USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1112 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 54 ASN : amide:sc= -0.392 K(o=-0.36,f=-8.9!) USER MOD Set 1.2: A 55 HIS :FLIP no HE2:sc= 0.0289 F(o=-3.6,f=-0.36) USER MOD Set 2.1: A 16 TYR OH : rot 38:sc= 1.19 USER MOD Set 2.2: A 52 GLN : amide:sc= 0.535 X(o=1.7,f=1.3) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -2.52! C(o=-2.5!,f=-5.7!) USER MOD Single : A 9 SER OG : rot 75:sc= 1.57 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.549 K(o=0.55,f=-7.9!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -118:sc= 0.243 USER MOD Single : A 37 SER OG : rot 180:sc= -0.649 USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.0101 (180deg=-0.154) USER MOD Single : A 43 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.68! X(o=-1.7!,f=-1.7) USER MOD Single : A 62 MET CE :methyl -169:sc= -0.662 (180deg=-0.885) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.222) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.563 F(o=-2.4!,f=-0.56) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 65:sc= 0.697 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 165:sc= -0.258 (180deg=-0.898) USER MOD Single : A 83 HIS : no HD1:sc= -0.0686 X(o=-0.069,f=-0.15) USER MOD Single : A 97 THR OG1 : rot 66:sc= 1.69 USER MOD Single : A 100 SER OG : rot -140:sc= -0.657 USER MOD Single : A 107 LYS NZ :NH3+ 175:sc= 1.08 (180deg=1) USER MOD Single : A 108 HIS : no HD1:sc= 0.389 K(o=0.39,f=-1.6) USER MOD Single : A 110 LYS NZ :NH3+ -167:sc= -0.0736 (180deg=-0.316) USER MOD Single : A 111 THR OG1 : rot 70:sc= 1.13 USER MOD Single : A 113 ASN : amide:sc=-0.00382 X(o=-0.0038,f=0) USER MOD Single : A 114 GLN : amide:sc= 0.00217 X(o=0.0022,f=0.11) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 150:sc= 0 USER MOD Single : A 124 SER OG : rot 63:sc= 0.469 USER MOD Single : A 126 THR OG1 : rot 74:sc= -0.935! USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ -142:sc= 1.24 (180deg=0.807) USER MOD Single : A 140 GLN : amide:sc= -0.0985 X(o=-0.099,f=-0.075) USER MOD Single : A 151 HIS : no HD1:sc= -0.0731 X(o=-0.073,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 3.499 -3.110 -5.582 1.00 15.41 N ATOM 36 CA ASP A 3 4.140 -3.507 -6.842 1.00 60.32 C ATOM 37 C ASP A 3 3.128 -4.173 -7.791 1.00 5.41 C ATOM 38 O ASP A 3 2.188 -4.844 -7.347 1.00 24.55 O ATOM 39 CB ASP A 3 5.300 -4.480 -6.575 1.00 3.10 C ATOM 40 CG ASP A 3 6.486 -3.818 -5.893 1.00 54.01 C ATOM 41 OD1 ASP A 3 7.335 -3.235 -6.602 1.00 32.43 O ATOM 42 OD2 ASP A 3 6.581 -3.882 -4.650 1.00 63.23 O ATOM 0 HA ASP A 3 4.526 -2.603 -7.314 1.00 60.32 H new ATOM 0 HB2 ASP A 3 4.942 -5.301 -5.954 1.00 3.10 H new ATOM 0 HB3 ASP A 3 5.627 -4.914 -7.520 1.00 3.10 H new ATOM 47 N GLU A 4 3.329 -4.003 -9.097 1.00 44.22 N ATOM 48 CA GLU A 4 2.470 -4.647 -10.098 1.00 3.42 C ATOM 49 C GLU A 4 2.507 -6.177 -9.937 1.00 72.13 C ATOM 50 O GLU A 4 1.521 -6.869 -10.205 1.00 74.14 O ATOM 51 CB GLU A 4 2.902 -4.229 -11.513 1.00 3.14 C ATOM 52 CG GLU A 4 4.289 -4.724 -11.919 1.00 4.44 C ATOM 53 CD GLU A 4 4.911 -3.896 -13.035 1.00 12.14 C ATOM 54 OE1 GLU A 4 4.598 -4.149 -14.218 1.00 13.42 O ATOM 55 OE2 GLU A 4 5.709 -2.984 -12.725 1.00 41.43 O ATOM 0 H GLU A 4 4.075 -3.428 -9.489 1.00 44.22 H new ATOM 0 HA GLU A 4 1.442 -4.319 -9.943 1.00 3.42 H new ATOM 0 HB2 GLU A 4 2.171 -4.605 -12.229 1.00 3.14 H new ATOM 0 HB3 GLU A 4 2.883 -3.141 -11.579 1.00 3.14 H new ATOM 0 HG2 GLU A 4 4.945 -4.703 -11.049 1.00 4.44 H new ATOM 0 HG3 GLU A 4 4.219 -5.763 -12.241 1.00 4.44 H new ATOM 62 N LEU A 5 3.649 -6.692 -9.469 1.00 44.31 N ATOM 63 CA LEU A 5 3.785 -8.111 -9.128 1.00 71.03 C ATOM 64 C LEU A 5 2.819 -8.497 -7.996 1.00 14.32 C ATOM 65 O LEU A 5 2.166 -9.543 -8.046 1.00 14.53 O ATOM 66 CB LEU A 5 5.231 -8.417 -8.703 1.00 72.54 C ATOM 67 CG LEU A 5 5.504 -9.875 -8.287 1.00 20.21 C ATOM 68 CD1 LEU A 5 5.342 -10.822 -9.476 1.00 42.11 C ATOM 69 CD2 LEU A 5 6.894 -10.008 -7.663 1.00 21.41 C ATOM 0 H LEU A 5 4.496 -6.144 -9.317 1.00 44.31 H new ATOM 0 HA LEU A 5 3.537 -8.698 -10.012 1.00 71.03 H new ATOM 0 HB2 LEU A 5 5.896 -8.162 -9.528 1.00 72.54 H new ATOM 0 HB3 LEU A 5 5.493 -7.764 -7.870 1.00 72.54 H new ATOM 0 HG LEU A 5 4.768 -10.157 -7.534 1.00 20.21 H new ATOM 0 HD11 LEU A 5 5.540 -11.845 -9.156 1.00 42.11 H new ATOM 0 HD12 LEU A 5 4.324 -10.753 -9.860 1.00 42.11 H new ATOM 0 HD13 LEU A 5 6.046 -10.545 -10.261 1.00 42.11 H new ATOM 0 HD21 LEU A 5 7.066 -11.045 -7.376 1.00 21.41 H new ATOM 0 HD22 LEU A 5 7.649 -9.701 -8.387 1.00 21.41 H new ATOM 0 HD23 LEU A 5 6.959 -9.372 -6.780 1.00 21.41 H new ATOM 81 N TYR A 6 2.730 -7.641 -6.976 1.00 74.12 N ATOM 82 CA TYR A 6 1.814 -7.869 -5.852 1.00 32.45 C ATOM 83 C TYR A 6 0.357 -7.862 -6.331 1.00 72.44 C ATOM 84 O TYR A 6 -0.419 -8.753 -5.996 1.00 73.12 O ATOM 85 CB TYR A 6 2.013 -6.803 -4.759 1.00 74.31 C ATOM 86 CG TYR A 6 1.069 -6.956 -3.569 1.00 43.30 C ATOM 87 CD1 TYR A 6 -0.189 -6.355 -3.567 1.00 41.34 C ATOM 88 CD2 TYR A 6 1.432 -7.705 -2.453 1.00 34.53 C ATOM 89 CE1 TYR A 6 -1.049 -6.498 -2.496 1.00 15.24 C ATOM 90 CE2 TYR A 6 0.573 -7.853 -1.379 1.00 12.34 C ATOM 91 CZ TYR A 6 -0.665 -7.246 -1.406 1.00 62.31 C ATOM 92 OH TYR A 6 -1.524 -7.391 -0.341 1.00 73.51 O ATOM 0 H TYR A 6 3.279 -6.785 -6.903 1.00 74.12 H new ATOM 0 HA TYR A 6 2.040 -8.848 -5.429 1.00 32.45 H new ATOM 0 HB2 TYR A 6 3.042 -6.849 -4.403 1.00 74.31 H new ATOM 0 HB3 TYR A 6 1.872 -5.815 -5.198 1.00 74.31 H new ATOM 0 HD1 TYR A 6 -0.497 -5.767 -4.419 1.00 41.34 H new ATOM 0 HD2 TYR A 6 2.402 -8.179 -2.425 1.00 34.53 H new ATOM 0 HE1 TYR A 6 -2.020 -6.025 -2.514 1.00 15.24 H new ATOM 0 HE2 TYR A 6 0.870 -8.441 -0.523 1.00 12.34 H new ATOM 0 HH TYR A 6 -1.102 -7.949 0.346 1.00 73.51 H new ATOM 102 N ARG A 7 -0.008 -6.845 -7.112 1.00 54.52 N ATOM 103 CA ARG A 7 -1.365 -6.740 -7.665 1.00 53.10 C ATOM 104 C ARG A 7 -1.730 -7.959 -8.526 1.00 60.12 C ATOM 105 O ARG A 7 -2.863 -8.439 -8.487 1.00 72.33 O ATOM 106 CB ARG A 7 -1.518 -5.450 -8.487 1.00 45.33 C ATOM 107 CG ARG A 7 -1.740 -4.195 -7.645 1.00 72.03 C ATOM 108 CD ARG A 7 -2.997 -4.313 -6.783 1.00 63.20 C ATOM 109 NE ARG A 7 -4.145 -4.800 -7.550 1.00 30.15 N ATOM 110 CZ ARG A 7 -5.316 -5.078 -7.039 1.00 51.40 C ATOM 111 NH1 ARG A 7 -5.570 -4.859 -5.788 1.00 30.11 N ATOM 112 NH2 ARG A 7 -6.238 -5.572 -7.795 1.00 61.43 N ATOM 0 H ARG A 7 0.614 -6.081 -7.378 1.00 54.52 H new ATOM 0 HA ARG A 7 -2.054 -6.710 -6.821 1.00 53.10 H new ATOM 0 HB2 ARG A 7 -0.625 -5.312 -9.096 1.00 45.33 H new ATOM 0 HB3 ARG A 7 -2.357 -5.567 -9.173 1.00 45.33 H new ATOM 0 HG2 ARG A 7 -0.874 -4.027 -7.005 1.00 72.03 H new ATOM 0 HG3 ARG A 7 -1.826 -3.327 -8.299 1.00 72.03 H new ATOM 0 HD2 ARG A 7 -2.804 -4.990 -5.951 1.00 63.20 H new ATOM 0 HD3 ARG A 7 -3.235 -3.340 -6.354 1.00 63.20 H new ATOM 0 HE ARG A 7 -4.023 -4.932 -8.554 1.00 30.15 H new ATOM 0 HH11 ARG A 7 -4.850 -4.463 -5.183 1.00 30.11 H new ATOM 0 HH12 ARG A 7 -6.490 -5.082 -5.408 1.00 30.11 H new ATOM 0 HH21 ARG A 7 -6.050 -5.743 -8.783 1.00 61.43 H new ATOM 0 HH22 ARG A 7 -7.154 -5.792 -7.405 1.00 61.43 H new ATOM 126 N GLN A 8 -0.771 -8.451 -9.305 1.00 21.23 N ATOM 127 CA GLN A 8 -0.981 -9.658 -10.110 1.00 23.21 C ATOM 128 C GLN A 8 -1.232 -10.883 -9.213 1.00 13.24 C ATOM 129 O GLN A 8 -2.224 -11.597 -9.377 1.00 74.12 O ATOM 130 CB GLN A 8 0.237 -9.915 -11.010 1.00 11.45 C ATOM 131 CG GLN A 8 0.115 -11.169 -11.871 1.00 13.21 C ATOM 132 CD GLN A 8 -0.919 -11.039 -12.979 1.00 42.13 C ATOM 133 OE1 GLN A 8 -1.886 -10.292 -12.874 1.00 41.25 O ATOM 134 NE2 GLN A 8 -0.729 -11.781 -14.046 1.00 35.23 N ATOM 0 H GLN A 8 0.157 -8.037 -9.398 1.00 21.23 H new ATOM 0 HA GLN A 8 -1.862 -9.499 -10.732 1.00 23.21 H new ATOM 0 HB2 GLN A 8 0.385 -9.053 -11.660 1.00 11.45 H new ATOM 0 HB3 GLN A 8 1.127 -10.000 -10.386 1.00 11.45 H new ATOM 0 HG2 GLN A 8 1.086 -11.393 -12.314 1.00 13.21 H new ATOM 0 HG3 GLN A 8 -0.148 -12.014 -11.235 1.00 13.21 H new ATOM 0 HE21 GLN A 8 0.085 -12.392 -14.104 1.00 35.23 H new ATOM 0 HE22 GLN A 8 -1.396 -11.746 -14.817 1.00 35.23 H new ATOM 143 N SER A 9 -0.330 -11.103 -8.259 1.00 23.01 N ATOM 144 CA SER A 9 -0.429 -12.239 -7.329 1.00 1.45 C ATOM 145 C SER A 9 -1.736 -12.186 -6.525 1.00 11.20 C ATOM 146 O SER A 9 -2.442 -13.186 -6.391 1.00 21.14 O ATOM 147 CB SER A 9 0.770 -12.244 -6.367 1.00 1.43 C ATOM 148 OG SER A 9 2.001 -12.254 -7.077 1.00 72.11 O ATOM 0 H SER A 9 0.485 -10.509 -8.105 1.00 23.01 H new ATOM 0 HA SER A 9 -0.424 -13.155 -7.919 1.00 1.45 H new ATOM 0 HB2 SER A 9 0.726 -11.366 -5.723 1.00 1.43 H new ATOM 0 HB3 SER A 9 0.715 -13.118 -5.718 1.00 1.43 H new ATOM 0 HG SER A 9 2.173 -11.363 -7.446 1.00 72.11 H new ATOM 154 N LEU A 10 -2.052 -11.002 -6.004 1.00 11.23 N ATOM 155 CA LEU A 10 -3.282 -10.784 -5.236 1.00 54.11 C ATOM 156 C LEU A 10 -4.532 -11.045 -6.090 1.00 20.12 C ATOM 157 O LEU A 10 -5.513 -11.607 -5.609 1.00 30.31 O ATOM 158 CB LEU A 10 -3.311 -9.352 -4.680 1.00 73.44 C ATOM 159 CG LEU A 10 -4.555 -8.988 -3.850 1.00 42.13 C ATOM 160 CD1 LEU A 10 -4.677 -9.896 -2.627 1.00 13.52 C ATOM 161 CD2 LEU A 10 -4.513 -7.517 -3.437 1.00 33.24 C ATOM 0 H LEU A 10 -1.469 -10.170 -6.100 1.00 11.23 H new ATOM 0 HA LEU A 10 -3.289 -11.492 -4.407 1.00 54.11 H new ATOM 0 HB2 LEU A 10 -2.426 -9.203 -4.061 1.00 73.44 H new ATOM 0 HB3 LEU A 10 -3.236 -8.655 -5.515 1.00 73.44 H new ATOM 0 HG LEU A 10 -5.438 -9.142 -4.471 1.00 42.13 H new ATOM 0 HD11 LEU A 10 -5.563 -9.620 -2.056 1.00 13.52 H new ATOM 0 HD12 LEU A 10 -4.763 -10.933 -2.951 1.00 13.52 H new ATOM 0 HD13 LEU A 10 -3.792 -9.783 -2.001 1.00 13.52 H new ATOM 0 HD21 LEU A 10 -5.401 -7.278 -2.851 1.00 33.24 H new ATOM 0 HD22 LEU A 10 -3.622 -7.333 -2.837 1.00 33.24 H new ATOM 0 HD23 LEU A 10 -4.487 -6.890 -4.328 1.00 33.24 H new ATOM 173 N GLU A 11 -4.485 -10.638 -7.357 1.00 4.54 N ATOM 174 CA GLU A 11 -5.594 -10.872 -8.291 1.00 44.53 C ATOM 175 C GLU A 11 -5.911 -12.373 -8.401 1.00 65.24 C ATOM 176 O GLU A 11 -7.060 -12.801 -8.240 1.00 13.25 O ATOM 177 CB GLU A 11 -5.223 -10.325 -9.678 1.00 43.35 C ATOM 178 CG GLU A 11 -6.341 -10.422 -10.714 1.00 23.01 C ATOM 179 CD GLU A 11 -7.410 -9.355 -10.535 1.00 11.20 C ATOM 180 OE1 GLU A 11 -8.267 -9.500 -9.640 1.00 44.42 O ATOM 181 OE2 GLU A 11 -7.400 -8.365 -11.296 1.00 25.02 O ATOM 0 H GLU A 11 -3.691 -10.144 -7.765 1.00 4.54 H new ATOM 0 HA GLU A 11 -6.477 -10.357 -7.913 1.00 44.53 H new ATOM 0 HB2 GLU A 11 -4.928 -9.281 -9.576 1.00 43.35 H new ATOM 0 HB3 GLU A 11 -4.353 -10.867 -10.048 1.00 43.35 H new ATOM 0 HG2 GLU A 11 -5.912 -10.335 -11.712 1.00 23.01 H new ATOM 0 HG3 GLU A 11 -6.804 -11.407 -10.650 1.00 23.01 H new ATOM 188 N ILE A 12 -4.869 -13.163 -8.657 1.00 45.43 N ATOM 189 CA ILE A 12 -5.000 -14.615 -8.811 1.00 14.14 C ATOM 190 C ILE A 12 -5.533 -15.275 -7.527 1.00 44.41 C ATOM 191 O ILE A 12 -6.541 -15.988 -7.547 1.00 4.31 O ATOM 192 CB ILE A 12 -3.632 -15.252 -9.176 1.00 61.13 C ATOM 193 CG1 ILE A 12 -3.027 -14.557 -10.410 1.00 10.11 C ATOM 194 CG2 ILE A 12 -3.779 -16.755 -9.421 1.00 31.01 C ATOM 195 CD1 ILE A 12 -1.615 -14.997 -10.740 1.00 72.22 C ATOM 0 H ILE A 12 -3.915 -12.819 -8.763 1.00 45.43 H new ATOM 0 HA ILE A 12 -5.714 -14.788 -9.616 1.00 14.14 H new ATOM 0 HB ILE A 12 -2.954 -15.112 -8.334 1.00 61.13 H new ATOM 0 HG12 ILE A 12 -3.666 -14.750 -11.272 1.00 10.11 H new ATOM 0 HG13 ILE A 12 -3.031 -13.480 -10.245 1.00 10.11 H new ATOM 0 HG21 ILE A 12 -2.808 -17.179 -9.675 1.00 31.01 H new ATOM 0 HG22 ILE A 12 -4.160 -17.235 -8.520 1.00 31.01 H new ATOM 0 HG23 ILE A 12 -4.475 -16.923 -10.243 1.00 31.01 H new ATOM 0 HD11 ILE A 12 -1.263 -14.460 -11.621 1.00 72.22 H new ATOM 0 HD12 ILE A 12 -0.960 -14.779 -9.897 1.00 72.22 H new ATOM 0 HD13 ILE A 12 -1.605 -16.069 -10.940 1.00 72.22 H new ATOM 207 N ILE A 13 -4.854 -15.017 -6.413 1.00 34.25 N ATOM 208 CA ILE A 13 -5.204 -15.621 -5.125 1.00 71.13 C ATOM 209 C ILE A 13 -6.597 -15.179 -4.637 1.00 32.41 C ATOM 210 O ILE A 13 -7.408 -16.009 -4.221 1.00 34.42 O ATOM 211 CB ILE A 13 -4.136 -15.281 -4.055 1.00 0.31 C ATOM 212 CG1 ILE A 13 -2.755 -15.798 -4.507 1.00 23.12 C ATOM 213 CG2 ILE A 13 -4.522 -15.870 -2.697 1.00 5.10 C ATOM 214 CD1 ILE A 13 -1.618 -15.424 -3.578 1.00 33.31 C ATOM 0 H ILE A 13 -4.051 -14.389 -6.374 1.00 34.25 H new ATOM 0 HA ILE A 13 -5.232 -16.700 -5.275 1.00 71.13 H new ATOM 0 HB ILE A 13 -4.083 -14.198 -3.945 1.00 0.31 H new ATOM 0 HG12 ILE A 13 -2.796 -16.884 -4.594 1.00 23.12 H new ATOM 0 HG13 ILE A 13 -2.541 -15.407 -5.502 1.00 23.12 H new ATOM 0 HG21 ILE A 13 -3.758 -15.619 -1.961 1.00 5.10 H new ATOM 0 HG22 ILE A 13 -5.480 -15.458 -2.381 1.00 5.10 H new ATOM 0 HG23 ILE A 13 -4.603 -16.954 -2.780 1.00 5.10 H new ATOM 0 HD11 ILE A 13 -0.683 -15.826 -3.968 1.00 33.31 H new ATOM 0 HD12 ILE A 13 -1.546 -14.339 -3.509 1.00 33.31 H new ATOM 0 HD13 ILE A 13 -1.806 -15.838 -2.588 1.00 33.31 H new ATOM 226 N SER A 14 -6.879 -13.877 -4.710 1.00 11.33 N ATOM 227 CA SER A 14 -8.172 -13.335 -4.251 1.00 3.42 C ATOM 228 C SER A 14 -9.352 -14.000 -4.967 1.00 12.13 C ATOM 229 O SER A 14 -10.281 -14.500 -4.324 1.00 62.32 O ATOM 230 CB SER A 14 -8.242 -11.814 -4.462 1.00 74.43 C ATOM 231 OG SER A 14 -9.481 -11.284 -4.006 1.00 72.41 O ATOM 0 H SER A 14 -6.237 -13.176 -5.080 1.00 11.33 H new ATOM 0 HA SER A 14 -8.243 -13.554 -3.186 1.00 3.42 H new ATOM 0 HB2 SER A 14 -7.421 -11.333 -3.930 1.00 74.43 H new ATOM 0 HB3 SER A 14 -8.114 -11.585 -5.520 1.00 74.43 H new ATOM 0 HG SER A 14 -9.496 -10.315 -4.152 1.00 72.41 H new ATOM 237 N ARG A 15 -9.311 -14.019 -6.301 1.00 60.13 N ATOM 238 CA ARG A 15 -10.387 -14.631 -7.086 1.00 11.54 C ATOM 239 C ARG A 15 -10.456 -16.149 -6.869 1.00 54.32 C ATOM 240 O ARG A 15 -11.535 -16.735 -6.902 1.00 45.20 O ATOM 241 CB ARG A 15 -10.232 -14.305 -8.576 1.00 32.54 C ATOM 242 CG ARG A 15 -10.314 -12.811 -8.874 1.00 31.04 C ATOM 243 CD ARG A 15 -10.414 -12.525 -10.367 1.00 32.53 C ATOM 244 NE ARG A 15 -10.412 -11.088 -10.643 1.00 23.42 N ATOM 245 CZ ARG A 15 -11.317 -10.466 -11.347 1.00 73.40 C ATOM 246 NH1 ARG A 15 -12.343 -11.099 -11.823 1.00 43.24 N ATOM 247 NH2 ARG A 15 -11.212 -9.193 -11.552 1.00 63.22 N ATOM 0 H ARG A 15 -8.553 -13.622 -6.856 1.00 60.13 H new ATOM 0 HA ARG A 15 -11.327 -14.204 -6.735 1.00 11.54 H new ATOM 0 HB2 ARG A 15 -9.274 -14.687 -8.928 1.00 32.54 H new ATOM 0 HB3 ARG A 15 -11.008 -14.825 -9.138 1.00 32.54 H new ATOM 0 HG2 ARG A 15 -11.181 -12.388 -8.366 1.00 31.04 H new ATOM 0 HG3 ARG A 15 -9.433 -12.313 -8.469 1.00 31.04 H new ATOM 0 HD2 ARG A 15 -9.579 -12.996 -10.885 1.00 32.53 H new ATOM 0 HD3 ARG A 15 -11.327 -12.971 -10.763 1.00 32.53 H new ATOM 0 HE ARG A 15 -9.648 -10.533 -10.257 1.00 23.42 H new ATOM 0 HH11 ARG A 15 -12.452 -12.098 -11.649 1.00 43.24 H new ATOM 0 HH12 ARG A 15 -13.042 -10.598 -12.372 1.00 43.24 H new ATOM 0 HH21 ARG A 15 -10.422 -8.677 -11.163 1.00 63.22 H new ATOM 0 HH22 ARG A 15 -11.919 -8.705 -12.102 1.00 63.22 H new ATOM 261 N TYR A 16 -9.310 -16.788 -6.637 1.00 32.53 N ATOM 262 CA TYR A 16 -9.292 -18.223 -6.340 1.00 44.21 C ATOM 263 C TYR A 16 -10.053 -18.522 -5.037 1.00 42.03 C ATOM 264 O TYR A 16 -10.979 -19.334 -5.020 1.00 53.42 O ATOM 265 CB TYR A 16 -7.853 -18.746 -6.245 1.00 41.25 C ATOM 266 CG TYR A 16 -7.761 -20.259 -6.120 1.00 12.24 C ATOM 267 CD1 TYR A 16 -7.899 -21.075 -7.238 1.00 4.13 C ATOM 268 CD2 TYR A 16 -7.544 -20.871 -4.889 1.00 75.54 C ATOM 269 CE1 TYR A 16 -7.817 -22.449 -7.133 1.00 61.22 C ATOM 270 CE2 TYR A 16 -7.459 -22.246 -4.779 1.00 2.54 C ATOM 271 CZ TYR A 16 -7.598 -23.029 -5.903 1.00 52.33 C ATOM 272 OH TYR A 16 -7.508 -24.401 -5.799 1.00 65.32 O ATOM 0 H TYR A 16 -8.392 -16.343 -6.648 1.00 32.53 H new ATOM 0 HA TYR A 16 -9.792 -18.738 -7.160 1.00 44.21 H new ATOM 0 HB2 TYR A 16 -7.301 -18.429 -7.130 1.00 41.25 H new ATOM 0 HB3 TYR A 16 -7.365 -18.289 -5.384 1.00 41.25 H new ATOM 0 HD1 TYR A 16 -8.073 -20.626 -8.205 1.00 4.13 H new ATOM 0 HD2 TYR A 16 -7.440 -20.261 -4.004 1.00 75.54 H new ATOM 0 HE1 TYR A 16 -7.924 -23.067 -8.012 1.00 61.22 H new ATOM 0 HE2 TYR A 16 -7.284 -22.704 -3.817 1.00 2.54 H new ATOM 0 HH TYR A 16 -7.034 -24.758 -6.579 1.00 65.32 H new ATOM 282 N LEU A 17 -9.671 -17.856 -3.950 1.00 62.31 N ATOM 283 CA LEU A 17 -10.358 -18.021 -2.662 1.00 42.33 C ATOM 284 C LEU A 17 -11.865 -17.734 -2.790 1.00 12.41 C ATOM 285 O LEU A 17 -12.693 -18.492 -2.289 1.00 72.15 O ATOM 286 CB LEU A 17 -9.727 -17.115 -1.589 1.00 53.24 C ATOM 287 CG LEU A 17 -8.486 -17.691 -0.875 1.00 23.03 C ATOM 288 CD1 LEU A 17 -7.381 -18.049 -1.866 1.00 4.03 C ATOM 289 CD2 LEU A 17 -7.970 -16.709 0.176 1.00 74.11 C ATOM 0 H LEU A 17 -8.892 -17.198 -3.930 1.00 62.31 H new ATOM 0 HA LEU A 17 -10.239 -19.060 -2.354 1.00 42.33 H new ATOM 0 HB2 LEU A 17 -9.450 -16.169 -2.055 1.00 53.24 H new ATOM 0 HB3 LEU A 17 -10.484 -16.890 -0.838 1.00 53.24 H new ATOM 0 HG LEU A 17 -8.789 -18.611 -0.376 1.00 23.03 H new ATOM 0 HD11 LEU A 17 -6.524 -18.451 -1.326 1.00 4.03 H new ATOM 0 HD12 LEU A 17 -7.750 -18.796 -2.568 1.00 4.03 H new ATOM 0 HD13 LEU A 17 -7.079 -17.156 -2.412 1.00 4.03 H new ATOM 0 HD21 LEU A 17 -7.095 -17.131 0.670 1.00 74.11 H new ATOM 0 HD22 LEU A 17 -7.697 -15.770 -0.306 1.00 74.11 H new ATOM 0 HD23 LEU A 17 -8.750 -16.524 0.915 1.00 74.11 H new ATOM 301 N ARG A 18 -12.212 -16.649 -3.481 1.00 54.33 N ATOM 302 CA ARG A 18 -13.620 -16.285 -3.702 1.00 41.31 C ATOM 303 C ARG A 18 -14.384 -17.350 -4.519 1.00 1.31 C ATOM 304 O ARG A 18 -15.323 -17.970 -4.017 1.00 63.43 O ATOM 305 CB ARG A 18 -13.713 -14.922 -4.408 1.00 15.42 C ATOM 306 CG ARG A 18 -13.635 -13.714 -3.472 1.00 52.14 C ATOM 307 CD ARG A 18 -14.832 -13.655 -2.524 1.00 64.22 C ATOM 308 NE ARG A 18 -14.971 -12.346 -1.884 1.00 21.44 N ATOM 309 CZ ARG A 18 -16.081 -11.908 -1.339 1.00 63.15 C ATOM 310 NH1 ARG A 18 -17.145 -12.646 -1.311 1.00 12.20 N ATOM 311 NH2 ARG A 18 -16.129 -10.723 -0.826 1.00 71.31 N ATOM 0 H ARG A 18 -11.542 -16.004 -3.899 1.00 54.33 H new ATOM 0 HA ARG A 18 -14.091 -16.226 -2.721 1.00 41.31 H new ATOM 0 HB2 ARG A 18 -12.908 -14.851 -5.140 1.00 15.42 H new ATOM 0 HB3 ARG A 18 -14.651 -14.877 -4.961 1.00 15.42 H new ATOM 0 HG2 ARG A 18 -12.713 -13.762 -2.892 1.00 52.14 H new ATOM 0 HG3 ARG A 18 -13.593 -12.799 -4.062 1.00 52.14 H new ATOM 0 HD2 ARG A 18 -15.742 -13.885 -3.078 1.00 64.22 H new ATOM 0 HD3 ARG A 18 -14.723 -14.422 -1.757 1.00 64.22 H new ATOM 0 HE ARG A 18 -14.154 -11.736 -1.860 1.00 21.44 H new ATOM 0 HH11 ARG A 18 -17.127 -13.582 -1.716 1.00 12.20 H new ATOM 0 HH12 ARG A 18 -18.001 -12.291 -0.884 1.00 12.20 H new ATOM 0 HH21 ARG A 18 -15.302 -10.126 -0.844 1.00 71.31 H new ATOM 0 HH22 ARG A 18 -16.993 -10.385 -0.403 1.00 71.31 H new ATOM 325 N GLU A 19 -13.970 -17.566 -5.771 1.00 44.31 N ATOM 326 CA GLU A 19 -14.697 -18.461 -6.690 1.00 73.15 C ATOM 327 C GLU A 19 -14.826 -19.895 -6.143 1.00 23.40 C ATOM 328 O GLU A 19 -15.828 -20.568 -6.383 1.00 32.42 O ATOM 329 CB GLU A 19 -14.019 -18.495 -8.069 1.00 71.52 C ATOM 330 CG GLU A 19 -13.918 -17.134 -8.761 1.00 62.14 C ATOM 331 CD GLU A 19 -15.261 -16.427 -8.898 1.00 11.05 C ATOM 332 OE1 GLU A 19 -16.201 -17.023 -9.464 1.00 74.20 O ATOM 333 OE2 GLU A 19 -15.381 -15.266 -8.443 1.00 72.42 O ATOM 0 H GLU A 19 -13.138 -17.137 -6.175 1.00 44.31 H new ATOM 0 HA GLU A 19 -15.703 -18.052 -6.786 1.00 73.15 H new ATOM 0 HB2 GLU A 19 -13.016 -18.906 -7.956 1.00 71.52 H new ATOM 0 HB3 GLU A 19 -14.572 -19.177 -8.715 1.00 71.52 H new ATOM 0 HG2 GLU A 19 -13.236 -16.497 -8.198 1.00 62.14 H new ATOM 0 HG3 GLU A 19 -13.483 -17.269 -9.751 1.00 62.14 H new ATOM 340 N GLN A 20 -13.812 -20.374 -5.425 1.00 42.42 N ATOM 341 CA GLN A 20 -13.865 -21.723 -4.839 1.00 41.12 C ATOM 342 C GLN A 20 -14.682 -21.751 -3.534 1.00 31.22 C ATOM 343 O GLN A 20 -15.263 -22.778 -3.187 1.00 71.21 O ATOM 344 CB GLN A 20 -12.448 -22.289 -4.619 1.00 55.22 C ATOM 345 CG GLN A 20 -11.923 -23.113 -5.801 1.00 22.11 C ATOM 346 CD GLN A 20 -11.785 -22.319 -7.094 1.00 71.35 C ATOM 347 OE1 GLN A 20 -11.990 -22.835 -8.184 1.00 61.31 O ATOM 348 NE2 GLN A 20 -11.401 -21.067 -6.988 1.00 71.15 N ATOM 0 H GLN A 20 -12.952 -19.860 -5.233 1.00 42.42 H new ATOM 0 HA GLN A 20 -14.378 -22.365 -5.555 1.00 41.12 H new ATOM 0 HB2 GLN A 20 -11.762 -21.463 -4.430 1.00 55.22 H new ATOM 0 HB3 GLN A 20 -12.450 -22.913 -3.725 1.00 55.22 H new ATOM 0 HG2 GLN A 20 -10.951 -23.531 -5.537 1.00 22.11 H new ATOM 0 HG3 GLN A 20 -12.595 -23.954 -5.972 1.00 22.11 H new ATOM 0 HE21 GLN A 20 -11.237 -20.660 -6.067 1.00 71.15 H new ATOM 0 HE22 GLN A 20 -11.267 -20.502 -7.827 1.00 71.15 H new ATOM 357 N ALA A 21 -14.735 -20.623 -2.821 1.00 24.31 N ATOM 358 CA ALA A 21 -15.584 -20.508 -1.626 1.00 61.44 C ATOM 359 C ALA A 21 -17.069 -20.454 -2.013 1.00 24.54 C ATOM 360 O ALA A 21 -17.933 -20.960 -1.296 1.00 52.51 O ATOM 361 CB ALA A 21 -15.202 -19.275 -0.811 1.00 43.33 C ATOM 0 H ALA A 21 -14.205 -19.781 -3.046 1.00 24.31 H new ATOM 0 HA ALA A 21 -15.423 -21.393 -1.011 1.00 61.44 H new ATOM 0 HB1 ALA A 21 -15.842 -19.208 0.069 1.00 43.33 H new ATOM 0 HB2 ALA A 21 -14.161 -19.354 -0.498 1.00 43.33 H new ATOM 0 HB3 ALA A 21 -15.330 -18.381 -1.422 1.00 43.33 H new ATOM 367 N THR A 22 -17.352 -19.840 -3.162 1.00 2.15 N ATOM 368 CA THR A 22 -18.721 -19.751 -3.692 1.00 43.43 C ATOM 369 C THR A 22 -19.073 -20.978 -4.544 1.00 21.43 C ATOM 370 O THR A 22 -20.234 -21.388 -4.616 1.00 61.24 O ATOM 371 CB THR A 22 -18.909 -18.485 -4.566 1.00 50.30 C ATOM 372 OG1 THR A 22 -18.059 -18.554 -5.723 1.00 43.15 O ATOM 373 CG2 THR A 22 -18.593 -17.219 -3.774 1.00 23.44 C ATOM 0 H THR A 22 -16.649 -19.393 -3.750 1.00 2.15 H new ATOM 0 HA THR A 22 -19.382 -19.702 -2.827 1.00 43.43 H new ATOM 0 HB THR A 22 -19.952 -18.445 -4.881 1.00 50.30 H new ATOM 0 HG1 THR A 22 -18.185 -17.751 -6.270 1.00 43.15 H new ATOM 0 HG21 THR A 22 -18.733 -16.346 -4.412 1.00 23.44 H new ATOM 0 HG22 THR A 22 -19.260 -17.151 -2.915 1.00 23.44 H new ATOM 0 HG23 THR A 22 -17.560 -17.254 -3.429 1.00 23.44 H new ATOM 381 N GLY A 23 -18.064 -21.560 -5.188 1.00 0.32 N ATOM 382 CA GLY A 23 -18.284 -22.709 -6.063 1.00 12.54 C ATOM 383 C GLY A 23 -18.569 -22.302 -7.508 1.00 61.14 C ATOM 384 O GLY A 23 -19.113 -23.085 -8.290 1.00 43.01 O ATOM 0 H GLY A 23 -17.092 -21.257 -5.121 1.00 0.32 H new ATOM 0 HA2 GLY A 23 -17.405 -23.354 -6.038 1.00 12.54 H new ATOM 0 HA3 GLY A 23 -19.121 -23.295 -5.683 1.00 12.54 H new ATOM 541 N GLY A 34 -2.821 -10.565 -18.099 1.00 31.55 N ATOM 542 CA GLY A 34 -4.081 -11.296 -18.212 1.00 74.11 C ATOM 543 C GLY A 34 -3.912 -12.792 -18.455 1.00 4.22 C ATOM 544 O GLY A 34 -4.376 -13.612 -17.657 1.00 74.14 O ATOM 0 HA2 GLY A 34 -4.657 -11.150 -17.298 1.00 74.11 H new ATOM 0 HA3 GLY A 34 -4.664 -10.870 -19.028 1.00 74.11 H new ATOM 548 N ALA A 35 -3.237 -13.150 -19.548 1.00 63.42 N ATOM 549 CA ALA A 35 -3.054 -14.556 -19.912 1.00 22.33 C ATOM 550 C ALA A 35 -2.337 -15.345 -18.806 1.00 31.55 C ATOM 551 O ALA A 35 -2.835 -16.372 -18.353 1.00 54.13 O ATOM 552 CB ALA A 35 -2.284 -14.661 -21.224 1.00 50.42 C ATOM 0 H ALA A 35 -2.809 -12.488 -20.195 1.00 63.42 H new ATOM 0 HA ALA A 35 -4.043 -14.997 -20.038 1.00 22.33 H new ATOM 0 HB1 ALA A 35 -2.153 -15.711 -21.486 1.00 50.42 H new ATOM 0 HB2 ALA A 35 -2.841 -14.157 -22.014 1.00 50.42 H new ATOM 0 HB3 ALA A 35 -1.307 -14.191 -21.111 1.00 50.42 H new ATOM 558 N THR A 36 -1.195 -14.837 -18.340 1.00 21.40 N ATOM 559 CA THR A 36 -0.425 -15.512 -17.280 1.00 30.13 C ATOM 560 C THR A 36 -1.266 -15.710 -16.008 1.00 4.04 C ATOM 561 O THR A 36 -1.188 -16.753 -15.355 1.00 11.14 O ATOM 562 CB THR A 36 0.870 -14.733 -16.923 1.00 1.50 C ATOM 563 OG1 THR A 36 1.775 -14.738 -18.042 1.00 4.40 O ATOM 564 CG2 THR A 36 1.573 -15.334 -15.706 1.00 62.41 C ATOM 0 H THR A 36 -0.780 -13.967 -18.673 1.00 21.40 H new ATOM 0 HA THR A 36 -0.148 -16.489 -17.677 1.00 30.13 H new ATOM 0 HB THR A 36 0.580 -13.710 -16.682 1.00 1.50 H new ATOM 0 HG1 THR A 36 2.605 -15.194 -17.789 1.00 4.40 H new ATOM 0 HG21 THR A 36 2.475 -14.762 -15.487 1.00 62.41 H new ATOM 0 HG22 THR A 36 0.904 -15.300 -14.846 1.00 62.41 H new ATOM 0 HG23 THR A 36 1.842 -16.369 -15.916 1.00 62.41 H new ATOM 572 N SER A 37 -2.083 -14.714 -15.677 1.00 52.11 N ATOM 573 CA SER A 37 -2.922 -14.766 -14.473 1.00 42.01 C ATOM 574 C SER A 37 -3.974 -15.885 -14.572 1.00 4.12 C ATOM 575 O SER A 37 -4.088 -16.725 -13.676 1.00 14.22 O ATOM 576 CB SER A 37 -3.612 -13.414 -14.247 1.00 0.32 C ATOM 577 OG SER A 37 -4.301 -13.383 -13.008 1.00 5.45 O ATOM 0 H SER A 37 -2.185 -13.859 -16.223 1.00 52.11 H new ATOM 0 HA SER A 37 -2.275 -14.984 -13.624 1.00 42.01 H new ATOM 0 HB2 SER A 37 -2.869 -12.617 -14.272 1.00 0.32 H new ATOM 0 HB3 SER A 37 -4.313 -13.222 -15.059 1.00 0.32 H new ATOM 0 HG SER A 37 -4.728 -12.509 -12.893 1.00 5.45 H new ATOM 583 N ARG A 38 -4.723 -15.905 -15.678 1.00 72.31 N ATOM 584 CA ARG A 38 -5.734 -16.947 -15.913 1.00 64.43 C ATOM 585 C ARG A 38 -5.109 -18.354 -15.909 1.00 44.31 C ATOM 586 O ARG A 38 -5.639 -19.272 -15.278 1.00 21.30 O ATOM 587 CB ARG A 38 -6.465 -16.698 -17.244 1.00 32.35 C ATOM 588 CG ARG A 38 -7.406 -17.831 -17.667 1.00 45.54 C ATOM 589 CD ARG A 38 -8.566 -18.039 -16.689 1.00 54.53 C ATOM 590 NE ARG A 38 -9.350 -19.228 -17.033 1.00 32.24 N ATOM 591 CZ ARG A 38 -10.580 -19.451 -16.643 1.00 72.43 C ATOM 592 NH1 ARG A 38 -11.207 -18.601 -15.896 1.00 3.33 N ATOM 593 NH2 ARG A 38 -11.183 -20.539 -17.008 1.00 63.44 N ATOM 0 H ARG A 38 -4.651 -15.214 -16.425 1.00 72.31 H new ATOM 0 HA ARG A 38 -6.453 -16.896 -15.096 1.00 64.43 H new ATOM 0 HB2 ARG A 38 -7.040 -15.775 -17.163 1.00 32.35 H new ATOM 0 HB3 ARG A 38 -5.724 -16.544 -18.029 1.00 32.35 H new ATOM 0 HG2 ARG A 38 -7.807 -17.613 -18.657 1.00 45.54 H new ATOM 0 HG3 ARG A 38 -6.837 -18.757 -17.750 1.00 45.54 H new ATOM 0 HD2 ARG A 38 -8.176 -18.139 -15.676 1.00 54.53 H new ATOM 0 HD3 ARG A 38 -9.212 -17.161 -16.697 1.00 54.53 H new ATOM 0 HE ARG A 38 -8.905 -19.934 -17.619 1.00 32.24 H new ATOM 0 HH11 ARG A 38 -10.743 -17.741 -15.602 1.00 3.33 H new ATOM 0 HH12 ARG A 38 -12.165 -18.790 -15.601 1.00 3.33 H new ATOM 0 HH21 ARG A 38 -10.699 -21.217 -17.597 1.00 63.44 H new ATOM 0 HH22 ARG A 38 -12.141 -20.717 -16.707 1.00 63.44 H new ATOM 607 N LYS A 39 -3.982 -18.517 -16.608 1.00 70.01 N ATOM 608 CA LYS A 39 -3.287 -19.814 -16.668 1.00 51.14 C ATOM 609 C LYS A 39 -2.950 -20.322 -15.260 1.00 13.41 C ATOM 610 O LYS A 39 -3.213 -21.477 -14.924 1.00 34.02 O ATOM 611 CB LYS A 39 -1.998 -19.700 -17.498 1.00 32.35 C ATOM 612 CG LYS A 39 -2.214 -19.142 -18.901 1.00 51.13 C ATOM 613 CD LYS A 39 -0.895 -18.753 -19.578 1.00 24.11 C ATOM 614 CE LYS A 39 -0.302 -19.895 -20.391 1.00 74.12 C ATOM 615 NZ LYS A 39 -1.096 -20.161 -21.620 1.00 73.30 N ATOM 0 H LYS A 39 -3.530 -17.773 -17.139 1.00 70.01 H new ATOM 0 HA LYS A 39 -3.958 -20.528 -17.147 1.00 51.14 H new ATOM 0 HB2 LYS A 39 -1.292 -19.061 -16.968 1.00 32.35 H new ATOM 0 HB3 LYS A 39 -1.539 -20.686 -17.576 1.00 32.35 H new ATOM 0 HG2 LYS A 39 -2.728 -19.885 -19.511 1.00 51.13 H new ATOM 0 HG3 LYS A 39 -2.864 -18.269 -18.847 1.00 51.13 H new ATOM 0 HD2 LYS A 39 -1.063 -17.896 -20.230 1.00 24.11 H new ATOM 0 HD3 LYS A 39 -0.178 -18.441 -18.819 1.00 24.11 H new ATOM 0 HE2 LYS A 39 0.725 -19.652 -20.666 1.00 74.12 H new ATOM 0 HE3 LYS A 39 -0.264 -20.796 -19.779 1.00 74.12 H new ATOM 0 HZ1 LYS A 39 -0.529 -20.726 -22.284 1.00 73.30 H new ATOM 0 HZ2 LYS A 39 -1.959 -20.684 -21.369 1.00 73.30 H new ATOM 0 HZ3 LYS A 39 -1.356 -19.259 -22.067 1.00 73.30 H new ATOM 629 N ALA A 40 -2.370 -19.448 -14.439 1.00 45.53 N ATOM 630 CA ALA A 40 -2.040 -19.789 -13.052 1.00 31.42 C ATOM 631 C ALA A 40 -3.301 -20.131 -12.242 1.00 50.55 C ATOM 632 O ALA A 40 -3.322 -21.109 -11.495 1.00 53.13 O ATOM 633 CB ALA A 40 -1.273 -18.645 -12.394 1.00 63.52 C ATOM 0 H ALA A 40 -2.118 -18.497 -14.709 1.00 45.53 H new ATOM 0 HA ALA A 40 -1.406 -20.676 -13.066 1.00 31.42 H new ATOM 0 HB1 ALA A 40 -1.034 -18.912 -11.364 1.00 63.52 H new ATOM 0 HB2 ALA A 40 -0.350 -18.462 -12.944 1.00 63.52 H new ATOM 0 HB3 ALA A 40 -1.886 -17.744 -12.403 1.00 63.52 H new ATOM 639 N LEU A 41 -4.353 -19.331 -12.415 1.00 60.25 N ATOM 640 CA LEU A 41 -5.619 -19.531 -11.696 1.00 5.03 C ATOM 641 C LEU A 41 -6.238 -20.911 -11.983 1.00 75.41 C ATOM 642 O LEU A 41 -6.559 -21.667 -11.061 1.00 11.03 O ATOM 643 CB LEU A 41 -6.622 -18.431 -12.074 1.00 42.34 C ATOM 644 CG LEU A 41 -7.981 -18.504 -11.356 1.00 22.12 C ATOM 645 CD1 LEU A 41 -7.818 -18.281 -9.854 1.00 43.23 C ATOM 646 CD2 LEU A 41 -8.956 -17.495 -11.952 1.00 1.34 C ATOM 0 H LEU A 41 -4.357 -18.533 -13.050 1.00 60.25 H new ATOM 0 HA LEU A 41 -5.395 -19.480 -10.630 1.00 5.03 H new ATOM 0 HB2 LEU A 41 -6.170 -17.462 -11.863 1.00 42.34 H new ATOM 0 HB3 LEU A 41 -6.795 -18.474 -13.149 1.00 42.34 H new ATOM 0 HG LEU A 41 -8.390 -19.503 -11.503 1.00 22.12 H new ATOM 0 HD11 LEU A 41 -8.793 -18.338 -9.370 1.00 43.23 H new ATOM 0 HD12 LEU A 41 -7.163 -19.048 -9.441 1.00 43.23 H new ATOM 0 HD13 LEU A 41 -7.382 -17.298 -9.677 1.00 43.23 H new ATOM 0 HD21 LEU A 41 -9.911 -17.561 -11.432 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -8.551 -16.489 -11.841 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -9.103 -17.712 -13.010 1.00 1.34 H new ATOM 658 N GLU A 42 -6.413 -21.237 -13.263 1.00 12.44 N ATOM 659 CA GLU A 42 -7.026 -22.511 -13.651 1.00 23.01 C ATOM 660 C GLU A 42 -6.122 -23.706 -13.301 1.00 4.34 C ATOM 661 O GLU A 42 -6.613 -24.797 -12.996 1.00 20.03 O ATOM 662 CB GLU A 42 -7.382 -22.513 -15.144 1.00 3.02 C ATOM 663 CG GLU A 42 -6.190 -22.344 -16.080 1.00 4.13 C ATOM 664 CD GLU A 42 -6.597 -22.399 -17.543 1.00 33.03 C ATOM 665 OE1 GLU A 42 -6.659 -23.515 -18.100 1.00 31.34 O ATOM 666 OE2 GLU A 42 -6.881 -21.333 -18.131 1.00 4.22 O ATOM 0 H GLU A 42 -6.142 -20.642 -14.046 1.00 12.44 H new ATOM 0 HA GLU A 42 -7.947 -22.619 -13.079 1.00 23.01 H new ATOM 0 HB2 GLU A 42 -7.885 -23.450 -15.383 1.00 3.02 H new ATOM 0 HB3 GLU A 42 -8.094 -21.711 -15.335 1.00 3.02 H new ATOM 0 HG2 GLU A 42 -5.702 -21.391 -15.876 1.00 4.13 H new ATOM 0 HG3 GLU A 42 -5.458 -23.126 -15.879 1.00 4.13 H new ATOM 673 N THR A 43 -4.803 -23.503 -13.340 1.00 3.30 N ATOM 674 CA THR A 43 -3.858 -24.532 -12.883 1.00 13.14 C ATOM 675 C THR A 43 -4.025 -24.776 -11.375 1.00 1.53 C ATOM 676 O THR A 43 -4.043 -25.923 -10.918 1.00 2.35 O ATOM 677 CB THR A 43 -2.384 -24.156 -13.189 1.00 10.13 C ATOM 678 OG1 THR A 43 -2.195 -24.017 -14.606 1.00 22.41 O ATOM 679 CG2 THR A 43 -1.416 -25.213 -12.657 1.00 71.02 C ATOM 0 H THR A 43 -4.366 -22.646 -13.679 1.00 3.30 H new ATOM 0 HA THR A 43 -4.089 -25.444 -13.434 1.00 13.14 H new ATOM 0 HB THR A 43 -2.175 -23.210 -12.690 1.00 10.13 H new ATOM 0 HG1 THR A 43 -2.518 -23.138 -14.894 1.00 22.41 H new ATOM 0 HG21 THR A 43 -0.392 -24.918 -12.888 1.00 71.02 H new ATOM 0 HG22 THR A 43 -1.533 -25.302 -11.577 1.00 71.02 H new ATOM 0 HG23 THR A 43 -1.632 -26.173 -13.126 1.00 71.02 H new ATOM 687 N LEU A 44 -4.170 -23.687 -10.608 1.00 51.41 N ATOM 688 CA LEU A 44 -4.480 -23.773 -9.172 1.00 4.41 C ATOM 689 C LEU A 44 -5.736 -24.623 -8.925 1.00 65.52 C ATOM 690 O LEU A 44 -5.802 -25.384 -7.963 1.00 42.11 O ATOM 691 CB LEU A 44 -4.684 -22.366 -8.581 1.00 64.41 C ATOM 692 CG LEU A 44 -3.407 -21.543 -8.349 1.00 51.44 C ATOM 693 CD1 LEU A 44 -3.756 -20.101 -7.989 1.00 71.11 C ATOM 694 CD2 LEU A 44 -2.554 -22.175 -7.250 1.00 11.32 C ATOM 0 H LEU A 44 -4.078 -22.733 -10.958 1.00 51.41 H new ATOM 0 HA LEU A 44 -3.634 -24.252 -8.679 1.00 4.41 H new ATOM 0 HB2 LEU A 44 -5.339 -21.805 -9.248 1.00 64.41 H new ATOM 0 HB3 LEU A 44 -5.207 -22.465 -7.630 1.00 64.41 H new ATOM 0 HG LEU A 44 -2.830 -21.538 -9.274 1.00 51.44 H new ATOM 0 HD11 LEU A 44 -2.839 -19.534 -7.828 1.00 71.11 H new ATOM 0 HD12 LEU A 44 -4.324 -19.650 -8.803 1.00 71.11 H new ATOM 0 HD13 LEU A 44 -4.355 -20.088 -7.078 1.00 71.11 H new ATOM 0 HD21 LEU A 44 -1.654 -21.579 -7.100 1.00 11.32 H new ATOM 0 HD22 LEU A 44 -3.125 -22.211 -6.322 1.00 11.32 H new ATOM 0 HD23 LEU A 44 -2.274 -23.187 -7.543 1.00 11.32 H new ATOM 706 N ARG A 45 -6.733 -24.479 -9.794 1.00 10.45 N ATOM 707 CA ARG A 45 -7.955 -25.291 -9.712 1.00 12.11 C ATOM 708 C ARG A 45 -7.677 -26.766 -10.035 1.00 44.04 C ATOM 709 O ARG A 45 -8.134 -27.663 -9.326 1.00 35.44 O ATOM 710 CB ARG A 45 -9.028 -24.749 -10.667 1.00 72.24 C ATOM 711 CG ARG A 45 -9.603 -23.405 -10.242 1.00 21.01 C ATOM 712 CD ARG A 45 -10.684 -22.919 -11.203 1.00 31.14 C ATOM 713 NE ARG A 45 -11.377 -21.738 -10.691 1.00 72.32 N ATOM 714 CZ ARG A 45 -11.509 -20.613 -11.347 1.00 2.11 C ATOM 715 NH1 ARG A 45 -11.050 -20.486 -12.552 1.00 44.10 N