU A 65 4.811 6.432 1.625 1.00 0.00 O ATOM 1042 OE2 GLU A 65 4.719 8.528 1.141 1.00 0.00 O ATOM 0 H GLU A 65 5.331 6.496 6.489 1.00 0.00 H new ATOM 0 HA GLU A 65 4.554 8.745 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.532 6.960 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.442 6.029 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.997 8.961 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.093 7.711 2.690 1.00 0.00 H new ATOM 1049 N THR A 66 2.679 6.174 4.192 1.00 0.00 N ATOM 1050 CA THR A 66 1.428 5.861 3.423 1.00 0.00 C ATOM 1051 C THR A 66 0.372 6.964 3.615 1.00 0.00 C ATOM 1052 O THR A 66 -0.039 7.599 2.662 1.00 0.00 O ATOM 1053 CB THR A 66 0.927 4.505 3.944 1.00 0.00 C ATOM 1054 OG1 THR A 66 -0.401 4.291 3.488 1.00 0.00 O ATOM 1055 CG2 THR A 66 0.948 4.463 5.472 1.00 0.00 C ATOM 0 H THR A 66 3.062 5.401 4.735 1.00 0.00 H new ATOM 0 HA THR A 66 1.624 5.814 2.352 1.00 0.00 H new ATOM 0 HB THR A 66 1.587 3.724 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.724 3.426 3.817 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.589 3.493 5.814 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.967 4.618 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.303 5.248 5.866 1.00 0.00 H new ATOM 1063 N LEU A 67 -0.061 7.217 4.826 1.00 0.00 N ATOM 1064 CA LEU A 67 -1.071 8.298 5.035 1.00 0.00 C ATOM 1065 C LEU A 67 -0.397 9.573 5.554 1.00 0.00 C ATOM 1066 O LEU A 67 -0.575 10.643 5.006 1.00 0.00 O ATOM 1067 CB LEU A 67 -2.050 7.753 6.083 1.00 0.00 C ATOM 1068 CG LEU A 67 -3.096 6.844 5.422 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -3.882 7.635 4.373 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -2.408 5.656 4.748 1.00 0.00 C ATOM 0 H LEU A 67 0.238 6.727 5.669 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.575 8.559 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.504 7.195 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.547 8.580 6.590 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.778 6.478 6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.623 6.985 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.386 8.474 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.198 8.009 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.158 5.017 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.718 6.019 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.857 5.083 5.494 1.00 0.00 H new ATOM 1082 N LEU A 68 0.379 9.470 6.606 1.00 0.00 N ATOM 1083 CA LEU A 68 1.058 10.684 7.149 1.00 0.00 C ATOM 1084 C LEU A 68 2.421 10.327 7.750 1.00 0.00 C ATOM 1085 O LEU A 68 2.541 9.415 8.543 1.00 0.00 O ATOM 1086 CB LEU A 68 0.116 11.211 8.234 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.024 11.996 7.586 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.987 12.485 8.669 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -0.449 13.202 6.835 1.00 0.00 C ATOM 0 H LEU A 68 0.570 8.603 7.108 1.00 0.00 H new ATOM 0 HA LEU A 68 1.248 11.424 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.285 10.381 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.664 11.850 8.926 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.558 11.351 6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.800 13.045 8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.395 11.629 9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.453 13.130 9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.261 13.763 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.084 13.846 7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.239 12.856 6.064 1.00 0.00 H new ATOM 1101 N LEU A 69 3.449 11.054 7.392 1.00 0.00 N ATOM 1102 CA LEU A 69 4.803 10.767 7.952 1.00 0.00 C ATOM 1103 C LEU A 69 5.158 11.804 9.025 1.00 0.00 C ATOM 1104 O LEU A 69 5.040 12.994 8.813 1.00 0.00 O ATOM 1105 CB LEU A 69 5.763 10.864 6.762 1.00 0.00 C ATOM 1106 CG LEU A 69 5.802 12.302 6.232 1.00 0.00 C ATOM 1107 CD1 LEU A 69 7.073 12.996 6.725 1.00 0.00 C ATOM 1108 CD2 LEU A 69 5.799 12.281 4.702 1.00 0.00 C ATOM 0 H LEU A 69 3.408 11.834 6.736 1.00 0.00 H new ATOM 0 HA LEU A 69 4.854 9.788 8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.763 10.553 7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.444 10.185 5.971 1.00 0.00 H new ATOM 0 HG LEU A 69 4.928 12.844 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.099 14.018 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.080 13.012 7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.947 12.453 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.827 13.303 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.674 11.738 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.895 11.787 4.347 1.00 0.00 H new ATOM 1120 N ASN A 70 5.590 11.359 10.176 1.00 0.00 N ATOM 1121 CA ASN A 70 5.950 12.318 11.261 1.00 0.00 C ATOM 1122 C ASN A 70 7.203 11.840 12.000 1.00 0.00 C ATOM 1123 O ASN A 70 7.554 10.676 11.957 1.00 0.00 O ATOM 1124 CB ASN A 70 4.746 12.325 12.203 1.00 0.00 C ATOM 1125 CG ASN A 70 4.730 13.626 13.006 1.00 0.00 C ATOM 1126 OD1 ASN A 70 5.766 14.117 13.410 1.00 0.00 O ATOM 1127 ND2 ASN A 70 3.591 14.211 13.255 1.00 0.00 N ATOM 0 H ASN A 70 5.709 10.374 10.411 1.00 0.00 H new ATOM 0 HA ASN A 70 6.170 13.312 10.872 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.823 12.228 11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.794 11.470 12.878 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.570 15.080 13.788 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.721 13.799 12.916 1.00 0.00 H new ATOM 1134 N GLY A 71 7.877 12.729 12.681 1.00 0.00 N ATOM 1135 CA GLY A 71 9.104 12.328 13.428 1.00 0.00 C ATOM 1136 C GLY A 71 8.716 11.392 14.574 1.00 0.00 C ATOM 1137 O GLY A 71 9.422 10.453 14.887 1.00 0.00 O ATOM 0 H GLY A 71 7.630 13.716 12.752 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.805 11.830 12.758 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.610 13.211 13.820 1.00 0.00 H new ATOM 1141 N VAL A 72 7.597 11.641 15.201 1.00 0.00 N ATOM 1142 CA VAL A 72 7.157 10.766 16.328 1.00 0.00 C ATOM 1143 C VAL A 72 5.669 10.436 16.182 1.00 0.00 C ATOM 1144 O VAL A 72 4.842 11.311 16.020 1.00 0.00 O ATOM 1145 CB VAL A 72 7.406 11.585 17.596 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.090 10.728 18.823 1.00 0.00 C ATOM 1147 CG2 VAL A 72 8.874 12.016 17.646 1.00 0.00 C ATOM 0 H VAL A 72 6.968 12.413 14.981 1.00 0.00 H new ATOM 0 HA VAL A 72 7.695 9.818 16.350 1.00 0.00 H new ATOM 0 HB VAL A 72 6.767 12.468 17.590 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.267 11.309 19.728 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.046 10.416 18.790 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.732 9.847 18.827 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.051 12.600 18.549 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.513 11.133 17.653 