USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 838 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 50 TYR OH : rot -68:sc= 1.18 USER MOD Set 1.2: A 69 HIS : no HE2:sc= -0.145 K(o=1,f=-7.8!) USER MOD Set 2.1: A 31 GLN : amide:sc= -0.665! C(o=-0.64!,f=-2.9!) USER MOD Set 2.2: A 32 THR OG1 : rot 170:sc= 0.0292 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.118 (180deg=0) USER MOD Single : A 5 SER OG : rot 165:sc= 1.1 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.019 X(o=-0.019,f=-0.41) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.296 K(o=0.3,f=-5.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.124 USER MOD Single : A 35 THR OG1 : rot -160:sc= 0.0815 USER MOD Single : A 41 SER OG : rot 82:sc= 1.18 USER MOD Single : A 45 LYS NZ :NH3+ -117:sc= 1.11 (180deg=0.412) USER MOD Single : A 57 GLN : amide:sc= -0.332 K(o=-0.33,f=-1.2) USER MOD Single : A 59 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.035) USER MOD Single : A 60 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-5.1!) USER MOD Single : A 64 SER OG : rot 177:sc= -1.17 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -99:sc= 1.3 USER MOD Single : A 72 THR OG1 : rot 170:sc= 0.624 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 0.378 (180deg=0.378) USER MOD Single : A 80 TYR OH : rot 105:sc= 1.24 USER MOD Single : A 83 GLN : amide:sc= -0.519 K(o=-0.52,f=-2.3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.275 K(o=-0.28,f=-3.7!) USER MOD Single : A 93 THR OG1 : rot -80:sc= -1.7! USER MOD Single : A 95 SER OG : rot -134:sc= 0.302 USER MOD Single : A 98 SER OG : rot -54:sc= 0.541 USER MOD Single : A 102 HIS : no HE2:sc= -1.15 K(o=-1.2,f=-2.3!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00693 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.139 -11.632 -1.563 1.00 8.29 N ATOM 2 CA GLY A 1 23.859 -11.159 -0.987 1.00 7.86 C ATOM 3 C GLY A 1 23.664 -9.676 -1.202 1.00 7.10 C ATOM 4 O GLY A 1 24.548 -9.010 -1.738 1.00 7.08 O ATOM 0 H1 GLY A 1 24.948 -12.356 -2.284 1.00 8.29 H new ATOM 0 H2 GLY A 1 25.640 -10.832 -2.000 1.00 8.29 H new ATOM 0 H3 GLY A 1 25.729 -12.040 -0.810 1.00 8.29 H new ATOM 0 HA2 GLY A 1 23.032 -11.705 -1.441 1.00 7.86 H new ATOM 0 HA3 GLY A 1 23.837 -11.378 0.081 1.00 7.86 H new ATOM 10 N PRO A 2 22.510 -9.129 -0.807 1.00 6.73 N ATOM 11 CA PRO A 2 22.222 -7.709 -0.964 1.00 6.29 C ATOM 12 C PRO A 2 22.894 -6.858 0.111 1.00 5.85 C ATOM 13 O PRO A 2 22.829 -7.173 1.300 1.00 6.07 O ATOM 14 CB PRO A 2 20.701 -7.646 -0.834 1.00 6.38 C ATOM 15 CG PRO A 2 20.337 -8.803 0.032 1.00 6.76 C ATOM 16 CD PRO A 2 21.393 -9.858 -0.180 1.00 7.06 C ATOM 0 HA PRO A 2 22.598 -7.314 -1.907 1.00 6.29 H new ATOM 0 HB2 PRO A 2 20.382 -6.704 -0.388 1.00 6.38 H new ATOM 0 HB3 PRO A 2 20.219 -7.716 -1.809 1.00 6.38 H new ATOM 0 HG2 PRO A 2 20.295 -8.503 1.079 1.00 6.76 H new ATOM 0 HG3 PRO A 2 19.351 -9.186 -0.230 1.00 6.76 H new ATOM 0 HD2 PRO A 2 21.695 -10.315 0.763 1.00 7.06 H new ATOM 0 HD3 PRO A 2 21.031 -10.661 -0.822 1.00 7.06 H new ATOM 24 N LEU A 3 23.546 -5.789 -0.316 1.00 5.64 N ATOM 25 CA LEU A 3 24.224 -4.887 0.602 1.00 5.68 C ATOM 26 C LEU A 3 23.928 -3.441 0.232 1.00 5.29 C ATOM 27 O LEU A 3 23.891 -3.086 -0.948 1.00 5.56 O ATOM 28 CB LEU A 3 25.733 -5.138 0.588 1.00 6.31 C ATOM 29 CG LEU A 3 26.398 -5.144 1.968 1.00 6.71 C ATOM 30 CD1 LEU A 3 25.832 -6.261 2.829 1.00 7.00 C ATOM 31 CD2 LEU A 3 27.907 -5.284 1.836 1.00 7.22 C ATOM 0 H LEU A 3 23.620 -5.523 -1.298 1.00 5.64 H new ATOM 0 HA LEU A 3 23.853 -5.076 1.609 1.00 5.68 H new ATOM 0 HB2 LEU A 3 25.923 -6.097 0.105 1.00 6.31 H new ATOM 0 HB3 LEU A 3 26.208 -4.372 -0.025 1.00 6.31 H new ATOM 0 HG LEU A 3 26.184 -4.193 2.455 1.00 6.71 H new ATOM 0 HD11 LEU A 3 26.317 -6.249 3.805 1.00 7.00 H new ATOM 0 HD12 LEU A 3 24.759 -6.115 2.955 1.00 7.00 H new ATOM 0 HD13 LEU A 3 26.014 -7.221 2.345 1.00 7.00 H new ATOM 0 HD21 LEU A 3 28.360 -5.286 2.827 1.00 7.22 H new ATOM 0 HD22 LEU A 3 28.143 -6.219 1.327 1.00 7.22 H new ATOM 0 HD23 LEU A 3 28.301 -4.448 1.259 1.00 7.22 H new ATOM 43 N GLY A 4 23.653 -2.628 1.238 1.00 4.99 N ATOM 44 CA GLY A 4 23.298 -1.246 1.004 1.00 4.95 C ATOM 45 C GLY A 4 21.822 -1.009 1.214 1.00 4.12 C ATOM 46 O GLY A 4 21.376 -0.794 2.341 1.00 4.21 O ATOM 0 H GLY A 4 23.670 -2.903 2.220 1.00 4.99 H new ATOM 0 HA2 GLY A 4 23.869 -0.604 1.675 1.00 4.95 H new ATOM 0 HA3 GLY A 4 23.571 -0.967 -0.014 1.00 4.95 H new ATOM 50 N SER A 5 21.054 -1.090 0.140 1.00 3.64 N ATOM 51 CA SER A 5 19.617 -0.913 0.226 1.00 3.04 C ATOM 52 C SER A 5 18.957 -2.131 0.854 1.00 2.18 C ATOM 53 O SER A 5 18.182 -2.008 1.801 1.00 2.49 O ATOM 54 CB SER A 5 19.042 -0.684 -1.161 1.00 3.40 C ATOM 55 OG SER A 5 20.029 -0.885 -2.159 1.00 4.18 O ATOM 0 H SER A 5 21.403 -1.277 -0.800 1.00 3.64 H new ATOM 0 HA SER A 5 19.417 -0.045 0.855 1.00 3.04 H new ATOM 0 HB2 SER A 5 18.206 -1.363 -1.329 1.00 3.40 H new ATOM 0 HB3 SER A 5 18.648 0.330 -1.233 1.00 3.40 H new ATOM 0 HG SER A 5 19.597 -0.971 -3.034 1.00 4.18 H new ATOM 61 N VAL A 6 19.230 -3.300 0.271 1.00 1.77 N ATOM 62 CA VAL A 6 18.605 -4.548 0.697 1.00 1.55 C ATOM 63 C VAL A 6 17.080 -4.411 0.611 1.00 1.64 C ATOM 64 O VAL A 6 16.557 -3.945 -0.405 1.00 2.57 O ATOM 65 CB VAL A 6 19.046 -4.968 2.127 1.00 2.21 C ATOM 66 CG1 VAL A 6 18.797 -6.453 2.362 1.00 2.77 C ATOM 67 CG2 VAL A 6 20.518 -4.646 2.355 1.00 2.87 C ATOM 0 H VAL A 6 19.886 -3.405 -0.503 1.00 1.77 H new ATOM 0 HA VAL A 6 18.937 -5.340 0.025 1.00 1.55 H new ATOM 0 HB VAL A 6 18.447 -4.399 2.838 1.00 2.21 H new ATOM 0 HG11 VAL A 6 19.114 -6.720 3.370 1.00 2.77 H new ATOM 0 HG12 VAL A 6 17.734 -6.666 2.248 1.00 2.77 H new ATOM 0 HG13 VAL A 6 19.364 -7.036 1.637 1.00 2.77 H new ATOM 0 HG21 VAL A 6 20.805 -4.948 3.362 1.00 2.87 H new ATOM 0 HG22 VAL A 6 21.125 -5.185 1.628 1.00 2.87 H new ATOM 0 HG23 VAL A 6 20.678 -3.574 2.239 1.00 2.87 H new ATOM 77 N LYS A 7 16.378 -4.725 1.684 1.00 1.09 N ATOM 78 CA LYS A 7 14.937 -4.559 1.718 1.00 1.10 C ATOM 79 C LYS A 7 14.561 -3.517 2.762 1.00 0.91 C ATOM 80 O LYS A 7 14.962 -3.621 3.923 1.00 0.98 O ATOM 81 CB LYS A 7 14.241 -5.894 2.019 1.00 1.37 C ATOM 82 CG LYS A 7 14.987 -6.780 3.006 1.00 1.06 C ATOM 83 CD LYS A 7 14.045 -7.734 3.724 1.00 1.05 C ATOM 84 CE LYS A 7 13.991 -7.444 5.216 1.00 1.34 C ATOM 85 NZ LYS A 7 13.251 -8.492 5.967 1.00 2.06 N ATOM 0 H LYS A 7 16.782 -5.096 2.544 1.00 1.09 H new ATOM 0 HA LYS A 7 14.603 -4.217 0.738 1.00 1.10 H new ATOM 0 HB2 LYS A 7 13.245 -5.691 2.412 1.00 1.37 H new ATOM 0 HB3 LYS A 7 14.110 -6.441 1.085 1.00 1.37 H new ATOM 0 HG2 LYS A 7 15.751 -7.351 2.478 1.00 1.06 H new ATOM 0 HG3 LYS A 7 15.502 -6.157 3.737 1.00 1.06 H new ATOM 0 HD2 LYS A 7 13.045 -7.649 3.299 1.00 1.05 H new ATOM 0 HD3 LYS A 7 14.373 -8.761 3.563 1.00 1.05 H new ATOM 0 HE2 LYS A 7 15.006 -7.368 5.606 1.00 1.34 H new ATOM 0 HE3 LYS A 7 13.514 -6.478 5.379 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 13.240 -8.252 6.979 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 12.274 -8.548 5.614 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 13.720 -9.411 5.834 1.00 2.06 H new ATOM 99 N PRO A 8 13.862 -2.452 2.345 1.00 0.74 N ATOM 100 CA PRO A 8 13.458 -1.363 3.241 1.00 0.60 C ATOM 101 C PRO A 8 12.569 -1.858 4.380 1.00 0.52 C ATOM 102 O PRO A 8 12.005 -2.955 4.310 1.00 0.60 O ATOM 103 CB PRO A 8 12.684 -0.401 2.333 1.00 0.61 C ATOM 104 CG PRO A 8 12.355 -1.189 1.110 1.00 0.84 C ATOM 105 CD PRO A 8 13.452 -2.201 0.957 1.00 0.81 C ATOM 0 HA PRO A 8 14.317 -0.899 3.725 1.00 0.60 H new ATOM 0 HB2 PRO A 8 11.780 -0.040 2.823 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.284 0.475 2.086 1.00 0.61 H new ATOM 0 HG2 PRO A 8 11.386 -1.678 1.211 1.00 0.84 H new ATOM 0 HG3 PRO A 8 12.297 -0.543 0.234 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.099 -3.110 0.469 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.276 -1.816 0.356 1.00 0.81 H new ATOM 113 N ASP A 9 12.467 -1.059 5.432 1.00 0.44 N ATOM 114 CA ASP A 9 11.687 -1.434 6.608 1.00 0.48 C ATOM 115 C ASP A 9 10.205 -1.183 6.364 1.00 0.41 C ATOM 116 O ASP A 9 9.852 -0.490 5.408 1.00 0.41 O ATOM 117 CB ASP A 9 12.149 -0.626 7.823 1.00 0.61 C ATOM 118 CG ASP A 9 12.671 -1.498 8.949 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.665 -2.226 8.734 1.00 1.19 O ATOM 120 OD2 ASP A 9 12.098 -1.459 10.061 1.00 1.53 O ATOM 0 H ASP A 9 12.915 -0.145 5.498 1.00 0.44 H new ATOM 0 HA ASP A 9 11.840 -2.496 6.800 1.00 0.48 H new ATOM 0 HB2 ASP A 9 12.931 0.068 7.515 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.317 -0.026 8.191 1.00 0.61 H new ATOM 125 N PRO A 10 9.317 -1.728 7.222 1.00 0.56 N ATOM 126 CA PRO A 10 7.877 -1.494 7.117 1.00 0.74 C ATOM 127 C PRO A 10 7.545 -0.009 6.978 1.00 0.67 C ATOM 128 O PRO A 10 8.005 0.819 7.769 1.00 0.97 O ATOM 129 CB PRO A 10 7.327 -2.041 8.433 1.00 1.05 C ATOM 130 CG PRO A 10 8.296 -3.095 8.831 1.00 1.12 C ATOM 131 CD PRO A 10 9.640 -2.618 8.356 1.00 0.78 C ATOM 0 HA PRO A 10 7.450 -1.970 6.234 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.257 -1.259 9.190 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.325 -2.451 8.305 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.293 -3.241 9.911 1.00 1.12 H new ATOM 0 HG3 PRO A 10 8.039 -4.053 8.379 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.176 -2.086 9.142 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.273 -3.449 8.045 1.00 0.78 H new ATOM 139 N PRO A 11 6.805 0.336 5.916 1.00 0.37 N ATOM 140 CA PRO A 11 6.420 1.713 5.587 1.00 0.38 C ATOM 141 C PRO A 11 5.821 2.468 6.769 1.00 0.28 C ATOM 142 O PRO A 11 5.187 1.881 7.652 1.00 0.35 O ATOM 143 CB PRO A 11 5.363 1.538 4.479 1.00 0.50 C ATOM 144 CG PRO A 11 5.067 0.074 4.442 1.00 0.64 C ATOM 145 CD PRO A 11 6.320 -0.597 4.906 1.00 0.41 C ATOM 0 HA PRO A 11 7.286 