ATOM 716 NH2 ARG A 45 -12.126 -19.615 -10.804 1.00 13.15 N ATOM 0 H ARG A 45 -6.724 -23.810 -10.564 1.00 10.45 H new ATOM 0 HA ARG A 45 -8.317 -25.227 -8.686 1.00 12.11 H new ATOM 0 HB2 ARG A 45 -8.599 -24.652 -11.664 1.00 72.24 H new ATOM 0 HB3 ARG A 45 -9.838 -25.475 -10.738 1.00 72.24 H new ATOM 0 HG2 ARG A 45 -10.021 -23.490 -9.239 1.00 21.01 H new ATOM 0 HG3 ARG A 45 -8.802 -22.667 -10.193 1.00 21.01 H new ATOM 0 HD2 ARG A 45 -10.234 -22.686 -12.168 1.00 31.14 H new ATOM 0 HD3 ARG A 45 -11.405 -23.718 -11.372 1.00 31.14 H new ATOM 0 HE ARG A 45 -11.786 -21.795 -9.758 1.00 72.32 H new ATOM 0 HH11 ARG A 45 -10.578 -21.269 -13.003 1.00 44.10 H new ATOM 0 HH12 ARG A 45 -11.161 -19.603 -13.050 1.00 44.10 H new ATOM 0 HH21 ARG A 45 -12.511 -19.704 -9.863 1.00 13.15 H new ATOM 0 HH22 ARG A 45 -12.228 -18.739 -11.316 1.00 13.15 H new ATOM 730 N ARG A 46 -6.923 -27.005 -11.105 1.00 21.15 N ATOM 731 CA ARG A 46 -6.637 -28.368 -11.570 1.00 10.33 C ATOM 732 C ARG A 46 -5.886 -29.202 -10.515 1.00 64.11 C ATOM 733 O ARG A 46 -6.233 -30.358 -10.263 1.00 44.13 O ATOM 734 CB ARG A 46 -5.825 -28.314 -12.870 1.00 4.35 C ATOM 735 CG ARG A 46 -5.551 -29.683 -13.486 1.00 71.11 C ATOM 736 CD ARG A 46 -4.807 -29.564 -14.811 1.00 2.03 C ATOM 737 NE ARG A 46 -5.520 -28.713 -15.763 1.00 24.43 N ATOM 738 CZ ARG A 46 -6.153 -29.153 -16.816 1.00 15.12 C ATOM 739 NH1 ARG A 46 -6.226 -30.422 -17.064 1.00 42.42 N ATOM 740 NH2 ARG A 46 -6.730 -28.315 -17.610 1.00 3.40 N ATOM 0 H ARG A 46 -6.496 -26.272 -11.671 1.00 21.15 H new ATOM 0 HA ARG A 46 -7.594 -28.859 -11.749 1.00 10.33 H new ATOM 0 HB2 ARG A 46 -6.360 -27.701 -13.595 1.00 4.35 H new ATOM 0 HB3 ARG A 46 -4.874 -27.819 -12.673 1.00 4.35 H new ATOM 0 HG2 ARG A 46 -4.964 -30.284 -12.791 1.00 71.11 H new ATOM 0 HG3 ARG A 46 -6.494 -30.207 -13.643 1.00 71.11 H new ATOM 0 HD2 ARG A 46 -3.812 -29.155 -14.633 1.00 2.03 H new ATOM 0 HD3 ARG A 46 -4.672 -30.556 -15.242 1.00 2.03 H new ATOM 0 HE ARG A 46 -5.523 -27.707 -15.592 1.00 24.43 H new ATOM 0 HH11 ARG A 46 -5.786 -31.091 -16.433 1.00 42.42 H new ATOM 0 HH12 ARG A 46 -6.724 -30.752 -17.891 1.00 42.42 H new ATOM 0 HH21 ARG A 46 -6.690 -27.315 -17.413 1.00 3.40 H new ATOM 0 HH22 ARG A 46 -7.226 -28.653 -18.435 1.00 3.40 H new ATOM 754 N VAL A 47 -4.863 -28.615 -9.896 1.00 63.43 N ATOM 755 CA VAL A 47 -4.101 -29.312 -8.850 1.00 64.33 C ATOM 756 C VAL A 47 -4.742 -29.115 -7.466 1.00 72.33 C ATOM 757 O VAL A 47 -4.732 -30.016 -6.627 1.00 0.45 O ATOM 758 CB VAL A 47 -2.621 -28.842 -8.813 1.00 35.51 C ATOM 759 CG1 VAL A 47 -1.942 -29.099 -10.159 1.00 53.25 C ATOM 760 CG2 VAL A 47 -2.518 -27.365 -8.428 1.00 2.43 C ATOM 0 H VAL A 47 -4.541 -27.668 -10.095 1.00 63.43 H new ATOM 0 HA VAL A 47 -4.122 -30.373 -9.099 1.00 64.33 H new ATOM 0 HB VAL A 47 -2.104 -29.422 -8.049 1.00 35.51 H new ATOM 0 HG11 VAL A 47 -0.906 -28.763 -10.114 1.00 53.25 H new ATOM 0 HG12 VAL A 47 -1.968 -30.166 -10.382 1.00 53.25 H new ATOM 0 HG13 VAL A 47 -2.467 -28.552 -10.942 1.00 53.25 H new ATOM 0 HG21 VAL A 47 -1.470 -27.066 -8.411 1.00 2.43 H new ATOM 0 HG22 VAL A 47 -3.056 -26.760 -9.158 1.00 2.43 H new ATOM 0 HG23 VAL A 47 -2.954 -27.215 -7.441 1.00 2.43 H new ATOM 770 N GLY A 48 -5.333 -27.941 -7.252 1.00 43.40 N ATOM 771 CA GLY A 48 -5.946 -27.624 -5.966 1.00 25.42 C ATOM 772 C GLY A 48 -7.209 -28.428 -5.676 1.00 24.43 C ATOM 773 O GLY A 48 -7.580 -28.601 -4.519 1.00 63.44 O ATOM 0 H GLY A 48 -5.400 -27.199 -7.948 1.00 43.40 H new ATOM 0 HA2 GLY A 48 -5.220 -27.805 -5.173 1.00 25.42 H new ATOM 0 HA3 GLY A 48 -6.188 -26.562 -5.941 1.00 25.42 H new ATOM 777 N ASP A 49 -7.871 -28.921 -6.723 1.00 60.32 N ATOM 778 CA ASP A 49 -9.085 -29.732 -6.564 1.00 43.23 C ATOM 779 C ASP A 49 -8.847 -30.892 -5.573 1.00 43.15 C ATOM 780 O ASP A 49 -9.590 -31.064 -4.602 1.00 2.12 O ATOM 781 CB ASP A 49 -9.524 -30.276 -7.930 1.00 14.23 C ATOM 782 CG ASP A 49 -10.931 -30.850 -7.909 1.00 13.11 C ATOM 783 OD1 ASP A 49 -11.113 -31.980 -7.411 1.00 25.12 O ATOM 784 OD2 ASP A 49 -11.861 -30.174 -8.399 1.00 44.43 O ATOM 0 H ASP A 49 -7.589 -28.774 -7.692 1.00 60.32 H new ATOM 0 HA ASP A 49 -9.876 -29.102 -6.158 1.00 43.23 H new ATOM 0 HB2 ASP A 49 -9.474 -29.476 -8.668 1.00 14.23 H new ATOM 0 HB3 ASP A 49 -8.825 -31.049 -8.250 1.00 14.23 H new ATOM 789 N GLY A 50 -7.806 -31.683 -5.836 1.00 62.04 N ATOM 790 CA GLY A 50 -7.410 -32.751 -4.923 1.00 2.10 C ATOM 791 C GLY A 50 -6.714 -32.233 -3.662 1.00 42.40 C ATOM 792 O GLY A 50 -7.021 -32.670 -2.552 1.00 10.42 O ATOM 0 H GLY A 50 -7.225 -31.603 -6.671 1.00 62.04 H new ATOM 0 HA2 GLY A 50 -8.293 -33.322 -4.635 1.00 2.10 H new ATOM 0 HA3 GLY A 50 -6.742 -33.438 -5.444 1.00 2.10 H new ATOM 796 N VAL A 51 -5.788 -31.283 -3.836 1.00 12.21 N ATOM 797 CA VAL A 51 -4.983 -30.755 -2.720 1.00 30.02 C ATOM 798 C VAL A 51 -5.853 -30.172 -1.588 1.00 44.42 C ATOM 799 O VAL A 51 -5.621 -30.457 -0.411 1.00 73.33 O ATOM 800 CB VAL A 51 -3.977 -29.680 -3.214 1.00 4.45 C ATOM 801 CG1 VAL A 51 -3.263 -29.000 -2.044 1.00 73.14 C ATOM 802 CG2 VAL A 51 -2.959 -30.305 -4.168 1.00 12.44 C ATOM 0 H VAL A 51 -5.575 -30.861 -4.740 1.00 12.21 H new ATOM 0 HA VAL A 51 -4.432 -31.603 -2.314 1.00 30.02 H new ATOM 0 HB VAL A 51 -4.541 -28.916 -3.748 1.00 4.45 H new ATOM 0 HG11 VAL A 51 -2.567 -28.254 -2.427 1.00 73.14 H new ATOM 0 HG12 VAL A 51 -3.998 -28.515 -1.402 1.00 73.14 H new ATOM 0 HG13 VAL A 51 -2.715 -29.746 -1.469 1.00 73.14 H new ATOM 0 HG21 VAL A 51 -2.260 -29.540 -4.506 1.00 12.44 H new ATOM 0 HG22 VAL A 51 -2.412 -31.093 -3.651 1.00 12.44 H new ATOM 0 HG23 VAL A 51 -3.478 -30.728 -5.028 1.00 12.44 H new ATOM 812 N GLN A 52 -6.854 -29.367 -1.937 1.00 54.04 N ATOM 813 CA GLN A 52 -7.756 -28.793 -0.930 1.00 1.33 C ATOM 814 C GLN A 52 -8.433 -29.889 -0.101 1.00 73.34 C ATOM 815 O GLN A 52 -8.499 -29.797 1.119 1.00 63.21 O ATOM 816 CB GLN A 52 -8.830 -27.903 -1.578 1.00 32.01 C ATOM 817 CG GLN A 52 -8.291 -26.627 -2.217 1.00 53.30 C ATOM 818 CD GLN A 52 -9.399 -25.687 -2.667 1.00 12.11 C ATOM 819 OE1 GLN A 52 -10.475 -25.647 -2.081 1.00 23.15 O ATOM 820 NE2 GLN A 52 -9.151 -24.929 -3.713 1.00 32.24 N ATOM 0 H GLN A 52 -7.063 -29.097 -2.898 1.00 54.04 H new ATOM 0 HA GLN A 52 -7.143 -28.178 -0.271 1.00 1.33 H new ATOM 0 HB2 GLN A 52 -9.354 -28.482 -2.338 1.00 32.01 H new ATOM 0 HB3 GLN A 52 -9.566 -27.633 -0.820 1.00 32.01 H new ATOM 0 HG2 GLN A 52 -7.649 -26.111 -1.504 1.00 53.30 H new ATOM 0 HG3 GLN A 52 -7.670 -26.888 -3.074 1.00 53.30 H new ATOM 0 HE21 GLN A 52 -8.246 -24.985 -4.180 1.00 32.24 H new ATOM 0 HE22 GLN A 52 -9.864 -24.286 -4.057 1.00 32.24 H new ATOM 829 N ARG A 53 -8.906 -30.937 -0.771 1.00 22.15 N ATOM 830 CA ARG A 53 -9.636 -32.023 -0.106 1.00 3.31 C ATOM 831 C ARG A 53 -8.739 -32.842 0.840 1.00 34.43 C ATOM 832 O ARG A 53 -9.050 -32.996 2.023 1.00 2.11 O ATOM 833 CB ARG A 53 -10.274 -32.943 -1.154 1.00 13.21 C ATOM 834 CG ARG A 53 -11.331 -32.252 -2.009 1.00 13.15 C ATOM 835 CD ARG A 53 -11.959 -33.212 -3.015 1.00 31.04 C ATOM 836 NE ARG A 53 -12.551 -34.378 -2.362 1.00 22.01 N ATOM 837 CZ ARG A 53 -13.309 -35.254 -2.960 1.00 65.32 C ATOM 838 NH1 ARG A 53 -13.647 -35.103 -4.201 1.00 74.40 N ATOM 839 NH2 ARG A 53 -13.750 -36.273 -2.300 1.00 2.12 N ATOM 0 H ARG A 53 -8.798 -31.061 -1.778 1.00 22.15 H new ATOM 0 HA ARG A 53 -10.413 -31.564 0.505 1.00 3.31 H new ATOM 0 HB2 ARG A 53 -9.493 -33.336 -1.804 1.00 13.21 H new ATOM 0 HB3 ARG A 53 -10.728 -33.796 -0.649 1.00 13.21 H new ATOM 0 HG2 ARG A 53 -12.108 -31.840 -1.365 1.00 13.15 H new ATOM 0 HG3 ARG A 53 -10.879 -31.414 -2.539 1.00 13.15 H new ATOM 0 HD2 ARG A 53 -12.725 -32.688 -3.586 1.00 31.04 H new ATOM 0 HD3 ARG A 53 -11.200 -33.540 -3.725 1.00 31.04 H new ATOM 0 HE ARG A 53 -12.358 -34.516 -1.370 1.00 22.01 H new ATOM 0 HH11 ARG A 53 -13.320 -34.291 -4.724 1.00 74.40 H new ATOM 0 HH12 ARG A 53 -14.241 -35.797 -4.656 1.00 74.40 H new ATOM 0 HH21 ARG A 53 -13.505 -36.389 -1.317 1.00 2.12 H new ATOM 0 HH22 ARG A 53 -14.343 -36.962 -2.762 1.00 2.12 H new ATOM 853 N ASN A 54 -7.619 -33.356 0.329 1.00 53.05 N ATOM 854 CA ASN A 54 -6.740 -34.218 1.138 1.00 11.22 C ATOM 855 C ASN A 54 -6.002 -33.429 2.238 1.00 32.24 C ATOM 856 O ASN A 54 -5.511 -34.011 3.211 1.00 12.10 O ATOM 857 CB ASN A 54 -5.748 -34.985 0.248 1.00 21.15 C ATOM 858 CG ASN A 54 -4.875 -34.085 -0.608 1.00 13.42 C ATOM 859 OD1 ASN A 54 -4.523 -32.982 -0.221 1.00 74.41 O ATOM 860 ND2 ASN A 54 -4.526 -34.554 -1.788 1.00 14.04 N ATOM 0 H ASN A 54 -7.298 -33.197 -0.626 1.00 53.05 H new ATOM 0 HA ASN A 54 -7.379 -34.944 1.641 1.00 11.22 H new ATOM 0 HB2 ASN A 54 -5.109 -35.602 0.879 1.00 21.15 H new ATOM 0 HB3 ASN A 54 -6.304 -35.662 -0.401 1.00 21.15 H new ATOM 0 HD21 ASN A 54 -3.944 -33.991 -2.409 1.00 14.04 H new ATOM 0 HD22 ASN A 54 -4.837 -35.480 -2.081 1.00 14.04 H new ATOM 867 N HIS A 55 -5.906 -32.108 2.075 1.00 4.32 N ATOM 868 CA HIS A 55 -5.394 -31.236 3.141 1.00 24.40 C ATOM 869 C HIS A 55 -6.529 -30.736 4.054 1.00 11.21 C ATOM 870 O HIS A 55 -6.297 -30.430 5.221 1.00 1.10 O ATOM 871 CB HIS A 55 -4.626 -30.042 2.556 1.00 41.44 C ATOM 872 CG HIS A 55 -3.265 -30.392 2.032 1.00 55.03 C ATOM 873 ND1 HIS A 55 -2.875 -30.885 0.835 1.00 22.35 N flip ATOM 874 CD2 HIS A 55 -2.106 -30.232 2.767 1.00 64.14 C flip ATOM 875 CE1 HIS A 55 -1.509 -31.010 0.872 1.00 24.15 C flip ATOM 876 NE2 HIS A 55 -1.072 -30.610 2.045 1.00 12.34 N flip ATOM 0 H HIS A 55 -6.174 -31.618 1.221 1.00 4.32 H new ATOM 0 HA HIS A 55 -4.708 -31.832 3.743 1.00 24.40 H new ATOM 0 HB2 HIS A 55 -5.214 -29.605 1.749 1.00 41.44 H new ATOM 0 HB3 HIS A 55 -4.523 -29.277 3.326 1.00 41.44 H new ATOM 0 HD1 HIS A 55 -3.483 -31.120 0.051 1.00 22.35 H new ATOM 0 HD2 HIS A 55 -2.056 -29.855 3.778 1.00 64.14 H new ATOM 0 HE1 HIS A 55 -0.892 -31.378 0.066 1.00 24.15 H new ATOM 885 N GLU A 56 -7.751 -30.665 3.518 1.00 52.34 N ATOM 886 CA GLU A 56 -8.929 -30.221 4.286 1.00 15.42 C ATOM 887 C GLU A 56 -9.086 -31.018 5.585 1.00 21.51 C ATOM 888 O GLU A 56 -9.131 -30.446 6.677 1.00 61.34 O ATOM 889 CB GLU A 56 -10.202 -30.355 3.427 1.00 24.14 C ATOM 890 CG GLU A 56 -11.506 -30.112 4.184 1.00 12.13 C ATOM 891 CD GLU A 56 -12.722 -30.069 3.268 1.00 23.43 C ATOM 892 OE1 GLU A 56 -13.208 -31.146 2.867 1.00 70.24 O ATOM 893 OE2 GLU A 56 -13.202 -28.957 2.947 1.00 63.35 O ATOM 0 H GLU A 56 -7.956 -30.910 2.549 1.00 52.34 H new ATOM 0 HA GLU A 56 -8.780 -29.174 4.551 1.00 15.42 H new ATOM 0 HB2 GLU A 56 -10.141 -29.650 2.598 1.00 24.14 H new ATOM 0 HB3 GLU A 56 -10.229 -31.355 2.994 1.00 24.14 H new ATOM 0 HG2 GLU A 56 -11.643 -30.900 4.925 1.00 12.13 H new ATOM 0 HG3 GLU A 56 -11.434 -29.171 4.729 1.00 12.13 H new ATOM 900 N THR A 57 -9.148 -32.343 5.459 1.00 62.32 N ATOM 901 CA THR A 57 -9.266 -33.233 6.624 1.00 61.42 C ATOM 902 C THR A 57 -8.123 -33.015 7.631 1.00 53.34 C ATOM 903 O THR A 57 -8.288 -33.228 8.834 1.00 34.24 O ATOM 904 CB THR A 57 -9.294 -34.726 6.206 1.00 3.22 C ATOM 905 OG1 THR A 57 -9.437 -35.557 7.369 1.00 40.35 O ATOM 906 CG2 THR A 57 -8.029 -35.120 5.445 1.00 53.23 C ATOM 0 H THR A 57 -9.119 -32.829 4.563 1.00 62.32 H new ATOM 0 HA THR A 57 -10.212 -32.979 7.103 1.00 61.42 H new ATOM 0 HB THR A 57 -10.147 -34.870 5.542 1.00 3.22 H new ATOM 0 HG1 THR A 57 -9.456 -36.499 7.098 1.00 40.35 H new ATOM 0 HG21 THR A 57 -8.084 -36.173 5.168 1.00 53.23 H new ATOM 0 HG22 THR A 57 -7.942 -34.512 4.544 1.00 53.23 H new ATOM 0 HG23 THR A 57 -7.157 -34.956 6.079 1.00 53.23 H new ATOM 914 N ALA A 58 -6.968 -32.574 7.131 1.00 72.02 N ATOM 915 CA ALA A 58 -5.804 -32.299 7.980 1.00 53.54 C ATOM 916 C ALA A 58 -5.927 -30.936 8.684 1.00 63.43 C ATOM 917 O ALA A 58 -5.658 -30.815 9.882 1.00 54.32 O ATOM 918 CB ALA A 58 -4.524 -32.353 7.146 1.00 51.13 C ATOM 0 H ALA A 58 -6.812 -32.398 6.138 1.00 72.02 H new ATOM 0 HA ALA A 58 -5.762 -33.067 8.753 1.00 53.54 H new ATOM 0 HB1 ALA A 58 -3.665 -32.148 7.784 1.00 51.13 H new ATOM 0 HB2 ALA A 58 -4.419 -33.344 6.704 1.00 51.13 H new ATOM 0 HB3 ALA A 58 -4.574 -31.606 6.354 1.00 51.13 H new ATOM 924 N PHE A 59 -6.341 -29.914 7.935 1.00 42.22 N ATOM 925 CA PHE A 59 -6.469 -28.555 8.475 1.00 65.35 C ATOM 926 C PHE A 59 -7.649 -28.438 9.456 1.00 11.35 C ATOM 927 O PHE A 59 -7.672 -27.539 10.299 1.00 14.14 O ATOM 928 CB PHE A 59 -6.635 -27.534 7.343 1.00 41.10 C ATOM 929 CG PHE A 59 -5.444 -27.415 6.420 1.00 41.43 C ATOM 930 CD1 PHE A 59 -4.147 -27.494 6.911 1.00 55.31 C ATOM 931 CD2 PHE A 59 -5.626 -27.211 5.057 1.00 53.54 C ATOM 932 CE1 PHE A 59 -3.060 -27.372 6.065 1.00 22.04 C ATOM 933 CE2 PHE A 59 -4.542 -27.086 4.210 1.00 35.30 C ATOM 934 CZ PHE A 59 -3.258 -27.168 4.713 1.00 33.20 C ATOM 0 H PHE A 59 -6.594 -29.999 6.951 1.00 42.22 H new ATOM 0 HA PHE A 59 -5.551 -28.341 9.021 1.00 65.35 H new ATOM 0 HB2 PHE A 59 -7.510 -27.806 6.752 1.00 41.10 H new ATOM 0 HB3 PHE A 59 -6.837 -26.556 7.781 1.00 41.10 H new ATOM 0 HD1 PHE A 59 -3.985 -27.653 7.967 1.00 55.31 H new ATOM 0 HD2 PHE A 59 -6.627 -27.150 4.656 1.00 53.54 H new ATOM 0 HE1 PHE A 59 -2.057 -27.436 6.461 1.00 22.04 H new ATOM 0 HE2 PHE A 59 -4.698 -26.924 3.154 1.00 35.30 H new ATOM 0 HZ PHE A 59 -2.410 -27.073 4.050 1.00 33.20 H new ATOM 944 N GLN A 60 -8.627 -29.342 9.336 1.00 32.24 N ATOM 945 CA GLN A 60 -9.753 -29.409 10.285 1.00 22.41 C ATOM 946 C GLN A 60 -9.259 -29.407 11.743 1.00 75.52 C ATOM 947 O GLN A 60 -9.885 -28.814 12.624 1.00 42.13 O ATOM 948 CB GLN A 60 -10.601 -30.668 10.022 1.00 5.25 C ATOM 949 CG GLN A 60 -11.515 -30.576 8.799 1.00 51.03 C ATOM 950 CD GLN A 60 -12.668 -29.598 8.987 1.00 11.14 C ATOM 951 OE1 GLN A 60 -13.132 -29.372 10.099 1.00 32.44 O ATOM 952 NE2 GLN A 60 -13.156 -29.030 7.901 1.00 70.12 N ATOM 0 H GLN A 60 -8.665 -30.039 8.592 1.00 32.24 H new ATOM 0 HA GLN A 60 -10.368 -28.522 10.132 1.00 22.41 H new ATOM 0 HB2 GLN A 60 -9.933 -31.520 9.897 1.00 5.25 H new ATOM 0 HB3 GLN A 60 -11.212 -30.869 10.902 1.00 5.25 H new ATOM 0 HG2 GLN A 60 -10.925 -30.271 7.934 1.00 51.03 H new ATOM 0 HG3 GLN A 60 -11.917 -31.565 8.578 1.00 51.03 H new ATOM 0 HE21 GLN A 60 -12.748 -29.238 6.989 1.00 70.12 H new ATOM 0 HE22 GLN A 60 -13.941 -28.383 7.973 1.00 70.12 H new ATOM 961 N GLY A 61 -8.119 -30.059 11.982 1.00 15.02 N ATOM 962 CA GLY A 61 -7.524 -30.082 13.316 1.00 60.42 C ATOM 963 C GLY A 61 -7.173 -28.689 13.837 1.00 0.33 C ATOM 964 O GLY A 61 -7.201 -28.439 15.044 1.00 51.42 O ATOM 0 H GLY A 61 -7.595 -30.573 11.274 1.00 15.02 H new ATOM 0 HA2 GLY A 61 -8.217 -30.559 14.009 1.00 60.42 H new ATOM 0 HA3 GLY A 61 -6.622 -30.694 13.295 1.00 60.42 H new ATOM 968 N MET A 62 -6.841 -27.776 12.925 1.00 23.13 N ATOM 969 CA MET A 62 -6.539 -26.391 13.296 1.00 70.02 C ATOM 970 C MET A 62 -7.803 -25.516 13.303 1.00 14.13 C ATOM 971 O MET A 62 -8.043 -24.779 14.254 1.00 43.40 O ATOM 972 CB MET A 62 -5.485 -25.792 12.354 1.00 42.23 C ATOM 973 CG MET A 62 -4.124 -26.468 12.454 1.00 62.31 C ATOM 974 SD MET A 62 -2.840 -25.597 11.530 1.00 23.40 S ATOM 975 CE MET A 62 -3.479 -25.708 9.861 1.00 61.55 C ATOM 0 H MET A 62 -6.774 -27.968 11.926 1.00 23.13 H new ATOM 0 HA MET A 62 -6.137 -26.408 14.309 1.00 70.02 H new ATOM 0 HB2 MET A 62 -5.844 -25.866 11.327 1.00 42.23 H new ATOM 0 HB3 MET A 62 -5.372 -24.731 12.577 1.00 42.23 H new ATOM 0 HG2 MET A 62 -3.831 -26.532 13.502 1.00 62.31 H new ATOM 0 HG3 MET A 62 -4.203 -27.490 12.083 1.00 62.31 H new ATOM 0 HE1 MET A 62 -2.711 -25.391 9.155 1.00 61.55 H new ATOM 0 HE2 MET A 62 -3.765 -26.738 9.648 1.00 61.55 H new ATOM 0 HE3 MET A 62 -4.351 -25.062 9.762 1.00 61.55 H new ATOM 985 N LEU A 63 -8.620 -25.602 12.252 1.00 75.00 N ATOM 986 CA LEU A 63 -9.842 -24.787 12.168 1.00 44.34 C ATOM 987 C LEU A 63 -10.771 -25.009 13.372 1.00 44.21 C ATOM 988 O LEU A 63 -11.426 -24.072 13.827 1.00 13.31 O ATOM 989 CB LEU A 63 -10.605 -25.041 10.858 1.00 61.21 C ATOM 990 CG LEU A 63 -10.200 -24.141 9.676 1.00 35.12 C ATOM 991 CD1 LEU A 63 -8.776 -24.440 9.218 1.00 74.10 C ATOM 992 CD2 LEU A 63 -11.192 -24.288 8.524 1.00 63.00 C ATOM 0 H LEU A 63 -8.465 -26.218 11.454 1.00 75.00 H new ATOM 0 HA LEU A 63 -9.516 -23.747 12.182 1.00 44.34 H new ATOM 0 HB2 LEU A 63 -10.459 -26.081 10.568 1.00 61.21 H new ATOM 0 HB3 LEU A 63 -11.671 -24.909 11.046 1.00 61.21 H new ATOM 0 HG LEU A 63 -10.225 -23.105 10.015 1.00 35.12 H new ATOM 0 HD11 LEU A 63 -8.518 -23.789 8.382 1.00 74.10 H new ATOM 0 HD12 LEU A 63 -8.084 -24.264 10.042 1.00 74.10 H new ATOM 0 HD13 LEU A 63 -8.706 -25.481 8.902 1.00 74.10 H new ATOM 0 HD21 LEU A 63 -10.889 -23.644 7.698 1.00 63.00 H new ATOM 0 HD22 LEU A 63 -11.209 -25.325 8.188 1.00 63.00 H new ATOM 0 HD23 LEU A 63 -12.187 -24.000 8.862 1.00 63.00 H new ATOM 1004 N ARG A 64 -10.806 -26.235 13.899 1.00 54.51 N ATOM 1005 CA ARG A 64 -11.649 -26.550 15.062 1.00 24.20 C ATOM 1006 C ARG A 64 -11.220 -25.754 16.314 1.00 2.11 C ATOM 1007 O ARG A 64 -11.973 -25.650 17.286 1.00 31.21 O ATOM 1008 CB ARG A 64 -11.627 -28.059 15.355 1.00 32.50 C ATOM 1009 CG ARG A 64 -10.322 -28.566 15.966 1.00 45.34 C ATOM 1010 CD ARG A 64 -10.340 -30.082 16.166 1.00 44.33 C ATOM 1011 NE ARG A 64 -9.245 -30.533 17.026 1.00 31.43 N ATOM 1012 CZ ARG A 64 -8.900 -31.784 17.195 1.00 0.21 C ATOM 1013 NH1 ARG A 64 -9.445 -32.729 16.497 1.00 41.11 N ATOM 1014 NH2 ARG A 64 -7.975 -32.084 18.045 1.00 73.14 N ATOM 0 H ARG A 64 -10.265 -27.024 13.544 1.00 54.51 H new ATOM 0 HA ARG A 64 -12.668 -26.253 14.814 1.00 24.20 H new ATOM 0 HB2 ARG A 64 -12.447 -28.297 16.032 1.00 32.50 H new ATOM 0 HB3 ARG A 64 -11.813 -28.599 14.427 1.00 32.50 H new ATOM 0 HG2 ARG A 64 -9.488 -28.295 15.319 1.00 45.34 H new ATOM 0 HG3 ARG A 64 -10.154 -28.075 16.925 1.00 45.34 H new ATOM 0 HD2 ARG A 64 -11.292 -30.379 16.605 1.00 44.33 H new ATOM 0 HD3 ARG A 64 -10.268 -30.577 15.197 1.00 44.33 H new ATOM 0 HE ARG A 64 -8.713 -29.822 17.529 1.00 31.43 H new ATOM 0 HH11 ARG A 64 -10.156 -32.504 15.801 1.00 41.11 H new ATOM 0 HH12 ARG A 64 -9.163 -33.698 16.643 1.00 41.11 H new ATOM 0 HH21 ARG A 64 -7.517 -31.347 18.581 1.00 73.14 H new ATOM 0 HH22 ARG A 64 -7.703 -33.058 18.180 1.00 73.14 H new ATOM 1028 N LYS A 65 -10.001 -25.210 16.293 1.00 1.30 N ATOM 1029 CA LYS A 65 -9.521 -24.327 17.369 1.00 11.15 C ATOM 1030 C LYS A 65 -9.307 -22.890 16.855 1.00 72.42 C ATOM 1031 O LYS A 65 -8.870 -22.014 17.601 1.00 54.42 O ATOM 1032 CB LYS A 65 -8.215 -24.864 17.979 1.00 25.35 C ATOM 1033 CG LYS A 65 -7.026 -24.856 17.024 1.00 31.04 C ATOM 1034 CD LYS A 65 -5.729 -25.234 17.734 1.00 5.22 C ATOM 1035 CE LYS A 65 -4.524 -25.169 16.800 1.00 5.15 C ATOM 1036 NZ LYS A 65 -3.248 -25.438 17.517 1.00 40.00 N ATOM 0 H LYS A 65 -9.325 -25.363 15.544 1.00 1.30 H new ATOM 0 HA LYS A 65 -10.288 -24.308 18.143 1.00 11.15 H new ATOM 0 HB2 LYS A 65 -7.965 -24.267 18.856 1.00 25.35 H new ATOM 0 HB3 LYS A 65 -8.382 -25.884 18.324 1.00 25.35 H new ATOM 0 HG2 LYS A 65 -7.211 -25.554 16.207 1.00 31.04 H new ATOM 0 HG3 LYS A 65 -6.923 -23.866 16.580 1.00 31.04 H new ATOM 0 HD2 LYS A 65 -5.569 -24.563 18.578 1.00 5.22 H new ATOM 0 HD3 LYS A 65 -5.819 -26.242 18.140 1.00 5.22 H new ATOM 0 HE2 LYS A 65 -4.648 -25.895 15.997 1.00 5.15 H new ATOM 0 HE3 LYS A 65 -4.478 -24.184 16.335 1.00 5.15 H new ATOM 0 HZ1 LYS A 65 -2.455 -25.384 16.846 1.00 40.00 H new ATOM 0 HZ2 LYS A 65 -3.116 -24.730 18.267 1.00 40.00 H new ATOM 0 HZ3 LYS A 65 -3.281 -26.388 17.939 1.00 40.00 H new ATOM 1050 N LEU A 66 -9.610 -22.662 15.575 1.00 41.23 N ATOM 1051 CA LEU A 66 -9.495 -21.330 14.960 1.00 1.14 C ATOM 1052 C LEU A 66 -10.870 -20.665 14.810 1.00 10.55 C ATOM 1053 O LEU A 66 -11.208 -19.747 15.561 1.00 43.12 O ATOM 1054 CB LEU A 66 -8.835 -21.419 13.571 1.00 64.04 C ATOM 1055 CG LEU A 66 -7.349 -21.810 13.551 1.00 33.31 C ATOM 1056 CD1 LEU A 66 -6.865 -21.986 12.112 1.00 33.22 C ATOM 1057 CD2 LEU A 66 -6.503 -20.767 14.280 1.00 23.21 C ATOM 0 H LEU A 66 -9.940 -23.386 14.937 1.00 41.23 H new ATOM 0 HA LEU A 66 -8.874 -20.727 15.622 1.00 1.14 H new ATOM 0 HB2 LEU A 66 -9.388 -22.144 12.974 1.00 64.04 H new ATOM 0 HB3 LEU A 66 -8.942 -20.453 13.078 1.00 64.04 H new ATOM 0 HG LEU A 66 -7.237 -22.760 14.073 1.00 33.31 H new ATOM 0 HD11 LEU A 66 -5.811 -22.263 12.114 1.00 33.22 H new ATOM 0 HD12 LEU A 66 -7.445 -22.771 11.626 1.00 33.22 H new ATOM 0 HD13 LEU A 66 -6.993 -21.050 11.568 1.00 33.22 H new ATOM 0 HD21 LEU A 66 -5.455 -21.065 14.253 1.00 23.21 H new ATOM 0 HD22 LEU A 66 -6.618 -19.799 13.792 1.00 23.21 H new ATOM 0 HD23 LEU A 66 -6.832 -20.691 15.316 1.00 23.21 H new ATOM 1069 N ASP A 67 -11.653 -21.156 13.837 1.00 43.00 N ATOM 1070 CA ASP A 67 -12.935 -20.548 13.449 1.00 50.52 C ATOM 1071 C ASP A 67 -12.860 -19.009 13.418 1.00 72.53 C ATOM 1072 O ASP A 67 -13.219 -18.330 14.385 1.00 15.02 O ATOM 1073 CB ASP A 67 -14.062 -21.035 14.364 1.00 63.04 C ATOM 1074 CG ASP A 67 -14.330 -22.523 14.194 1.00 44.22 C ATOM 1075 OD1 ASP A 67 -14.489 -22.974 13.038 1.00 64.34 O ATOM 1076 OD2 ASP A 67 -14.400 -23.247 15.210 1.00 13.12 O ATOM 0 H ASP A 67 -11.414 -21.987 13.296 1.00 43.00 H new ATOM 0 HA ASP A 67 -13.158 -20.871 12.432 1.00 50.52 H new ATOM 0 HB2 ASP A 67 -13.801 -20.830 15.402 1.00 63.04 H new ATOM 0 HB3 ASP A 67 -14.972 -20.475 14.148 1.00 63.04 H new ATOM 1081 N ILE A 68 -12.395 -18.475 12.288 1.00 64.32 N ATOM 1082 CA ILE A 68 -12.126 -17.039 12.141 1.00 43.32 C ATOM 1083 C ILE A 68 -13.387 -16.185 12.372 1.00 10.44 C ATOM 1084 O ILE A 68 -14.284 -16.118 11.527 1.00 44.43 O ATOM 1085 CB ILE A 68 -11.513 -16.711 10.744 1.00 25.51 C ATOM 1086 CG1 ILE A 68 -10.076 -17.270 10.612 1.00 2.15 C ATOM 1087 CG2 ILE A 68 -11.519 -15.200 10.486 1.00 40.24 C ATOM 1088 CD1 ILE A 68 -9.965 -18.781 10.696 1.00 12.53 C ATOM 0 H ILE A 68 -12.194 -19.021 11.450 1.00 64.32 H new ATOM 0 HA ILE A 68 -11.399 -16.784 12.912 1.00 43.32 H new ATOM 0 HB ILE A 68 -12.136 -17.196 9.993 1.00 25.51 H new ATOM 0 HG12 ILE A 68 -9.661 -16.943 9.659 1.00 2.15 H new ATOM 0 HG13 ILE A 68 -9.458 -16.831 11.396 1.00 2.15 H new ATOM 0 HG21 ILE A 68 -11.087 -14.996 9.506 1.00 40.24 H new ATOM 0 HG22 ILE A 68 -12.544 -14.830 10.515 1.00 40.24 H new ATOM 0 HG23 ILE A 68 -10.930 -14.697 11.254 1.00 40.24 H new ATOM 0 HD11 ILE A 68 -8.921 -19.075 10.593 1.00 12.53 H new ATOM 0 HD12 ILE A 68 -10.344 -19.121 11.660 1.00 12.53 H new ATOM 0 HD13 ILE A 68 -10.550 -19.234 9.896 1.00 12.53 H new ATOM 1100 N LYS A 69 -13.443 -15.539 13.534 1.00 23.54 N ATOM 1101 CA LYS A 69 -14.563 -14.663 13.897 1.00 32.23 C ATOM 1102 C LYS A 69 -14.152 -13.178 13.933 1.00 45.35 C ATOM 1103 O LYS A 69 -14.995 -12.304 14.134 1.00 51.21 O ATOM 1104 CB LYS A 69 -15.180 -15.111 15.241 1.00 42.30 C ATOM 1105 CG LYS A 69 -14.168 -15.594 16.286 1.00 2.02 C ATOM 1106 CD LYS A 69 -13.338 -14.461 16.890 1.00 52.24 C ATOM 1107 CE LYS A 69 -14.184 -13.520 17.739 1.00 12.22 C ATOM 1108 NZ LYS A 69 -13.349 -12.509 18.440 1.00 30.01 N ATOM 0 H LYS A 69 -12.719 -15.605 14.250 1.00 23.54 H new ATOM 0 HA LYS A 69 -15.322 -14.755 13.120 1.00 32.23 H new ATOM 0 HB2 LYS A 69 -15.744 -14.278 15.661 1.00 42.30 H new ATOM 0 HB3 LYS A 69 -15.892 -15.913 15.048 1.00 42.30 H new ATOM 0 HG2 LYS A 69 -14.699 -16.112 17.084 1.00 2.02 H new ATOM 0 HG3 LYS A 69 -13.498 -16.320 15.825 1.00 2.02 H new ATOM 0 HD2 LYS A 69 -12.541 -14.883 17.502 1.00 52.24 H new ATOM 0 HD3 LYS A 69 -12.860 -13.896 16.090 1.00 52.24 H new ATOM 0 HE2 LYS A 69 -14.912 -13.014 17.105 1.00 12.22 H new ATOM 0 HE3 LYS A 69 -14.747 -14.098 18.472 1.00 12.22 H new ATOM 0 HZ1 LYS A 69 -13.892 -12.094 19.224 1.00 30.01 H new ATOM 0 HZ2 LYS A 69 -12.493 -12.965 18.815 1.00 30.01 H new ATOM 0 HZ3 LYS A 69 -13.077 -11.760 17.772 1.00 30.01 H new ATOM 1122 N ASN A 70 -12.859 -12.897 13.742 1.00 13.51 N ATOM 1123 CA ASN A 70 -12.380 -11.508 13.624 1.00 24.13 C ATOM 1124 C ASN A 70 -11.016 -11.432 12.914 1.00 33.03 C ATOM 1125 O ASN A 70 -10.357 -12.449 12.695 1.00 43.03 O ATOM 1126 CB ASN A 70 -12.315 -10.810 14.998 1.00 34.42 C ATOM 1127 CG ASN A 70 -11.192 -11.296 15.902 1.00 41.21 C ATOM 1128 OD1 ASN A 70 -10.873 -12.567 15.853 1.00 1.21 O flip ATOM 1129 ND2 ASN A 70 -10.624 -10.525 16.662 1.00 2.33 N flip ATOM 0 H ASN A 70 -12.127 -13.604 13.666 1.00 13.51 H new ATOM 0 HA ASN A 70 -13.107 -10.977 13.010 1.00 24.13 H new ATOM 0 HB2 ASN A 70 -12.199 -9.738 14.841 1.00 34.42 H new ATOM 0 HB3 ASN A 70 -13.266 -10.956 15.511 1.00 34.42 H new ATOM 0 HD21 ASN A 70 -10.890 -9.540 16.682 1.00 2.33 H new ATOM 0 HD22 ASN A 70 -9.884 -10.866 17.276 1.00 2.33 H new ATOM 1136 N GLU A 71 -10.602 -10.213 12.568 1.00 54.40 N ATOM 1137 CA GLU A 71 -9.373 -9.984 11.791 1.00 13.41 C ATOM 1138 C GLU A 71 -8.123 -10.587 12.462 1.00 54.14 C ATOM 1139 O GLU A 71 -7.228 -11.096 11.781 1.00 42.12 O ATOM 1140 CB GLU A 71 -9.176 -8.477 11.565 1.00 33.24 C ATOM 1141 CG GLU A 71 -7.992 -8.133 10.666 1.00 44.21 C ATOM 1142 CD GLU A 71 -7.869 -6.640 10.405 1.00 73.41 C ATOM 1143 OE1 GLU A 71 -8.616 -6.120 9.551 1.00 71.03 O ATOM 1144 OE2 GLU A 71 -7.025 -5.982 11.049 1.00 11.13 O ATOM 0 H GLU A 71 -11.102 -9.359 12.814 1.00 54.40 H new ATOM 0 HA GLU A 71 -9.495 -10.493 10.835 1.00 13.41 H new ATOM 0 HB2 GLU A 71 -10.084 -8.064 11.126 1.00 33.24 H new ATOM 0 HB3 GLU A 71 -9.039 -7.990 12.531 1.00 33.24 H new ATOM 0 HG2 GLU A 71 -7.073 -8.494 11.128 1.00 44.21 H new ATOM 0 HG3 GLU A 71 -8.098 -8.656 9.716 1.00 44.21 H new ATOM 1151 N ASP A 72 -8.064 -10.531 13.792 1.00 13.24 N ATOM 1152 CA ASP A 72 -6.929 -11.086 14.541 1.00 2.02 C ATOM 1153 C ASP A 72 -6.691 -12.569 14.198 1.00 1.14 C ATOM 1154 O ASP A 72 -5.547 -13.025 14.144 1.00 74.45 O ATOM 1155 CB ASP A 72 -7.152 -10.908 16.047 1.00 72.12 C ATOM 1156 CG ASP A 72 -6.045 -11.535 16.880 1.00 55.01 C ATOM 1157 OD1 ASP A 72 -4.906 -11.018 16.862 1.00 43.32 O ATOM 1158 OD2 ASP A 72 -6.311 -12.550 17.558 1.00 50.30 O ATOM 0 H ASP A 72 -8.786 -10.108 14.375 1.00 13.24 H new ATOM 0 HA ASP A 72 -6.034 -10.537 14.248 1.00 2.02 H new ATOM 0 HB2 ASP A 72 -7.217 -9.845 16.278 1.00 72.12 H new ATOM 0 HB3 ASP A 72 -8.107 -11.354 16.324 1.00 72.12 H new ATOM 1163 N ASP A 73 -7.770 -13.315 13.946 1.00 3.30 N ATOM 1164 CA ASP A 73 -7.650 -14.720 13.534 1.00 71.21 C ATOM 1165 C ASP A 73 -6.911 -14.834 12.193 1.00 30.45 C ATOM 1166 O ASP A 73 -6.051 -15.698 12.016 1.00 5.13 O ATOM 1167 CB ASP A 73 -9.026 -15.375 13.414 1.00 71.23 C ATOM 1168 CG ASP A 73 -9.806 -15.351 14.712 1.00 22.42 C ATOM 1169 OD1 ASP A 73 -9.242 -15.731 15.759 1.00 32.34 O ATOM 1170 OD2 ASP A 73 -10.986 -14.949 14.687 1.00 71.22 O ATOM 0 H ASP A 73 -8.729 -12.975 14.019 1.00 3.30 H new ATOM 0 HA ASP A 73 -7.077 -15.239 14.302 1.00 71.21 H new ATOM 0 HB2 ASP A 73 -9.600 -14.863 12.642 1.00 71.23 H new ATOM 0 HB3 ASP A 73 -8.904 -16.408 13.089 1.00 71.23 H new ATOM 1175 N VAL A 74 -7.249 -13.949 11.256 1.00 23.23 N ATOM 1176 CA VAL A 74 -6.569 -13.893 9.957 1.00 34.22 C ATOM 1177 C VAL A 74 -5.074 -13.590 10.141 1.00 31.30 C ATOM 1178 O VAL A 74 -4.215 -14.212 9.513 1.00 20.13 O ATOM 1179 CB VAL A 74 -7.208 -12.826 9.031 1.00 65.12 C ATOM 1180 CG1 VAL A 74 -6.508 -12.788 7.673 1.00 53.35 C ATOM 1181 CG2 VAL A 74 -8.705 -13.089 8.867 1.00 74.23 C ATOM 0 H VAL A 74 -7.991 -13.258 11.370 1.00 23.23 H new ATOM 0 HA VAL A 74 -6.681 -14.870 9.487 1.00 34.22 H new ATOM 0 HB VAL A 74 -7.080 -11.849 9.497 1.00 65.12 H new ATOM 0 HG11 VAL A 74 -6.976 -12.031 7.043 1.00 53.35 H new ATOM 0 HG12 VAL A 74 -5.455 -12.543 7.813 1.00 53.35 H new ATOM 0 HG13 VAL A 74 -6.593 -13.763 7.193 1.00 53.35 H new ATOM 0 HG21 VAL A 74 -9.138 -12.331 8.214 1.00 74.23 H new ATOM 0 HG22 VAL A 74 -8.855 -14.075 8.428 1.00 74.23 H new ATOM 0 HG23 VAL A 74 -9.191 -13.048 9.842 1.00 74.23 H new ATOM 1191 N LYS A 75 -4.770 -12.646 11.029 1.00 33.11 N ATOM 1192 CA LYS A 75 -3.380 -12.328 11.370 1.00 43.31 C ATOM 1193 C LYS A 75 -2.699 -13.511 12.080 1.00 74.31 C ATOM 1194 O LYS A 75 -1.484 -13.693 11.983 1.00 33.13 O ATOM 1195 CB LYS A 75 -3.314 -11.066 12.242 1.00 71.15 C ATOM 1196 CG LYS A 75 -3.874 -9.822 11.555 1.00 34.44 C ATOM 1197 CD LYS A 75 -3.638 -8.554 12.373 1.00 54.44 C ATOM 1198 CE LYS A 75 -4.171 -7.320 11.653 1.00 40.54 C ATOM 1199 NZ LYS A 75 -3.805 -6.060 12.350 1.00 41.42 N ATOM 0 H LYS A 75 -5.464 -12.087 11.526 1.00 33.11 H new ATOM 0 HA LYS A 75 -2.841 -12.137 10.442 1.00 43.31 H new ATOM 0 HB2 LYS A 75 -3.867 -11.242 13.165 1.00 71.15 H new ATOM 0 HB3 LYS A 75 -2.277 -10.881 12.522 1.00 71.15 H new ATOM 0 HG2 LYS A 75 -3.411 -9.711 10.575 1.00 34.44 H new ATOM 0 HG3 LYS A 75 -4.944 -9.951 11.389 1.00 34.44 H new ATOM 0 HD2 LYS A 75 -4.125 -8.649 13.344 1.00 54.44 H new ATOM 0 HD3 LYS A 75 -2.571 -8.434 12.562 1.00 54.44 H new ATOM 0 HE2 LYS A 75 -3.779 -7.297 10.636 1.00 40.54 H new ATOM 0 HE3 LYS A 75 -5.256 -7.388 11.575 1.00 40.54 H new ATOM 0 HZ1 LYS A 75 -4.189 -5.249 11.825 1.00 41.42 H new ATOM 0 HZ2 LYS A 75 -4.200 -6.068 13.312 1.00 41.42 H new ATOM 0 HZ3 LYS A 75 -2.769 -5.980 12.402 1.00 41.42 H new ATOM 1213 N SER A 76 -3.484 -14.311 12.801 1.00 64.30 N ATOM 1214 CA SER A 76 -2.973 -15.546 13.416 1.00 22.23 C ATOM 1215 C SER A 76 -2.626 -16.580 12.340 1.00 33.54 C ATOM 1216 O SER A 76 -1.636 -17.306 12.457 1.00 33.24 O ATOM 1217 CB SER A 76 -3.994 -16.143 14.396 1.00 11.55 C ATOM 1218 OG SER A 76 -4.251 -15.260 15.476 1.00 75.15 O ATOM 0 H SER A 76 -4.473 -14.131 12.976 1.00 64.30 H new ATOM 0 HA SER A 76 -2.070 -15.288 13.970 1.00 22.23 H new ATOM 0 HB2 SER A 76 -4.924 -16.357 13.870 1.00 11.55 H new ATOM 0 HB3 SER A 76 -3.620 -17.092 14.781 1.00 11.55 H new ATOM 0 HG SER A 76 -4.680 -14.446 15.138 1.00 75.15 H new ATOM 1224 N LEU A 77 -3.443 -16.636 11.287 1.00 0.43 N ATOM 1225 CA LEU A 77 -3.179 -17.519 10.144 1.00 11.20 C ATOM 1226 C LEU A 77 -1.818 -17.207 9.504 1.00 20.23 C ATOM 1227 O LEU A 77 -1.139 -18.105 9.015 1.00 23.35 O ATOM 1228 CB LEU A 77 -4.289 -17.383 9.091 1.00 33.50 C ATOM 1229 CG LEU A 77 -5.696 -17.791 9.557 1.00 31.31 C ATOM 1230 CD1 LEU A 77 -6.724 -17.537 8.456 1.00 64.22 C ATOM 1231 CD2 LEU A 77 -5.720 -19.257 9.988 1.00 64.43 C ATOM 0 H LEU A 77 -4.294 -16.081 11.200 1.00 0.43 H new ATOM 0 HA LEU A 77 -3.160 -18.544 10.515 1.00 11.20 H new ATOM 0 HB2 LEU A 77 -4.323 -16.346 8.755 1.00 33.50 H new ATOM 0 HB3 LEU A 77 -4.021 -17.990 8.226 1.00 33.50 H new ATOM 0 HG LEU A 77 -5.959 -17.178 10.419 1.00 31.31 H new ATOM 0 HD11 LEU A 77 -7.713 -17.833 8.806 1.00 64.22 H new ATOM 0 HD12 LEU A 77 -6.731 -16.477 8.202 1.00 64.22 H new ATOM 0 HD13 LEU A 77 -6.463 -18.120 7.573 1.00 64.22 H new ATOM 0 HD21 LEU A 77 -6.725 -19.524 10.314 1.00 64.43 H new ATOM 0 HD22 LEU A 77 -5.431 -19.888 9.147 1.00 64.43 H new ATOM 0 HD23 LEU A 77 -5.020 -19.406 10.811 1.00 64.43 H new ATOM 1243 N SER A 78 -1.422 -15.930 9.529 1.00 51.41 N ATOM 1244 CA SER A 78 -0.127 -15.494 8.972 1.00 1.02 C ATOM 1245 C SER A 78 1.038 -16.323 9.534 1.00 71.42 C ATOM 1246 O SER A 78 1.942 -16.723 8.798 1.00 64.43 O ATOM 1247 CB SER A 78 0.106 -14.004 9.267 1.00 53.43 C ATOM 1248 OG SER A 78 1.372 -13.564 8.791 1.00 3.03 O ATOM 0 H SER A 78 -1.978 -15.175 9.929 1.00 51.41 H new ATOM 0 HA SER A 78 -0.164 -15.649 7.894 1.00 1.02 H new ATOM 0 HB2 SER A 78 -0.683 -13.413 8.801 1.00 53.43 H new ATOM 0 HB3 SER A 78 0.041 -13.832 10.341 1.00 53.43 H new ATOM 0 HG SER A 78 1.485 -12.612 8.994 1.00 3.03 H new ATOM 1254 N ARG A 79 0.992 -16.603 10.837 1.00 20.42 N ATOM 1255 CA ARG A 79 2.024 -17.411 11.497 1.00 62.01 C ATOM 1256 C ARG A 79 2.091 -18.830 10.913 1.00 72.15 C ATOM 1257 O ARG A 79 3.174 -19.404 10.767 1.00 71.31 O ATOM 1258 CB ARG A 79 1.764 -17.463 13.010 1.00 71.21 C ATOM 1259 CG ARG A 79 1.950 -16.115 13.702 1.00 70.52 C ATOM 1260 CD ARG A 79 3.387 -15.622 13.569 1.00 3.22 C ATOM 1261 NE ARG A 79 3.585 -14.290 14.131 1.00 61.35 N ATOM 1262 CZ ARG A 79 4.751 -13.801 14.452 1.00 22.22 C ATOM 1263 NH1 ARG A 79 5.826 -14.509 14.316 1.00 65.30 N ATOM 1264 NH2 ARG A 79 4.837 -12.598 14.912 1.00 40.11 N ATOM 0 H ARG A 79 0.250 -16.282 11.459 1.00 20.42 H new ATOM 0 HA ARG A 79 2.989 -16.937 11.317 1.00 62.01 H new ATOM 0 HB2 ARG A 79 0.748 -17.816 13.185 1.00 71.21 H new ATOM 0 HB3 ARG A 79 2.437 -18.192 13.462 1.00 71.21 H new ATOM 0 HG2 ARG A 79 1.270 -15.383 13.267 1.00 70.52 H new ATOM 0 HG3 ARG A 79 1.690 -16.205 14.757 1.00 70.52 H new ATOM 0 HD2 ARG A 79 4.054 -16.324 14.068 1.00 3.22 H new ATOM 0 HD3 ARG A 79 3.666 -15.611 12.515 1.00 3.22 H new ATOM 0 HE ARG A 79 2.762 -13.706 14.282 1.00 61.35 H new ATOM 0 HH11 ARG A 79 5.767 -15.461 13.954 1.00 65.30 H new ATOM 0 HH12 ARG A 79 6.732 -14.115 14.571 1.00 65.30 H new ATOM 0 HH21 ARG A 79 3.995 -12.033 15.023 1.00 40.11 H new ATOM 0 HH22 ARG A 79 5.747 -12.212 