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.105 12.623 16.771 1.00 0.00 H new ATOM 1157 N LEU A 73 5.325 9.176 16.234 1.00 0.00 N ATOM 1158 CA LEU A 73 3.893 8.785 16.093 1.00 0.00 C ATOM 1159 C LEU A 73 3.586 7.571 16.974 1.00 0.00 C ATOM 1160 O LEU A 73 4.401 6.682 17.130 1.00 0.00 O ATOM 1161 CB LEU A 73 3.735 8.437 14.607 1.00 0.00 C ATOM 1162 CG LEU A 73 2.252 8.352 14.217 1.00 0.00 C ATOM 1163 CD1 LEU A 73 1.614 7.110 14.850 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.507 9.606 14.688 1.00 0.00 C ATOM 0 H LEU A 73 5.975 8.401 16.368 1.00 0.00 H new ATOM 0 HA LEU A 73 3.209 9.574 16.404 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.232 9.192 13.998 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.225 7.486 14.398 1.00 0.00 H new ATOM 0 HG LEU A 73 2.181 8.281 13.132 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.562 7.058 14.568 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.129 6.217 14.497 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.696 7.172 15.935 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.457 9.533 14.405 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.586 9.691 15.772 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.948 10.487 14.222 1.00 0.00 H new ATOM 1176 N THR A 74 2.411 7.525 17.543 1.00 0.00 N ATOM 1177 CA THR A 74 2.040 6.369 18.408 1.00 0.00 C ATOM 1178 C THR A 74 1.245 5.341 17.597 1.00 0.00 C ATOM 1179 O THR A 74 0.280 5.670 16.933 1.00 0.00 O ATOM 1180 CB THR A 74 1.171 6.966 19.518 1.00 0.00 C ATOM 1181 OG1 THR A 74 0.215 7.844 18.945 1.00 0.00 O ATOM 1182 CG2 THR A 74 2.057 7.743 20.496 1.00 0.00 C ATOM 0 H THR A 74 1.691 8.241 17.445 1.00 0.00 H new ATOM 0 HA THR A 74 2.913 5.854 18.809 1.00 0.00 H new ATOM 0 HB THR A 74 0.658 6.166 20.051 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.024 7.527 18.049 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.440 8.169 21.287 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.794 7.069 20.934 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.569 8.545 19.964 1.00 0.00 H new ATOM 1190 N LEU A 75 1.645 4.097 17.646 1.00 0.00 N ATOM 1191 CA LEU A 75 0.919 3.044 16.880 1.00 0.00 C ATOM 1192 C LEU A 75 -0.153 2.394 17.757 1.00 0.00 C ATOM 1193 O LEU A 75 0.069 2.118 18.920 1.00 0.00 O ATOM 1194 CB LEU A 75 1.990 2.017 16.504 1.00 0.00 C ATOM 1195 CG LEU A 75 2.881 2.585 15.400 1.00 0.00 C ATOM 1196 CD1 LEU A 75 4.307 2.063 15.576 1.00 0.00 C ATOM 1197 CD2 LEU A 75 2.342 2.146 14.037 1.00 0.00 C ATOM 0 H LEU A 75 2.445 3.765 18.185 1.00 0.00 H new ATOM 0 HA LEU A 75 0.413 3.450 16.004 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.591 1.767 17.378 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.520 1.093 16.166 1.00 0.00 H new ATOM 0 HG LEU A 75 2.884 3.673 15.458 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.943 2.468 14.789 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.691 2.374 16.548 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.306 0.975 15.517 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.976 2.550 13.248 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.340 1.058 13.980 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.325 2.517 13.911 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.312 2.146 17.210 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.395 1.512 18.016 1.00 0.00 C ATOM 1211 C VAL A 76 -3.233 0.575 17.142 1.00 0.00 C ATOM 1212 O VAL A 76 -3.287 0.716 15.935 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.246 2.673 18.534 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.399 3.555 19.452 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -3.756 3.507 17.357 1.00 0.00 C ATOM 0 H VAL A 76 -1.556 2.354 16.242 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.997 0.908 18.831 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.096 2.276 19.089 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.004 4.383 19.822 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.040 2.964 20.294 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.548 3.948 18.895 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.361 4.332 17.731 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.909 3.903 16.798 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.362 2.880 16.702 1.00 0.00 H new ATOM 1225 N LEU A 77 -3.888 -0.378 17.746 1.00 0.00 N ATOM 1226 CA LEU A 77 -4.728 -1.330 16.965 1.00 0.00 C ATOM 1227 C LEU A 77 -6.148 -1.364 17.540 1.00 0.00 C ATOM 1228 O LEU A 77 -6.347 -1.217 18.731 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.053 -2.694 17.133 1.00 0.00 C ATOM 1230 CG LEU A 77 -3.878 -3.007 18.625 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -4.314 -4.445 18.904 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.404 -2.838 19.009 1.00 0.00 C ATOM 0 H LEU A 77 -3.877 -0.539 18.753 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.809 -1.045 15.916 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.655 -3.469 16.658 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.083 -2.694 16.636 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.491 -2.324 19.213 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.188 -4.664 19.964 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.362 -4.567 18.630 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.703 -5.131 18.317 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.276 -3.060 20.069 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.794 -3.522 18.419 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.092 -1.812 18.813 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.134 -1.555 16.706 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.540 -1.596 17.210 1.00 0.00 C ATOM 1246 C GLU A 78 -8.950 -3.037 17.535 1.00 0.00 C ATOM 1247 O GLU A 78 -9.941 -3.273 18.198 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.386 -1.036 16.067 1.00 0.00 C ATOM 1249 CG GLU A 78 -10.815 -0.801 16.560 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.698 -0.381 15.381 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -11.536 -0.948 14.313 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.523 0.498 15.569 1.00 0.00 O ATOM 0 H GLU A 78 -7.029 -1.684 15.700 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.666 -1.022 18.128 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.956 -0.102 15.706 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.389 -1.731 15.228 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.208 -1.709 17.017 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.824 -0.028 17.328 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.200 -4.002 17.069 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.549 -5.428 17.349 1.00 0.00 C ATOM 1261 C GLU A 79 -8.643 -5.670 18.859 1.00 0.00 C ATOM 1262 O GLU A 79 -9.683 -6.032 19.375 