2.304 5.289 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.465 2.115 4.698 1.00 0.50 H new ATOM 0 HB3 PRO A 11 5.740 1.887 3.518 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.226 -0.173 5.090 1.00 0.64 H new ATOM 0 HG3 PRO A 11 4.799 -0.247 3.435 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.124 -1.585 5.323 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.036 -0.730 4.095 1.00 0.41 H new ATOM 153 N GLU A 12 5.987 3.781 6.749 1.00 0.28 N ATOM 154 CA GLU A 12 5.435 4.641 7.779 1.00 0.30 C ATOM 155 C GLU A 12 4.254 5.429 7.230 1.00 0.28 C ATOM 156 O GLU A 12 4.006 5.419 6.027 1.00 0.31 O ATOM 157 CB GLU A 12 6.502 5.604 8.299 1.00 0.47 C ATOM 158 CG GLU A 12 7.040 5.232 9.671 1.00 0.98 C ATOM 159 CD GLU A 12 5.992 5.334 10.764 1.00 1.58 C ATOM 160 OE1 GLU A 12 4.910 5.900 10.503 1.00 2.09 O ATOM 161 OE2 GLU A 12 6.239 4.853 11.889 1.00 2.11 O ATOM 0 H GLU A 12 6.505 4.276 6.023 1.00 0.28 H new ATOM 0 HA GLU A 12 5.093 4.015 8.603 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.329 5.634 7.590 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.082 6.609 8.343 1.00 0.47 H new ATOM 0 HG2 GLU A 12 7.427 4.214 9.640 1.00 0.98 H new ATOM 0 HG3 GLU A 12 7.878 5.884 9.916 1.00 0.98 H new ATOM 168 N ASN A 13 3.559 6.122 8.128 1.00 0.33 N ATOM 169 CA ASN A 13 2.414 6.976 7.780 1.00 0.37 C ATOM 170 C ASN A 13 1.424 6.262 6.865 1.00 0.32 C ATOM 171 O ASN A 13 0.897 6.855 5.924 1.00 0.35 O ATOM 172 CB ASN A 13 2.897 8.265 7.115 1.00 0.45 C ATOM 173 CG ASN A 13 2.205 9.495 7.664 1.00 0.62 C ATOM 174 OD1 ASN A 13 1.042 9.444 8.075 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.911 10.613 7.670 1.00 1.01 N ATOM 0 H ASN A 13 3.771 6.110 9.126 1.00 0.33 H new ATOM 0 HA ASN A 13 1.895 7.215 8.708 1.00 0.37 H new ATOM 0 HB2 ASN A 13 3.973 8.363 7.258 1.00 0.45 H new ATOM 0 HB3 ASN A 13 2.723 8.203 6.041 1.00 0.45 H new ATOM 0 HD21 ASN A 13 2.497 11.476 8.023 1.00 1.01 H new ATOM 0 HD22 ASN A 13 3.870 10.613 7.321 1.00 1.01 H new ATOM 182 N VAL A 14 1.218 4.977 7.115 1.00 0.30 N ATOM 183 CA VAL A 14 0.360 4.154 6.272 1.00 0.29 C ATOM 184 C VAL A 14 -1.104 4.296 6.666 1.00 0.32 C ATOM 185 O VAL A 14 -1.533 3.774 7.698 1.00 0.47 O ATOM 186 CB VAL A 14 0.750 2.662 6.347 1.00 0.34 C ATOM 187 CG1 VAL A 14 1.000 2.102 4.958 1.00 0.45 C ATOM 188 CG2 VAL A 14 1.972 2.459 7.231 1.00 0.69 C ATOM 0 H VAL A 14 1.636 4.478 7.900 1.00 0.30 H new ATOM 0 HA VAL A 14 0.498 4.510 5.251 1.00 0.29 H new ATOM 0 HB VAL A 14 -0.084 2.121 6.793 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.273 1.050 5.034 1.00 0.45 H new ATOM 0 HG12 VAL A 14 0.095 2.200 4.358 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.811 2.654 4.484 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.224 1.399 7.266 1.00 0.69 H new ATOM 0 HG22 VAL A 14 2.813 3.019 6.823 1.00 0.69 H new ATOM 0 HG23 VAL A 14 1.755 2.813 8.239 1.00 0.69 H new ATOM 198 N VAL A 15 -1.865 5.005 5.849 1.00 0.27 N ATOM 199 CA VAL A 15 -3.277 5.220 6.119 1.00 0.35 C ATOM 200 C VAL A 15 -4.099 5.189 4.835 1.00 0.34 C ATOM 201 O VAL A 15 -3.818 5.921 3.885 1.00 0.39 O ATOM 202 CB VAL A 15 -3.525 6.565 6.839 1.00 0.43 C ATOM 203 CG1 VAL A 15 -3.420 6.390 8.345 1.00 1.34 C ATOM 204 CG2 VAL A 15 -2.557 7.637 6.353 1.00 1.48 C ATOM 0 H VAL A 15 -1.528 5.442 4.991 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.592 4.405 6.771 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.536 6.894 6.598 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.597 7.347 8.836 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -4.164 5.667 8.680 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -2.423 6.030 8.601 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -2.756 8.572 6.877 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -1.533 7.320 6.552 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -2.689 7.787 5.281 1.00 1.48 H new ATOM 214 N ALA A 16 -5.167 4.410 4.847 1.00 0.35 N ATOM 215 CA ALA A 16 -6.108 4.394 3.737 1.00 0.38 C ATOM 216 C ALA A 16 -7.315 5.237 4.101 1.00 0.36 C ATOM 217 O ALA A 16 -7.955 5.002 5.127 1.00 0.39 O ATOM 218 CB ALA A 16 -6.515 2.971 3.394 1.00 0.45 C ATOM 0 H ALA A 16 -5.405 3.780 5.613 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.633 4.815 2.851 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -7.219 2.984 2.562 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.632 2.398 3.113 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.987 2.509 4.261 1.00 0.45 H new ATOM 224 N ARG A 17 -7.480 6.338 3.393 1.00 0.37 N ATOM 225 CA ARG A 17 -8.446 7.348 3.790 1.00 0.37 C ATOM 226 C ARG A 17 -9.641 7.391 2.852 1.00 0.35 C ATOM 227 O ARG A 17 -9.527 7.818 1.708 1.00 0.48 O ATOM 228 CB ARG A 17 -7.770 8.714 3.823 1.00 0.50 C ATOM 229 CG ARG A 17 -8.529 9.746 4.633 1.00 1.21 C ATOM 230 CD ARG A 17 -8.150 11.160 4.222 1.00 1.69 C ATOM 231 NE ARG A 17 -6.702 11.320 4.102 1.00 2.32 N ATOM 232 CZ ARG A 17 -6.071 11.641 2.973 1.00 3.06 C ATOM 233 NH1 ARG A 17 -6.765 11.908 1.868 1.00 3.37 N ATOM 234 NH2 ARG A 17 -4.748 11.718 2.956 1.00 3.99 N ATOM 0 H ARG A 17 -6.960 6.557 2.543 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.814 7.086 4.782 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -6.768 8.604 4.237 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -7.655 9.078 2.802 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -9.601 9.601 4.498 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -8.319 9.605 5.693 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -8.623 11.401 3.270 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -8.534 11.868 4.957 1.00 1.69 H new ATOM 0 HE ARG A 17 -6.137 11.176 4.939 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -7.784 11.867 1.883 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -6.277 12.153 1.006 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -4.215 11.532 3.806 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -4.262 11.963 2.093 1.00 3.99 H new ATOM 248 N PRO A 18 -10.818 6.999 3.346 1.00 0.31 N ATOM 249 CA PRO A 18 -12.056 7.050 2.568 1.00 0.38 C ATOM 250 C PRO A 18 -12.391 8.467 2.120 1.00 0.39 C ATOM 251 O PRO A 18 -12.519 9.376 2.943 1.00 0.46 O ATOM 252 CB PRO A 18 -13.122 6.536 3.535 1.00 0.49 C ATOM 253 CG PRO A 18 -12.523 6.660 4.895 1.00 0.57 C ATOM 254 CD PRO A 18 -11.042 6.511 4.714 1.00 0.43 C ATOM 0 HA PRO A 18 -11.981 6.462 1.653 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -14.038 7.121 3.455 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.384 5.501 3.315 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -12.766 7.625 5.341 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -12.913 5.893 5.564 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -10.486 7.097 5.446 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.725 5.474 4.828 1.00 0.43 H new ATOM 262 N VAL A 19 -12.527 8.650 0.817 1.00 0.40 N ATOM 263 CA VAL A 19 -12.867 9.951 0.263 1.00 0.45 C ATOM 264 C VAL A 19 -14.366 10.194 0.396 1.00 0.48 C ATOM 265 O VAL A 19 -15.170 9.415 -0.103 1.00 0.47 O ATOM 266 CB VAL A 19 -12.453 10.061 -1.221 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.723 11.460 -1.755 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.986 9.698 -1.395 1.00 0.52 C ATOM 0 H VAL A 19 -12.407 7.913 0.122 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.318 10.707 0.824 1.00 0.45 H new ATOM 0 HB VAL A 19 -13.054 9.355 -1.795 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.424 11.514 -2.802 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.787 11.683 -1.670 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -12.152 12.187 -1.177 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.713 9.781 -2.447 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.371 10.378 -0.805 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.822 8.675 -1.058 1.00 0.52 H new ATOM 278 N PRO A 20 -14.765 11.257 1.109 1.00 0.58 N ATOM 279 CA PRO A 20 -16.182 11.558 1.367 1.00 0.69 C ATOM 280 C PRO A 20 -16.942 11.965 0.106 1.00 0.70 C ATOM 281 O PRO A 20 -18.154 12.184 0.142 1.00 1.27 O ATOM 282 CB PRO A 20 -16.127 12.724 2.359 1.00 0.84 C ATOM 283 CG PRO A 20 -14.791 13.343 2.147 1.00 0.97 C ATOM 284 CD PRO A 20 -13.869 12.219 1.774 1.00 0.67 C ATOM 0 HA PRO A 20 -16.714 10.684 1.742 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.928 13.439 2.173 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -16.243 12.376 3.385 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -14.830 14.094 1.358 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.447 13.847 3.050 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -13.073 12.554 1.109 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -13.389 11.783 2.651 1.00 0.67 H new ATOM 292 N SER A 21 -16.226 12.091 -0.999 1.00 0.80 N ATOM 293 CA SER A 21 -16.832 12.483 -2.260 1.00 0.85 C ATOM 294 C SER A 21 -17.017 11.275 -3.182 1.00 0.65 C ATOM 295 O SER A 21 -17.753 11.341 -4.169 1.00 0.69 O ATOM 296 CB SER A 21 -15.968 13.548 -2.934 1.00 1.07 C ATOM 297 OG SER A 21 -15.342 14.371 -1.961 1.00 1.49 O ATOM 0 H SER A 21 -15.221 11.927 -1.048 1.00 0.80 H new ATOM 0 HA SER A 21 -17.820 12.898 -2.059 1.00 0.85 H new ATOM 0 HB2 SER A 21 -15.211 13.070 -3.556 1.00 1.07 H new ATOM 0 HB3 SER A 21 -16.583 14.159 -3.594 1.00 1.07 H new ATOM 0 HG SER A 21 -14.791 15.046 -2.409 1.00 1.49 H new ATOM 303 N ASN A 22 -16.360 10.170 -2.849 1.00 0.55 N ATOM 304 CA ASN A 22 -16.460 8.957 -3.634 1.00 0.44 C ATOM 305 C ASN A 22 -16.637 7.735 -2.737 1.00 0.40 C ATOM 306 O ASN A 22 -15.797 7.452 -1.883 1.00 0.43 O ATOM 307 CB ASN A 22 -15.221 8.791 -4.497 1.00 0.57 C ATOM 308 CG ASN A 22 -15.457 7.805 -5.608 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.560 6.602 -5.375 1.00 0.94 O ATOM 310 ND2 ASN A 22 -15.571 8.308 -6.818 1.00 1.28 N ATOM 0 H ASN A 22 -15.750 10.095 -2.035 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.338 9.040 -4.275 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -14.937 9.755 -4.918 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.388 8.454 -3.880 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -15.752 7.693 -7.611 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -15.478 9.313 -6.963 1.00 1.28 H new ATOM 317 N PRO A 23 -17.743 7.003 -2.914 1.00 0.40 N ATOM 318 CA PRO A 23 -18.089 5.844 -2.074 1.00 0.43 C ATOM 319 C PRO A 23 -17.151 4.653 -2.250 1.00 0.48 C ATOM 320 O PRO A 23 -17.234 3.672 -1.509 1.00 0.98 O ATOM 321 CB PRO A 23 -19.501 5.468 -2.542 1.00 0.56 C ATOM 322 CG PRO A 23 -20.001 6.659 -3.285 1.00 0.70 C ATOM 323 CD PRO A 23 -18.792 7.288 -3.902 1.00 0.48 C ATOM 0 HA PRO A 23 -18.014 6.098 -1.017 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.481 4.586 -3.182 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.146 5.234 -1.695 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -20.724 6.370 -4.048 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.506 7.355 -2.615 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.561 6.854 -4.875 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -18.925 8.359 -4.054 1.00 0.48 H new ATOM 331 N ARG A 24 -16.328 4.686 -3.282 1.00 0.31 N ATOM 332 CA ARG A 24 -15.472 3.553 -3.595 1.00 0.27 C ATOM 333 C ARG A 24 -13.999 3.924 -3.495 1.00 0.26 C ATOM 334 O ARG A 24 -13.126 3.119 -3.810 1.00 0.31 O ATOM 335 CB ARG A 24 -15.785 3.055 -5.006 1.00 0.35 C ATOM 336 CG ARG A 24 -16.031 1.559 -5.090 1.00 0.37 C ATOM 337 CD ARG A 24 -17.158 1.222 -6.052 1.00 0.62 C ATOM 338 NE ARG A 24 -17.310 2.230 -7.099 1.00 1.27 N ATOM 339 CZ ARG A 24 -16.683 2.180 -8.275 1.00 2.02 C ATOM 340 NH1 ARG A 24 -15.974 1.111 -8.608 1.00 2.44 N ATOM 341 NH2 ARG A 24 -16.799 3.181 -9.136 1.00 2.86 N ATOM 0 H ARG A 24 -16.233 5.480 -3.916 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.669 2.764 -2.869 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.665 3.579 -5.379 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.956 3.315 -5.665 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.118 1.059 -5.412 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -16.273 1.175 -4.099 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -16.965 0.252 -6.510 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -18.092 1.133 -5.498 1.00 0.62 H new ATOM 0 HE ARG A 24 -17.932 3.018 -6.920 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -15.907 0.323 -7.964 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -15.496 1.076 -9.508 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -17.369 3.993 -8.900 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -16.318 3.139 -10.034 1.00 2.86 H new ATOM 355 N ARG A 25 -13.720 5.166 -3.132 1.00 0.23 N ATOM 356 CA ARG A 25 -12.349 5.653 -3.155 1.00 0.26 C ATOM 357 C ARG A 25 -11.676 5.597 -1.793 1.00 0.24 C ATOM 358 O ARG A 25 -12.065 6.302 -0.857 1.00 0.24 O ATOM 359 CB ARG A 25 -12.304 7.081 -3.689 1.00 0.32 C ATOM 360 CG ARG A 25 -11.038 7.389 -4.466 1.00 0.51 C ATOM 361 CD ARG A 25 -11.224 8.594 -5.367 1.00 0.80 C ATOM 362 NE ARG A 25 -11.039 8.261 -6.777 1.00 1.32 N ATOM 363 CZ ARG A 25 -10.818 9.168 -7.724 1.00 1.71 C ATOM 364 NH1 ARG A 25 -10.757 10.458 -7.409 1.00 2.14 N ATOM 365 NH2 ARG A 25 -10.665 8.788 -8.986 1.00 2.31 N ATOM 0 H ARG A 25 -14.413 5.847 -2.822 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.795 4.987 -3.817 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.167 7.249 -4.333 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.389 7.777 -2.854 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.219 7.575 -3.772 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -10.757 6.523 -5.066 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -12.223 9.005 -5.220 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -10.515 9.371 -5.083 1.00 0.80 H new ATOM 0 HE ARG A 25 -11.082 7.279 -7.050 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -10.880 10.753 -6.440 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -10.587 11.153 -8.136 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -10.717 7.799 -9.231 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -10.496 9.485 -9.711 1.00 2.31 H new ATOM 379 N LEU A 26 -10.550 4.899 -1.758 1.00 0.29 N ATOM 380 CA LEU A 26 -9.674 4.898 -0.601 1.00 0.35 C ATOM 381 C LEU A 26 -8.386 5.634 -0.945 1.00 0.39 C ATOM 382 O LEU A 26 -7.643 5.216 -1.838 1.00 0.44 O ATOM 383 CB LEU A 26 -9.335 3.469 -0.163 1.00 0.44 C ATOM 384 CG LEU A 26 -10.330 2.813 0.798 1.00 0.36 C ATOM 385 CD1 LEU A 26 -9.805 1.465 1.266 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.598 3.714 1.990 1.00 0.43 C ATOM 0 H LEU A 26 -10.221 4.320 -2.530 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.190 5.397 0.220 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.254 2.846 -1.054 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.353 3.477 0.310 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.268 2.658 0.265 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.524 1.012 1.948 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -9.660 0.812 0.405 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -8.854 1.604 1.780 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.308 3.229 2.660 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.665 3.900 2.522 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -11.014 4.660 1.644 1.00 0.43 H new ATOM 398 N GLU A 27 -8.125 6.719 -0.239 1.00 0.41 N ATOM 399 CA GLU A 27 -6.905 7.484 -0.429 1.00 0.47 C ATOM 400 C GLU A 27 -5.772 6.823 0.333 1.00 0.41 C ATOM 401 O GLU A 27 -5.464 7.207 1.463 1.00 0.48 O ATOM 402 CB GLU A 27 -7.096 8.920 0.059 1.00 0.51 C ATOM 403 CG GLU A 27 -7.328 9.914 -1.059 1.00 0.99 C ATOM 404 CD GLU A 27 -6.083 10.700 -1.396 1.00 1.26 C ATOM 405 OE1 GLU A 27 -5.260 10.199 -2.193 1.00 1.82 O ATOM 406 OE2 GLU A 27 -5.921 11.819 -0.871 1.00 1.63 O ATOM 0 H GLU A 27 -8.747 7.093 0.477 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.662 7.510 -1.491 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.943 8.952 0.744 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.216 9.222 0.626 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -7.672 9.384 -1.947 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -8.122 10.602 -0.771 1.00 0.99 H new ATOM 413 N VAL A 28 -5.220 5.770 -0.243 1.00 0.40 N ATOM 414 CA VAL A 28 -4.167 5.011 0.406 1.00 0.38 C ATOM 415 C VAL A 28 -2.863 5.787 0.357 1.00 0.35 C ATOM 416 O VAL A 28 -2.219 5.865 -0.681 1.00 0.42 O ATOM 417 CB VAL A 28 -3.977 3.639 -0.264 1.00 0.49 C ATOM 418 CG1 VAL A 28 -2.886 2.846 0.428 1.00 0.61 C ATOM 419 CG2 VAL A 28 -5.285 2.865 -0.267 1.00 0.68 C ATOM 0 H VAL A 28 -5.485 5.420 -1.164 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.458 4.849 1.444 1.00 0.38 H new ATOM 0 HB VAL A 28 -3.670 3.802 -1.297 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -2.771 1.880 -0.064 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -1.946 3.396 0.373 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -3.156 2.691 1.473 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -5.134 1.897 -0.744 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.621 2.715 0.759 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -6.039 3.427 -0.818 1.00 0.68 H new ATOM 429 N THR A 29 -2.505 6.408 1.462 1.00 0.31 N ATOM 430 CA THR A 29 -1.301 7.211 1.517 1.00 0.30 C ATOM 431 C THR A 29 -0.338 6.661 2.558 1.00 0.28 C ATOM 432 O THR A 29 -0.761 6.133 3.586 1.00 0.31 O ATOM 433 CB THR A 29 -1.638 8.675 1.844 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.978 8.972 1.424 1.00 0.69 O ATOM 435 CG2 THR A 29 -0.669 9.626 1.162 1.00 0.59 C ATOM 0 H THR A 29 -3.031 6.372 2.335 1.00 0.31 H new ATOM 0 HA THR A 29 -0.825 7.170 0.537 1.00 0.30 H new ATOM 0 HB THR A 29 -1.551 8.810 2.922 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.188 9.905 1.636 1.00 0.69 H new ATOM 0 HG21 THR A 29 -0.932 10.654 1.411 1.00 0.59 H new ATOM 0 HG22 THR A 29 0.345 9.418 1.503 1.00 0.59 H new ATOM 0 HG23 THR A 29 -0.724 9.489 0.082 1.00 0.59 H new ATOM 443 N TRP A 30 0.950 6.746 2.268 1.00 0.27 N ATOM 444 CA TRP A 30 1.972 6.245 3.168 1.00 0.28 C ATOM 445 C TRP A 30 3.277 6.990 2.939 1.00 0.27 C ATOM 446 O TRP A 30 3.345 7.903 2.114 1.00 0.33 O ATOM 447 CB TRP A 30 2.177 4.735 2.972 1.00 0.29 C ATOM 448 CG TRP A 30 2.700 4.360 1.615 1.00 0.25 C ATOM 449 CD1 TRP A 30 4.004 4.168 1.263 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.929 4.124 0.433 1.00 0.25 C ATOM 451 NE1 TRP A 30 4.090 3.843 -0.069 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.830 3.804 -0.598 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.564 4.155 0.147 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.410 3.520 -1.894 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.147 3.872 -1.138 1.00 0.49 C ATOM 456 CH2 TRP A 30 1.066 3.558 -2.144 1.00 0.46 C ATOM 0 H TRP A 30 1.313 7.161 1.410 1.00 0.27 H new ATOM 0 HA TRP A 30 1.644 6.413 4.194 1.00 0.28 H new ATOM 0 HB2 TRP A 30 2.870 4.372 3.730 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.228 4.225 3.138 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.846 4.258 1.934 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.954 3.660 -0.580 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.154 4.396 0.917 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 3.118 3.279 -2.673 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -0.907 3.893 -1.370 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.707 3.341 -3.139 1.00 0.46 H new ATOM 467 N GLN A 31 4.306 6.587 3.659 1.00 0.28 N ATOM 468 CA