15.164 1.00 40.11 H new ATOM 1278 N VAL A 80 0.931 -19.389 10.575 1.00 12.04 N ATOM 1279 CA VAL A 80 0.863 -20.703 9.924 1.00 44.24 C ATOM 1280 C VAL A 80 1.332 -20.617 8.462 1.00 2.20 C ATOM 1281 O VAL A 80 2.063 -21.484 7.978 1.00 45.34 O ATOM 1282 CB VAL A 80 -0.576 -21.281 9.961 1.00 35.30 C ATOM 1283 CG1 VAL A 80 -0.625 -22.679 9.342 1.00 45.43 C ATOM 1284 CG2 VAL A 80 -1.115 -21.298 11.391 1.00 21.22 C ATOM 0 H VAL A 80 0.023 -18.955 10.740 1.00 12.04 H new ATOM 0 HA VAL A 80 1.525 -21.367 10.479 1.00 44.24 H new ATOM 0 HB VAL A 80 -1.215 -20.631 9.364 1.00 35.30 H new ATOM 0 HG11 VAL A 80 -1.646 -23.059 9.382 1.00 45.43 H new ATOM 0 HG12 VAL A 80 -0.297 -22.629 8.304 1.00 45.43 H new ATOM 0 HG13 VAL A 80 0.033 -23.347 9.899 1.00 45.43 H new ATOM 0 HG21 VAL A 80 -2.125 -21.707 11.394 1.00 21.22 H new ATOM 0 HG22 VAL A 80 -0.471 -21.917 12.015 1.00 21.22 H new ATOM 0 HG23 VAL A 80 -1.134 -20.282 11.785 1.00 21.22 H new ATOM 1294 N MET A 81 0.912 -19.553 7.774 1.00 1.33 N ATOM 1295 CA MET A 81 1.275 -19.326 6.368 1.00 44.01 C ATOM 1296 C MET A 81 2.800 -19.338 6.171 1.00 53.24 C ATOM 1297 O MET A 81 3.314 -19.920 5.215 1.00 41.23 O ATOM 1298 CB MET A 81 0.691 -17.993 5.881 1.00 54.21 C ATOM 1299 CG MET A 81 -0.827 -17.954 5.930 1.00 54.43 C ATOM 1300 SD MET A 81 -1.576 -19.332 5.043 1.00 2.15 S ATOM 1301 CE MET A 81 -3.297 -19.118 5.475 1.00 35.03 C ATOM 0 H MET A 81 0.315 -18.827 8.170 1.00 1.33 H new ATOM 0 HA MET A 81 0.855 -20.141 5.778 1.00 44.01 H new ATOM 0 HB2 MET A 81 1.089 -17.184 6.493 1.00 54.21 H new ATOM 0 HB3 MET A 81 1.020 -17.811 4.858 1.00 54.21 H new ATOM 0 HG2 MET A 81 -1.155 -17.972 6.969 1.00 54.43 H new ATOM 0 HG3 MET A 81 -1.178 -17.015 5.501 1.00 54.43 H new ATOM 0 HE1 MET A 81 -3.917 -19.715 4.806 1.00 35.03 H new ATOM 0 HE2 MET A 81 -3.457 -19.442 6.503 1.00 35.03 H new ATOM 0 HE3 MET A 81 -3.568 -18.067 5.379 1.00 35.03 H new ATOM 1311 N ILE A 82 3.516 -18.692 7.088 1.00 50.42 N ATOM 1312 CA ILE A 82 4.984 -18.696 7.076 1.00 11.55 C ATOM 1313 C ILE A 82 5.539 -20.131 7.162 1.00 61.34 C ATOM 1314 O ILE A 82 6.494 -20.487 6.465 1.00 22.21 O ATOM 1315 CB ILE A 82 5.542 -17.853 8.252 1.00 23.02 C ATOM 1316 CG1 ILE A 82 5.033 -16.404 8.154 1.00 42.14 C ATOM 1317 CG2 ILE A 82 7.072 -17.890 8.271 1.00 72.51 C ATOM 1318 CD1 ILE A 82 5.389 -15.542 9.348 1.00 2.00 C ATOM 0 H ILE A 82 3.106 -18.156 7.853 1.00 50.42 H new ATOM 0 HA ILE A 82 5.305 -18.254 6.133 1.00 11.55 H new ATOM 0 HB ILE A 82 5.185 -18.285 9.187 1.00 23.02 H new ATOM 0 HG12 ILE A 82 5.443 -15.946 7.254 1.00 42.14 H new ATOM 0 HG13 ILE A 82 3.949 -16.418 8.039 1.00 42.14 H new ATOM 0 HG21 ILE A 82 7.440 -17.292 9.104 1.00 72.51 H new ATOM 0 HG22 ILE A 82 7.410 -18.920 8.387 1.00 72.51 H new ATOM 0 HG23 ILE A 82 7.457 -17.485 7.335 1.00 72.51 H new ATOM 0 HD11 ILE A 82 4.994 -14.537 9.201 1.00 2.00 H new ATOM 0 HD12 ILE A 82 4.956 -15.974 10.250 1.00 2.00 H new ATOM 0 HD13 ILE A 82 6.473 -15.495 9.452 1.00 2.00 H new ATOM 1330 N HIS A 83 4.915 -20.957 8.006 1.00 10.14 N ATOM 1331 CA HIS A 83 5.329 -22.357 8.182 1.00 55.01 C ATOM 1332 C HIS A 83 5.059 -23.204 6.928 1.00 42.34 C ATOM 1333 O HIS A 83 5.730 -24.209 6.700 1.00 74.30 O ATOM 1334 CB HIS A 83 4.650 -22.982 9.407 1.00 74.41 C ATOM 1335 CG HIS A 83 5.172 -22.458 10.711 1.00 1.02 C ATOM 1336 ND1 HIS A 83 6.511 -22.222 10.942 1.00 51.24 N ATOM 1337 CD2 HIS A 83 4.534 -22.130 11.859 1.00 43.23 C ATOM 1338 CE1 HIS A 83 6.673 -21.777 12.170 1.00 73.14 C ATOM 1339 NE2 HIS A 83 5.491 -21.711 12.749 1.00 54.32 N ATOM 0 H HIS A 83 4.119 -20.682 8.581 1.00 10.14 H new ATOM 0 HA HIS A 83 6.407 -22.349 8.346 1.00 55.01 H new ATOM 0 HB2 HIS A 83 3.577 -22.796 9.353 1.00 74.41 H new ATOM 0 HB3 HIS A 83 4.788 -24.063 9.377 1.00 74.41 H new ATOM 0 HD2 HIS A 83 3.471 -22.187 12.041 1.00 43.23 H new ATOM 0 HE1 HIS A 83 7.615 -21.511 12.626 1.00 73.14 H new ATOM 0 HE2 HIS A 83 5.316 -21.399 13.704 1.00 54.32 H new ATOM 1348 N VAL A 84 4.069 -22.815 6.125 1.00 24.41 N ATOM 1349 CA VAL A 84 3.816 -23.490 4.843 1.00 35.02 C ATOM 1350 C VAL A 84 5.075 -23.468 3.948 1.00 53.45 C ATOM 1351 O VAL A 84 5.264 -24.334 3.093 1.00 34.24 O ATOM 1352 CB VAL A 84 2.631 -22.840 4.081 1.00 11.22 C ATOM 1353 CG1 VAL A 84 2.377 -23.551 2.751 1.00 24.34 C ATOM 1354 CG2 VAL A 84 1.371 -22.842 4.946 1.00 61.13 C ATOM 0 H VAL A 84 3.433 -22.045 6.332 1.00 24.41 H new ATOM 0 HA VAL A 84 3.557 -24.524 5.073 1.00 35.02 H new ATOM 0 HB VAL A 84 2.896 -21.806 3.862 1.00 11.22 H new ATOM 0 HG11 VAL A 84 1.541 -23.075 2.238 1.00 24.34 H new ATOM 0 HG12 VAL A 84 3.269 -23.487 2.128 1.00 24.34 H new ATOM 0 HG13 VAL A 84 2.139 -24.598 2.938 1.00 24.34 H new ATOM 0 HG21 VAL A 84 0.551 -22.382 4.395 1.00 61.13 H new ATOM 0 HG22 VAL A 84 1.107 -23.868 5.201 1.00 61.13 H new ATOM 0 HG23 VAL A 84 1.556 -22.277 5.860 1.00 61.13 H new ATOM 1364 N PHE A 85 5.943 -22.479 4.168 1.00 23.41 N ATOM 1365 CA PHE A 85 7.189 -22.351 3.400 1.00 41.20 C ATOM 1366 C PHE A 85 8.383 -23.050 4.078 1.00 70.52 C ATOM 1367 O PHE A 85 9.509 -22.961 3.586 1.00 4.44 O ATOM 1368 CB PHE A 85 7.522 -20.871 3.174 1.00 33.11 C ATOM 1369 CG PHE A 85 6.554 -20.168 2.260 1.00 40.02 C ATOM 1370 CD1 PHE A 85 6.443 -20.548 0.929 1.00 50.34 C ATOM 1371 CD2 PHE A 85 5.768 -19.123 2.721 1.00 65.04 C ATOM 1372 CE1 PHE A 85 5.569 -19.900 0.081 1.00 32.40 C ATOM 1373 CE2 PHE A 85 4.890 -18.475 1.877 1.00 3.53 C ATOM 1374 CZ PHE A 85 4.791 -18.863 0.554 1.00 52.34 C ATOM 0 H PHE A 85 5.809 -21.753 4.872 1.00 23.41 H new ATOM 0 HA PHE A 85 7.020 -22.848 2.445 1.00 41.20 H new ATOM 0 HB2 PHE A 85 7.537 -20.360 4.136 1.00 33.11 H new ATOM 0 HB3 PHE A 85 8.526 -20.793 2.756 1.00 33.11 H new ATOM 0 HD1 PHE A 85 7.048 -21.360 0.553 1.00 50.34 H new ATOM 0 HD2 PHE A 85 5.844 -18.813 3.753 1.00 65.04 H new ATOM 0 HE1 PHE A 85 5.494 -20.204 -0.953 1.00 32.40 H new ATOM 0 HE2 PHE A 85 4.280 -17.665 2.250 1.00 3.53 H new ATOM 0 HZ PHE A 85 4.106 -18.355 -0.109 1.00 52.34 H new ATOM 1458 N TRP A 92 7.125 -25.948 -6.250 1.00 73.31 N ATOM 1459 CA TRP A 92 6.136 -24.869 -6.059 1.00 12.21 C ATOM 1460 C TRP A 92 4.837 -25.380 -5.395 1.00 13.41 C ATOM 1461 O TRP A 92 3.893 -24.616 -5.186 1.00 73.53 O ATOM 1462 CB TRP A 92 5.824 -24.163 -7.394 1.00 50.21 C ATOM 1463 CG TRP A 92 7.006 -23.434 -7.975 1.00 24.22 C ATOM 1464 CD1 TRP A 92 7.931 -23.927 -8.853 1.00 43.21 C ATOM 1465 CD2 TRP A 92 7.396 -22.078 -7.708 1.00 43.02 C ATOM 1466 NE1 TRP A 92 8.866 -22.962 -9.145 1.00 0.42 N ATOM 1467 CE2 TRP A 92 8.559 -21.820 -8.457 1.00 24.13 C ATOM 1468 CE3 TRP A 92 6.872 -21.057 -6.912 1.00 34.01 C ATOM 1469 CZ2 TRP A 92 9.208 -20.587 -8.429 1.00 42.34 C ATOM 1470 CZ3 TRP A 92 7.516 -19.834 -6.884 1.00 62.20 C ATOM 1471 CH2 TRP A 92 8.671 -19.607 -7.640 1.00 73.45 C ATOM 0 HA TRP A 92 6.584 -24.144 -5.380 1.00 12.21 H new ATOM 0 HB2 TRP A 92 5.473 -24.902 -8.114 1.00 50.21 H new ATOM 0 HB3 TRP A 92 5.009 -23.455 -7.241 1.00 50.21 H new ATOM 0 HD1 TRP A 92 7.928 -24.928 -9.258 1.00 43.21 H new ATOM 0 HE1 TRP A 92 9.661 -23.079 -9.774 1.00 0.42 H new ATOM 0 HE3 TRP A 92 5.978 -21.220 -6.328 1.00 34.01 H new ATOM 0 HZ2 TRP A 92 10.102 -20.412 -9.009 1.00 42.34 H new ATOM 0 HZ3 TRP A 92 7.121 -19.040 -6.268 1.00 62.20 H new ATOM 0 HH2 TRP A 92 9.148 -18.639 -7.600 1.00 73.45 H new ATOM 1482 N GLY A 93 4.808 -26.667 -5.034 1.00 11.11 N ATOM 1483 CA GLY A 93 3.645 -27.245 -4.358 1.00 50.54 C ATOM 1484 C GLY A 93 3.300 -26.545 -3.044 1.00 22.03 C ATOM 1485 O GLY A 93 2.155 -26.576 -2.593 1.00 15.14 O ATOM 0 H GLY A 93 5.571 -27.323 -5.198 1.00 11.11 H new ATOM 0 HA2 GLY A 93 2.784 -27.196 -5.025 1.00 50.54 H new ATOM 0 HA3 GLY A 93 3.835 -28.300 -4.161 1.00 50.54 H new ATOM 1489 N ARG A 94 4.296 -25.908 -2.426 1.00 72.53 N ATOM 1490 CA ARG A 94 4.079 -25.137 -1.195 1.00 75.54 C ATOM 1491 C ARG A 94 3.214 -23.894 -1.461 1.00 65.51 C ATOM 1492 O ARG A 94 2.430 -23.481 -0.607 1.00 52.34 O ATOM 1493 CB ARG A 94 5.424 -24.740 -0.576 1.00 31.33 C ATOM 1494 CG ARG A 94 6.295 -25.931 -0.161 1.00 72.34 C ATOM 1495 CD ARG A 94 5.770 -26.646 1.090 1.00 43.05 C ATOM 1496 NE ARG A 94 4.476 -27.310 0.893 1.00 41.45 N ATOM 1497 CZ ARG A 94 3.876 -28.028 1.813 1.00 75.21 C ATOM 1498 NH1 ARG A 94 4.431 -28.225 2.968 1.00 13.11 N ATOM 1499 NH2 ARG A 94 2.717 -28.552 1.574 1.00 61.03 N ATOM 0 H ARG A 94 5.261 -25.909 -2.755 1.00 72.53 H new ATOM 0 HA ARG A 94 3.541 -25.768 -0.488 1.00 75.54 H new ATOM 0 HB2 ARG A 94 5.976 -24.131 -1.292 1.00 31.33 H new ATOM 0 HB3 ARG A 94 5.240 -24.116 0.298 1.00 31.33 H new ATOM 0 HG2 ARG A 94 6.346 -26.642 -0.985 1.00 72.34 H new ATOM 0 HG3 ARG A 94 7.312 -25.584 0.024 1.00 72.34 H new ATOM 0 HD2 ARG A 94 6.503 -27.387 1.408 1.00 43.05 H new ATOM 0 HD3 ARG A 94 5.677 -25.922 1.899 1.00 43.05 H new ATOM 0 HE ARG A 94 4.016 -27.207 -0.012 1.00 41.45 H new ATOM 0 HH11 ARG A 94 5.345 -27.820 3.170 1.00 13.11 H new ATOM 0 HH12 ARG A 94 3.954 -28.785 3.674 1.00 13.11 H new ATOM 0 HH21 ARG A 94 2.269 -28.407 0.669 1.00 61.03 H new ATOM 0 HH22 ARG A 94 2.252 -29.110 2.290 1.00 61.03 H new ATOM 1513 N ILE A 95 3.351 -23.310 -2.653 1.00 35.35 N ATOM 1514 CA ILE A 95 2.485 -22.201 -3.071 1.00 33.31 C ATOM 1515 C ILE A 95 1.033 -22.689 -3.172 1.00 12.34 C ATOM 1516 O ILE A 95 0.106 -22.046 -2.678 1.00 51.15 O ATOM 1517 CB ILE A 95 2.923 -21.622 -4.443 1.00 62.15 C ATOM 1518 CG1 ILE A 95 4.398 -21.185 -4.405 1.00 62.21 C ATOM 1519 CG2 ILE A 95 2.022 -20.455 -4.856 1.00 33.11 C ATOM 1520 CD1 ILE A 95 4.691 -20.063 -3.430 1.00 10.20 C ATOM 0 H ILE A 95 4.049 -23.583 -3.344 1.00 35.35 H new ATOM 0 HA ILE A 95 2.568 -21.413 -2.323 1.00 33.31 H new ATOM 0 HB ILE A 95 2.820 -22.409 -5.190 1.00 62.15 H new ATOM 0 HG12 ILE A 95 5.013 -22.046 -4.145 1.00 62.21 H new ATOM 0 HG13 ILE A 95 4.697 -20.869 -5.405 1.00 62.21 H new ATOM 0 HG21 ILE A 95 2.349 -20.066 -5.820 1.00 33.11 H new ATOM 0 HG22 ILE A 95 0.991 -20.801 -4.935 1.00 33.11 H new ATOM 0 HG23 ILE A 95 2.083 -19.665 -4.107 1.00 33.11 H new ATOM 0 HD11 ILE A 95 5.752 -19.817 -3.467 1.00 10.20 H new ATOM 0 HD12 ILE A 95 4.105 -19.184 -3.700 1.00 10.20 H new ATOM 0 HD13 ILE A 95 4.427 -20.379 -2.421 1.00 10.20 H new ATOM 1532 N VAL A 96 0.855 -23.849 -3.808 1.00 43.42 N ATOM 1533 CA VAL A 96 -0.458 -24.496 -3.901 1.00 3.41 C ATOM 1534 C VAL A 96 -1.039 -24.760 -2.504 1.00 60.42 C ATOM 1535 O VAL A 96 -2.213 -24.505 -2.253 1.00 62.33 O ATOM 1536 CB VAL A 96 -0.372 -25.841 -4.667 1.00 62.32 C ATOM 1537 CG1 VAL A 96 -1.758 -26.463 -4.842 1.00 64.44 C ATOM 1538 CG2 VAL A 96 0.314 -25.654 -6.017 1.00 32.42 C ATOM 0 H VAL A 96 1.607 -24.362 -4.269 1.00 43.42 H new ATOM 0 HA VAL A 96 -1.110 -23.814 -4.447 1.00 3.41 H new ATOM 0 HB VAL A 96 0.231 -26.528 -4.073 1.00 62.32 H new ATOM 0 HG11 VAL A 96 -1.668 -27.405 -5.382 1.00 64.44 H new ATOM 0 HG12 VAL A 96 -2.201 -26.647 -3.863 1.00 64.44 H new ATOM 0 HG13 VAL A 96 -2.394 -25.781 -5.406 1.00 64.44 H new ATOM 0 HG21 VAL A 96 0.363 -26.611 -6.536 1.00 32.42 H new ATOM 0 HG22 VAL A 96 -0.254 -24.944 -6.618 1.00 32.42 H new ATOM 0 HG23 VAL A 96 1.324 -25.273 -5.862 1.00 32.42 H new ATOM 1548 N THR A 97 -0.198 -25.266 -1.599 1.00 1.52 N ATOM 1549 CA THR A 97 -0.613 -25.549 -0.215 1.00 20.23 C ATOM 1550 C THR A 97 -1.062 -24.268 0.505 1.00 45.13 C ATOM 1551 O THR A 97 -2.091 -24.252 1.181 1.00 72.31 O ATOM 1552 CB THR A 97 0.531 -26.206 0.602 1.00 31.33 C ATOM 1553 OG1 THR A 97 1.041 -27.361 -0.088 1.00 11.13 O ATOM 1554 CG2 THR A 97 0.047 -26.624 1.989 1.00 43.04 C ATOM 0 H THR A 97 0.777 -25.490 -1.796 1.00 1.52 H new ATOM 0 HA THR A 97 -1.451 -26.243 -0.278 1.00 20.23 H new ATOM 0 HB THR A 97 1.324 -25.466 0.713 1.00 31.33 H new ATOM 0 HG1 THR A 97 1.478 -27.079 -0.919 1.00 11.13 H new ATOM 0 HG21 THR A 97 0.870 -27.081 2.539 1.00 43.04 H new ATOM 0 HG22 THR A 97 -0.308 -25.747 2.530 1.00 43.04 H new ATOM 0 HG23 THR A 97 -0.767 -27.343 1.889 1.00 43.04 H new ATOM 1562 N LEU A 98 -0.282 -23.198 0.343 1.00 14.01 N ATOM 1563 CA LEU A 98 -0.598 -21.893 0.942 1.00 32.42 C ATOM 1564 C LEU A 98 -1.969 -21.381 0.469 1.00 71.11 C ATOM 1565 O LEU A 98 -2.853 -21.080 1.276 1.00 31.20 O ATOM 1566 CB LEU A 98 0.490 -20.877 0.561 1.00 13.22 C ATOM 1567 CG LEU A 98 0.350 -19.485 1.199 1.00 52.12 C ATOM 1568 CD1 LEU A 98 0.580 -19.559 2.703 1.00 43.33 C ATOM 1569 CD2 LEU A 98 1.310 -18.491 0.551 1.00 55.23 C ATOM 0 H LEU A 98 0.580 -23.207 -0.202 1.00 14.01 H new ATOM 0 HA LEU A 98 -0.634 -22.013 2.025 1.00 32.42 H new ATOM 0 HB2 LEU A 98 1.460 -21.289 0.839 1.00 13.22 H new ATOM 0 HB3 LEU A 98 0.491 -20.762 -0.523 1.00 13.22 H new ATOM 0 HG LEU A 98 -0.667 -19.132 1.026 1.00 52.12 H new ATOM 0 HD11 LEU A 98 0.477 -18.564 3.136 1.00 43.33 H new ATOM 0 HD12 LEU A 98 -0.155 -20.228 3.151 1.00 43.33 H new ATOM 0 HD13 LEU A 98 1.583 -19.938 2.899 1.00 43.33 H new ATOM 0 HD21 LEU A 98 1.192 -17.514 1.019 1.00 55.23 H new ATOM 0 HD22 LEU A 98 2.335 -18.836 0.684 1.00 55.23 H new ATOM 0 HD23 LEU A 98 1.089 -18.413 -0.513 1.00 55.23 H new ATOM 1581 N ILE A 99 -2.139 -21.302 -0.849 1.00 43.50 N ATOM 1582 CA ILE A 99 -3.395 -20.838 -1.444 1.00 74.22 C ATOM 1583 C ILE A 99 -4.550 -21.817 -1.145 1.00 61.42 C ATOM 1584 O ILE A 99 -5.700 -21.406 -0.986 1.00 45.34 O ATOM 1585 CB ILE A 99 -3.243 -20.643 -2.978 1.00 62.23 C ATOM 1586 CG1 ILE A 99 -2.060 -19.701 -3.276 1.00 23.21 C ATOM 1587 CG2 ILE A 99 -4.533 -20.091 -3.585 1.00 53.21 C ATOM 1588 CD1 ILE A 99 -1.806 -19.475 -4.753 1.00 12.34 C ATOM 0 H ILE A 99 -1.422 -21.554 -1.529 1.00 43.50 H new ATOM 0 HA ILE A 99 -3.636 -19.876 -0.992 1.00 74.22 H new ATOM 0 HB ILE A 99 -3.044 -21.613 -3.433 1.00 62.23 H new ATOM 0 HG12 ILE A 99 -2.247 -18.739 -2.799 1.00 23.21 H new ATOM 0 HG13 ILE A 99 -1.158 -20.112 -2.822 1.00 23.21 H new ATOM 0 HG21 ILE A 99 -4.404 -19.962 -4.660 1.00 53.21 H new ATOM 0 HG22 ILE A 99 -5.350 -20.788 -3.399 1.00 53.21 H new ATOM 0 HG23 ILE A 99 -4.766 -19.128 -3.130 1.00 53.21 H new ATOM 0 HD11 ILE A 99 -0.958 -18.801 -4.877 1.00 12.34 H new ATOM 0 HD12 ILE A 99 -1.586 -20.428 -5.234 1.00 12.34 H new ATOM 0 HD13 ILE A 99 -2.691 -19.033 -5.211 1.00 12.34 H new ATOM 1600 N SER A 100 -4.227 -23.110 -1.054 1.00 75.33 N ATOM 1601 CA SER A 100 -5.215 -24.150 -0.709 1.00 30.23 C ATOM 1602 C SER A 100 -5.758 -23.958 0.711 1.00 61.33 C ATOM 1603 O SER A 100 -6.968 -23.994 0.931 1.00 53.53 O ATOM 1604 CB SER A 100 -4.598 -25.553 -0.833 1.00 74.41 C ATOM 1605 OG SER A 100 -5.487 -26.565 -0.379 1.00 65.21 O ATOM 0 H SER A 100 -3.286 -23.468 -1.214 1.00 75.33 H new ATOM 0 HA SER A 100 -6.041 -24.055 -1.414 1.00 30.23 H new ATOM 0 HB2 SER A 100 -4.333 -25.742 -1.873 1.00 74.41 H new ATOM 0 HB3 SER A 100 -3.674 -25.596 -0.256 1.00 74.41 H new ATOM 0 HG SER A 100 -4.984 -27.242 0.120 1.00 65.21 H new ATOM 1611 N PHE A 101 -4.856 -23.761 1.673 1.00 74.33 N ATOM 1612 CA PHE A 101 -5.252 -23.505 3.062 1.00 42.31 C ATOM 1613 C PHE A 101 -6.080 -22.218 3.158 1.00 62.33 C ATOM 1614 O PHE A 101 -7.101 -22.174 3.845 1.00 15.33 O ATOM 1615 CB PHE A 101 -4.010 -23.420 3.967 1.00 43.12 C ATOM 1616 CG PHE A 101 -4.325 -23.228 5.435 1.00 13.43 C ATOM 1617 CD1 PHE A 101 -5.358 -23.932 6.038 1.00 51.00 C ATOM 1618 CD2 PHE A 101 -3.590 -22.340 6.208 1.00 34.10 C ATOM 1619 CE1 PHE A 101 -5.648 -23.756 7.378 1.00 24.03 C ATOM 1620 CE2 PHE A 101 -3.878 -22.159 7.547 1.00 32.35 C ATOM 1621 CZ PHE A 101 -4.907 -22.868 8.133 1.00 12.24 C ATOM 0 H PHE A 101 -3.848 -23.773 1.519 1.00 74.33 H new ATOM 0 HA PHE A 101 -5.871 -24.335 3.403 1.00 42.31 H new ATOM 0 HB2 PHE A 101 -3.425 -24.332 3.849 1.00 43.12 H new ATOM 0 HB3 PHE A 101 -3.384 -22.594 3.630 1.00 43.12 H new ATOM 0 HD1 PHE A 101 -5.943 -24.626 5.453 1.00 51.00 H new ATOM 0 HD2 PHE A 101 -2.782 -21.783 5.757 1.00 34.10 H new ATOM 0 HE1 PHE A 101 -6.453 -24.312 7.834 1.00 24.03 H new ATOM 0 HE2 PHE A 101 -3.298 -21.463 8.135 1.00 32.35 H new ATOM 0 HZ PHE A 101 -5.132 -22.729 9.180 1.00 12.24 H new ATOM 1631 N GLY A 102 -5.642 -21.178 2.450 1.00 73.45 N ATOM 1632 CA GLY A 102 -6.411 -19.941 2.381 1.00 41.40 C ATOM 1633 C GLY A 102 -7.814 -20.156 1.815 1.00 44.55 C ATOM 1634 O GLY A 102 -8.795 -19.637 2.349 1.00 30.21 O ATOM 0 H GLY A 102 -4.769 -21.168 1.923 1.00 73.45 H new ATOM 0 HA2 GLY A 102 -6.487 -19.508 3.378 1.00 41.40 H new ATOM 