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.403 -6.241 16.749 1.00 0.00 C ATOM 1264 CG GLU A 79 -7.699 -7.735 16.901 1.00 0.00 C ATOM 1265 CD GLU A 79 -6.484 -8.544 16.444 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -6.309 -8.686 15.245 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -5.750 -9.008 17.300 1.00 0.00 O ATOM 0 H GLU A 79 -7.360 -3.865 16.506 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.514 -5.704 16.925 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.278 -5.990 15.696 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.467 -5.993 17.249 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.934 -7.966 17.940 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.573 -8.006 16.309 1.00 0.00 H new ATOM 1274 N ASP A 80 -7.566 -5.472 19.571 1.00 0.00 N ATOM 1275 CA ASP A 80 -7.593 -5.690 21.047 1.00 0.00 C ATOM 1276 C ASP A 80 -7.711 -4.351 21.781 1.00 0.00 C ATOM 1277 O ASP A 80 -8.160 -4.288 22.909 1.00 0.00 O ATOM 1278 CB ASP A 80 -6.257 -6.363 21.372 1.00 0.00 C ATOM 1279 CG ASP A 80 -6.346 -7.040 22.742 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -7.388 -7.601 23.036 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -5.370 -6.985 23.472 1.00 0.00 O ATOM 0 H ASP A 80 -6.668 -5.169 19.194 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.443 -6.297 21.358 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.013 -7.099 20.606 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.456 -5.624 21.371 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.313 -3.278 21.148 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.403 -1.943 21.807 1.00 0.00 C ATOM 1288 C GLY A 81 -6.196 -1.747 22.726 1.00 0.00 C ATOM 1289 O GLY A 81 -6.333 -1.630 23.928 1.00 0.00 O ATOM 0 H GLY A 81 -6.930 -3.270 20.203 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.433 -1.155 21.054 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.327 -1.870 22.381 1.00 0.00 H new ATOM 1293 N THR A 82 -5.014 -1.713 22.169 1.00 0.00 N ATOM 1294 CA THR A 82 -3.797 -1.527 23.010 1.00 0.00 C ATOM 1295 C THR A 82 -2.803 -0.594 22.312 1.00 0.00 C ATOM 1296 O THR A 82 -2.765 -0.507 21.100 1.00 0.00 O ATOM 1297 CB THR A 82 -3.201 -2.927 23.159 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.166 -3.791 23.744 1.00 0.00 O ATOM 1299 CG2 THR A 82 -1.961 -2.864 24.051 1.00 0.00 C ATOM 0 H THR A 82 -4.840 -1.806 21.168 1.00 0.00 H new ATOM 0 HA THR A 82 -4.030 -1.076 23.975 1.00 0.00 H new ATOM 0 HB THR A 82 -2.919 -3.309 22.178 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.786 -4.689 23.839 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.537 -3.863 24.156 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.222 -2.202 23.600 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.239 -2.482 25.034 1.00 0.00 H new ATOM 1307 N ALA A 83 -1.995 0.098 23.071 1.00 0.00 N ATOM 1308 CA ALA A 83 -0.998 1.023 22.457 1.00 0.00 C ATOM 1309 C ALA A 83 0.267 0.249 22.080 1.00 0.00 C ATOM 1310 O ALA A 83 0.661 -0.679 22.758 1.00 0.00 O ATOM 1311 CB ALA A 83 -0.692 2.055 23.542 1.00 0.00 C ATOM 0 H ALA A 83 -1.982 0.063 24.090 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.371 1.492 21.547 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.036 2.773 23.166 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.609 2.577 23.816 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.285 1.551 24.419 1.00 0.00 H new ATOM 1317 N VAL A 84 0.904 0.620 21.002 1.00 0.00 N ATOM 1318 CA VAL A 84 2.142 -0.099 20.583 1.00 0.00 C ATOM 1319 C VAL A 84 3.220 0.899 20.156 1.00 0.00 C ATOM 1320 O VAL A 84 2.930 1.954 19.624 1.00 0.00 O ATOM 1321 CB VAL A 84 1.717 -0.970 19.401 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.920 -1.768 18.887 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.617 -1.937 19.851 1.00 0.00 C ATOM 0 H VAL A 84 0.621 1.389 20.394 1.00 0.00 H new ATOM 0 HA VAL A 84 2.566 -0.692 21.393 1.00 0.00 H new ATOM 0 HB VAL A 84 1.339 -0.333 18.601 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.613 -2.387 18.045 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.702 -1.080 18.565 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.302 -2.405 19.685 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.313 -2.559 19.009 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.996 -2.571 20.653 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.241 -1.370 20.212 1.00 0.00 H new ATOM 1333 N ASP A 85 4.462 0.570 20.382 1.00 0.00 N ATOM 1334 CA ASP A 85 5.570 1.490 19.987 1.00 0.00 C ATOM 1335 C ASP A 85 6.796 0.685 19.541 1.00 0.00 C ATOM 1336 O ASP A 85 7.894 1.199 19.473 1.00 0.00 O ATOM 1337 CB ASP A 85 5.884 2.299 21.251 1.00 0.00 C ATOM 1338 CG ASP A 85 6.189 1.354 22.420 1.00 0.00 C ATOM 1339 OD1 ASP A 85 6.403 0.177 22.171 1.00 0.00 O ATOM 1340 OD2 ASP A 85 6.201 1.824 23.544 1.00 0.00 O ATOM 0 H ASP A 85 4.760 -0.299 20.825 1.00 0.00 H new ATOM 0 HA ASP A 85 5.295 2.133 19.151 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.737 2.954 21.071 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.038 2.939 21.502 1.00 0.00 H new ATOM 1345 N SER A 86 6.617 -0.576 19.241 1.00 0.00 N ATOM 1346 CA SER A 86 7.771 -1.415 18.805 1.00 0.00 C ATOM 1347 C SER A 86 7.316 -2.440 17.762 1.00 0.00 C ATOM 1348 O SER A 86 6.145 -2.550 17.456 1.00 0.00 O ATOM 1349 CB SER A 86 8.249 -2.119 20.074 1.00 0.00 C ATOM 1350 OG SER A 86 7.132 -2.673 20.754 1.00 0.00 O ATOM 0 H SER A 86 5.720 -1.060 19.280 1.00 0.00 H new ATOM 0 HA SER A 86 8.562 -0.823 18.344 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.961 -2.904 19.821 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.769 -1.413 20.721 1.00 0.00 H new ATOM 0 HG SER A 86 6.710 -1.982 21.306 1.00 0.00 H new ATOM 1356 N GLU A 87 8.235 -3.195 17.218 1.00 0.00 N ATOM 1357 CA GLU A 87 7.858 -4.219 16.198 1.00 0.00 C ATOM 1358 C GLU A 87 6.930 -5.277 16.809 1.00 0.00 C ATOM 1359 O GLU A 87 6.344 -6.078 16.107 1.00 0.00 O ATOM 1360 CB GLU A 87 9.181 -4.853 15.765 1.00 0.00 C ATOM 1361 CG GLU A 87 9.019 -5.473 14.375 1.00 0.00 C ATOM 1362 CD GLU A 87 9.994 -6.642 14.219 1.00 0.00 C ATOM 1363 OE1 GLU A 87 9.958 -7.531 15.055 1.00 0.00 O ATOM 1364 OE2 GLU A 87 10.757 -6.629 13.268 1.00 0.00 O ATOM 0 H GLU A 87 9.230 -3.147 17.436 1.00 0.00 H new ATOM 0 HA GLU A 87 7.319 -3.779 15.359 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.969 -4.100 15.750 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.483 -5.616 16.482 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.995 -5.819 14.237 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.208 -4.723 13.607 1.00 0.00 H new ATOM 1371 N ASP A 88 6.790 -5.289 18.112 1.00 0.00 N ATOM 1372 CA ASP A 88 5.900 -6.296 18.766 1.00 0.00 C ATOM 1373 C ASP A 88 4.462 -6.181 18.242 1.00 0.00 C ATOM 1374 O ASP A 88 3.649 -7.058 18.460 1.00 0.00 O ATOM 1375 CB ASP A 88 5.952 -5.958 