GLN A 31 5.625 7.167 3.522 1.00 0.29 C ATOM 469 C GLN A 31 6.672 6.090 3.769 1.00 0.29 C ATOM 470 O GLN A 31 6.333 4.967 4.154 1.00 0.29 O ATOM 471 CB GLN A 31 5.798 8.330 4.506 1.00 0.32 C ATOM 472 CG GLN A 31 5.969 9.682 3.825 1.00 0.64 C ATOM 473 CD GLN A 31 6.773 9.591 2.543 1.00 0.85 C ATOM 474 OE1 GLN A 31 7.943 9.206 2.556 1.00 1.65 O ATOM 475 NE2 GLN A 31 6.156 9.943 1.426 1.00 0.79 N ATOM 0 H GLN A 31 4.249 5.846 4.357 1.00 0.28 H new ATOM 0 HA GLN A 31 5.749 7.560 2.513 1.00 0.29 H new ATOM 0 HB2 GLN A 31 4.930 8.371 5.164 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.667 8.137 5.136 1.00 0.32 H new ATOM 0 HG2 GLN A 31 4.987 10.101 3.605 1.00 0.64 H new ATOM 0 HG3 GLN A 31 6.462 10.370 4.511 1.00 0.64 H new ATOM 0 HE21 GLN A 31 5.186 10.257 1.456 1.00 0.79 H new ATOM 0 HE22 GLN A 31 6.651 9.901 0.535 1.00 0.79 H new ATOM 484 N THR A 32 7.933 6.412 3.536 1.00 0.34 N ATOM 485 CA THR A 32 9.000 5.449 3.745 1.00 0.36 C ATOM 486 C THR A 32 9.253 5.249 5.235 1.00 0.41 C ATOM 487 O THR A 32 8.891 6.099 6.051 1.00 0.49 O ATOM 488 CB THR A 32 10.303 5.891 3.057 1.00 0.42 C ATOM 489 OG1 THR A 32 10.480 7.307 3.209 1.00 0.49 O ATOM 490 CG2 THR A 32 10.277 5.540 1.578 1.00 0.49 C ATOM 0 H THR A 32 8.241 7.326 3.204 1.00 0.34 H new ATOM 0 HA THR A 32 8.680 4.507 3.301 1.00 0.36 H new ATOM 0 HB THR A 32 11.134 5.366 3.528 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.380 7.558 2.914 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.208 5.862 1.111 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.166 4.462 1.462 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.438 6.045 1.099 1.00 0.49 H new ATOM 498 N PRO A 33 9.857 4.114 5.614 1.00 0.39 N ATOM 499 CA PRO A 33 10.157 3.809 7.016 1.00 0.46 C ATOM 500 C PRO A 33 11.130 4.811 7.627 1.00 0.56 C ATOM 501 O PRO A 33 11.863 5.496 6.911 1.00 0.60 O ATOM 502 CB PRO A 33 10.807 2.425 6.951 1.00 0.46 C ATOM 503 CG PRO A 33 11.296 2.298 5.550 1.00 0.42 C ATOM 504 CD PRO A 33 10.296 3.034 4.713 1.00 0.35 C ATOM 0 HA PRO A 33 9.263 3.850 7.639 1.00 0.46 H new ATOM 0 HB2 PRO A 33 11.626 2.339 7.665 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.090 1.640 7.192 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.292 2.727 5.441 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.365 1.252 5.251 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.742 3.425 3.798 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.467 2.393 4.414 1.00 0.35 H new ATOM 512 N SER A 34 11.178 4.854 8.949 1.00 0.66 N ATOM 513 CA SER A 34 12.091 5.746 9.652 1.00 0.80 C ATOM 514 C SER A 34 13.545 5.335 9.419 1.00 0.86 C ATOM 515 O SER A 34 14.455 6.158 9.498 1.00 0.96 O ATOM 516 CB SER A 34 11.768 5.733 11.143 1.00 0.92 C ATOM 517 OG SER A 34 10.568 5.013 11.390 1.00 1.02 O ATOM 0 H SER A 34 10.595 4.281 9.559 1.00 0.66 H new ATOM 0 HA SER A 34 11.963 6.756 9.263 1.00 0.80 H new ATOM 0 HB2 SER A 34 12.591 5.278 11.695 1.00 0.92 H new ATOM 0 HB3 SER A 34 11.666 6.755 11.507 1.00 0.92 H new ATOM 0 HG SER A 34 10.378 5.014 12.351 1.00 1.02 H new ATOM 523 N THR A 35 13.750 4.062 9.114 1.00 0.82 N ATOM 524 CA THR A 35 15.082 3.530 8.874 1.00 0.91 C ATOM 525 C THR A 35 15.598 3.894 7.479 1.00 0.92 C ATOM 526 O THR A 35 16.789 3.760 7.190 1.00 1.11 O ATOM 527 CB THR A 35 15.072 2.002 9.032 1.00 0.89 C ATOM 528 OG1 THR A 35 13.872 1.604 9.711 1.00 0.85 O ATOM 529 CG2 THR A 35 16.286 1.526 9.814 1.00 1.08 C ATOM 0 H THR A 35 13.003 3.373 9.026 1.00 0.82 H new ATOM 0 HA THR A 35 15.751 3.977 9.609 1.00 0.91 H new ATOM 0 HB THR A 35 15.107 1.549 8.041 1.00 0.89 H new ATOM 0 HG1 THR A 35 13.994 0.710 10.093 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.254 0.441 9.911 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.195 1.816 9.287 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.281 1.979 10.805 1.00 1.08 H new ATOM 537 N TRP A 36 14.710 4.397 6.628 1.00 0.80 N ATOM 538 CA TRP A 36 15.099 4.809 5.287 1.00 0.83 C ATOM 539 C TRP A 36 15.468 6.288 5.269 1.00 1.00 C ATOM 540 O TRP A 36 14.694 7.135 5.715 1.00 1.09 O ATOM 541 CB TRP A 36 13.970 4.537 4.290 1.00 0.74 C ATOM 542 CG TRP A 36 14.461 4.158 2.926 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.220 4.817 1.754 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.283 3.032 2.592 1.00 0.87 C ATOM 545 NE1 TRP A 36 14.841 4.169 0.714 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.497 3.070 1.202 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.857 1.996 3.331 1.00 0.97 C ATOM 548 CZ2 TRP A 36 16.260 2.115 0.539 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.614 1.048 2.671 1.00 1.14 C ATOM 550 CH2 TRP A 36 16.810 1.114 1.287 1.00 1.21 C ATOM 0 H TRP A 36 13.722 4.528 6.843 1.00 0.80 H new ATOM 0 HA TRP A 36 15.972 4.226 4.992 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.339 3.737 4.676 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.344 5.426 4.209 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.628 5.715 1.659 1.00 0.86 H new ATOM 0 HE1 TRP A 36 14.817 4.459 -0.264 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.712 1.937 4.400 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.412 2.163 -0.529 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 17.062 0.242 3.233 1.00 1.14 H new ATOM 0 HH2 TRP A 36 17.408 0.358 0.801 1.00 1.21 H new ATOM 561 N PRO A 37 16.672 6.616 4.782 1.00 1.20 N ATOM 562 CA PRO A 37 17.154 7.997 4.724 1.00 1.44 C ATOM 563 C PRO A 37 16.500 8.789 3.585 1.00 1.34 C ATOM 564 O PRO A 37 15.328 9.164 3.677 1.00 1.49 O ATOM 565 CB PRO A 37 18.660 7.829 4.498 1.00 1.76 C ATOM 566 CG PRO A 37 18.792 6.528 3.782 1.00 1.78 C ATOM 567 CD PRO A 37 17.668 5.657 4.272 1.00 1.34 C ATOM 0 HA PRO A 37 16.914 8.564 5.623 1.00 1.44 H new ATOM 0 HB2 PRO A 37 19.066 8.650 3.906 1.00 1.76 H new ATOM 0 HB3 PRO A 37 19.204 7.818 5.443 1.00 1.76 H new ATOM 0 HG2 PRO A 37 18.731 6.671 2.703 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.758 6.068 3.988 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.258 5.045 3.469 1.00 1.34 H new ATOM 0 HD3 PRO A 37 18.003 4.975 5.054 1.00 1.34 H new ATOM 575 N ASP A 38 17.243 9.017 2.507 1.00 1.33 N ATOM 576 CA ASP A 38 16.712 9.730 1.353 1.00 1.35 C ATOM 577 C ASP A 38 16.104 8.751 0.354 1.00 1.29 C ATOM 578 O ASP A 38 16.816 7.961 -0.267 1.00 1.42 O ATOM 579 CB ASP A 38 17.810 10.556 0.683 1.00 1.65 C ATOM 580 CG ASP A 38 17.294 11.360 -0.491 1.00 1.90 C ATOM 581 OD1 ASP A 38 16.778 12.477 -0.275 1.00 2.28 O ATOM 582 OD2 ASP A 38 17.400 10.879 -1.637 1.00 2.16 O ATOM 0 H ASP A 38 18.213 8.718 2.409 1.00 1.33 H new ATOM 0 HA ASP A 38 15.929 10.406 1.697 1.00 1.35 H new ATOM 0 HB2 ASP A 38 18.251 11.231 1.416 1.00 1.65 H new ATOM 0 HB3 ASP A 38 18.604 9.891 0.343 1.00 1.65 H new ATOM 587 N PRO A 39 14.772 8.766 0.208 1.00 1.31 N ATOM 588 CA PRO A 39 14.068 7.844 -0.680 1.00 1.44 C ATOM 589 C PRO A 39 14.046 8.317 -2.131 1.00 1.61 C ATOM 590 O PRO A 39 13.347 7.750 -2.967 1.00 1.84 O ATOM 591 CB PRO A 39 12.658 7.820 -0.098 1.00 1.62 C ATOM 592 CG PRO A 39 12.474 9.165 0.515 1.00 1.69 C ATOM 593 CD PRO A 39 13.841 9.641 0.943 1.00 1.44 C ATOM 0 HA PRO A 39 14.550 6.867 -0.721 1.00 1.44 H new ATOM 0 HB2 PRO A 39 11.914 7.634 -0.872 1.00 1.62 H new ATOM 0 HB3 PRO A 39 12.550 7.029 0.644 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.030 9.858 -0.200 1.00 1.69 H new ATOM 0 HG3 PRO A 39 11.799 9.111 1.369 1.00 1.69 H new ATOM 0 HD2 PRO A 39 13.995 10.690 0.690 1.00 1.44 H new ATOM 0 HD3 PRO A 39 13.975 9.550 2.021 1.00 1.44 H new ATOM 601 N GLU A 40 14.846 9.329 -2.434 1.00 1.57 N ATOM 602 CA GLU A 40 14.960 9.829 -3.796 1.00 1.76 C ATOM 603 C GLU A 40 16.194 9.232 -4.461 1.00 1.76 C ATOM 604 O GLU A 40 16.121 8.683 -5.561 1.00 1.90 O ATOM 605 CB GLU A 40 15.033 11.355 -3.803 1.00 1.90 C ATOM 606 CG GLU A 40 13.792 12.026 -3.234 1.00 2.12 C ATOM 607 CD GLU A 40 12.854 12.524 -4.313 1.00 2.36 C ATOM 608 OE1 GLU A 40 11.990 11.739 -4.763 1.00 2.91 O ATOM 609 OE2 GLU A 40 12.966 13.704 -4.707 1.00 2.63 O ATOM 0 H GLU A 40 15.426 9.820 -1.754 1.00 1.57 H new ATOM 0 HA GLU A 40 14.075 9.530 -4.358 1.00 1.76 H new ATOM 0 HB2 GLU A 40 15.903 11.672 -3.228 1.00 1.90 H new ATOM 0 HB3 GLU A 40 15.185 11.699 -4.826 1.00 1.90 H new ATOM 0 HG2 GLU A 40 13.262 11.320 -2.595 1.00 2.12 H new ATOM 0 HG3 GLU A 40 14.092 12.863 -2.604 1.00 2.12 H new ATOM 616 N SER A 41 17.300 9.244 -3.728 1.00 1.67 N ATOM 617 CA SER A 41 18.533 8.618 -4.186 1.00 1.75 C ATOM 618 C SER A 41 18.431 7.104 -4.051 1.00 1.63 C ATOM 619 O SER A 41 19.178 6.359 -4.683 1.00 1.67 O ATOM 620 CB SER A 41 19.724 9.145 -3.382 1.00 1.82 C ATOM 621 OG SER A 41 19.554 10.518 -3.053 1.00 1.89 O ATOM 0 H SER A 41 17.368 9.683 -2.810 1.00 1.67 H new ATOM 0 HA SER A 41 18.686 8.867 -5.236 1.00 1.75 H new ATOM 0 HB2 SER A 41 19.837 8.561 -2.469 1.00 1.82 H new ATOM 0 HB3 SER A 41 20.640 9.017 -3.958 1.00 1.82 H new ATOM 0 HG SER A 41 18.976 10.597 -2.265 1.00 1.89 H new ATOM 627 N PHE A 42 17.442 6.659 -3.286 1.00 1.51 N ATOM 628 CA PHE A 42 17.157 5.242 -3.134 1.00 1.41 C ATOM 629 C PHE A 42 15.779 4.932 -3.711 1.00 1.27 C ATOM 630 O PHE A 42 14.767 5.069 -3.020 1.00 1.40 O ATOM 631 CB PHE A 42 17.200 4.844 -1.658 1.00 1.58 C ATOM 632 CG PHE A 42 18.558 4.416 -1.178 1.00 2.08 C ATOM 633 CD1 PHE A 42 19.226 3.367 -1.787 1.00 2.54 C ATOM 634 CD2 PHE A 42 19.162 5.060 -0.112 1.00 2.38 C ATOM 635 CE1 PHE A 42 20.473 2.968 -1.340 1.00 3.12 C ATOM 636 CE2 PHE A 42 20.408 4.667 0.339 1.00 3.01 C ATOM 637 CZ PHE A 42 21.064 3.620 -0.277 1.00 3.32 C ATOM 0 H PHE A 42 16.819 7.269 -2.757 1.00 1.51 H new ATOM 0 HA PHE A 42 17.914 4.672 -3.672 1.00 1.41 H new ATOM 0 HB2 PHE A 42 16.862 5.687 -1.055 1.00 1.58 H new ATOM 0 HB3 PHE A 42 16.494 4.030 -1.491 1.00 1.58 H new ATOM 0 HD1 PHE