0 HA3 GLY A 102 -5.879 -19.220 1.761 1.00 41.40 H new ATOM 1638 N ALA A 103 -7.902 -20.934 0.735 1.00 5.14 N ATOM 1639 CA ALA A 103 -9.189 -21.278 0.120 1.00 11.21 C ATOM 1640 C ALA A 103 -10.068 -22.097 1.076 1.00 22.43 C ATOM 1641 O ALA A 103 -11.282 -21.898 1.140 1.00 31.34 O ATOM 1642 CB ALA A 103 -8.969 -22.045 -1.180 1.00 44.25 C ATOM 0 H ALA A 103 -7.094 -21.341 0.265 1.00 5.14 H new ATOM 0 HA ALA A 103 -9.710 -20.346 -0.100 1.00 11.21 H new ATOM 0 HB1 ALA A 103 -9.933 -22.293 -1.624 1.00 44.25 H new ATOM 0 HB2 ALA A 103 -8.398 -21.428 -1.874 1.00 44.25 H new ATOM 0 HB3 ALA A 103 -8.419 -22.963 -0.972 1.00 44.25 H new ATOM 1648 N PHE A 104 -9.447 -23.015 1.817 1.00 53.30 N ATOM 1649 CA PHE A 104 -10.169 -23.841 2.788 1.00 30.13 C ATOM 1650 C PHE A 104 -10.747 -22.990 3.929 1.00 32.12 C ATOM 1651 O PHE A 104 -11.905 -23.159 4.319 1.00 52.13 O ATOM 1652 CB PHE A 104 -9.261 -24.945 3.348 1.00 43.03 C ATOM 1653 CG PHE A 104 -9.915 -25.761 4.437 1.00 41.14 C ATOM 1654 CD1 PHE A 104 -11.217 -26.223 4.293 1.00 60.30 C ATOM 1655 CD2 PHE A 104 -9.234 -26.057 5.607 1.00 24.32 C ATOM 1656 CE1 PHE A 104 -11.821 -26.957 5.292 1.00 74.32 C ATOM 1657 CE2 PHE A 104 -9.836 -26.796 6.608 1.00 53.00 C ATOM 1658 CZ PHE A 104 -11.130 -27.244 6.450 1.00 63.10 C ATOM 0 H PHE A 104 -8.446 -23.206 1.764 1.00 53.30 H new ATOM 0 HA PHE A 104 -11.002 -24.310 2.265 1.00 30.13 H new ATOM 0 HB2 PHE A 104 -8.964 -25.608 2.536 1.00 43.03 H new ATOM 0 HB3 PHE A 104 -8.350 -24.493 3.740 1.00 43.03 H new ATOM 0 HD1 PHE A 104 -11.763 -26.005 3.387 1.00 60.30 H new ATOM 0 HD2 PHE A 104 -8.221 -25.706 5.738 1.00 24.32 H new ATOM 0 HE1 PHE A 104 -12.835 -27.307 5.167 1.00 74.32 H new ATOM 0 HE2 PHE A 104 -9.293 -27.022 7.514 1.00 53.00 H new ATOM 0 HZ PHE A 104 -11.602 -27.819 7.233 1.00 63.10 H new ATOM 1668 N VAL A 105 -9.949 -22.079 4.471 1.00 55.52 N ATOM 1669 CA VAL A 105 -10.451 -21.162 5.492 1.00 44.14 C ATOM 1670 C VAL A 105 -11.535 -20.247 4.892 1.00 71.32 C ATOM 1671 O VAL A 105 -12.545 -19.964 5.534 1.00 74.14 O ATOM 1672 CB VAL A 105 -9.315 -20.308 6.113 1.00 64.43 C ATOM 1673 CG1 VAL A 105 -9.851 -19.428 7.239 1.00 55.11 C ATOM 1674 CG2 VAL A 105 -8.186 -21.200 6.629 1.00 3.32 C ATOM 0 H VAL A 105 -8.966 -21.954 4.227 1.00 55.52 H new ATOM 0 HA VAL A 105 -10.884 -21.763 6.292 1.00 44.14 H new ATOM 0 HB VAL A 105 -8.915 -19.662 5.331 1.00 64.43 H new ATOM 0 HG11 VAL A 105 -9.036 -18.838 7.659 1.00 55.11 H new ATOM 0 HG12 VAL A 105 -10.617 -18.760 6.845 1.00 55.11 H new ATOM 0 HG13 VAL A 105 -10.283 -20.057 8.018 1.00 55.11 H new ATOM 0 HG21 VAL A 105 -7.400 -20.580 7.060 1.00 3.32 H new ATOM 0 HG22 VAL A 105 -8.575 -21.875 7.391 1.00 3.32 H new ATOM 0 HG23 VAL A 105 -7.776 -21.783 5.804 1.00 3.32 H new ATOM 1684 N ALA A 106 -11.330 -19.832 3.638 1.00 13.14 N ATOM 1685 CA ALA A 106 -12.283 -18.973 2.921 1.00 40.25 C ATOM 1686 C ALA A 106 -13.663 -19.640 2.755 1.00 15.30 C ATOM 1687 O ALA A 106 -14.693 -19.039 3.072 1.00 61.22 O ATOM 1688 CB ALA A 106 -11.716 -18.589 1.559 1.00 74.34 C ATOM 0 H ALA A 106 -10.504 -20.079 3.092 1.00 13.14 H new ATOM 0 HA ALA A 106 -12.430 -18.076 3.523 1.00 40.25 H new ATOM 0 HB1 ALA A 106 -12.429 -17.953 1.035 1.00 74.34 H new ATOM 0 HB2 ALA A 106 -10.779 -18.049 1.694 1.00 74.34 H new ATOM 0 HB3 ALA A 106 -11.535 -19.490 0.973 1.00 74.34 H new ATOM 1694 N LYS A 107 -13.688 -20.879 2.254 1.00 61.12 N ATOM 1695 CA LYS A 107 -14.951 -21.616 2.094 1.00 52.04 C ATOM 1696 C LYS A 107 -15.650 -21.813 3.450 1.00 73.10 C ATOM 1697 O LYS A 107 -16.879 -21.752 3.542 1.00 21.55 O ATOM 1698 CB LYS A 107 -14.717 -22.965 1.381 1.00 21.25 C ATOM 1699 CG LYS A 107 -13.710 -23.878 2.072 1.00 61.32 C ATOM 1700 CD LYS A 107 -13.287 -25.051 1.184 1.00 34.01 C ATOM 1701 CE LYS A 107 -14.415 -26.050 0.950 1.00 10.50 C ATOM 1702 NZ LYS A 107 -14.761 -26.804 2.186 1.00 3.22 N ATOM 0 H LYS A 107 -12.858 -21.391 1.954 1.00 61.12 H new ATOM 0 HA LYS A 107 -15.612 -21.020 1.465 1.00 52.04 H new ATOM 0 HB2 LYS A 107 -15.669 -23.490 1.301 1.00 21.25 H new ATOM 0 HB3 LYS A 107 -14.374 -22.770 0.365 1.00 21.25 H new ATOM 0 HG2 LYS A 107 -12.829 -23.299 2.350 1.00 61.32 H new ATOM 0 HG3 LYS A 107 -14.144 -24.262 2.995 1.00 61.32 H new ATOM 0 HD2 LYS A 107 -12.942 -24.668 0.224 1.00 34.01 H new ATOM 0 HD3 LYS A 107 -12.443 -25.564 1.645 1.00 34.01 H new ATOM 0 HE2 LYS A 107 -15.297 -25.522 0.589 1.00 10.50 H new ATOM 0 HE3 LYS A 107 -14.122 -26.751 0.169 1.00 10.50 H new ATOM 0 HZ1 LYS A 107 -15.587 -27.410 2.004 1.00 3.22 H new ATOM 0 HZ2 LYS A 107 -13.954 -27.395 2.469 1.00 3.22 H new ATOM 0 HZ3 LYS A 107 -14.985 -26.135 2.950 1.00 3.22 H new ATOM 1716 N HIS A 108 -14.861 -22.017 4.510 1.00 53.23 N ATOM 1717 CA HIS A 108 -15.409 -22.082 5.870 1.00 34.32 C ATOM 1718 C HIS A 108 -15.940 -20.705 6.307 1.00 22.02 C ATOM 1719 O HIS A 108 -16.940 -20.613 7.020 1.00 13.22 O ATOM 1720 CB HIS A 108 -14.352 -22.586 6.867 1.00 54.31 C ATOM 1721 CG HIS A 108 -14.871 -22.715 8.270 1.00 24.12 C ATOM 1722 ND1 HIS A 108 -15.821 -23.642 8.639 1.00 20.11 N ATOM 1723 CD2 HIS A 108 -14.580 -22.015 9.395 1.00 21.34 C ATOM 1724 CE1 HIS A 108 -16.095 -23.506 9.920 1.00 70.52 C ATOM 1725 NE2 HIS A 108 -15.357 -22.530 10.401 1.00 52.44 N ATOM 0 H HIS A 108 -13.850 -22.139 4.455 1.00 53.23 H new ATOM 0 HA HIS A 108 -16.238 -22.790 5.864 1.00 34.32 H new ATOM 0 HB2 HIS A 108 -13.982 -23.555 6.534 1.00 54.31 H new ATOM 0 HB3 HIS A 108 -13.503 -21.902 6.863 1.00 54.31 H new ATOM 0 HD2 HIS A 108 -13.871 -21.205 9.482 1.00 21.34 H new ATOM 0 HE1 HIS A 108 -16.805 -24.096 10.480 1.00 70.52 H new ATOM 0 HE2 HIS A 108 -15.362 -22.207 11.369 1.00 52.44 H new ATOM 1734 N LEU A 109 -15.265 -19.638 5.874 1.00 45.41 N ATOM 1735 CA LEU A 109 -15.718 -18.271 6.153 1.00 13.52 C ATOM 1736 C LEU A 109 -17.105 -18.017 5.552 1.00 44.45 C ATOM 1737 O LEU A 109 -18.003 -17.534 6.237 1.00 72.14 O ATOM 1738 CB LEU A 109 -14.719 -17.235 5.610 1.00 53.51 C ATOM 1739 CG LEU A 109 -13.368 -17.170 6.340 1.00 0.21 C ATOM 1740 CD1 LEU A 109 -12.423 -16.191 5.651 1.00 73.12 C ATOM 1741 CD2 LEU A 109 -13.559 -16.792 7.807 1.00 50.24 C ATOM 0 H LEU A 109 -14.404 -19.693 5.330 1.00 45.41 H new ATOM 0 HA LEU A 109 -15.780 -18.164 7.236 1.00 13.52 H new ATOM 0 HB2 LEU A 109 -14.533 -17.452 4.558 1.00 53.51 H new ATOM 0 HB3 LEU A 109 -15.184 -16.250 5.655 1.00 53.51 H new ATOM 0 HG LEU A 109 -12.918 -18.162 6.300 1.00 0.21 H new ATOM 0 HD11 LEU A 109 -11.474 -16.163 6.187 1.00 73.12 H new ATOM 0 HD12 LEU A 109 -12.251 -16.513 4.624 1.00 73.12 H new ATOM 0 HD13 LEU A 109 -12.868 -15.196 5.649 1.00 73.12 H new ATOM 0 HD21 LEU A 109 -12.589 -16.753 8.302 1.00 50.24 H new ATOM 0 HD22 LEU A 109 -14.039 -15.816 7.872 1.00 50.24 H new ATOM 0 HD23 LEU A 109 -14.186 -17.538 8.296 1.00 50.24 H new ATOM 1753 N LYS A 110 -17.287 -18.353 4.275 1.00 71.43 N ATOM 1754 CA LYS A 110 -18.593 -18.182 3.630 1.00 65.03 C ATOM 1755 C LYS A 110 -19.658 -19.059 4.306 1.00 4.22 C ATOM 1756 O LYS A 110 -20.805 -18.642 4.473 1.00 50.14 O ATOM 1757 CB LYS A 110 -18.530 -18.507 2.132 1.00 65.12 C ATOM 1758 CG LYS A 110 -19.816 -18.128 1.402 1.00 64.53 C ATOM 1759 CD LYS A 110 -19.838 -18.592 -0.049 1.00 40.01 C ATOM 1760 CE LYS A 110 -21.089 -18.093 -0.769 1.00 40.20 C ATOM 1761 NZ LYS A 110 -22.331 -18.387 -0.001 1.00 23.30 N ATOM 0 H LYS A 110 -16.560 -18.740 3.673 1.00 71.43 H new ATOM 0 HA LYS A 110 -18.871 -17.134 3.743 1.00 65.03 H new ATOM 0 HB2 LYS A 110 -17.690 -17.977 1.683 1.00 65.12 H new ATOM 0 HB3 LYS A 110 -18.341 -19.573 2.001 1.00 65.12 H new ATOM 0 HG2 LYS A 110 -20.667 -18.561 1.929 1.00 64.53 H new ATOM 0 HG3 LYS A 110 -19.939 -17.045 1.433 1.00 64.53 H new ATOM 0 HD2 LYS A 110 -18.949 -18.227 -0.564 1.00 40.01 H new ATOM 0 HD3 LYS A 110 -19.804 -19.681 -0.086 1.00 40.01 H new ATOM 0 HE2 LYS A 110 -21.009 -17.018 -0.931 1.00 40.20 H new ATOM 0 HE3 LYS A 110 -21.152 -18.560 -1.752 1.00 40.20 H new ATOM 0 HZ1 LYS A 110 -23.160 -18.237 -0.611 1.00 23.30 H new ATOM 0 HZ2 LYS A 110 -22.314 -19.375 0.322 1.00 23.30 H new ATOM 0 HZ3 LYS A 110 -22.388 -17.755 0.823 1.00 23.30 H new ATOM 1775 N THR A 111 -19.264 -20.271 4.701 1.00 61.40 N ATOM 1776 CA THR A 111 -20.156 -21.177 5.443 1.00 52.54 C ATOM 1777 C THR A 111 -20.735 -20.485 6.691 1.00 54.12 C ATOM 1778 O THR A 111 -21.906 -20.662 7.032 1.00 4.50 O ATOM 1779 CB THR A 111 -19.418 -22.474 5.874 1.00 73.02 C ATOM 1780 OG1 THR A 111 -18.957 -23.196 4.719 1.00 4.25 O ATOM 1781 CG2 THR A 111 -20.320 -23.381 6.705 1.00 23.02 C ATOM 0 H THR A 111 -18.335 -20.652 4.522 1.00 61.40 H new ATOM 0 HA THR A 111 -20.970 -21.442 4.769 1.00 52.54 H new ATOM 0 HB THR A 111 -18.567 -22.175 6.486 1.00 73.02 H new ATOM 0 HG1 THR A 111 -18.227 -22.700 4.293 1.00 4.25 H new ATOM 0 HG21 THR A 111 -19.771 -24.279 6.989 1.00 23.02 H new ATOM 0 HG22 THR A 111 -20.640 -22.852 7.603 1.00 23.02 H new ATOM 0 HG23 THR A 111 -21.195 -23.661 6.118 1.00 23.02 H new ATOM 1789 N ILE A 112 -19.908 -19.677 7.358 1.00 23.33 N ATOM 1790 CA ILE A 112 -20.339 -18.918 8.542 1.00 1.42 C ATOM 1791 C ILE A 112 -20.577 -17.427 8.216 1.00 3.05 C ATOM 1792 O ILE A 112 -20.606 -16.583 9.113 1.00 20.33 O ATOM 1793 CB ILE A 112 -19.301 -19.039 9.689 1.00 72.41 C ATOM 1794 CG1 ILE A 112 -17.927 -18.516 9.234 1.00 51.43 C ATOM 1795 CG2 ILE A 112 -19.199 -20.487 10.170 1.00 34.35 C ATOM 1796 CD1 ILE A 112 -16.854 -18.572 10.303 1.00 54.35 C ATOM 0 H ILE A 112 -18.932 -19.529 7.100 1.00 23.33 H new ATOM 0 HA ILE A 112 -21.285 -19.353 8.866 1.00 1.42 H new ATOM 0 HB ILE A 112 -19.638 -18.425 10.524 1.00 72.41 H new ATOM 0 HG12 ILE A 112 -17.597 -19.097 8.373 1.00 51.43 H new ATOM 0 HG13 ILE A 112 -18.036 -17.485 8.899 1.00 51.43 H new ATOM 0 HG21 ILE A 112 -18.466 -20.552 10.974 1.00 34.35 H new ATOM 0 HG22 ILE A 112 -20.171 -20.818 10.536 1.00 34.35 H new ATOM 0 HG23 ILE A 112 -18.887 -21.124 9.342 1.00 34.35 H new ATOM 0 HD11 ILE A 112 -15.918 -18.185 9.900 1.00 54.35 H new ATOM 0 HD12 ILE A 112 -17.159 -17.967 11.157 1.00 54.35 H new ATOM 0 HD13 ILE A 112 -16.712 -19.604 10.623 1.00 54.35 H new ATOM 1808 N ASN A 113 -20.764 -17.121 6.927 1.00 3.44 N ATOM 1809 CA ASN A 113 -21.068 -15.755 6.460 1.00 34.44 C ATOM 1810 C ASN A 113 -19.993 -14.734 6.889 1.00 32.53 C ATOM 1811 O ASN A 113 -20.279 -13.755 7.582 1.00 51.11 O ATOM 1812 CB ASN A 113 -22.457 -15.323 6.956 1.00 24.22 C ATOM 1813 CG ASN A 113 -23.539 -16.295 6.522 1.00 13.14 C ATOM 1814 OD1 ASN A 113 -24.129 -16.156 5.455 1.00 70.24 O ATOM 1815 ND2 ASN A 113 -23.811 -17.284 7.347 1.00 0.14 N ATOM 0 H ASN A 113 -20.710 -17.809 6.176 1.00 3.44 H new ATOM 0 HA ASN A 113 -21.067 -15.775 5.370 1.00 34.44 H new ATOM 0 HB2 ASN A 113 -22.448 -15.251 8.044 1.00 24.22 H new ATOM 0 HB3 ASN A 113 -22.687 -14.329 6.573 1.00 24.22 H new ATOM 0 HD21 ASN A 113 -24.532 -17.965 7.107 1.00 0.14 H new ATOM 0 HD22 ASN A 113 -23.301 -17.370 8.226 1.00 0.14 H new ATOM 1822 N GLN A 114 -18.755 -14.978 6.462 1.00 63.53 N ATOM 1823 CA GLN A 114 -17.612 -14.106 6.779 1.00 42.33 C ATOM 1824 C GLN A 114 -16.805 -13.770 5.509 1.00 74.21 C ATOM 1825 O GLN A 114 -15.587 -13.596 5.564 1.00 64.24 O ATOM 1826 CB GLN A 114 -16.698 -14.805 7.802 1.00 22.21 C ATOM 1827 CG GLN A 114 -17.333 -15.040 9.174 1.00 42.14 C ATOM 1828 CD GLN A 114 -17.372 -13.791 10.039 1.00 63.33 C ATOM 1829 OE1 GLN A 114 -18.326 -13.022 10.009 1.00 15.41 O ATOM 1830 NE2 GLN A 114 -16.335 -13.583 10.824 1.00 43.33 N ATOM 0 H GLN A 114 -18.510 -15.784 5.887 1.00 63.53 H new ATOM 0 HA GLN A 114 -17.994 -13.176 7.200 1.00 42.33 H new ATOM 0 HB2 GLN A 114 -16.386 -15.766 7.392 1.00 22.21 H new ATOM 0 HB3 GLN A 114 -15.797 -14.206 7.932 1.00 22.21 H new ATOM 0 HG2 GLN A 114 -18.349 -15.411 9.038 1.00 42.14 H new ATOM 0 HG3 GLN A 114 -16.776 -15.818 9.696 1.00 42.14 H new ATOM 0 HE21 GLN A 114 -15.556 -14.242 10.826 1.00 43.33 H new ATOM 0 HE22 GLN A 114 -16.311 -12.763 11.430 1.00 43.33 H new ATOM 1839 N GLU A 115 -17.493 -13.648 4.372 1.00 13.14 N ATOM 1840 CA GLU A 115 -16.829 -13.403 3.078 1.00 74.31 C ATOM 1841 C GLU A 115 -15.956 -12.135 3.094 1.00 71.41 C ATOM 1842 O GLU A 115 -14.915 -12.082 2.436 1.00 60.23 O ATOM 1843 CB GLU A 115 -17.863 -13.313 1.946 1.00 54.43 C ATOM 1844 CG GLU A 115 -18.533 -14.645 1.617 1.00 54.31 C ATOM 1845 CD GLU A 115 -19.534 -14.538 0.476 1.00 51.14 C ATOM 1846 OE1 GLU A 115 -19.108 -14.516 -0.698 1.00 44.23 O ATOM 1847 OE2 GLU A 115 -20.752 -14.471 0.752 1.00 53.12 O ATOM 0 H GLU A 115 -18.509 -13.714 4.315 1.00 13.14 H new ATOM 0 HA GLU A 115 -16.169 -14.252 2.899 1.00 74.31 H new ATOM 0 HB2 GLU A 115 -18.630 -12.590 2.223 1.00 54.43 H new ATOM 0 HB3 GLU A 115 -17.374 -12.931 1.050 1.00 54.43 H new ATOM 0 HG2 GLU A 115 -17.768 -15.376 1.355 1.00 54.31 H new ATOM 0 HG3 GLU A 115 -19.041 -15.020 2.506 1.00 54.31 H new ATOM 1854 N SER A 116 -16.374 -11.123 3.853 1.00 20.01 N ATOM 1855 CA SER A 116 -15.588 -9.885 4.009 1.00 3.31 C ATOM 1856 C SER A 116 -14.159 -10.179 4.495 1.00 61.30 C ATOM 1857 O SER A 116 -13.233 -9.414 4.228 1.00 74.51 O ATOM 1858 CB SER A 116 -16.283 -8.927 4.988 1.00 2.25 C ATOM 1859 OG SER A 116 -17.577 -8.575 4.526 1.00 73.24 O ATOM 0 H SER A 116 -17.252 -11.129 4.372 1.00 20.01 H new ATOM 0 HA SER A 116 -15.523 -9.414 3.028 1.00 3.31 H new ATOM 0 HB2 SER A 116 -16.359 -9.396 5.969 1.00 2.25 H new ATOM 0 HB3 SER A 116 -15.680 -8.027 5.111 1.00 2.25 H new ATOM 0 HG SER A 116 -17.999 -7.966 5.168 1.00 73.24 H new ATOM 1865 N SER A 117 -13.993 -11.290 5.214 1.00 31.21 N ATOM 1866 CA SER A 117 -12.677 -11.714 5.720 1.00 42.40 C ATOM 1867 C SER A 117 -11.831 -12.394 4.629 1.00 14.41 C ATOM 1868 O SER A 117 -10.602 -12.378 4.691 1.00 4.11 O ATOM 1869 CB SER A 117 -12.837 -12.668 6.914 1.00 40.11 C ATOM 1870 OG SER A 117 -11.578 -13.045 7.454 1.00 21.31 O ATOM 0 H SER A 117 -14.756 -11.919 5.463 1.00 31.21 H new ATOM 0 HA SER A 117 -12.155 -10.812 6.041 1.00 42.40 H new ATOM 0 HB2 SER A 117 -13.436 -12.187 7.687 1.00 40.11 H new ATOM 0 HB3 SER A 117 -13.380 -13.559 6.599 1.00 40.11 H new ATOM 0 HG SER A 117 -11.673 -13.219 8.414 1.00 21.31 H new ATOM 1876 N ILE A 118 -12.490 -13.004 3.643 1.00 64.11 N ATOM 1877 CA ILE A 118 -11.797 -13.753 2.577 1.00 22.43 C ATOM 1878 C ILE A 118 -10.763 -12.894 1.817 1.00 65.03 C ATOM 1879 O ILE A 118 -9.639 -13.335 1.571 1.00 20.50 O ATOM 1880 CB ILE A 118 -12.807 -14.346 1.557 1.00 24.15 C ATOM 1881 CG1 ILE A 118 -13.747 -15.348 2.252 1.00 44.42 C ATOM 1882 CG2 ILE A 118 -12.078 -15.007 0.381 1.00 64.05 C ATOM 1883 CD1 ILE A 118 -14.774 -15.975 1.328 1.00 44.34 C ATOM 0 H ILE A 118 -13.506 -12.998 3.555 1.00 64.11 H new ATOM 0 HA ILE A 118 -11.265 -14.559 3.081 1.00 22.43 H new ATOM 0 HB ILE A 118 -13.408 -13.529 1.159 1.00 24.15 H new ATOM 0 HG12 ILE A 118 -13.148 -16.139 2.703 1.00 44.42 H new ATOM 0 HG13 ILE A 118 -14.267 -14.840 3.064 1.00 44.42 H new ATOM 0 HG21 ILE A 118 -12.809 -15.414 -0.318 1.00 64.05 H new ATOM 0 HG22 ILE A 118 -11.462 -14.266 -0.128 1.00 64.05 H new ATOM 0 HG23 ILE A 118 -11.444 -15.812 0.752 1.00 64.05 H new ATOM 0 HD11 ILE A 118 -15.397 -16.668 1.893 1.00 44.34 H new ATOM 0 HD12 ILE A 118 -15.400 -15.194 0.896 1.00 44.34 H new ATOM 0 HD13 ILE A 118 -14.264 -16.514 0.530 1.00 44.34 H new ATOM 1895 N GLU A 119 -11.142 -11.668 1.452 1.00 2.24 N ATOM 1896 CA GLU A 119 -10.265 -10.793 0.653 1.00 0.41 C ATOM 1897 C GLU A 119 -8.973 -10.392 1.407 1.00 2.31 C ATOM 1898 O GLU A 119 -7.875 -10.593 0.883 1.00 24.21 O ATOM 1899 CB GLU A 119 -11.039 -9.560 0.162 1.00 15.42 C ATOM 1900 CG GLU A 119 -12.096 -9.898 -0.885 1.00 65.42 C ATOM 1901 CD GLU A 119 -12.954 -8.706 -1.277 1.00 11.22 C ATOM 1902 OE1 GLU A 119 -12.403 -7.705 -1.780 1.00 13.32 O ATOM 1903 OE2 GLU A 119 -14.186 -8.769 -1.080 1.00 31.55 O ATOM 0 H GLU A 119 -12.043 -11.255 1.692 1.00 2.24 H new ATOM 0 HA GLU A 119 -9.941 -11.366 -0.216 1.00 0.41 H new ATOM 0 HB2 GLU A 119 -11.520 -9.077 1.013 1.00 15.42 H new ATOM 0 HB3 GLU A 119 -10.336 -8.840 -0.258 1.00 15.42 H new ATOM 0 HG2 GLU A 119 -11.604 -10.291 -1.775 1.00 65.42 H new ATOM 0 HG3 GLU A 119 -12.739 -10.689 -0.500 1.00 65.42 H new ATOM 1910 N PRO A 120 -9.058 -9.834 2.642 1.00 61.51 N ATOM 1911 CA PRO A 120 -7.853 -9.553 3.449 1.00 1.14 C ATOM 1912 C PRO A 120 -7.059 -10.834 3.777 1.00 