20.256 1.00 0.00 C ATOM 1376 CG ASP A 88 5.295 -7.083 21.058 1.00 0.00 C ATOM 1377 OD1 ASP A 88 5.794 -8.195 21.001 1.00 0.00 O ATOM 1378 OD2 ASP A 88 4.305 -6.813 21.717 1.00 0.00 O ATOM 0 H ASP A 88 7.255 -4.644 18.751 1.00 0.00 H new ATOM 0 HA ASP A 88 6.223 -7.316 18.560 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.986 -5.826 20.574 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.438 -5.015 20.444 1.00 0.00 H new ATOM 1383 N PHE A 89 4.141 -5.108 17.557 1.00 0.00 N ATOM 1384 CA PHE A 89 2.754 -4.932 17.020 1.00 0.00 C ATOM 1385 C PHE A 89 2.238 -6.240 16.398 1.00 0.00 C ATOM 1386 O PHE A 89 1.251 -6.799 16.837 1.00 0.00 O ATOM 1387 CB PHE A 89 2.886 -3.840 15.949 1.00 0.00 C ATOM 1388 CG PHE A 89 1.628 -3.781 15.113 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.398 -3.530 15.721 1.00 0.00 C ATOM 1390 CD2 PHE A 89 1.697 -3.981 13.735 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.770 -3.477 14.953 1.00 0.00 C ATOM 1392 CE2 PHE A 89 0.536 -3.929 12.955 1.00 0.00 C ATOM 1393 CZ PHE A 89 -0.714 -3.677 13.557 1.00 0.00 C ATOM 0 H PHE A 89 4.783 -4.344 17.346 1.00 0.00 H new ATOM 0 HA PHE A 89 2.043 -4.662 17.801 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.063 -2.874 16.422 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.746 -4.046 15.312 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.347 -3.376 16.789 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.651 -4.177 13.267 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.719 -3.282 15.430 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.598 -4.083 11.888 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.613 -3.638 12.960 1.00 0.00 H new ATOM 1403 N PHE A 90 2.897 -6.723 15.379 1.00 0.00 N ATOM 1404 CA PHE A 90 2.444 -7.988 14.727 1.00 0.00 C ATOM 1405 C PHE A 90 2.543 -9.165 15.704 1.00 0.00 C ATOM 1406 O PHE A 90 1.672 -10.010 15.758 1.00 0.00 O ATOM 1407 CB PHE A 90 3.397 -8.187 13.546 1.00 0.00 C ATOM 1408 CG PHE A 90 2.986 -7.276 12.414 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.764 -7.473 11.768 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.828 -6.238 12.011 1.00 0.00 C ATOM 1411 CE1 PHE A 90 1.378 -6.634 10.718 1.00 0.00 C ATOM 1412 CE2 PHE A 90 3.451 -5.392 10.961 1.00 0.00 C ATOM 1413 CZ PHE A 90 2.218 -5.581 10.301 1.00 0.00 C ATOM 0 H PHE A 90 3.729 -6.298 14.970 1.00 0.00 H new ATOM 0 HA PHE A 90 1.403 -7.935 14.409 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.421 -7.970 13.850 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.376 -9.226 13.218 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.114 -8.277 12.081 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.773 -6.087 12.511 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.431 -6.793 10.224 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.107 -4.591 10.655 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.923 -4.931 9.491 1.00 0.00 H new ATOM 1423 N GLN A 91 3.597 -9.226 16.474 1.00 0.00 N ATOM 1424 CA GLN A 91 3.752 -10.349 17.447 1.00 0.00 C ATOM 1425 C GLN A 91 2.665 -10.280 18.524 1.00 0.00 C ATOM 1426 O GLN A 91 2.399 -11.248 19.211 1.00 0.00 O ATOM 1427 CB GLN A 91 5.136 -10.151 18.068 1.00 0.00 C ATOM 1428 CG GLN A 91 5.447 -11.319 19.009 1.00 0.00 C ATOM 1429 CD GLN A 91 5.637 -12.602 18.197 1.00 0.00 C ATOM 1430 OE1 GLN A 91 5.735 -12.562 16.985 1.00 0.00 O ATOM 1431 NE2 GLN A 91 5.696 -13.749 18.817 1.00 0.00 N ATOM 0 H GLN A 91 4.358 -8.547 16.472 1.00 0.00 H new ATOM 0 HA GLN A 91 3.656 -11.322 16.966 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.892 -10.090 17.285 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.169 -9.210 18.617 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.348 -11.105 19.584 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.635 -11.448 19.725 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.614 -13.784 19.833 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.824 -14.610 18.285 1.00 0.00 H new ATOM 1440 N LEU A 92 2.038 -9.145 18.683 1.00 0.00 N ATOM 1441 CA LEU A 92 0.972 -9.016 19.722 1.00 0.00 C ATOM 1442 C LEU A 92 -0.396 -9.394 19.142 1.00 0.00 C ATOM 1443 O LEU A 92 -1.316 -9.719 19.865 1.00 0.00 O ATOM 1444 CB LEU A 92 1.000 -7.542 20.133 1.00 0.00 C ATOM 1445 CG LEU A 92 -0.094 -7.270 21.174 1.00 0.00 C ATOM 1446 CD1 LEU A 92 0.546 -6.795 22.480 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -1.041 -6.186 20.652 1.00 0.00 C ATOM 0 H LEU A 92 2.217 -8.301 18.139 1.00 0.00 H new ATOM 0 HA LEU A 92 1.141 -9.680 20.570 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.977 -7.289 20.545 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.848 -6.909 19.259 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.653 -8.188 21.355 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.233 -6.602 23.218 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.220 -7.565 22.856 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.108 -5.879 22.298 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.818 -5.994 21.392 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.480 -5.270 20.469 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.501 -6.522 19.723 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.541 -9.355 17.841 1.00 0.00 N ATOM 1460 CA LEU A 93 -1.852 -9.716 17.224 1.00 0.00 C ATOM 1461 C LEU A 93 -1.688 -10.914 16.286 1.00 0.00 C ATOM 1462 O LEU A 93 -0.621 -11.154 15.752 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.274 -8.479 16.428 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.609 -7.331 17.385 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.443 -6.341 17.418 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.874 -6.614 16.904 1.00 0.00 C ATOM 0 H LEU A 93 0.190 -9.089 17.182 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.592 -9.995 17.975 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.472 -8.179 15.753 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.140 -8.712 15.809 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.778 -7.730 18.385 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.679 -5.523 18.099 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.543 -6.850 17.762 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.275 -5.943 16.417 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.111 -5.797 17.586 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.708 -6.215 15.904 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.705 -7.319 16.880 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.739 -11.660 16.069 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.647 -12.834 15.152 1.00 0.00 C ATOM 1480 C GLU A 94 -2.351 -12.345 13.734 1.00 0.00 C ATOM 1481 O GLU A 94 -2.306 -11.155 13.483 1.00 0.00 O ATOM 1482 CB GLU A 94 -4.019 -13.505 15.220 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.958 -14.700 