A 42 18.768 2.855 -2.620 1.00 2.54 H new ATOM 0 HD2 PHE A 42 18.653 5.880 0.373 1.00 2.38 H new ATOM 0 HE1 PHE A 42 20.983 2.147 -1.822 1.00 3.12 H new ATOM 0 HE2 PHE A 42 20.868 5.178 1.172 1.00 3.01 H new ATOM 0 HZ PHE A 42 22.038 3.312 0.073 1.00 3.32 H new ATOM 647 N PRO A 43 15.717 4.593 -5.009 1.00 1.24 N ATOM 648 CA PRO A 43 14.451 4.322 -5.702 1.00 1.33 C ATOM 649 C PRO A 43 13.725 3.113 -5.124 1.00 1.26 C ATOM 650 O PRO A 43 14.153 1.971 -5.291 1.00 1.97 O ATOM 651 CB PRO A 43 14.875 4.051 -7.148 1.00 1.58 C ATOM 652 CG PRO A 43 16.320 3.699 -7.070 1.00 1.75 C ATOM 653 CD PRO A 43 16.869 4.480 -5.913 1.00 1.40 C ATOM 0 HA PRO A 43 13.751 5.152 -5.603 1.00 1.33 H new ATOM 0 HB2 PRO A 43 14.294 3.238 -7.583 1.00 1.58 H new ATOM 0 HB3 PRO A 43 14.716 4.928 -7.776 1.00 1.58 H new ATOM 0 HG2 PRO A 43 16.454 2.628 -6.918 1.00 1.75 H new ATOM 0 HG3 PRO A 43 16.836 3.956 -7.995 1.00 1.75 H new ATOM 0 HD2 PRO A 43 17.704 3.964 -5.439 1.00 1.40 H new ATOM 0 HD3 PRO A 43 17.234 5.459 -6.225 1.00 1.40 H new ATOM 661 N LEU A 44 12.647 3.376 -4.407 1.00 0.98 N ATOM 662 CA LEU A 44 11.890 2.324 -3.760 1.00 0.82 C ATOM 663 C LEU A 44 10.661 1.953 -4.576 1.00 0.78 C ATOM 664 O LEU A 44 9.775 2.778 -4.815 1.00 0.98 O ATOM 665 CB LEU A 44 11.479 2.753 -2.350 1.00 0.83 C ATOM 666 CG LEU A 44 11.927 1.812 -1.228 1.00 0.70 C ATOM 667 CD1 LEU A 44 13.377 1.398 -1.425 1.00 1.54 C ATOM 668 CD2 LEU A 44 11.738 2.479 0.127 1.00 1.29 C ATOM 0 H LEU A 44 12.276 4.315 -4.259 1.00 0.98 H new ATOM 0 HA LEU A 44 12.529 1.444 -3.689 1.00 0.82 H new ATOM 0 HB2 LEU A 44 11.887 3.745 -2.156 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.393 2.842 -2.316 1.00 0.83 H new ATOM 0 HG LEU A 44 11.310 0.914 -1.260 1.00 0.70 H new ATOM 0 HD11 LEU A 44 13.677 0.730 -0.618 1.00 1.54 H new ATOM 0 HD12 LEU A 44 13.482 0.884 -2.380 1.00 1.54 H new ATOM 0 HD13 LEU A 44 14.012 2.284 -1.418 1.00 1.54 H new ATOM 0 HD21 LEU A 44 12.060 1.799 0.915 1.00 1.29 H new ATOM 0 HD22 LEU A 44 12.333 3.392 0.169 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.685 2.725 0.268 1.00 1.29 H new ATOM 680 N LYS A 45 10.587 0.685 -4.933 1.00 0.70 N ATOM 681 CA LYS A 45 9.433 0.148 -5.620 1.00 0.68 C ATOM 682 C LYS A 45 8.478 -0.443 -4.595 1.00 0.60 C ATOM 683 O LYS A 45 8.714 -1.535 -4.072 1.00 0.76 O ATOM 684 CB LYS A 45 9.865 -0.919 -6.626 1.00 0.78 C ATOM 685 CG LYS A 45 8.875 -1.131 -7.756 1.00 1.13 C ATOM 686 CD LYS A 45 9.411 -2.119 -8.777 1.00 1.25 C ATOM 687 CE LYS A 45 9.144 -1.656 -10.198 1.00 1.41 C ATOM 688 NZ LYS A 45 8.383 -2.664 -10.978 1.00 1.75 N ATOM 0 H LYS A 45 11.323 0.002 -4.755 1.00 0.70 H new ATOM 0 HA LYS A 45 8.929 0.945 -6.167 1.00 0.68 H new ATOM 0 HB2 LYS A 45 10.830 -0.638 -7.048 1.00 0.78 H new ATOM 0 HB3 LYS A 45 10.010 -1.863 -6.101 1.00 0.78 H new ATOM 0 HG2 LYS A 45 7.931 -1.497 -7.352 1.00 1.13 H new ATOM 0 HG3 LYS A 45 8.665 -0.179 -8.243 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.484 -2.247 -8.631 1.00 1.25 H new ATOM 0 HD3 LYS A 45 8.949 -3.093 -8.618 1.00 1.25 H new ATOM 0 HE2 LYS A 45 8.587 -0.719 -10.175 1.00 1.41 H new ATOM 0 HE3 LYS A 45 10.091 -1.452 -10.697 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 8.963 -2.996 -11.775 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 8.144 -3.469 -10.365 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 7.509 -2.234 -11.342 1.00 1.75 H new ATOM 702 N PHE A 46 7.474 0.333 -4.219 1.00 0.46 N ATOM 703 CA PHE A 46 6.539 -0.084 -3.189 1.00 0.41 C ATOM 704 C PHE A 46 5.575 -1.124 -3.738 1.00 0.44 C ATOM 705 O PHE A 46 5.237 -1.108 -4.920 1.00 0.58 O ATOM 706 CB PHE A 46 5.767 1.117 -2.644 1.00 0.42 C ATOM 707 CG PHE A 46 6.443 1.778 -1.477 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.282 1.282 -0.193 1.00 0.41 C ATOM 709 CD2 PHE A 46 7.241 2.895 -1.665 1.00 0.45 C ATOM 710 CE1 PHE A 46 6.904 1.888 0.881 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.865 3.506 -0.594 1.00 0.48 C ATOM 712 CZ PHE A 46 7.693 2.997 0.685 1.00 0.47 C ATOM 0 H PHE A 46 7.286 1.255 -4.612 1.00 0.46 H new ATOM 0 HA PHE A 46 7.106 -0.530 -2.372 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.637 1.849 -3.441 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.771 0.793 -2.342 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.663 0.412 -0.030 1.00 0.41 H new ATOM 0 HD2 PHE A 46 7.377 3.293 -2.660 1.00 0.45 H new ATOM 0 HE1 PHE A 46 6.770 1.490 1.876 1.00 0.47 H new ATOM 0 HE2 PHE A 46 8.484 4.377 -0.752 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.178 3.471 1.525 1.00 0.47 H new ATOM 722 N PHE A 47 5.157 -2.039 -2.883 1.00 0.40 N ATOM 723 CA PHE A 47 4.238 -3.088 -3.281 1.00 0.44 C ATOM 724 C PHE A 47 2.984 -3.024 -2.436 1.00 0.39 C ATOM 725 O PHE A 47 3.053 -3.046 -1.208 1.00 0.59 O ATOM 726 CB PHE A 47 4.885 -4.467 -3.136 1.00 0.55 C ATOM 727 CG PHE A 47 6.115 -4.649 -3.971 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.125 -4.279 -5.306 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.262 -5.190 -3.419 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.260 -4.444 -6.073 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.397 -5.357 -4.183 1.00 0.75 C ATOM 732 CZ PHE A 47 8.396 -4.985 -5.510 1.00 0.73 C ATOM 0 H PHE A 47 5.441 -2.076 -1.904 1.00 0.40 H new ATOM 0 HA PHE A 47 3.980 -2.935 -4.329 1.00 0.44 H new ATOM 0 HB2 PHE A 47 5.141 -4.630 -2.089 1.00 0.55 H new ATOM 0 HB3 PHE A 47 4.156 -5.230 -3.408 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.236 -3.857 -5.751 1.00 0.60 H new ATOM 0 HD2 PHE A 47 7.268 -5.484 -2.380 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.258 -4.150 -7.112 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.287 -5.780 -3.742 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.285 -5.117 -6.109 1.00 0.73 H new ATOM 742 N LEU A 48 1.848 -2.913 -3.089 1.00 0.33 N ATOM 743 CA LEU A 48 0.586 -2.820 -2.385 1.00 0.35 C ATOM 744 C LEU A 48 -0.356 -3.915 -2.840 1.00 0.35 C ATOM 745 O LEU A 48 -0.392 -4.254 -4.020 1.00 0.57 O ATOM 746 CB LEU A 48 -0.061 -1.459 -2.636 1.00 0.44 C ATOM 747 CG LEU A 48 -0.276 -0.604 -1.392 1.00 0.72 C ATOM 748 CD1 LEU A 48 0.964 0.219 -1.101 1.00 1.02 C ATOM 749 CD2 LEU A 48 -1.485 0.299 -1.570 1.00 1.05 C ATOM 0 H LEU A 48 1.771 -2.885 -4.106 1.00 0.33 H new ATOM 0 HA LEU A 48 0.781 -2.936 -1.319 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.561 -0.902 -3.337 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -1.025 -1.616 -3.120 1.00 0.44 H new ATOM 0 HG LEU A 48 -0.463 -1.263 -0.544 1.00 0.72 H new ATOM 0 HD11 LEU A 48 0.798 0.825 -0.210 1.00 1.02 H new ATOM 0 HD12 LEU A 48 1.811 -0.446 -0.934 1.00 1.02 H new ATOM 0 HD13 LEU A 48 1.176 0.870 -1.949 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -1.624 0.902 -0.673 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -1.327 0.954 -2.427 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.373 -0.311 -1.738 1.00 1.05 H new ATOM 761 N ARG A 49 -1.165 -4.401 -1.914 1.00 0.26 N ATOM 762 CA ARG A 49 -2.222 -5.348 -2.231 1.00 0.27 C ATOM 763 C ARG A 49 -3.412 -5.062 -1.334 1.00 0.24 C ATOM 764 O ARG A 49 -3.255 -4.918 -0.128 1.00 0.30 O ATOM 765 CB ARG A 49 -1.775 -6.807 -2.055 1.00 0.34 C ATOM 766 CG ARG A 49 -0.406 -6.983 -1.421 1.00 0.44 C ATOM 767 CD ARG A 49 -0.278 -8.343 -0.751 1.00 0.75 C ATOM 768 NE ARG A 49 -0.126 -9.422 -1.727 1.00 1.07 N ATOM 769 CZ ARG A 49 0.211 -10.674 -1.415 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.379 -11.029 -0.147 1.00 1.64 N ATOM 771 NH2 ARG A 49 0.363 -11.575 -2.376 1.00 2.02 N ATOM 0 H ARG A 49 -1.109 -4.152 -0.926 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.488 -5.223 -3.281 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.512 -7.327 -1.443 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.772 -7.292 -3.031 1.00 0.34 H new ATOM 0 HG2 ARG A 49 0.366 -6.876 -2.183 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -0.239 -6.196 -0.686 1.00 0.44 H new ATOM 0 HD2 ARG A 49 0.581 -8.337 -0.080 1.00 0.75 H new ATOM 0 HD3 ARG A 49 -1.160 -8.530 -0.138 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.288 -9.203 -2.710 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.250 -10.342 0.596 1.00 1.64 H new ATOM 0 HH12 ARG A 49 0.637 -11.988 0.084 1.00 1.64 H new ATOM 0 HH21 ARG A 49 0.222 -11.310 -3.351 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.621 -12.533 -2.140 1.00 2.02 H new ATOM 785 N TYR A 50 -4.581 -4.897 -1.929 1.00 0.26 N ATOM 786 CA TYR A 50 -5.770 -4.533 -1.172 1.00 0.27 C ATOM 787 C TYR A 50 -6.879 -5.550 -1.392 1.00 0.28 C ATOM 788 O TYR A 50 -7.659 -5.452 -2.338 1.00 0.36 O ATOM 789 CB TYR A 50 -6.255 -3.127 -1.546 1.00 0.35 C ATOM 790 CG TYR A 50 -5.713 -2.595 -2.856 1.00 0.49 C ATOM 791 CD1 TYR A 50 -4.449 -2.020 -2.930 1.00 0.70 C ATOM 792 CD2 TYR A 50 -6.474 -2.650 -4.016 1.00 0.60 C ATOM 793 CE1 TYR A 50 -3.961 -1.520 -4.119 1.00 0.90 C ATOM 794 CE2 TYR A 50 -5.993 -2.147 -5.208 1.00 0.79 C ATOM 795 CZ TYR A 50 -4.736 -1.586 -5.254 1.00 0.90 C ATOM 796 OH TYR A 50 -4.255 -1.073 -6.437 1.00 1.13 O ATOM 0 H TYR A 50 -4.734 -5.009 -2.931 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.504 -4.531 -0.115 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.344 -3.135 -1.596 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.978 -2.438 -0.748 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -3.839 -1.964 -2.041 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -7.458 -3.094 -3.985 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -2.976 -1.079 -4.159 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -6.600 -2.193 -6.100 1.00 0.79 H new ATOM 0 HH TYR A 50 -4.193 -0.097 -6.369 1.00 1.13 H new ATOM 806 N ARG A 51 -6.889 -6.565 -0.550 1.00 0.29 N ATOM 807 CA ARG A 51 -7.857 -7.647 -0.651 1.00 0.34 C ATOM 