30.25 C ATOM 1913 O PRO A 120 -5.840 -10.795 3.978 1.00 10.15 O ATOM 1914 CB PRO A 120 -8.404 -8.901 4.730 1.00 51.44 C ATOM 1915 CG PRO A 120 -9.848 -9.276 4.770 1.00 40.51 C ATOM 1916 CD PRO A 120 -10.289 -9.410 3.336 1.00 4.23 C ATOM 0 HA PRO A 120 -7.149 -8.914 2.916 1.00 1.14 H new ATOM 0 HB2 PRO A 120 -7.878 -9.263 5.614 1.00 51.44 H new ATOM 0 HB3 PRO A 120 -8.279 -7.818 4.706 1.00 51.44 H new ATOM 0 HG2 PRO A 120 -9.992 -10.212 5.310 1.00 40.51 H new ATOM 0 HG3 PRO A 120 -10.433 -8.516 5.287 1.00 40.51 H new ATOM 0 HD2 PRO A 120 -11.086 -10.145 3.227 1.00 4.23 H new ATOM 0 HD3 PRO A 120 -10.669 -8.467 2.942 1.00 4.23 H new ATOM 1924 N LEU A 121 -7.757 -11.971 3.827 1.00 42.44 N ATOM 1925 CA LEU A 121 -7.101 -13.273 3.990 1.00 61.33 C ATOM 1926 C LEU A 121 -6.253 -13.576 2.744 1.00 64.43 C ATOM 1927 O LEU A 121 -5.103 -14.007 2.845 1.00 74.43 O ATOM 1928 CB LEU A 121 -8.158 -14.371 4.235 1.00 13.24 C ATOM 1929 CG LEU A 121 -7.642 -15.704 4.823 1.00 72.34 C ATOM 1930 CD1 LEU A 121 -8.805 -16.540 5.343 1.00 70.45 C ATOM 1931 CD2 LEU A 121 -6.846 -16.510 3.795 1.00 41.21 C ATOM 0 H LEU A 121 -8.774 -12.018 3.757 1.00 42.44 H new ATOM 0 HA LEU A 121 -6.441 -13.249 4.857 1.00 61.33 H new ATOM 0 HB2 LEU A 121 -8.916 -13.971 4.909 1.00 13.24 H new ATOM 0 HB3 LEU A 121 -8.654 -14.585 3.288 1.00 13.24 H new ATOM 0 HG LEU A 121 -6.973 -15.457 5.648 1.00 72.34 H new ATOM 0 HD11 LEU A 121 -8.425 -17.476 5.754 1.00 70.45 H new ATOM 0 HD12 LEU A 121 -9.330 -15.988 6.122 1.00 70.45 H new ATOM 0 HD13 LEU A 121 -9.493 -16.755 4.525 1.00 70.45 H new ATOM 0 HD21 LEU A 121 -6.502 -17.439 4.249 1.00 41.21 H new ATOM 0 HD22 LEU A 121 -7.482 -16.738 2.940 1.00 41.21 H new ATOM 0 HD23 LEU A 121 -5.986 -15.928 3.463 1.00 41.21 H new ATOM 1943 N ALA A 122 -6.827 -13.323 1.567 1.00 12.43 N ATOM 1944 CA ALA A 122 -6.096 -13.445 0.302 1.00 42.10 C ATOM 1945 C ALA A 122 -4.888 -12.496 0.275 1.00 60.51 C ATOM 1946 O ALA A 122 -3.820 -12.838 -0.244 1.00 42.02 O ATOM 1947 CB ALA A 122 -7.027 -13.164 -0.872 1.00 24.42 C ATOM 0 H ALA A 122 -7.799 -13.031 1.462 1.00 12.43 H new ATOM 0 HA ALA A 122 -5.723 -14.466 0.215 1.00 42.10 H new ATOM 0 HB1 ALA A 122 -6.473 -13.258 -1.806 1.00 24.42 H new ATOM 0 HB2 ALA A 122 -7.849 -13.880 -0.864 1.00 24.42 H new ATOM 0 HB3 ALA A 122 -7.426 -12.153 -0.786 1.00 24.42 H new ATOM 1953 N GLU A 123 -5.066 -11.298 0.838 1.00 22.15 N ATOM 1954 CA GLU A 123 -3.956 -10.357 1.011 1.00 64.45 C ATOM 1955 C GLU A 123 -2.879 -10.949 1.924 1.00 14.13 C ATOM 1956 O GLU A 123 -1.696 -10.789 1.667 1.00 25.15 O ATOM 1957 CB GLU A 123 -4.439 -9.016 1.588 1.00 53.41 C ATOM 1958 CG GLU A 123 -5.294 -8.191 0.632 1.00 22.13 C ATOM 1959 CD GLU A 123 -5.533 -6.776 1.141 1.00 43.52 C ATOM 1960 OE1 GLU A 123 -4.656 -5.907 0.925 1.00 63.24 O ATOM 1961 OE2 GLU A 123 -6.584 -6.531 1.769 1.00 52.23 O ATOM 0 H GLU A 123 -5.964 -10.958 1.181 1.00 22.15 H new ATOM 0 HA GLU A 123 -3.530 -10.176 0.024 1.00 64.45 H new ATOM 0 HB2 GLU A 123 -5.013 -9.210 2.494 1.00 53.41 H new ATOM 0 HB3 GLU A 123 -3.570 -8.426 1.881 1.00 53.41 H new ATOM 0 HG2 GLU A 123 -4.806 -8.146 -0.341 1.00 22.13 H new ATOM 0 HG3 GLU A 123 -6.253 -8.688 0.485 1.00 22.13 H new ATOM 1968 N SER A 124 -3.300 -11.641 2.986 1.00 73.20 N ATOM 1969 CA SER A 124 -2.359 -12.297 3.911 1.00 42.23 C ATOM 1970 C SER A 124 -1.547 -13.387 3.198 1.00 55.12 C ATOM 1971 O SER A 124 -0.330 -13.479 3.367 1.00 65.13 O ATOM 1972 CB SER A 124 -3.102 -12.910 5.107 1.00 55.24 C ATOM 1973 OG SER A 124 -3.791 -11.920 5.855 1.00 60.50 O ATOM 0 H SER A 124 -4.283 -11.764 3.230 1.00 73.20 H new ATOM 0 HA SER A 124 -1.674 -11.530 4.273 1.00 42.23 H new ATOM 0 HB2 SER A 124 -3.811 -13.658 4.752 1.00 55.24 H new ATOM 0 HB3 SER A 124 -2.391 -13.426 5.752 1.00 55.24 H new ATOM 0 HG SER A 124 -4.481 -11.507 5.294 1.00 60.50 H new ATOM 1979 N ILE A 125 -2.234 -14.213 2.405 1.00 3.50 N ATOM 1980 CA ILE A 125 -1.574 -15.227 1.571 1.00 70.45 C ATOM 1981 C ILE A 125 -0.492 -14.584 0.690 1.00 41.34 C ATOM 1982 O ILE A 125 0.666 -15.009 0.678 1.00 24.33 O ATOM 1983 CB ILE A 125 -2.599 -15.946 0.651 1.00 31.33 C ATOM 1984 CG1 ILE A 125 -3.695 -16.628 1.481 1.00 11.12 C ATOM 1985 CG2 ILE A 125 -1.906 -16.964 -0.257 1.00 74.35 C ATOM 1986 CD1 ILE A 125 -3.188 -17.748 2.363 1.00 32.42 C ATOM 0 H ILE A 125 -3.250 -14.201 2.321 1.00 3.50 H new ATOM 0 HA ILE A 125 -1.119 -15.954 2.244 1.00 70.45 H new ATOM 0 HB ILE A 125 -3.065 -15.189 0.020 1.00 31.33 H new ATOM 0 HG12 ILE A 125 -4.183 -15.880 2.105 1.00 11.12 H new ATOM 0 HG13 ILE A 125 -4.454 -17.025 0.807 1.00 11.12 H new ATOM 0 HG21 ILE A 125 -2.648 -17.452 -0.890 1.00 74.35 H new ATOM 0 HG22 ILE A 125 -1.174 -16.454 -0.883 1.00 74.35 H new ATOM 0 HG23 ILE A 125 -1.402 -17.713 0.354 1.00 74.35 H new ATOM 0 HD11 ILE A 125 -4.021 -18.180 2.918 1.00 32.42 H new ATOM 0 HD12 ILE A 125 -2.726 -18.518 1.744 1.00 32.42 H new ATOM 0 HD13 ILE A 125 -2.451 -17.355 3.063 1.00 32.42 H new ATOM 1998 N THR A 126 -0.895 -13.543 -0.034 1.00 4.01 N ATOM 1999 CA THR A 126 0.006 -12.806 -0.928 1.00 13.22 C ATOM 2000 C THR A 126 1.072 -12.027 -0.140 1.00 21.12 C ATOM 2001 O THR A 126 2.203 -11.875 -0.598 1.00 51.24 O ATOM 2002 CB THR A 126 -0.783 -11.805 -1.816 1.00 50.33 C ATOM 2003 OG1 THR A 126 -1.875 -12.467 -2.472 1.00 61.44 O ATOM 2004 CG2 THR A 126 0.120 -11.168 -2.869 1.00 31.32 C ATOM 0 H THR A 126 -1.850 -13.185 -0.021 1.00 4.01 H new ATOM 0 HA THR A 126 0.496 -13.549 -1.557 1.00 13.22 H new ATOM 0 HB THR A 126 -1.168 -11.023 -1.162 1.00 50.33 H new ATOM 0 HG1 THR A 126 -2.587 -12.645 -1.823 1.00 61.44 H new ATOM 0 HG21 THR A 126 -0.461 -10.473 -3.474 1.00 31.32 H new ATOM 0 HG22 THR A 126 0.930 -10.630 -2.376 1.00 31.32 H new ATOM 0 HG23 THR A 126 0.537 -11.945 -3.509 1.00 31.32 H new ATOM 2012 N ASP A 127 0.705 -11.540 1.046 1.00 52.33 N ATOM 2013 CA ASP A 127 1.605 -10.715 1.859 1.00 11.32 C ATOM 2014 C ASP A 127 2.826 -11.515 2.322 1.00 75.42 C ATOM 2015 O ASP A 127 3.959 -11.087 2.118 1.00 64.11 O ATOM 2016 CB ASP A 127 0.863 -10.137 3.073 1.00 44.10 C ATOM 2017 CG ASP A 127 1.719 -9.158 3.858 1.00 21.13 C ATOM 2018 OD1 ASP A 127 1.949 -8.033 3.360 1.00 5.41 O ATOM 2019 OD2 ASP A 127 2.182 -9.508 4.962 1.00 40.15 O ATOM 0 H ASP A 127 -0.210 -11.702 1.467 1.00 52.33 H new ATOM 0 HA ASP A 127 1.953 -9.893 1.234 1.00 11.32 H new ATOM 0 HB2 ASP A 127 -0.044 -9.635 2.737 1.00 44.10 H new ATOM 0 HB3 ASP A 127 0.552 -10.951 3.728 1.00 44.10 H new ATOM 2024 N VAL A 128 2.594 -12.679 2.928 1.00 63.40 N ATOM 2025 CA VAL A 128 3.692 -13.564 3.340 1.00 2.05 C ATOM 2026 C VAL A 128 4.533 -13.982 2.124 1.00 0.21 C ATOM 2027 O VAL A 128 5.766 -14.008 2.176 1.00 54.32 O ATOM 2028 CB VAL A 128 3.158 -14.831 4.055 1.00 13.41 C ATOM 2029 CG1 VAL A 128 4.303 -15.762 4.456 1.00 24.33 C ATOM 2030 CG2 VAL A 128 2.312 -14.449 5.271 1.00 34.11 C ATOM 0 H VAL A 128 1.662 -13.033 3.145 1.00 63.40 H new ATOM 0 HA VAL A 128 4.315 -13.006 4.039 1.00 2.05 H new ATOM 0 HB VAL A 128 2.522 -15.371 3.354 1.00 13.41 H new ATOM 0 HG11 VAL A 128 3.898 -16.642 4.955 1.00 24.33 H new ATOM 0 HG12 VAL A 128 4.851 -16.070 3.565 1.00 24.33 H new ATOM 0 HG13 VAL A 128 4.977 -15.238 5.134 1.00 24.33 H new ATOM 0 HG21 VAL A 128 1.947 -15.353 5.759 1.00 34.11 H new ATOM 0 HG22 VAL A 128 2.920 -13.879 5.973 1.00 34.11 H new ATOM 0 HG23 VAL A 128 1.465 -13.843 4.949 1.00 34.11 H new ATOM 2040 N LEU A 129 3.844 -14.292 1.031 1.00 43.25 N ATOM 2041 CA LEU A 129 4.486 -14.649 -0.237 1.00 2.52 C ATOM 2042 C LEU A 129 5.455 -13.546 -0.714 1.00 55.00 C ATOM 2043 O LEU A 129 6.637 -13.797 -0.967 1.00 24.41 O ATOM 2044 CB LEU A 129 3.389 -14.880 -1.290 1.00 34.41 C ATOM 2045 CG LEU A 129 3.870 -15.344 -2.668 1.00 53.43 C ATOM 2046 CD1 LEU A 129 4.552 -16.700 -2.566 1.00 54.11 C ATOM 2047 CD2 LEU A 129 2.705 -15.392 -3.658 1.00 60.24 C ATOM 0 H LEU A 129 2.825 -14.304 0.995 1.00 43.25 H new ATOM 0 HA LEU A 129 5.074 -15.556 -0.093 1.00 2.52 H new ATOM 0 HB2 LEU A 129 2.691 -15.622 -0.902 1.00 34.41 H new ATOM 0 HB3 LEU A 129 2.831 -13.952 -1.415 1.00 34.41 H new ATOM 0 HG LEU A 129 4.599 -14.624 -3.039 1.00 53.43 H new ATOM 0 HD11 LEU A 129 4.887 -17.014 -3.555 1.00 54.11 H new ATOM 0 HD12 LEU A 129 5.410 -16.626 -1.898 1.00 54.11 H new ATOM 0 HD13 LEU A 129 3.848 -17.433 -2.172 1.00 54.11 H new ATOM 0 HD21 LEU A 129 3.068 -15.724 -4.631 1.00 60.24 H new ATOM 0 HD22 LEU A 129 1.948 -16.088 -3.296 1.00 60.24 H new ATOM 0 HD23 LEU A 129 2.268 -14.398 -3.754 1.00 60.24 H new ATOM 2059 N VAL A 130 4.945 -12.321 -0.797 1.00 73.53 N ATOM 2060 CA VAL A 130 5.723 -11.163 -1.257 1.00 14.45 C ATOM 2061 C VAL A 130 6.713 -10.672 -0.180 1.00 22.11 C ATOM 2062 O VAL A 130 7.763 -10.108 -0.493 1.00 2.13 O ATOM 2063 CB VAL A 130 4.764 -10.009 -1.666 1.00 71.42 C ATOM 2064 CG1 VAL A 130 5.523 -8.727 -2.001 1.00 31.24 C ATOM 2065 CG2 VAL A 130 3.889 -10.442 -2.845 1.00 4.01 C ATOM 0 H VAL A 130 3.981 -12.097 -0.549 1.00 73.53 H new ATOM 0 HA VAL A 130 6.307 -11.477 -2.122 1.00 14.45 H new ATOM 0 HB VAL A 130 4.125 -9.791 -0.810 1.00 71.42 H new ATOM 0 HG11 VAL A 130 4.815 -7.947 -2.281 1.00 31.24 H new ATOM 0 HG12 VAL A 130 6.093 -8.403 -1.130 1.00 31.24 H new ATOM 0 HG13 VAL A 130 6.204 -8.914 -2.831 1.00 31.24 H new ATOM 0 HG21 VAL A 130 3.222 -9.626 -3.122 1.00 4.01 H new ATOM 0 HG22 VAL A 130 4.523 -10.697 -3.694 1.00 4.01 H new ATOM 0 HG23 VAL A 130 3.298 -11.312 -2.559 1.00 4.01 H new ATOM 2075 N ARG A 131 6.388 -10.925 1.085 1.00 72.53 N ATOM 2076 CA ARG A 131 7.200 -10.455 2.218 1.00 25.22 C ATOM 2077 C ARG A 131 8.652 -10.955 2.133 1.00 33.12 C ATOM 2078 O ARG A 131 9.588 -10.235 2.481 1.00 4.44 O ATOM 2079 CB ARG A 131 6.573 -10.922 3.541 1.00 21.41 C ATOM 2080 CG ARG A 131 7.191 -10.294 4.785 1.00 31.12 C ATOM 2081 CD ARG A 131 6.977 -8.784 4.818 1.00 10.31 C ATOM 2082 NE ARG A 131 7.463 -8.186 6.057 1.00 61.14 N ATOM 2083 CZ ARG A 131 7.102 -7.009 6.488 1.00 45.35 C ATOM 2084 NH1 ARG A 131 6.302 -6.269 5.793 1.00 44.15 N ATOM 2085 NH2 ARG A 131 7.553 -6.570 7.612 1.00 20.24 N ATOM 0 H ARG A 131 5.562 -11.457 1.359 1.00 72.53 H new ATOM 0 HA ARG A 131 7.218 -9.366 2.177 1.00 25.22 H new ATOM 0 HB2 ARG A 131 5.507 -10.694 3.525 1.00 21.41 H new ATOM 0 HB3 ARG A 131 6.666 -12.006 3.611 1.00 21.41 H new ATOM 0 HG2 ARG A 131 6.753 -10.744 5.676 1.00 31.12 H new ATOM 0 HG3 ARG A 131 8.259 -10.511 4.811 1.00 31.12 H new ATOM 0 HD2 ARG A 131 7.489 -8.328 3.971 1.00 10.31 H new ATOM 0 HD3 ARG A 131 5.915 -8.567 4.704 1.00 10.31 H new ATOM 0 HE ARG A 131 8.125 -8.720 6.620 1.00 61.14 H new ATOM 0 HH11 ARG A 131 5.946 -6.604 4.898 1.00 44.15 H new ATOM 0 HH12 ARG A 131 6.026 -5.350 6.140 1.00 44.15 H new ATOM 0 HH21 ARG A 131 8.192 -7.143 8.164 1.00 20.24 H new ATOM 0 HH22 ARG A 131 7.271 -5.650 7.950 1.00 20.24 H new ATOM 2099 N THR A 132 8.830 -12.189 1.667 1.00 2.03 N ATOM 2100 CA THR A 132 10.166 -12.806 1.598 1.00 21.24 C ATOM 2101 C THR A 132 10.519 -13.308 0.188 1.00 51.11 C ATOM 2102 O THR A 132 11.660 -13.172 -0.256 1.00 63.13 O ATOM 2103 CB THR A 132 10.295 -13.982 2.601 1.00 42.10 C ATOM 2104 OG1 THR A 132 11.524 -14.697 2.386 1.00 50.42 O ATOM 2105 CG2 THR A 132 9.117 -14.945 2.481 1.00 62.44 C ATOM 0 H THR A 132 8.073 -12.785 1.331 1.00 2.03 H new ATOM 0 HA THR A 132 10.870 -12.017 1.863 1.00 21.24 H new ATOM 0 HB THR A 132 10.295 -13.557 3.605 1.00 42.10 H new ATOM 0 HG1 THR A 132 11.590 -15.434 3.028 1.00 50.42 H new ATOM 0 HG21 THR A 132 9.237 -15.758 3.197 1.00 62.44 H new ATOM 0 HG22 THR A 132 8.189 -14.412 2.689 1.00 62.44 H new ATOM 0 HG23 THR A 132 9.082 -15.353 1.471 1.00 62.44 H new ATOM 2113 N LYS A 133 9.546 -13.875 -0.527 1.00 30.12 N ATOM 2114 CA LYS A 133 9.822 -14.505 -1.827 1.00 5.02 C ATOM 2115 C LYS A 133 9.342 -13.650 -3.019 1.00 52.11 C ATOM 2116 O LYS A 133 9.191 -14.161 -4.130 1.00 34.35 O ATOM 2117 CB LYS A 133 9.182 -15.907 -1.870 1.00 33.54 C ATOM 2118 CG LYS A 133 9.696 -16.851 -0.777 1.00 53.34 C ATOM 2119 CD LYS A 133 11.212 -17.055 -0.856 1.00 21.22 C ATOM 2120 CE LYS A 133 11.760 -17.843 0.337 1.00 53.11 C ATOM 2121 NZ LYS A 133 11.275 -19.250 0.365 1.00 24.50 N ATOM 0 H LYS A 133 8.569 -13.913 -0.236 1.00 30.12 H new ATOM 0 HA LYS A 133 10.904 -14.591 -1.926 1.00 5.02 H new ATOM 0 HB2 LYS A 133 8.101 -15.807 -1.773 1.00 33.54 H new ATOM 0 HB3 LYS A 133 9.374 -16.355 -2.845 1.00 33.54 H new ATOM 0 HG2 LYS A 133 9.436 -16.447 0.201 1.00 53.34 H new ATOM 0 HG3 LYS A 133 9.196 -17.815 -0.867 1.00 53.34 H new ATOM 0 HD2 LYS A 133 11.457 -17.581 -1.779 1.00 21.22 H new ATOM 0 HD3 LYS A 133 11.704 -16.084 -0.903 1.00 21.22 H new ATOM 0 HE2 LYS A 133 12.849 -17.839 0.301 1.00 53.11 H new ATOM 0 HE3 LYS A 133 11.470 -17.344 1.262 1.00 53.11 H new ATOM 0 HZ1 LYS A 133 11.675 -19.739 1.191 1.00 24.50 H new ATOM 0 HZ2 LYS A 133 10.237 -19.258 0.427 1.00 24.50 H new ATOM 0 HZ3 LYS A 133 11.574 -19.738 -0.504 1.00 24.50 H new ATOM 2135 N ARG A 134 9.140 -12.344 -2.795 1.00 21.31 N ATOM 2136 CA ARG A 134 8.757 -11.418 -3.880 1.00 21.13 C ATOM 2137 C ARG A 134 9.751 -11.482 -5.046 1.00 10.32 C ATOM 2138 O ARG A 134 9.370 -11.687 -6.200 1.00 3.40 O ATOM 2139 CB ARG A 134 8.687 -9.970 -3.368 1.00 1.11 C ATOM 2140 CG ARG A 134 8.356 -8.953 -4.463 1.00 2.20 C ATOM 2141 CD ARG A 134 8.296 -7.517 -3.937 1.00 22.03 C ATOM 2142 NE ARG A 134 9.597 -7.040 -3.473 1.00 24.45 N ATOM 2143 CZ ARG A 134 9.873 -5.793 -3.198 1.00 22.23 C ATOM 2144 NH1 ARG A 134 8.977 -4.862 -3.325 1.00 44.51 N ATOM 2145 NH2 ARG A 134 11.060 -5.479 -2.796 1.00 65.12 N ATOM 0 H ARG A 134 9.234 -11.903 -1.880 1.00 21.31 H new ATOM 0 HA ARG A 134 7.773 -11.730 -4.231 1.00 21.13 H new ATOM 0 HB2 ARG A 134 7.933 -9.906 -2.583 1.00 1.11 H new ATOM 0 HB3 ARG A 134 9.642 -9.706 -2.914 1.00 1.11 H new ATOM 0 HG2 ARG A 134 9.107 -9.016 -5.251 1.00 2.20 H new ATOM 0 HG3 ARG A 134 7.398 -9.210 -4.915 1.00 2.20 H new ATOM 0 HD2 ARG A 134 7.931 -6.859 -4.725 1.00 22.03 H new ATOM 0 HD3 ARG A 134 7.579 -7.462 -3.118 1.00 22.03 H new ATOM 0 HE ARG A 134 10.341 -7.728 -3.356 1.00 24.45 H new ATOM 0 HH11 ARG A 134 8.038 -5.098 -3.645 1.00 44.51 H new ATOM 0 HH12 ARG A 134 9.212 -3.894 -3.105 1.00 44.51 H new ATOM 0 HH21 ARG A 134 11.772 -6.202 -2.696 1.00 65.12 H new ATOM 0 HH22 ARG A 134 11.285 -4.508 -2.579 1.00 65.12 H new ATOM 2159 N ASP A 135 11.025 -11.285 -4.724 1.00 33.33 N ATOM 2160 CA ASP A 135 12.098 -11.325 -5.716 1.00 10.44 C ATOM 2161 C ASP A 135 12.069 -12.630 -6.532 1.00 51.55 C ATOM 2162 O ASP A 135 12.188 -12.606 -7.753 1.00 4.24 O ATOM 2163 CB ASP A 135 13.445 -11.156 -5.012 1.00 72.41 C ATOM 2164 CG ASP A 135 14.617 -11.209 -5.974 1.00 15.22 C ATOM 2165 OD1 ASP A 135 14.859 -10.212 -6.683 1.00 22.43 O ATOM 2166 OD2 ASP A 135 15.299 -12.251 -6.027 1.00 61.34 O ATOM 0 H ASP A 135 11.344 -11.094 -3.774 1.00 33.33 H new ATOM 0 HA ASP A 135 11.950 -10.505 -6.419 1.00 10.44 H new ATOM 0 HB2 ASP A 135 13.457 -10.203 -4.483 1.00 72.41 H new ATOM 0 HB3 ASP A 135 13.560 -11.939 -4.262 1.00 72.41 H new ATOM 2171 N TRP A 136 11.891 -13.763 -5.855 1.00 44.24 N ATOM 2172 CA TRP A 136 11.829 -15.067 -6.529 1.00 64.52 C ATOM 2173 C TRP A 136 10.638 -15.152 -7.499 1.00 35.22 C ATOM 2174 O TRP A 136 10.755 -15.726 -8.586 1.00 72.11 O ATOM 2175 CB TRP A 136 11.754 -16.198 -5.494 1.00 3.35 C ATOM 2176 CG TRP A 136 12.983 -16.302 -4.638 1.00 0.12 C ATOM 2177 CD1 TRP A 136 13.266 -15.579 -3.515 1.00 32.21 C ATOM 2178 CD2 TRP A 136 14.098 -17.180 -4.841 1.00 23.31 C ATOM 2179 NE1 TRP A 136 14.487 -15.951 -3.010 1.00 2.33 N ATOM 2180 CE2 TRP A 136 15.018 -16.932 -3.806 1.00 61.42 C ATOM 2181 CE3 TRP A 136 14.406 -18.150 -5.797 1.00 24.23 C ATOM 2182 CZ2 TRP A 136 16.225 -17.618 -3.700 1.00 12.52 C ATOM 2183 CZ3 TRP A 136 15.604 -18.833 -5.692 1.00 34.45 C ATOM 2184 CH2 TRP A 136 16.501 -18.563 -4.650 1.00 61.10 C ATOM 0 H TRP A 136 11.787 -13.809 -4.841 1.00 44.24 H new ATOM 0 HA TRP A 136 12.741 -15.178 -7.116 1.00 64.52 H new ATOM 0 HB2 TRP A 136 10.886 -16.038 -4.854 1.00 3.35 H new ATOM 0 HB3 TRP A 136 11.599 -17.145 -6.011 1.00 3.35 H new ATOM 0 HD1 TRP A 136 12.623 -14.824 -3.086 1.00 32.21 H new ATOM 0 HE1 TRP A 136 14.928 -15.560 -2.177 1.00 2.33 H new ATOM 0 HE3 TRP A 136 13.721 -18.363 -6.604 1.00 24.23 H new ATOM 0 HZ2 TRP A 136 16.918 -17.412 -2.898 