16.174 1.00 0.00 C ATOM 1484 CD GLU A 94 -3.592 -15.962 15.391 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -4.391 -16.376 14.567 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -2.517 -16.490 15.627 1.00 0.00 O ATOM 0 H GLU A 94 -3.657 -11.507 16.487 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.853 -13.527 15.431 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.768 -12.791 15.563 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.324 -13.835 14.227 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.220 -14.517 16.955 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.920 -14.833 16.669 1.00 0.00 H new ATOM 1493 N ASP A 95 -2.143 -13.237 12.801 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.844 -12.781 11.412 1.00 0.00 C ATOM 1495 C ASP A 95 -3.042 -12.019 10.844 1.00 0.00 C ATOM 1496 O ASP A 95 -4.135 -12.540 10.741 1.00 0.00 O ATOM 1497 CB ASP A 95 -1.591 -14.060 10.616 1.00 0.00 C ATOM 1498 CG ASP A 95 -1.221 -13.701 9.174 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.230 -13.014 8.991 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -1.937 -14.119 8.279 1.00 0.00 O ATOM 0 H ASP A 95 -2.167 -14.248 12.937 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.988 -12.107 11.372 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.787 -14.634 11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.480 -14.690 10.628 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.832 -10.790 10.467 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.938 -9.969 9.892 1.00 0.00 C ATOM 1507 C ASP A 96 -3.360 -8.688 9.287 1.00 0.00 C ATOM 1508 O ASP A 96 -2.183 -8.414 9.418 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.856 -9.645 11.074 1.00 0.00 C ATOM 1510 CG ASP A 96 -4.068 -8.914 12.165 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.505 -7.874 11.864 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -4.042 -9.405 13.280 1.00 0.00 O ATOM 0 H ASP A 96 -1.933 -10.312 10.532 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.478 -10.488 9.100 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.689 -9.027 10.739 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.283 -10.564 11.476 1.00 0.00 H new ATOM 1517 N THR A 97 -4.172 -7.888 8.651 1.00 0.00 N ATOM 1518 CA THR A 97 -3.644 -6.619 8.077 1.00 0.00 C ATOM 1519 C THR A 97 -4.417 -5.434 8.657 1.00 0.00 C ATOM 1520 O THR A 97 -5.517 -5.130 8.236 1.00 0.00 O ATOM 1521 CB THR A 97 -3.869 -6.723 6.566 1.00 0.00 C ATOM 1522 OG1 THR A 97 -4.018 -8.089 6.196 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.669 -6.124 5.832 1.00 0.00 C ATOM 0 H THR A 97 -5.167 -8.056 8.505 1.00 0.00 H new ATOM 0 HA THR A 97 -2.590 -6.467 8.310 1.00 0.00 H new ATOM 0 HB THR A 97 -4.773 -6.176 6.296 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.164 -8.152 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.827 -6.197 4.756 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.557 -5.077 6.112 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.766 -6.671 6.104 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.840 -4.759 9.611 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.520 -3.583 10.223 1.00 0.00 C ATOM 1533 C CYS A 98 -3.489 -2.497 10.530 1.00 0.00 C ATOM 1534 O CYS A 98 -2.438 -2.774 11.077 1.00 0.00 O ATOM 1535 CB CYS A 98 -5.147 -4.111 11.513 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.422 -2.960 12.080 1.00 0.00 S ATOM 0 H CYS A 98 -2.920 -4.973 9.996 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.268 -3.142 9.564 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.581 -5.096 11.342 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.382 -4.229 12.280 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.957 -3.410 13.176 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.771 -1.272 10.194 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.788 -0.189 10.485 1.00 0.00 C ATOM 1544 C LEU A 99 -3.499 1.086 10.935 1.00 0.00 C ATOM 1545 O LEU A 99 -4.419 1.557 10.296 1.00 0.00 O ATOM 1546 CB LEU A 99 -2.050 0.047 9.170 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.795 0.881 9.434 1.00 0.00 C ATOM 1548 CD1 LEU A 99 0.399 -0.049 9.662 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.518 1.782 8.230 1.00 0.00 C ATOM 0 H LEU A 99 -4.631 -0.973 9.734 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.110 -0.467 11.291 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.778 -0.906 8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.700 0.562 8.463 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.949 1.497 10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.293 0.546 9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.202 -0.690 10.521 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.554 -0.666 8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.376 2.376 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.365 1.167 7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.367 2.446 8.069 1.00 0.00 H new ATOM 1561 N MET A 100 -3.065 1.653 12.026 1.00 0.00 N ATOM 1562 CA MET A 100 -3.693 2.907 12.518 1.00 0.00 C ATOM 1563 C MET A 100 -2.598 3.878 12.964 1.00 0.00 C ATOM 1564 O MET A 100 -1.669 3.502 13.649 1.00 0.00 O ATOM 1565 CB MET A 100 -4.555 2.482 13.707 1.00 0.00 C ATOM 1566 CG MET A 100 -5.613 3.552 13.980 1.00 0.00 C ATOM 1567 SD MET A 100 -6.425 3.208 15.561 1.00 0.00 S ATOM 1568 CE MET A 100 -7.899 2.405 14.888 1.00 0.00 C ATOM 0 H MET A 100 -2.299 1.299 12.599 1.00 0.00 H new ATOM 0 HA MET A 100 -4.287 3.410 11.755 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.035 1.526 13.498 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.931 2.339 14.589 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.150 4.539 14.004 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.349 3.564 13.176 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.579 2.152 15.701 1.00 0.00 H new ATOM 0 HE2 MET A 100 -8.398 3.082 14.195 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.610 1.496 14.361 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.695 5.120 12.574 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.649 6.103 12.976 1.00 0.00 C ATOM 1580 C VAL A 101 -2.301 7.409 13.439 1.00 0.00 C ATOM 1581 O VAL A 101 -2.898 8.126 12.661 1.00 0.00 O ATOM 1582 CB VAL A 101 -0.825 6.324 11.705 1.00 0.00 C ATOM 1583 CG1 VAL A 101 0.218 7.423 11.934 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.117 5.019 11.330 1.00 0.00 C ATOM 0 H VAL A 101 -3.449 5.495 11.998 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.036 5.752 13.806 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.490 6.631 10.897 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.797 7.570 11.023 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.285 8.353 12.198 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.885 7.128 12.744 