808 C ARG A 51 -9.095 -7.363 0.200 1.00 0.29 C ATOM 809 O ARG A 51 -8.979 -7.010 1.372 1.00 0.33 O ATOM 810 CB ARG A 51 -7.192 -8.956 -0.207 1.00 0.46 C ATOM 811 CG ARG A 51 -8.154 -10.092 0.080 1.00 0.64 C ATOM 812 CD ARG A 51 -7.663 -10.959 1.229 1.00 1.25 C ATOM 813 NE ARG A 51 -7.771 -12.385 0.930 1.00 1.72 N ATOM 814 CZ ARG A 51 -8.638 -13.207 1.523 1.00 2.29 C ATOM 815 NH1 ARG A 51 -9.486 -12.742 2.435 1.00 2.62 N ATOM 816 NH2 ARG A 51 -8.663 -14.488 1.192 1.00 3.10 N ATOM 0 H ARG A 51 -6.230 -6.666 0.222 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.184 -7.733 -1.687 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.496 -9.275 -0.983 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -6.603 -8.762 0.689 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.136 -9.686 0.322 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -8.274 -10.704 -0.814 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -6.624 -10.713 1.449 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -8.241 -10.733 2.125 1.00 1.25 H new ATOM 0 HE ARG A 51 -7.146 -12.776 0.225 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -9.475 -11.753 2.684 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -10.147 -13.374 2.886 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -8.020 -14.845 0.485 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -9.325 -15.119 1.644 1.00 3.10 H new ATOM 830 N PRO A 52 -10.300 -7.531 -0.364 1.00 0.32 N ATOM 831 CA PRO A 52 -11.544 -7.392 0.393 1.00 0.38 C ATOM 832 C PRO A 52 -11.650 -8.465 1.480 1.00 0.44 C ATOM 833 O PRO A 52 -11.117 -9.564 1.325 1.00 0.51 O ATOM 834 CB PRO A 52 -12.647 -7.582 -0.656 1.00 0.52 C ATOM 835 CG PRO A 52 -11.970 -7.452 -1.979 1.00 0.65 C ATOM 836 CD PRO A 52 -10.547 -7.883 -1.769 1.00 0.45 C ATOM 0 HA PRO A 52 -11.609 -6.432 0.906 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.122 -8.558 -0.553 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -13.430 -6.833 -0.541 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.458 -8.075 -2.728 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.016 -6.424 -2.340 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -10.418 -8.951 -1.946 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -9.864 -7.363 -2.441 1.00 0.45 H new ATOM 844 N LEU A 53 -12.239 -8.097 2.609 1.00 0.50 N ATOM 845 CA LEU A 53 -12.300 -8.966 3.785 1.00 0.65 C ATOM 846 C LEU A 53 -12.731 -10.394 3.447 1.00 0.81 C ATOM 847 O LEU A 53 -12.159 -11.354 3.963 1.00 1.22 O ATOM 848 CB LEU A 53 -13.250 -8.368 4.824 1.00 0.70 C ATOM 849 CG LEU A 53 -12.661 -8.183 6.228 1.00 0.82 C ATOM 850 CD1 LEU A 53 -12.765 -9.472 7.027 1.00 1.32 C ATOM 851 CD2 LEU A 53 -11.213 -7.713 6.154 1.00 1.40 C ATOM 0 H LEU A 53 -12.688 -7.191 2.740 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.290 -9.026 4.190 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.593 -7.399 4.462 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -14.128 -9.009 4.899 1.00 0.70 H new ATOM 0 HG LEU A 53 -13.241 -7.414 6.739 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -12.342 -9.320 8.020 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -13.812 -9.759 7.119 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -12.216 -10.262 6.516 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -10.819 -7.589 7.163 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -10.617 -8.453 5.620 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -11.166 -6.760 5.627 1.00 1.40 H new ATOM 863 N ILE A 54 -13.775 -10.537 2.638 1.00 0.85 N ATOM 864 CA ILE A 54 -14.313 -11.859 2.330 1.00 1.01 C ATOM 865 C ILE A 54 -14.079 -12.254 0.872 1.00 1.08 C ATOM 866 O ILE A 54 -14.622 -13.253 0.400 1.00 1.34 O ATOM 867 CB ILE A 54 -15.824 -11.936 2.631 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.570 -10.817 1.901 1.00 1.12 C ATOM 869 CG2 ILE A 54 -16.071 -11.857 4.131 1.00 1.27 C ATOM 870 CD1 ILE A 54 -18.023 -11.134 1.626 1.00 1.46 C ATOM 0 H ILE A 54 -14.262 -9.763 2.187 1.00 0.85 H new ATOM 0 HA ILE A 54 -13.777 -12.558 2.971 1.00 1.01 H new ATOM 0 HB ILE A 54 -16.203 -12.893 2.271 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.512 -9.906 2.496 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -16.067 -10.613 0.956 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -17.142 -11.913 4.327 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -15.568 -12.687 4.627 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -15.680 -10.915 4.515 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -18.486 -10.295 1.107 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -18.089 -12.027 1.005 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -18.542 -11.309 2.568 1.00 1.46 H new ATOM 882 N LEU A 55 -13.224 -11.515 0.182 1.00 0.95 N ATOM 883 CA LEU A 55 -12.892 -11.827 -1.205 1.00 1.10 C ATOM 884 C LEU A 55 -11.390 -12.017 -1.352 1.00 1.12 C ATOM 885 O LEU A 55 -10.623 -11.101 -1.085 1.00 1.51 O ATOM 886 CB LEU A 55 -13.355 -10.699 -2.141 1.00 1.25 C ATOM 887 CG LEU A 55 -14.799 -10.786 -2.655 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.230 -12.230 -2.840 1.00 1.69 C ATOM 889 CD2 LEU A 55 -15.746 -10.056 -1.713 1.00 2.11 C ATOM 0 H LEU A 55 -12.746 -10.695 0.557 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.406 -12.748 -1.479 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -13.236 -9.750 -1.617 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.687 -10.674 -3.002 1.00 1.25 H new ATOM 0 HG LEU A 55 -14.840 -10.300 -3.630 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -16.257 -12.259 -3.205 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -14.574 -12.716 -3.563 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -15.169 -12.753 -1.886 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -16.765 -10.128 -2.093 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -15.695 -10.509 -0.723 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -15.457 -9.007 -1.647 1.00 2.11 H new ATOM 901 N ASP A 56 -10.974 -13.191 -1.802 1.00 1.38 N ATOM 902 CA ASP A 56 -9.558 -13.470 -2.007 1.00 1.54 C ATOM 903 C ASP A 56 -9.087 -12.841 -3.304 1.00 1.19 C ATOM 904 O ASP A 56 -9.018 -13.497 -4.342 1.00 1.44 O ATOM 905 CB ASP A 56 -9.280 -14.975 -2.026 1.00 2.08 C ATOM 906 CG ASP A 56 -7.793 -15.279 -2.007 1.00 2.58 C ATOM 907 OD1 ASP A 56 -7.163 -15.117 -0.941 1.00 2.90 O ATOM 908 OD2 ASP A 56 -7.246 -15.673 -3.060 1.00 2.89 O ATOM 0 H ASP A 56 -11.595 -13.966 -2.033 1.00 1.38 H new ATOM 0 HA ASP A 56 -9.008 -13.037 -1.172 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -9.757 -15.443 -1.164 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.729 -15.415 -2.916 1.00 2.08 H new ATOM 913 N GLN A 57 -8.868 -11.545 -3.248 1.00 0.83 N ATOM 914 CA GLN A 57 -8.467 -10.779 -4.415 1.00 0.93 C ATOM 915 C GLN A 57 -7.235 -9.944 -4.097 1.00 0.79 C ATOM 916 O GLN A 57 -7.327 -8.731 -3.906 1.00 0.82 O ATOM 917 CB GLN A 57 -9.612 -9.877 -4.879 1.00 1.30 C ATOM 918 CG GLN A 57 -10.371 -10.430 -6.074 1.00 1.81 C ATOM 919 CD GLN A 57 -11.693 -11.062 -5.687 1.00 2.19 C ATOM 920 OE1 GLN A 57 -12.659 -10.370 -5.366 1.00 2.89 O ATOM 921 NE2 GLN A 57 -11.744 -12.383 -5.713 1.00 2.43 N ATOM 0 H GLN A 57 -8.962 -10.991 -2.397 1.00 0.83 H new ATOM 0 HA GLN A 57 -8.223 -11.472 -5.220 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -10.307 -9.731 -4.052 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.211 -8.896 -5.135 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -10.553 -9.626 -6.787 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -9.753 -11.172 -6.580 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -10.921 -12.920 -5.985 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -12.607 -12.865 -5.461 1.00 2.43 H new ATOM 930 N TRP A 58 -6.091 -10.603 -3.994 1.00 0.73 N ATOM 931 CA TRP A 58 -4.852 -9.927 -3.692 1.00 0.63 C ATOM 932 C TRP A 58 -4.419 -9.072 -4.872 1.00 0.67 C ATOM 933 O TRP A 58 -4.076 -9.589 -5.934 1.00 0.76 O ATOM 934 CB TRP A 58 -3.769 -10.942 -3.329 1.00 0.71 C ATOM 935 CG TRP A 58 -3.566 -11.059 -1.852 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.232 -12.177 -1.145 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.702 -10.008 -0.898 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.136 -11.874 0.193 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.423 -10.544 0.368 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.030 -8.662 -1.000 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.461 -9.767 1.524 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.068 -7.898 0.139 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.787 -8.445 1.381 1.00 0.49 C ATOM 0 H TRP A 58 -6.002 -11.612 -4.117 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.007 -9.273 -2.834 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -4.039 -11.917 -3.734 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.830 -10.651 -3.800 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.067 -13.155 -1.573 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -2.891 -12.531 0.934 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.252 -8.223 -1.962 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.242 -10.190 2.493 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.322 -6.851 0.066 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.826 -7.814 2.256 1.00 0.49 H new ATOM 954 N GLN A 59 -4.539 -7.763 -4.713 1.00 0.70 N ATOM 955 CA GLN A 59 -4.273 -6.840 -5.811 1.00 0.79 C ATOM 956 C GLN A 59 -2.879 -6.238 -5.702 1.00 0.95 C ATOM 957 O GLN A 59 -2.709 -5.150 -5.164 1.00 1.64 O ATOM 958 CB GLN A 59 -5.324 -5.732 -5.838 1.00 1.06 C ATOM 959 CG GLN A 59 -5.767 -5.357 -7.240 1.00 1.36 C ATOM 960 CD GLN A 59 -6.665 -6.403 -7.868 1.00 1.68 C ATOM 961 OE1 GLN