1.00 12.52 H new ATOM 0 HZ3 TRP A 136 15.852 -19.586 -6.425 1.00 34.45 H new ATOM 0 HH2 TRP A 136 17.429 -19.112 -4.596 1.00 61.10 H new ATOM 2195 N LEU A 137 9.500 -14.572 -7.109 1.00 22.12 N ATOM 2196 CA LEU A 137 8.313 -14.530 -7.976 1.00 23.31 C ATOM 2197 C LEU A 137 8.623 -13.869 -9.328 1.00 72.43 C ATOM 2198 O LEU A 137 8.298 -14.414 -10.380 1.00 31.50 O ATOM 2199 CB LEU A 137 7.165 -13.774 -7.290 1.00 10.43 C ATOM 2200 CG LEU A 137 6.399 -14.549 -6.204 1.00 43.15 C ATOM 2201 CD1 LEU A 137 5.394 -13.632 -5.511 1.00 31.30 C ATOM 2202 CD2 LEU A 137 5.692 -15.765 -6.806 1.00 31.42 C ATOM 0 H LEU A 137 9.373 -14.125 -6.201 1.00 22.12 H new ATOM 0 HA LEU A 137 8.011 -15.562 -8.156 1.00 23.31 H new ATOM 0 HB2 LEU A 137 7.571 -12.867 -6.843 1.00 10.43 H new ATOM 0 HB3 LEU A 137 6.454 -13.462 -8.055 1.00 10.43 H new ATOM 0 HG LEU A 137 7.114 -14.905 -5.462 1.00 43.15 H new ATOM 0 HD11 LEU A 137 4.858 -14.192 -4.745 1.00 31.30 H new ATOM 0 HD12 LEU A 137 5.921 -12.798 -5.048 1.00 31.30 H new ATOM 0 HD13 LEU A 137 4.684 -13.250 -6.244 1.00 31.30 H new ATOM 0 HD21 LEU A 137 5.156 -16.300 -6.022 1.00 31.42 H new ATOM 0 HD22 LEU A 137 4.986 -15.435 -7.568 1.00 31.42 H new ATOM 0 HD23 LEU A 137 6.430 -16.428 -7.258 1.00 31.42 H new ATOM 2214 N VAL A 138 9.243 -12.692 -9.297 1.00 52.30 N ATOM 2215 CA VAL A 138 9.565 -11.964 -10.532 1.00 62.41 C ATOM 2216 C VAL A 138 10.797 -12.558 -11.253 1.00 4.14 C ATOM 2217 O VAL A 138 10.785 -12.731 -12.474 1.00 4.13 O ATOM 2218 CB VAL A 138 9.781 -10.449 -10.261 1.00 52.33 C ATOM 2219 CG1 VAL A 138 10.923 -10.214 -9.273 1.00 50.23 C ATOM 2220 CG2 VAL A 138 10.016 -9.685 -11.565 1.00 51.32 C ATOM 0 H VAL A 138 9.533 -12.221 -8.440 1.00 52.30 H new ATOM 0 HA VAL A 138 8.704 -12.078 -11.191 1.00 62.41 H new ATOM 0 HB VAL A 138 8.869 -10.064 -9.805 1.00 52.33 H new ATOM 0 HG11 VAL A 138 11.046 -9.144 -9.107 1.00 50.23 H new ATOM 0 HG12 VAL A 138 10.692 -10.704 -8.327 1.00 50.23 H new ATOM 0 HG13 VAL A 138 11.846 -10.626 -9.679 1.00 50.23 H new ATOM 0 HG21 VAL A 138 10.164 -8.628 -11.346 1.00 51.32 H new ATOM 0 HG22 VAL A 138 10.901 -10.080 -12.063 1.00 51.32 H new ATOM 0 HG23 VAL A 138 9.150 -9.803 -12.217 1.00 51.32 H new ATOM 2230 N LYS A 139 11.846 -12.887 -10.495 1.00 71.12 N ATOM 2231 CA LYS A 139 13.078 -13.456 -11.067 1.00 44.31 C ATOM 2232 C LYS A 139 12.819 -14.810 -11.749 1.00 55.05 C ATOM 2233 O LYS A 139 13.050 -14.970 -12.949 1.00 5.54 O ATOM 2234 CB LYS A 139 14.147 -13.628 -9.976 1.00 42.40 C ATOM 2235 CG LYS A 139 14.699 -12.316 -9.420 1.00 64.44 C ATOM 2236 CD LYS A 139 15.379 -11.475 -10.496 1.00 30.11 C ATOM 2237 CE LYS A 139 15.972 -10.193 -9.917 1.00 20.03 C ATOM 2238 NZ LYS A 139 14.947 -9.368 -9.226 1.00 43.34 N ATOM 0 H LYS A 139 11.871 -12.771 -9.482 1.00 71.12 H new ATOM 0 HA LYS A 139 13.435 -12.757 -11.823 1.00 44.31 H new ATOM 0 HB2 LYS A 139 13.721 -14.206 -9.155 1.00 42.40 H new ATOM 0 HB3 LYS A 139 14.973 -14.212 -10.382 1.00 42.40 H new ATOM 0 HG2 LYS A 139 13.887 -11.743 -8.972 1.00 64.44 H new ATOM 0 HG3 LYS A 139 15.413 -12.532 -8.625 1.00 64.44 H new ATOM 0 HD2 LYS A 139 16.167 -12.059 -10.971 1.00 30.11 H new ATOM 0 HD3 LYS A 139 14.657 -11.224 -11.273 1.00 30.11 H new ATOM 0 HE2 LYS A 139 16.767 -10.446 -9.215 1.00 20.03 H new ATOM 0 HE3 LYS A 139 16.427 -9.610 -10.718 1.00 20.03 H new ATOM 0 HZ1 LYS A 139 15.129 -8.361 -9.411 1.00 43.34 H new ATOM 0 HZ2 LYS A 139 14.002 -9.620 -9.580 1.00 43.34 H new ATOM 0 HZ3 LYS A 139 14.991 -9.545 -8.202 1.00 43.34 H new ATOM 2252 N GLN A 140 12.338 -15.784 -10.978 1.00 25.04 N ATOM 2253 CA GLN A 140 12.090 -17.132 -11.505 1.00 51.34 C ATOM 2254 C GLN A 140 10.743 -17.216 -12.232 1.00 72.30 C ATOM 2255 O GLN A 140 10.398 -18.256 -12.792 1.00 72.13 O ATOM 2256 CB GLN A 140 12.141 -18.168 -10.372 1.00 40.20 C ATOM 2257 CG GLN A 140 13.456 -18.175 -9.597 1.00 65.41 C ATOM 2258 CD GLN A 140 14.667 -18.370 -10.497 1.00 24.33 C ATOM 2259 OE1 GLN A 140 15.089 -19.491 -10.761 1.00 4.00 O ATOM 2260 NE2 GLN A 140 15.239 -17.281 -10.976 1.00 12.41 N ATOM 0 H GLN A 140 12.112 -15.669 -9.990 1.00 25.04 H new ATOM 0 HA GLN A 140 12.876 -17.351 -12.228 1.00 51.34 H new ATOM 0 HB2 GLN A 140 11.323 -17.973 -9.678 1.00 40.20 H new ATOM 0 HB3 GLN A 140 11.973 -19.160 -10.792 1.00 40.20 H new ATOM 0 HG2 GLN A 140 13.559 -17.235 -9.055 1.00 65.41 H new ATOM 0 HG3 GLN A 140 13.430 -18.971 -8.852 1.00 65.41 H new ATOM 0 HE21 GLN A 140 14.865 -16.362 -10.739 1.00 12.41 H new ATOM 0 HE22 GLN A 140 16.055 -17.358 -11.583 1.00 12.41 H new ATOM 2269 N ARG A 141 9.998 -16.109 -12.221 1.00 55.30 N ATOM 2270 CA ARG A 141 8.688 -16.033 -12.870 1.00 71.24 C ATOM 2271 C ARG A 141 7.743 -17.110 -12.320 1.00 5.40 C ATOM 2272 O ARG A 141 7.276 -17.976 -13.053 1.00 65.13 O ATOM 2273 CB ARG A 141 8.841 -16.146 -14.395 1.00 4.23 C ATOM 2274 CG ARG A 141 9.839 -15.144 -14.973 1.00 50.22 C ATOM 2275 CD ARG A 141 9.781 -15.085 -16.494 1.00 14.10 C ATOM 2276 NE ARG A 141 10.699 -14.083 -17.036 1.00 21.54 N ATOM 2277 CZ ARG A 141 10.541 -13.489 -18.188 1.00 24.21 C ATOM 2278 NH1 ARG A 141 9.502 -13.732 -18.921 1.00 44.53 N ATOM 2279 NH2 ARG A 141 11.419 -12.637 -18.599 1.00 44.21 N ATOM 0 H ARG A 141 10.284 -15.243 -11.764 1.00 55.30 H new ATOM 0 HA ARG A 141 8.244 -15.063 -12.646 1.00 71.24 H new ATOM 0 HB2 ARG A 141 9.162 -17.156 -14.648 1.00 4.23 H new ATOM 0 HB3 ARG A 141 7.869 -15.993 -14.864 1.00 4.23 H new ATOM 0 HG2 ARG A 141 9.635 -14.154 -14.565 1.00 50.22 H new ATOM 0 HG3 ARG A 141 10.847 -15.416 -14.660 1.00 50.22 H new ATOM 0 HD2 ARG A 141 10.028 -16.064 -16.905 1.00 14.10 H new ATOM 0 HD3 ARG A 141 8.764 -14.854 -16.810 1.00 14.10 H new ATOM 0 HE ARG A 141 11.515 -13.832 -16.478 1.00 21.54 H new ATOM 0 HH11 ARG A 141 8.795 -14.394 -18.600 1.00 44.53 H new ATOM 0 HH12 ARG A 141 9.390 -13.261 -19.819 1.00 44.53 H new ATOM 0 HH21 ARG A 141 12.235 -12.428 -18.024 1.00 44.21 H new ATOM 0 HH22 ARG A 141 11.297 -12.172 -19.499 1.00 44.21 H new ATOM 2293 N GLY A 142 7.467 -17.027 -11.019 1.00 74.01 N ATOM 2294 CA GLY A 142 6.698 -18.055 -10.323 1.00 13.15 C ATOM 2295 C GLY A 142 5.373 -18.420 -10.990 1.00 64.01 C ATOM 2296 O GLY A 142 5.053 -19.600 -11.129 1.00 23.04 O ATOM 0 H GLY A 142 7.767 -16.254 -10.424 1.00 74.01 H new ATOM 0 HA2 GLY A 142 7.309 -18.954 -10.242 1.00 13.15 H new ATOM 0 HA3 GLY A 142 6.497 -17.714 -9.307 1.00 13.15 H new ATOM 2300 N TRP A 143 4.606 -17.419 -11.415 1.00 73.22 N ATOM 2301 CA TRP A 143 3.281 -17.665 -12.001 1.00 64.51 C ATOM 2302 C TRP A 143 3.384 -18.268 -13.413 1.00 42.13 C ATOM 2303 O TRP A 143 2.462 -18.934 -13.881 1.00 60.23 O ATOM 2304 CB TRP A 143 2.459 -16.370 -12.015 1.00 60.41 C ATOM 2305 CG TRP A 143 2.288 -15.772 -10.645 1.00 2.23 C ATOM 2306 CD1 TRP A 143 2.678 -14.527 -10.234 1.00 74.12 C ATOM 2307 CD2 TRP A 143 1.705 -16.409 -9.496 1.00 60.42 C ATOM 2308 NE1 TRP A 143 2.360 -14.348 -8.909 1.00 73.23 N ATOM 2309 CE2 TRP A 143 1.768 -15.489 -8.432 1.00 65.44 C ATOM 2310 CE3 TRP A 143 1.135 -17.667 -9.264 1.00 4.54 C ATOM 2311 CZ2 TRP A 143 1.280 -15.785 -7.161 1.00 23.10 C ATOM 2312 CZ3 TRP A 143 0.654 -17.959 -8.001 1.00 54.02 C ATOM 2313 CH2 TRP A 143 0.731 -17.022 -6.963 1.00 63.00 C ATOM 0 H TRP A 143 4.872 -16.435 -11.367 1.00 73.22 H new ATOM 0 HA TRP A 143 2.769 -18.398 -11.377 1.00 64.51 H new ATOM 0 HB2 TRP A 143 2.946 -15.643 -12.665 1.00 60.41 H new ATOM 0 HB3 TRP A 143 1.477 -16.573 -12.443 1.00 60.41 H new ATOM 0 HD1 TRP A 143 3.164 -13.793 -10.859 1.00 74.12 H new ATOM 0 HE1 TRP A 143 2.536 -13.502 -8.367 1.00 73.23 H new ATOM 0 HE3 TRP A 143 1.072 -18.396 -10.058 1.00 4.54 H new ATOM 0 HZ2 TRP A 143 1.333 -15.063 -6.360 1.00 23.10 H new ATOM 0 HZ3 TRP A 143 0.212 -18.926 -7.812 1.00 54.02 H new ATOM 0 HH2 TRP A 143 0.349 -17.281 -5.987 1.00 63.00 H new ATOM 2324 N ASP A 144 4.512 -18.036 -14.085 1.00 21.52 N ATOM 2325 CA ASP A 144 4.778 -18.666 -15.384 1.00 3.12 C ATOM 2326 C ASP A 144 5.314 -20.098 -15.182 1.00 61.41 C ATOM 2327 O ASP A 144 4.846 -21.052 -15.809 1.00 74.11 O ATOM 2328 CB ASP A 144 5.788 -17.835 -16.189 1.00 75.12 C ATOM 2329 CG ASP A 144 5.325 -16.404 -16.421 1.00 61.05 C ATOM 2330 OD1 ASP A 144 4.404 -16.190 -17.236 1.00 1.25 O ATOM 2331 OD2 ASP A 144 5.898 -15.476 -15.808 1.00 44.34 O ATOM 0 H ASP A 144 5.255 -17.420 -13.755 1.00 21.52 H new ATOM 0 HA ASP A 144 3.843 -18.713 -15.942 1.00 3.12 H new ATOM 0 HB2 ASP A 144 6.742 -17.822 -15.662 1.00 75.12 H new ATOM 0 HB3 ASP A 144 5.962 -18.316 -17.152 1.00 75.12 H new ATOM 2336 N GLY A 145 6.291 -20.231 -14.280 1.00 15.31 N ATOM 2337 CA GLY A 145 6.887 -21.526 -13.965 1.00 3.44 C ATOM 2338 C GLY A 145 5.897 -22.517 -13.363 1.00 2.30 C ATOM 2339 O GLY A 145 6.029 -23.731 -13.539 1.00 14.45 O ATOM 0 H GLY A 145 6.685 -19.451 -13.754 1.00 15.31 H new ATOM 0 HA2 GLY A 145 7.311 -21.953 -14.874 1.00 3.44 H new ATOM 0 HA3 GLY A 145 7.712 -21.378 -13.268 1.00 3.44 H new ATOM 2343 N PHE A 146 4.913 -21.995 -12.640 1.00 11.12 N ATOM 2344 CA PHE A 146 3.852 -22.812 -12.043 1.00 55.33 C ATOM 2345 C PHE A 146 3.077 -23.606 -13.114 1.00 41.40 C ATOM 2346 O PHE A 146 2.748 -24.778 -12.921 1.00 64.14 O ATOM 2347 CB PHE A 146 2.898 -21.899 -11.256 1.00 44.31 C ATOM 2348 CG PHE A 146 1.769 -22.623 -10.571 1.00 24.20 C ATOM 2349 CD1 PHE A 146 2.029 -23.626 -9.649 1.00 32.12 C ATOM 2350 CD2 PHE A 146 0.448 -22.300 -10.848 1.00 43.23 C ATOM 2351 CE1 PHE A 146 0.998 -24.290 -9.020 1.00 52.14 C ATOM 2352 CE2 PHE A 146 -0.587 -22.962 -10.218 1.00 14.32 C ATOM 2353 CZ PHE A 146 -0.312 -23.959 -9.304 1.00 21.11 C ATOM 0 H PHE A 146 4.824 -20.997 -12.449 1.00 11.12 H new ATOM 0 HA PHE A 146 4.308 -23.538 -11.370 1.00 55.33 H new ATOM 0 HB2 PHE A 146 3.472 -21.354 -10.507 1.00 44.31 H new ATOM 0 HB3 PHE A 146 2.479 -21.159 -11.937 1.00 44.31 H new ATOM 0 HD1 PHE A 146 3.051 -23.890 -9.421 1.00 32.12 H new ATOM 0 HD2 PHE A 146 0.227 -21.522 -11.564 1.00 43.23 H new ATOM 0 HE1 PHE A 146 1.215 -25.070 -8.305 1.00 52.14 H new ATOM 0 HE2 PHE A 146 -1.611 -22.700 -10.440 1.00 14.32 H new ATOM 0 HZ PHE A 146 -1.120 -24.479 -8.812 1.00 21.11 H new ATOM 2363 N VAL A 147 2.808 -22.961 -14.247 1.00 73.20 N ATOM 2364 CA VAL A 147 2.035 -23.577 -15.332 1.00 51.34 C ATOM 2365 C VAL A 147 2.851 -24.642 -16.092 1.00 14.14 C ATOM 2366 O VAL A 147 2.330 -25.707 -16.433 1.00 74.11 O ATOM 2367 CB VAL A 147 1.536 -22.500 -16.331 1.00 23.14 C ATOM 2368 CG1 VAL A 147 0.673 -23.117 -17.432 1.00 52.14 C ATOM 2369 CG2 VAL A 147 0.773 -21.396 -15.597 1.00 53.41 C ATOM 0 H VAL A 147 3.114 -22.008 -14.441 1.00 73.20 H new ATOM 0 HA VAL A 147 1.180 -24.070 -14.869 1.00 51.34 H new ATOM 0 HB VAL A 147 2.411 -22.057 -16.807 1.00 23.14 H new ATOM 0 HG11 VAL A 147 0.340 -22.335 -18.115 1.00 52.14 H new ATOM 0 HG12 VAL A 147 1.258 -23.854 -17.982 1.00 52.14 H new ATOM 0 HG13 VAL A 147 -0.195 -23.602 -16.985 1.00 52.14 H new ATOM 0 HG21 VAL A 147 0.431 -20.651 -16.315 1.00 53.41 H new ATOM 0 HG22 VAL A 147 -0.087 -21.827 -15.085 1.00 53.41 H new ATOM 0 HG23 VAL A 147 1.430 -20.923 -14.868 1.00 53.41 H new ATOM 2379 N GLU A 148 4.126 -24.345 -16.358 1.00 34.22 N ATOM 2380 CA GLU A 148 5.003 -25.260 -17.113 1.00 61.22 C ATOM 2381 C GLU A 148 5.431 -26.486 -16.290 1.00 52.14 C ATOM 2382 O GLU A 148 5.636 -27.567 -16.845 1.00 31.54 O ATOM 2383 CB GLU A 148 6.241 -24.508 -17.639 1.00 31.23 C ATOM 2384 CG GLU A 148 6.952 -23.648 -16.589 1.00 31.31 C ATOM 2385 CD GLU A 148 8.240 -24.251 -16.027 1.00 42.24 C ATOM 2386 OE1 GLU A 148 8.301 -25.475 -15.792 1.00 53.53 O ATOM 2387 OE2 GLU A 148 9.210 -23.487 -15.815 1.00 54.54 O ATOM 0 H GLU A 148 4.579 -23.480 -16.064 1.00 34.22 H new ATOM 0 HA GLU A 148 4.421 -25.631 -17.956 1.00 61.22 H new ATOM 0 HB2 GLU A 148 6.950 -25.234 -18.037 1.00 31.23 H new ATOM 0 HB3 GLU A 148 5.938 -23.870 -18.469 1.00 31.23 H new ATOM 0 HG2 GLU A 148 7.184 -22.679 -17.031 1.00 31.31 H new ATOM 0 HG3 GLU A 148 6.264 -23.465 -15.764 1.00 31.31 H new ATOM 2394 N PHE A 149 5.567 -26.319 -14.971 1.00 5.52 N ATOM 2395 CA PHE A 149 5.962 -27.429 -14.091 1.00 41.31 C ATOM 2396 C PHE A 149 4.967 -28.597 -14.177 1.00 15.11 C ATOM 2397 O PHE A 149 5.360 -29.759 -14.314 1.00 51.25 O ATOM 2398 CB PHE A 149 6.078 -26.947 -12.638 1.00 31.33 C ATOM 2399 CG PHE A 149 6.404 -28.055 -11.664 1.00 15.31 C ATOM 2400 CD1 PHE A 149 7.692 -28.566 -11.576 1.00 70.54 C ATOM 2401 CD2 PHE A 149 5.419 -28.595 -10.846 1.00 52.44 C ATOM 2402 CE1 PHE A 149 7.988 -29.590 -10.697 1.00 54.33 C ATOM 2403 CE2 PHE A 149 5.713 -29.616 -9.965 1.00 53.20 C ATOM 2404 CZ PHE A 149 6.998 -30.114 -9.892 1.00 34.53 C ATOM 0 H PHE A 149 5.411 -25.433 -14.489 1.00 5.52 H new ATOM 0 HA PHE A 149 6.935 -27.786 -14.429 1.00 41.31 H new ATOM 0 HB2 PHE A 149 6.851 -26.181 -12.578 1.00 31.33 H new ATOM 0 HB3 PHE A 149 5.140 -26.477 -12.342 1.00 31.33 H new ATOM 0 HD1 PHE A 149 8.472 -28.158 -12.202 1.00 70.54 H new ATOM 0 HD2 PHE A 149 4.411 -28.211 -10.900 1.00 52.44 H new ATOM 0 HE1 PHE A 149 8.994 -29.980 -10.640 1.00 54.33 H new ATOM 0 HE2 PHE A 149 4.938 -30.025 -9.333 1.00 53.20 H new ATOM 0 HZ PHE A 149 7.229 -30.914 -9.204 1.00 34.53 H new ATOM 2414 N PHE A 150 3.679 -28.284 -14.066 1.00 73.05 N ATOM 2415 CA PHE A 150 2.621 -29.286 -14.240 1.00 63.21 C ATOM 2416 C PHE A 150 2.275 -29.484 -15.725 1.00 62.32 C ATOM 2417 O PHE A 150 1.624 -30.463 -16.093 1.00 42.13 O ATOM 2418 CB PHE A 150 1.364 -28.877 -13.457 1.00 35.32 C ATOM 2419 CG PHE A 150 1.589 -28.776 -11.968 1.00 61.24 C ATOM 2420 CD1 PHE A 150 1.611 -29.917 -11.179 1.00 1.12 C ATOM 2421 CD2 PHE A 150 1.781 -27.543 -11.360 1.00 25.22 C ATOM 2422 CE1 PHE A 150 1.818 -29.830 -9.815 1.00 63.14 C ATOM 2423 CE2 PHE A 150 1.987 -27.452 -9.996 1.00 53.41 C ATOM 2424 CZ PHE A 150 2.006 -28.595 -9.223 1.00 1.32 C ATOM 0 H PHE A 150 3.338 -27.346 -13.856 1.00 73.05 H new ATOM 0 HA PHE A 150 2.993 -30.233 -13.850 1.00 63.21 H new ATOM 0 HB2 PHE A 150 1.011 -27.915 -13.829 1.00 35.32 H new ATOM 0 HB3 PHE A 150 0.574 -29.603 -13.649 1.00 35.32 H new ATOM 0 HD1 PHE A 150 1.465 -30.885 -11.636 1.00 1.12 H new ATOM 0 HD2 PHE A 150 1.769 -26.645 -11.959 1.00 25.22 H new ATOM 0 HE1 PHE A 150 1.833 -30.726 -9.212 1.00 63.14 H new ATOM 0 HE2 PHE A 150 2.133 -26.486 -9.535 1.00 53.41 H new ATOM 0 HZ PHE A 150 2.167 -28.525 -8.157 1.00 1.32 H new ATOM 2434 N HIS A 151 2.720 -28.546 -16.566 1.00 23.15 N ATOM 2435 CA HIS A 151 2.412 -28.551 -18.002 1.00 64.45 C ATOM 2436 C HIS A 151 0.892 -28.583 -18.243 1.00 11.54 C ATOM 2437 O HIS A 151 0.333 -29.577 -18.714 1.00 14.30 O ATOM 2438 CB HIS A 151 3.118 -29.722 -18.705 1.00 11.10 C ATOM 2439 CG HIS A 151 2.918 -29.748 -20.191 1.00 55.11 C ATOM 2440 ND1 HIS A 151 3.282 -28.709 -21.021 1.00 32.33 N ATOM 2441 CD2 HIS A 151 2.386 -30.697 -20.998 1.00 42.23 C ATOM 2442 CE1 HIS A 151 2.985 -29.018 -22.264 1.00 30.22 C ATOM 2443 NE2 HIS A 151 2.443 -30.214 -22.280 1.00 13.32 N ATOM 0 H HIS A 151 3.303 -27.762 -16.273 1.00 23.15 H new ATOM 0 HA HIS A 151 2.791 -27.625 -18.435 1.00 64.45 H new ATOM 0 HB2 HIS A 151 4.186 -29.670 -18.493 1.00 11.10 H new ATOM 0 HB3 HIS A 151 2.755 -30.659 -18.283 1.00 11.10 H new ATOM 0 HD2 HIS A 151 1.991 -31.654 -20.690 1.00 42.23 H new ATOM 0 HE1 HIS A 151 3.158 -28.393 -23.127 1.00 30.22 H new ATOM 0 HE2 HIS A 151 2.117 -30.705 -23.112 1.00 13.32 H new ATOM 2452 N VAL A 152 0.231 -27.484 -17.893 1.00 53.35 N ATOM 2453 CA VAL A 152 -1.233 -27.391 -17.961 1.00 71.32 C ATOM 2454 C VAL A 152 -1.719 -26.599 -19.185 1.00 34.02 C ATOM 2455 O VAL A 152 -2.458 -27.126 -20.020 1.00 43.33 O ATOM 2456 CB VAL A 152 -1.798 -26.740 -16.671 1.00 14.31 C ATOM 2457 CG1 VAL A 152 -3.293 -26.446 -16.800 1.00 62.33 C ATOM 2458 CG2 VAL A 152 -1.519 -27.631 -15.461 1.00 12.32 C ATOM 0 H VAL A 152 0.686 -26.636 -17.556 1.00 53.35 H new ATOM 0 HA VAL A 152 -1.604 -28.412 -18.056 1.00 71.32 H new ATOM 0 HB VAL A 152 -1.291 -25.786 -16.525 1.00 14.31 H new ATOM 0 HG11 VAL A 152 -3.655 -25.991 -15.878 1.00 62.33 H new ATOM 0 HG12 VAL A 152 -3.459 -25.762 -17.632 1.00 62.33 H new ATOM 0 HG13 VAL A 152 -3.832 -27.376 -16.981 1.00 62.33 H new ATOM 0 HG21 VAL A 152 -1.921 -27.162 -14.563 1.00 12.32 H new ATOM 0 HG22 VAL A 152 -1.993 -28.601 -15.607 1.00 12.32 H new ATOM 0 HG23 VAL A 152 -0.443 -27.766 -15.349 1.00 12.32 H new