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.471 5.171 10.425 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.541 4.715 12.144 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.859 4.240 11.154 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.179 7.720 14.700 1.00 0.00 N ATOM 1595 CA LEU A 102 -2.781 8.981 15.220 1.00 0.00 C ATOM 1596 C LEU A 102 -1.922 9.539 16.359 1.00 0.00 C ATOM 1597 O LEU A 102 -0.961 8.926 16.779 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.183 8.603 15.715 1.00 0.00 C ATOM 1599 CG LEU A 102 -4.124 7.343 16.588 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.323 7.333 17.538 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -4.177 6.098 15.696 1.00 0.00 C ATOM 0 H LEU A 102 -1.688 7.155 15.393 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.835 9.756 14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.608 9.428 16.286 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.842 8.432 14.864 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.197 7.340 17.162 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.286 6.439 18.161 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.292 8.219 18.172 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.246 7.333 16.959 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.135 5.203 16.317 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.105 6.099 15.124 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.329 6.105 15.011 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.260 10.699 16.860 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.460 11.291 17.971 1.00 0.00 C ATOM 1615 C GLN A 103 -1.926 10.728 19.316 1.00 0.00 C ATOM 1616 O GLN A 103 -3.043 10.272 19.454 1.00 0.00 O ATOM 1617 CB GLN A 103 -1.729 12.795 17.896 1.00 0.00 C ATOM 1618 CG GLN A 103 -0.625 13.546 18.643 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.072 14.986 18.902 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -1.409 15.339 20.015 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -1.092 15.837 17.913 1.00 0.00 N ATOM 0 H GLN A 103 -3.053 11.260 16.548 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.398 11.063 17.882 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.764 13.118 16.856 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.701 13.024 18.334 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.406 13.047 19.587 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.294 13.539 18.057 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.809 15.540 16.979 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.391 16.799 18.074 1.00 0.00 H new ATOM 1630 N SER A 104 -1.075 10.755 20.308 1.00 0.00 N ATOM 1631 CA SER A 104 -1.467 10.220 21.643 1.00 0.00 C ATOM 1632 C SER A 104 -2.630 11.031 22.219 1.00 0.00 C ATOM 1633 O SER A 104 -3.042 12.027 21.655 1.00 0.00 O ATOM 1634 CB SER A 104 -0.223 10.376 22.518 1.00 0.00 C ATOM 1635 OG SER A 104 0.212 11.729 22.477 1.00 0.00 O ATOM 0 H SER A 104 -0.126 11.124 20.250 1.00 0.00 H new ATOM 0 HA SER A 104 -1.798 9.183 21.587 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.447 10.085 23.544 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.569 9.716 22.165 1.00 0.00 H new ATOM 0 HG SER A 104 1.009 11.834 23.038 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.164 10.613 23.336 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.301 11.359 23.949 1.00 0.00 C ATOM 1643 C GLY A 105 -5.593 11.035 23.196 1.00 0.00 C ATOM 1644 O GLY A 105 -6.482 11.858 23.092 1.00 0.00 O ATOM 0 H GLY A 105 -2.861 9.786 23.851 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.403 11.088 25.000 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.107 12.431 23.914 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.702 9.844 22.668 1.00 0.00 N ATOM 1649 CA GLN A 106 -6.938 9.468 21.920 1.00 0.00 C ATOM 1650 C GLN A 106 -7.364 8.043 22.287 1.00 0.00 C ATOM 1651 O GLN A 106 -6.607 7.288 22.866 1.00 0.00 O ATOM 1652 CB GLN A 106 -6.547 9.547 20.443 1.00 0.00 C ATOM 1653 CG GLN A 106 -7.809 9.666 19.585 1.00 0.00 C ATOM 1654 CD GLN A 106 -7.419 9.746 18.109 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -7.970 9.045 17.284 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -6.484 10.578 17.738 1.00 0.00 N ATOM 0 H GLN A 106 -4.989 9.116 22.722 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.778 10.122 22.154 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.897 10.406 20.274 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.983 8.659 20.157 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.458 8.807 19.754 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.373 10.554 19.871 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.021 11.167 18.430 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.216 10.639 16.756 1.00 0.00 H new ATOM 1665 N SER A 107 -8.574 7.673 21.958 1.00 0.00 N ATOM 1666 CA SER A 107 -9.054 6.298 22.287 1.00 0.00 C ATOM 1667 C SER A 107 -9.773 5.685 21.083 1.00 0.00 C ATOM 1668 O SER A 107 -9.972 6.330 20.073 1.00 0.00 O ATOM 1669 CB SER A 107 -10.025 6.489 23.451 1.00 0.00 C ATOM 1670 OG SER A 107 -9.399 7.264 24.465 1.00 0.00 O ATOM 0 H SER A 107 -9.251 8.264 21.475 1.00 0.00 H new ATOM 0 HA SER A 107 -8.236 5.625 22.543 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.931 6.986 23.105 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.325 5.521 23.851 1.00 0.00 H new ATOM 0 HG SER A 107 -10.021 7.389 25.212 1.00 0.00 H new ATOM 1676 N TRP A 108 -10.164 4.443 21.185 1.00 0.00 N ATOM 1677 CA TRP A 108 -10.873 3.785 20.047 1.00 0.00 C ATOM 1678 C TRP A 108 -12.346 4.200 20.036 1.00 0.00 C ATOM 1679 O TRP A 108 -12.878 4.663 21.027 1.00 0.00 O ATOM 1680 CB TRP A 108 -10.743 2.285 20.312 1.00 0.00 C ATOM 1681 CG TRP A 108 -9.358 1.837 19.970 1.00 0.00 C ATOM 1682 CD1 TRP A 108 -8.929 1.515 18.728 1.00 0.00 C ATOM 1683 CD2 TRP A 108 -8.215 1.656 20.857 1.00 0.00 C ATOM 1684 NE1 TRP A 108 -7.597 1.148 18.796 1.00 0.00 N ATOM 1685 CE2 TRP A 108 -7.112 1.217 20.088 1.00 0.00 C ATOM 1686 CE3 TRP A 108 -8.033 1.826 22.241 1.00 0.00 C ATOM 1687 CZ2 TRP A 108 -5.871 0.957 20.671 1.00 0.00 C ATOM 1688 CZ3 TRP A 108 -6.785 1.565 22.831 1.00 0.00 C ATOM 1689 CH2 TRP A 108 -5.707 1.131 22.047 1.00 0.00 C ATOM 0 H TRP A 108 -10.024 3.855 22.006 1.00 0.00 H new ATOM 0 HA TRP A 108 -10.454 4.066 19.081 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -10.958 2.070 21.359 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.472 1.735 19.717 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -9.529 1.540 17.830 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -7.041 0.861 17.991 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -8.857 2.159 22.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.043 0.624 20.