A 59 -7.884 -6.375 -7.698 1.00 2.39 O ATOM 962 NE2 GLN A 59 -6.076 -7.323 -8.610 1.00 2.14 N ATOM 0 H GLN A 59 -4.817 -7.315 -3.840 1.00 0.70 H new ATOM 0 HA GLN A 59 -4.325 -7.404 -6.742 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -6.193 -6.052 -5.263 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -4.922 -4.848 -5.343 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -6.294 -4.404 -7.207 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -4.888 -5.214 -7.868 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -5.063 -7.312 -8.727 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -6.634 -8.044 -9.067 1.00 2.14 H new ATOM 971 N HIS A 60 -1.895 -6.957 -6.223 1.00 0.80 N ATOM 972 CA HIS A 60 -0.506 -6.511 -6.195 1.00 1.11 C ATOM 973 C HIS A 60 -0.262 -5.424 -7.240 1.00 0.88 C ATOM 974 O HIS A 60 -0.291 -5.689 -8.441 1.00 1.12 O ATOM 975 CB HIS A 60 0.425 -7.710 -6.452 1.00 1.75 C ATOM 976 CG HIS A 60 1.901 -7.397 -6.443 1.00 1.87 C ATOM 977 ND1 HIS A 60 2.811 -8.099 -5.685 1.00 2.49 N ATOM 978 CD2 HIS A 60 2.627 -6.480 -7.131 1.00 2.11 C ATOM 979 CE1 HIS A 60 4.024 -7.626 -5.904 1.00 2.81 C ATOM 980 NE2 HIS A 60 3.941 -6.642 -6.779 1.00 2.58 N ATOM 0 H HIS A 60 -2.034 -7.861 -6.675 1.00 0.80 H new ATOM 0 HA HIS A 60 -0.294 -6.090 -5.212 1.00 1.11 H new ATOM 0 HB2 HIS A 60 0.227 -8.470 -5.696 1.00 1.75 H new ATOM 0 HB3 HIS A 60 0.169 -8.146 -7.418 1.00 1.75 H new ATOM 0 HD2 HIS A 60 2.239 -5.754 -7.830 1.00 2.11 H new ATOM 0 HE1 HIS A 60 4.933 -7.985 -5.444 1.00 2.81 H new ATOM 0 HE2 HIS A 60 4.724 -6.094 -7.134 1.00 2.58 H new ATOM 989 N VAL A 61 0.094 -4.238 -6.773 1.00 0.60 N ATOM 990 CA VAL A 61 0.482 -3.149 -7.658 1.00 0.59 C ATOM 991 C VAL A 61 1.882 -2.666 -7.307 1.00 0.51 C ATOM 992 O VAL A 61 2.255 -2.636 -6.132 1.00 0.55 O ATOM 993 CB VAL A 61 -0.498 -1.957 -7.581 1.00 0.87 C ATOM 994 CG1 VAL A 61 -1.705 -2.195 -8.472 1.00 1.32 C ATOM 995 CG2 VAL A 61 -0.931 -1.700 -6.147 1.00 1.48 C ATOM 0 H VAL A 61 0.123 -4.003 -5.781 1.00 0.60 H new ATOM 0 HA VAL A 61 0.460 -3.539 -8.675 1.00 0.59 H new ATOM 0 HB VAL A 61 0.023 -1.069 -7.940 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -2.382 -1.344 -8.403 1.00 1.32 H new ATOM 0 HG12 VAL A 61 -1.377 -2.315 -9.505 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -2.223 -3.098 -8.149 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -1.620 -0.856 -6.121 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -1.427 -2.587 -5.752 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -0.056 -1.473 -5.538 1.00 1.48 H new ATOM 1005 N GLU A 62 2.652 -2.298 -8.320 1.00 0.81 N ATOM 1006 CA GLU A 62 4.002 -1.791 -8.109 1.00 1.05 C ATOM 1007 C GLU A 62 3.985 -0.270 -8.088 1.00 0.71 C ATOM 1008 O GLU A 62 3.364 0.364 -8.943 1.00 0.80 O ATOM 1009 CB GLU A 62 4.950 -2.284 -9.206 1.00 1.61 C ATOM 1010 CG GLU A 62 4.729 -3.733 -9.604 1.00 2.42 C ATOM 1011 CD GLU A 62 5.864 -4.641 -9.178 1.00 3.17 C ATOM 1012 OE1 GLU A 62 7.033 -4.301 -9.455 1.00 3.63 O ATOM 1013 OE2 GLU A 62 5.598 -5.685 -8.548 1.00 3.60 O ATOM 0 H GLU A 62 2.366 -2.341 -9.298 1.00 0.81 H new ATOM 0 HA GLU A 62 4.362 -2.164 -7.150 1.00 1.05 H new ATOM 0 HB2 GLU A 62 4.830 -1.653 -10.087 1.00 1.61 H new ATOM 0 HB3 GLU A 62 5.978 -2.164 -8.865 1.00 1.61 H new ATOM 0 HG2 GLU A 62 3.799 -4.089 -9.160 1.00 2.42 H new ATOM 0 HG3 GLU A 62 4.609 -3.793 -10.686 1.00 2.42 H new ATOM 1020 N LEU A 63 4.585 0.308 -7.063 1.00 0.61 N ATOM 1021 CA LEU A 63 4.579 1.751 -6.889 1.00 0.71 C ATOM 1022 C LEU A 63 5.996 2.287 -6.717 1.00 0.75 C ATOM 1023 O LEU A 63 6.401 2.671 -5.617 1.00 0.94 O ATOM 1024 CB LEU A 63 3.720 2.133 -5.685 1.00 0.97 C ATOM 1025 CG LEU A 63 2.259 1.701 -5.776 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.927 0.714 -4.672 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.349 2.912 -5.705 1.00 1.18 C ATOM 0 H LEU A 63 5.085 -0.202 -6.335 1.00 0.61 H new ATOM 0 HA LEU A 63 4.153 2.200 -7.786 1.00 0.71 H new ATOM 0 HB2 LEU A 63 4.159 1.693 -4.790 1.00 0.97 H new ATOM 0 HB3 LEU A 63 3.757 3.215 -5.559 1.00 0.97 H new ATOM 0 HG LEU A 63 2.100 1.206 -6.734 1.00 0.92 H new ATOM 0 HD11 LEU A 63 0.881 0.417 -4.752 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.563 -0.166 -4.767 1.00 1.33 H new ATOM 0 HD13 LEU A 63 2.098 1.182 -3.702 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.310 2.590 -5.771 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.509 3.432 -4.761 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.574 3.585 -6.532 1.00 1.18 H new ATOM 1039 N SER A 64 6.732 2.343 -7.813 1.00 0.78 N ATOM 1040 CA SER A 64 8.079 2.885 -7.805 1.00 0.89 C ATOM 1041 C SER A 64 8.035 4.394 -7.588 1.00 0.82 C ATOM 1042 O SER A 64 7.440 5.123 -8.388 1.00 1.57 O ATOM 1043 CB SER A 64 8.767 2.548 -9.126 1.00 1.13 C ATOM 1044 OG SER A 64 8.097 1.476 -9.770 1.00 1.36 O ATOM 0 H SER A 64 6.416 2.017 -8.726 1.00 0.78 H new ATOM 0 HA SER A 64 8.647 2.441 -6.987 1.00 0.89 H new ATOM 0 HB2 SER A 64 8.773 3.424 -9.775 1.00 1.13 H new ATOM 0 HB3 SER A 64 9.807 2.279 -8.944 1.00 1.13 H new ATOM 0 HG SER A 64 8.517 1.302 -10.638 1.00 1.36 H new ATOM 1050 N ASN A 65 8.561 4.833 -6.446 1.00 1.03 N ATOM 1051 CA ASN A 65 8.527 6.243 -6.052 1.00 0.94 C ATOM 1052 C ASN A 65 7.089 6.710 -5.851 1.00 0.82 C ATOM 1053 O ASN A 65 6.733 7.842 -6.194 1.00 1.16 O ATOM 1054 CB ASN A 65 9.219 7.125 -7.097 1.00 1.03 C ATOM 1055 CG ASN A 65 10.680 7.370 -6.785 1.00 1.41 C ATOM 1056 OD1 ASN A 65 11.020 8.022 -5.796 1.00 2.04 O ATOM 1057 ND2 ASN A 65 11.556 6.857 -7.634 1.00 1.97 N ATOM 0 H ASN A 65 9.022 4.225 -5.769 1.00 1.03 H new ATOM 0 HA ASN A 65 9.066 6.336 -5.109 1.00 0.94 H new ATOM 0 HB2 ASN A 65 9.136 6.653 -8.076 1.00 1.03 H new ATOM 0 HB3 ASN A 65 8.700 8.082 -7.159 1.00 1.03 H new ATOM 0 HD21 ASN A 65 12.555 6.995 -7.482 1.00 1.97 H new ATOM 0 HD22 ASN A 65 11.232 6.323 -8.441 1.00 1.97 H new ATOM 1064 N GLY A 66 6.269 5.832 -5.291 1.00 0.69 N ATOM 1065 CA GLY A 66 4.885 6.164 -5.040 1.00 0.66 C ATOM 1066 C GLY A 66 4.536 6.031 -3.578 1.00 0.61 C ATOM 1067 O GLY A 66 5.050 5.144 -2.897 1.00 0.87 O ATOM 0 H GLY A 66 6.541 4.891 -5.005 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.690 7.185 -5.369 1.00 0.66 H new ATOM 0 HA3 GLY A 66 4.241 5.510 -5.629 1.00 0.66 H new ATOM 1071 N THR A 67 3.726 6.949 -3.077 1.00 0.40 N ATOM 1072 CA THR A 67 3.378 6.964 -1.667 1.00 0.41 C ATOM 1073 C THR A 67 1.944 7.452 -1.454 1.00 0.36 C ATOM 1074 O THR A 67 1.548 7.770 -0.334 1.00 0.39 O ATOM 1075 CB THR A 67 4.351 7.860 -0.878 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.943 8.833 -1.754 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.449 7.032 -0.225 1.00 0.70 C ATOM 0 H THR A 67 3.297 7.694 -3.627 1.00 0.40 H new ATOM 0 HA THR A 67 3.454 5.940 -1.300 1.00 0.41 H new ATOM 0 HB THR A 67 3.785 8.366 -0.096 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.559 9.400 -1.245 1.00 0.63 H new ATOM 0 HG21 THR A 67 6.122 7.689 0.325 1.00 0.70 H new ATOM 0 HG22 THR A 67 5.003 6.312 0.461 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.010 6.500 -0.994 1.00 0.70 H new ATOM 1085 N ALA A 68 1.169 7.502 -2.533 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.219 7.948 -2.462 1.00 0.47 C ATOM 1087 C ALA A 68 -1.070 7.227 -3.502 1.00 0.47 C ATOM 1088 O ALA A 68 -1.367 7.770 -4.568 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.305 9.456 -2.655 1.00 0.59 C ATOM 0 H ALA A 68 1.479 7.239 -3.468 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.607 7.704 -1.473 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.347 9.771 -2.599 1.00 0.59 H new ATOM 0 HB2 ALA A 68 0.268 9.956 -1.874 1.00 0.59 H new ATOM 0 HB3 ALA A 68 0.103 9.722 -3.630 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.449 5.999 -3.187 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.252 5.183 -4.089 1.00 0.45 C ATOM 1097 C HIS A 69 -3.746 5.361 -3.826 1.00 0.40 C ATOM 1098 O HIS A 69 -4.363 4.581 -3.100 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.870 3.708 -3.963 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.248 2.879 -5.156 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -1.957 3.242 -6.454 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -2.890 1.691 -5.239 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.403 2.315 -7.282 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -2.973 1.363 -6.569 1.00 0.75 N ATOM 0 H HIS A 69 -1.212 5.541 -2.307 1.00 0.43 H new ATOM 0 HA HIS A 69 -2.046 5.519 -5.105 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.794 3.633 -3.807 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.350 3.293 -3.077 1.00 0.52 H new ATOM 0 HD1 HIS A 69 -1.472 4.095 -6.732 1.00 1.03 H new ATOM 0 HD2 HIS A 69 -3.267 1.108 -4.412 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -2.316 2.333 -8.358 1.00 1.03 H new ATOM 1113 N THR A 70 -4.334 6.333 -4.489 1.00 0.41 N ATOM 1114 CA THR A 70 -5.769 6.552 -4.419 1.00 0.44 C ATOM 1115 C THR A 70 -6.500 5.545 -5.303 1.00 0.47 C ATOM 1116 O THR A 70 -6.311 5.525 -6.522 1.00 0.72 O ATOM 1117 CB THR A 70 -6.124 7.977 -4.873 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.055 8.876 -4.539 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.418 8.446 -4.226 1.00 0.84 C ATOM 0 H THR A 70 -3.838 6.992 -5.089 1.00 0.41 H new ATOM 0 HA THR A 70 -6.081 6.421 -3.383 1.00 0.44 H new ATOM 0 HB THR A 70 -6.265 7.969 -5.954 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.276 9.355 -3.713 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.648 9.457 -4.563 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.230 7.776 -4.509 1.00 0.84 H new ATOM 0 HG23 THR A 70 -7.305 8.442 -3.142 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.272 4.661 -4.687 1.00 0.36 N ATOM 1128 CA ILE A 71 -7.966 3.617 -5.431 1.00 0.44 