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -6.655 1.700 23.895 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.750 0.931 22.507 1.00 0.00 H new ATOM 1700 N SER A 109 -13.010 4.041 18.922 1.00 0.00 N ATOM 1701 CA SER A 109 -14.450 4.426 18.846 1.00 0.00 C ATOM 1702 C SER A 109 -15.328 3.310 19.426 1.00 0.00 C ATOM 1703 O SER A 109 -15.398 2.231 18.871 1.00 0.00 O ATOM 1704 CB SER A 109 -14.732 4.609 17.355 1.00 0.00 C ATOM 1705 OG SER A 109 -15.682 5.653 17.183 1.00 0.00 O ATOM 0 H SER A 109 -12.617 3.661 18.061 1.00 0.00 H new ATOM 0 HA SER A 109 -14.667 5.329 19.416 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.810 4.849 16.825 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.112 3.681 16.928 1.00 0.00 H new ATOM 0 HG SER A 109 -15.865 5.775 16.228 1.00 0.00 H new ATOM 1711 N PRO A 110 -15.974 3.601 20.530 1.00 0.00 N ATOM 1712 CA PRO A 110 -16.853 2.595 21.180 1.00 0.00 C ATOM 1713 C PRO A 110 -18.135 2.401 20.368 1.00 0.00 C ATOM 1714 O PRO A 110 -18.410 3.139 19.440 1.00 0.00 O ATOM 1715 CB PRO A 110 -17.160 3.212 22.542 1.00 0.00 C ATOM 1716 CG PRO A 110 -16.987 4.685 22.348 1.00 0.00 C ATOM 1717 CD PRO A 110 -15.952 4.872 21.269 1.00 0.00 C ATOM 0 HA PRO A 110 -16.392 1.611 21.258 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -18.173 2.973 22.864 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -16.484 2.833 23.308 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -17.931 5.149 22.061 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -16.667 5.161 23.275 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -16.198 5.714 20.622 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -14.967 5.071 21.691 1.00 0.00 H new ATOM 1725 N THR A 111 -18.923 1.417 20.711 1.00 0.00 N ATOM 1726 CA THR A 111 -20.190 1.176 19.961 1.00 0.00 C ATOM 1727 C THR A 111 -21.386 1.683 20.770 1.00 0.00 C ATOM 1728 O THR A 111 -21.917 0.986 21.613 1.00 0.00 O ATOM 1729 CB THR A 111 -20.266 -0.342 19.784 1.00 0.00 C ATOM 1730 OG1 THR A 111 -19.079 -0.803 19.155 1.00 0.00 O ATOM 1731 CG2 THR A 111 -21.476 -0.696 18.918 1.00 0.00 C ATOM 0 H THR A 111 -18.744 0.769 21.478 1.00 0.00 H new ATOM 0 HA THR A 111 -20.209 1.698 19.004 1.00 0.00 H new ATOM 0 HB THR A 111 -20.369 -0.818 20.759 1.00 0.00 H new ATOM 0 HG1 THR A 111 -19.125 -1.775 19.042 1.00 0.00 H new ATOM 0 HG21 THR A 111 -21.530 -1.777 18.792 1.00 0.00 H new ATOM 0 HG22 THR A 111 -22.386 -0.341 19.402 1.00 0.00 H new ATOM 0 HG23 THR A 111 -21.376 -0.222 17.942 1.00 0.00 H new ATOM 1739 N ARG A 112 -21.811 2.893 20.521 1.00 0.00 N ATOM 1740 CA ARG A 112 -22.974 3.451 21.276 1.00 0.00 C ATOM 1741 C ARG A 112 -24.195 2.534 21.134 1.00 0.00 C ATOM 1742 O ARG A 112 -24.259 1.703 20.249 1.00 0.00 O ATOM 1743 CB ARG A 112 -23.249 4.816 20.636 1.00 0.00 C ATOM 1744 CG ARG A 112 -23.593 4.633 19.156 1.00 0.00 C ATOM 1745 CD ARG A 112 -23.563 5.990 18.448 1.00 0.00 C ATOM 1746 NE ARG A 112 -22.504 5.862 17.410 1.00 0.00 N ATOM 1747 CZ ARG A 112 -22.688 6.375 16.224 1.00 0.00 C ATOM 1748 NH1 ARG A 112 -23.682 5.968 15.484 1.00 0.00 N ATOM 1749 NH2 ARG A 112 -21.877 7.294 15.778 1.00 0.00 N ATOM 0 H ARG A 112 -21.404 3.520 19.827 1.00 0.00 H new ATOM 0 HA ARG A 112 -22.767 3.536 22.343 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -24.072 5.311 21.152 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -22.375 5.459 20.739 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -22.881 3.952 18.689 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -24.580 4.181 19.055 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -24.529 6.222 17.999 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -23.335 6.795 19.147 1.00 0.00 H new ATOM 0 HE ARG A 112 -21.635 5.374 17.625 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -24.316 5.249 15.832 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -23.826 6.369 14.557 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -21.099 7.612 16.356 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -22.021 7.695 14.851 1.00 0.00 H new ATOM 1763 N SER A 113 -25.161 2.680 22.001 1.00 0.00 N ATOM 1764 CA SER A 113 -26.376 1.820 21.918 1.00 0.00 C ATOM 1765 C SER A 113 -27.513 2.430 22.743 1.00 0.00 C ATOM 1766 O SER A 113 -28.312 1.728 23.330 1.00 0.00 O ATOM 1767 CB SER A 113 -25.949 0.475 22.506 1.00 0.00 C ATOM 1768 OG SER A 113 -26.590 -0.575 21.793 1.00 0.00 O ATOM 0 H SER A 113 -25.161 3.358 22.763 1.00 0.00 H new ATOM 0 HA SER A 113 -26.743 1.721 20.897 1.00 0.00 H new ATOM 0 HB2 SER A 113 -24.866 0.365 22.443 1.00 0.00 H new ATOM 0 HB3 SER A 113 -26.213 0.427 23.562 1.00 0.00 H new ATOM 0 HG SER A 113 -26.317 -1.439 22.167 1.00 0.00 H new ATOM 1774 N GLY A 114 -27.589 3.733 22.790 1.00 0.00 N ATOM 1775 CA GLY A 114 -28.673 4.393 23.574 1.00 0.00 C ATOM 1776 C GLY A 114 -28.269 5.834 23.892 1.00 0.00 C ATOM 1777 O GLY A 114 -28.808 6.775 23.341 1.00 0.00 O ATOM 0 H GLY A 114 -26.946 4.370 22.319 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -29.604 4.382 23.008 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -28.855 3.843 24.497 1.00 0.00 H new ATOM 1781 N VAL A 115 -27.324 6.014 24.776 1.00 0.00 N ATOM 1782 CA VAL A 115 -26.884 7.395 25.130 1.00 0.00 C ATOM 1783 C VAL A 115 -25.411 7.594 24.749 1.00 0.00 C ATOM 1784 O VAL A 115 -24.677 6.645 24.563 1.00 0.00 O ATOM 1785 CB VAL A 115 -27.074 7.496 26.647 1.00 0.00 C ATOM 1786 CG1 VAL A 115 -26.248 6.411 27.348 1.00 0.00 C ATOM 1787 CG2 VAL A 115 -26.615 8.875 27.129 1.00 0.00 C ATOM 0 H VAL A 115 -26.838 5.265 25.268 1.00 0.00 H new ATOM 0 HA VAL A 115 -27.451 8.161 24.601 1.00 0.00 H new ATOM 0 HB VAL A 115 -28.128 7.357 26.886 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -26.387 6.488 28.426 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -26.576 5.428 27.009 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -25.193 6.545 27.108 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -26.750 8.947 28.208 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -25.562 9.014 26.885 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -27.206 9.648 26.637 1.00 0.00 H new ATOM 1797 N LEU A 116 -24.980 8.822 24.637 1.00 0.00 N ATOM 1798 CA LEU A 116 -23.556 9.084 24.272 1.00 0.00 C ATOM 1799 C LEU A 116 -22.802 9.658 25.475 1.00 0.00 C ATOM 1800 O LEU A 116 -23.354 9.809 26.548 1.00 0.00 O ATOM 1801 CB LEU A 116 -23.620 10.109 23.136 1.00 0.00 C ATOM 1802 CG LEU A 116 -23.395 9.414 21.789 1.00 0.00 C ATOM 1803 CD1 LEU A 116 -22.009 8.762 21.769 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -24.464 8.338 21.580 1.00 0.00 C ATOM 0 H LEU A 116 -25.551 9.655 24.782 1.00 0.00 H new ATOM 0 HA LEU A 116 -23.031 8.177 23.971 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -24.589 10.608 23.140 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -22.864 10.880 23.288 1.00 0.00 H new ATOM 0 HG LEU A 116 -23.460 10.153 20.990 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -21.853 8.269 20.810 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -21.245 9.526 21.913 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -21.941 8.026 22.570 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -24.302 7.845 20.621 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -24.401 7.602 22.382 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -25.451 8.800 21.588 1.00 0.00 H new ATOM 1816 N HIS A 117 -21.547 9.975 25.305 1.00 0.00 N ATOM 1817 CA HIS A 117 -20.758 10.537 26.440 1.00 0.00 C ATOM 1818 C HIS A 117 -19.457 11.160 25.928 1.00 0.00 C ATOM 1819 O HIS A 117 -19.107 11.029 24.772 1.00 0.00 O ATOM 1820 CB HIS A 117 -20.463 9.342 27.351 1.00 0.00 C ATOM 1821 CG HIS A 117 -19.721 8.285 26.576 1.00 0.00 C ATOM 1822 ND1 HIS A 117 -18.445 7.875 26.925 1.00 0.00 N ATOM 1823 CD2 HIS A 117 -20.064 7.547 25.472 1.00 0.00 C ATOM 1824 CE1 HIS A 117 -18.068 6.930 26.042 1.00 0.00 C ATOM 1825 NE2 HIS A 117 -19.020 6.693 25.135 1.00 0.00 N ATOM 0 H HIS A 117 -21.034 9.869 24.430 1.00 0.00 H new ATOM 0 HA HIS A 117 -21.298 11.325 26.965 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.870 9.663 28.207 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -21.394 8.933 27.743 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.003 7.619 24.944 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -17.113 6.426 26.065 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -18.988 6.029 24.362 1.00 0.00 H new ATOM 1833 N HIS A 118 -18.739 11.837 26.783 1.00 0.00 N ATOM 1834 CA HIS A 118 -17.458 12.470 26.355 1.00 0.00 C ATOM 1835 C HIS A 118 -16.600 12.796 27.581 1.00 0.00 C ATOM 1836 O HIS A 118 -17.024 13.503 28.475 1.00 0.00 O ATOM 1837 CB HIS A 118 -17.871 13.755 25.629 1.00 0.00 C ATOM 1838 CG HIS A 118 -17.520 13.647 24.170 1.00 0.00 C ATOM 1839 ND1 HIS A 118 -16.207 13.595 23.728 1.00 0.00 N ATOM 1840 CD2 HIS A 118 -18.298 13.583 23.041 1.00 0.00 C ATOM 1841 CE1 HIS A 118 -16.235 13.501 22.386 1.00 0.00 C ATOM 1842 NE2 HIS A 118 -17.485 13.490 21.917 1.00 0.00 N ATOM 0 H HIS A 118 -18.985 11.979 27.763 1.00 0.00 H new ATOM 0 HA HIS A 118 -16.866 11.816 25.715 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -18.942 13.921 25.744 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -17.366 14.613 26.072 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -19.378 13.602 23.028 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -15.354 13.442 21.764 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -17.780 13.427 20.943 1.00 0.00 H new ATOM 1850 N HIS A 119 -15.399 12.287 27.629 1.00 0.00 N ATOM 1851 CA HIS A 119 -14.515 12.565 28.798 1.00 0.00 C ATOM 1852 C HIS A 119 -13.056 12.682 28.343 1.00 0.00 C ATOM 1853 O HIS A 119 -12.490 11.754 27.801 1.00 0.00 O ATOM 1854 CB HIS A 119 -14.694 11.362 29.727 1.00 0.00 C ATOM 1855 CG HIS A 119 -14.838 11.837 31.147 1.00 0.00 C ATOM 1856 ND1 HIS A 119 -13.971 11.438 32.152 1.00 0.00 N ATOM 1857 CD2 HIS A 119 -15.744 12.678 31.746 1.00 0.00 C ATOM 1858 CE1 HIS A 119 -14.371 12.032 33.291 1.00 0.00 C ATOM 1859 NE2 HIS A 119 -15.446 12.800 33.100 1.00 0.00 N ATOM 0 H HIS A 119 -14.991 11.690 26.909 1.00 0.00 H new ATOM 0 HA HIS A 119 -14.768 13.502 29.293 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -15.575 10.791 29.433 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -13.837 10.693 29.642 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -16.563 13.170 31.243 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -13.881 11.903 34.245 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -15.942 13.356 33.796 1.00 0.00 H new ATOM 1867 N HIS A 120 -12.447 13.818 28.562 1.00 0.00 N ATOM 1868 CA HIS A 120 -11.026 13.997 28.142 1.00 0.00 C ATOM 1869 C HIS A 120 -10.219 14.632 29.278 1.00 0.00 C ATOM 1870 O HIS A 120 -9.354 14.008 29.861 1.00 0.00 O ATOM 1871 CB HIS A 120 -11.083 14.932 26.936 1.00 0.00 C ATOM 1872 CG HIS A 120 -11.311 14.127 25.687 1.00 0.00 C ATOM 1873 ND1 HIS A 120 -10.550 13.009 25.379 1.00 0.00 N ATOM 1874 CD2 HIS A 120 -12.211 14.262 24.658 1.00 0.00 C ATOM 1875 CE1 HIS A 120 -11.001 12.521 24.209 1.00 0.00 C ATOM 1876 NE2 HIS A 120 -12.013 13.246 23.726 1.00 0.00 N ATOM 0 H HIS A 120 -12.872 14.628 29.013 1.00 0.00 H new ATOM 0 HA HIS A 120 -10.543 13.050 27.898 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -11.885 15.659 27.064 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.153 15.494 26.854 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -9.787 12.626 25.938 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -12.958 15.038 24.583 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -10.594 11.649 23.720 1.00 0.00 H new ATOM 1884 N HIS A 121 -10.493 15.868 29.595 1.00 0.00 N ATOM 1885 CA HIS A 121 -9.741 16.544 30.693 1.00 0.00 C ATOM 1886 C HIS A 121 -10.273 16.092 32.057 1.00 0.00 C ATOM 1887 O HIS A 121 -11.167 15.273 32.144 1.00 0.00 O ATOM 1888 CB HIS A 121 -9.983 18.043 30.487 1.00 0.00 C ATOM 1889 CG HIS A 121 -11.458 18.338 30.562 1.00 0.00 C ATOM 1890 ND1 HIS A 121 -12.130 18.439 31.770 1.00 0.00 N ATOM 1891 CD2 HIS A 121 -12.401 18.554 29.588 1.00 0.00 C ATOM 1892 CE1 HIS A 121 -13.420 18.708 31.495 1.00 0.00 C ATOM 1893 NE2 HIS A 121 -13.639 18.788 30.179 1.00 0.00 N ATOM 0 H HIS A 121 -11.205 16.440 29.141 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.679 16.301 30.672 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -9.450 18.614 31.247 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -9.590 18.354 29.519 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -12.211 18.544 28.525 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -14.184 18.843 32.246 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -14.524 18.979 29.709 1.00 0.00 H new ATOM 1901 N HIS A 122 -9.731 16.622 33.121 1.00 0.00 N ATOM 1902 CA HIS A 122 -10.204 16.224 34.480 1.00 0.00 C ATOM 1903 C HIS A 122 -9.876 17.321 35.498 1.00 0.00 C ATOM 1904 O HIS A 122 -9.818 18.473 35.099 1.00 0.00 O ATOM 1905 CB HIS A 122 -9.444 14.937 34.809 1.00 0.00 C ATOM 1906 CG HIS A 122 -7.960 15.190 34.750 1.00 0.00 C ATOM 1907 ND1 HIS A 122 -7.255 15.171 33.557 1.00 0.00 N ATOM 1908 CD2 HIS A 122 -7.037 15.471 35.727 1.00 0.00 C ATOM 1909 CE1 HIS A 122 -5.967 15.432 33.845 1.00 0.00 C ATOM 1910 NE2 HIS A 122 -5.780 15.623 35.152 1.00 0.00 N ATOM 1911 OXT HIS A 122 -9.691 16.990 36.656 1.00 0.00 O ATOM 0 H HIS A 122 -8.981 17.313 33.108 1.00 0.00 H new ATOM 0 HA HIS A 122 -11.283 16.075 34.512 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -9.722 14.583 35.802 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -9.717 14.153 34.103 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -7.254 15.560 36.781 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -5.180 15.481 33.107 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -4.903 15.835 35.628 1.00 0.00 H new TER 1919 HIS A 122