C ATOM 1129 C ILE A 71 -9.476 3.710 -5.262 1.00 0.34 C ATOM 1130 O ILE A 71 -9.984 3.770 -4.145 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.512 2.203 -5.014 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.938 2.206 -3.594 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -6.493 1.664 -6.007 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -7.230 0.939 -2.820 1.00 0.70 C ATOM 0 H ILE A 71 -7.434 4.645 -3.680 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.706 3.781 -6.477 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.383 1.548 -5.019 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.859 2.348 -3.648 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -7.345 3.057 -3.048 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.180 0.665 -5.702 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -6.942 1.616 -6.999 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -5.626 2.324 -6.033 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -6.793 1.012 -1.824 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -8.308 0.805 -2.735 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.799 0.085 -3.343 1.00 0.70 H new ATOM 1146 N THR A 72 -10.183 3.650 -6.376 1.00 0.37 N ATOM 1147 CA THR A 72 -11.640 3.669 -6.383 1.00 0.33 C ATOM 1148 C THR A 72 -12.187 2.246 -6.514 1.00 0.31 C ATOM 1149 O THR A 72 -13.340 2.030 -6.883 1.00 0.33 O ATOM 1150 CB THR A 72 -12.153 4.535 -7.551 1.00 0.43 C ATOM 1151 OG1 THR A 72 -11.167 5.529 -7.884 1.00 1.33 O ATOM 1152 CG2 THR A 72 -13.463 5.214 -7.196 1.00 1.22 C ATOM 0 H THR A 72 -9.765 3.587 -7.304 1.00 0.37 H new ATOM 0 HA THR A 72 -11.987 4.097 -5.443 1.00 0.33 H new ATOM 0 HB THR A 72 -12.327 3.885 -8.408 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.418 5.971 -8.722 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.800 5.818 -8.039 1.00 1.22 H new ATOM 0 HG22 THR A 72 -14.214 4.458 -6.968 1.00 1.22 H new ATOM 0 HG23 THR A 72 -13.317 5.855 -6.326 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.322 1.282 -6.238 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.668 -0.134 -6.332 1.00 0.40 C ATOM 1162 C ASP A 73 -12.074 -0.690 -4.976 1.00 0.39 C ATOM 1163 O ASP A 73 -12.226 -1.902 -4.806 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.484 -0.931 -6.883 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.830 -1.698 -8.143 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.932 -2.277 -8.203 1.00 1.31 O ATOM 1167 OD2 ASP A 73 -10.016 -1.714 -9.091 1.00 1.21 O ATOM 0 H ASP A 73 -10.361 1.455 -5.943 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.515 -0.228 -7.011 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.659 -0.250 -7.092 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -10.136 -1.629 -6.122 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.080 0.175 -3.979 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.267 -0.256 -2.608 1.00 0.33 C ATOM 1174 C ALA A 74 -13.740 -0.404 -2.257 1.00 0.35 C ATOM 1175 O ALA A 74 -14.577 0.394 -2.675 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.587 0.714 -1.666 1.00 0.36 C ATOM 0 H ALA A 74 -11.957 1.181 -4.094 1.00 0.31 H new ATOM 0 HA ALA A 74 -11.811 -1.240 -2.499 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -11.732 0.384 -0.637 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.521 0.751 -1.889 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.018 1.707 -1.792 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.047 -1.421 -1.472 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.419 -1.672 -1.055 1.00 0.52 C ATOM 1184 C TYR A 75 -15.721 -0.957 0.255 1.00 0.46 C ATOM 1185 O TYR A 75 -15.055 -1.182 1.259 1.00 0.55 O ATOM 1186 CB TYR A 75 -15.666 -3.171 -0.885 1.00 0.71 C ATOM 1187 CG TYR A 75 -15.661 -3.956 -2.178 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -15.898 -3.336 -3.399 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -15.421 -5.324 -2.174 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -15.896 -4.057 -4.577 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -15.417 -6.051 -3.347 1.00 2.26 C ATOM 1192 CZ TYR A 75 -15.654 -5.414 -4.545 1.00 2.21 C ATOM 1193 OH TYR A 75 -15.654 -6.141 -5.717 1.00 2.86 O ATOM 0 H TYR A 75 -13.366 -2.088 -1.109 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.080 -1.288 -1.832 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -14.903 -3.580 -0.223 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -16.627 -3.315 -0.391 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -16.087 -2.273 -3.427 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -15.234 -5.827 -1.237 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -16.083 -3.561 -5.518 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -15.229 -7.114 -3.326 1.00 2.26 H new ATOM 0 HH TYR A 75 -15.466 -7.082 -5.518 1.00 2.86 H new ATOM 1203 N ALA A 76 -16.728 -0.101 0.241 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.146 0.613 1.439 1.00 0.57 C ATOM 1205 C ALA A 76 -17.898 -0.319 2.382 1.00 0.50 C ATOM 1206 O ALA A 76 -17.875 -0.149 3.603 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.019 1.795 1.064 1.00 0.74 C ATOM 0 H ALA A 76 -17.275 0.119 -0.591 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.257 0.980 1.952 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.326 2.322 1.968 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -17.457 2.473 0.422 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -18.902 1.441 0.533 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.579 -1.292 1.798 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.331 -2.251 2.573 1.00 0.55 C ATOM 1215 C GLY A 77 -18.517 -3.482 2.918 1.00 0.48 C ATOM 1216 O GLY A 77 -19.039 -4.429 3.499 1.00 0.58 O ATOM 0 H GLY A 77 -18.623 -1.434 0.789 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -19.678 -1.779 3.492 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.218 -2.550 2.014 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.249 -3.489 2.524 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.379 -4.632 2.768 1.00 0.49 C ATOM 1222 C LYS A 78 -14.975 -4.165 3.119 1.00 0.43 C ATOM 1223 O LYS A 78 -14.264 -3.631 2.269 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.333 -5.541 1.537 1.00 0.70 C ATOM 1225 CG LYS A 78 -16.441 -7.022 1.859 1.00 0.98 C ATOM 1226 CD LYS A 78 -17.812 -7.377 2.414 1.00 1.62 C ATOM 1227 CE LYS A 78 -18.919 -7.105 1.407 1.00 1.93 C ATOM 1228 NZ LYS A 78 -20.219 -6.819 2.072 1.00 2.32 N ATOM 0 H LYS A 78 -16.801 -2.715 2.034 1.00 0.44 H new ATOM 0 HA LYS A 78 -16.783 -5.197 3.608 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -17.145 -5.266 0.864 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.401 -5.363 1.001 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -16.251 -7.605 0.958 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -15.673 -7.294 2.583 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -17.828 -8.430 2.696 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -17.997 -6.801 3.321 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -18.639 -6.259 0.780 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -19.030 -7.967 0.749 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -20.942 -6.623 1.351 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -20.508 -7.643 2.637 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -20.116 -5.991 2.694 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.609 -4.345 4.384 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.308 -3.925 4.899 1.00 0.43 C ATOM 1244 C GLU A 79 -12.174 -4.424 4.014 1.00 0.37 C ATOM 1245 O GLU A 79 -12.183 -5.567 3.557 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.116 -4.436 6.331 1.00 0.59 C ATOM 1247 CG GLU A 79 -14.308 -4.176 7.238 1.00 1.13 C ATOM 1248 CD GLU A 79 -15.274 -5.342 7.281 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -16.047 -5.513 6.313 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -15.264 -6.091 8.282 1.00 2.05 O ATOM 0 H GLU A 79 -15.206 -4.787 5.083 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.284 -2.835 4.898 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -12.920 -5.508 6.302 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.233 -3.962 6.761 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -13.953 -3.966 8.247 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -14.834 -3.286 6.894 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.248 -3.534 3.708 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.151 -3.855 2.815 1.00 0.38 C ATOM 1259 C TYR A 80 -8.853 -4.016 3.594 1.00 0.41 C ATOM 1260 O TYR A 80 -8.468 -3.123 4.351 1.00 0.55 O ATOM 1261 CB TYR A 80 -9.990 -2.740 1.778 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.431 -3.121 0.386 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -11.674 -3.694 0.162 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -9.601 -2.906 -0.706 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.078 -4.041 -1.113 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -9.996 -3.251 -1.982 1.00 0.64 C ATOM 1267 CZ TYR A 80 -11.235 -3.819 -2.180 1.00 0.66 C ATOM 1268 OH TYR A 80 -11.629 -4.173 -3.452 1.00 0.85 O ATOM 0 H TYR A 80 -11.234 -2.579 4.067 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.376 -4.796 2.313 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.562 -1.871 2.103 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -8.943 -2.438 1.745 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.336 -3.872 0.997 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -8.629 -2.461 -0.554 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.050 -4.484 -1.272 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -9.338 -3.077 -2.820 1.00 0.64 H new ATOM 0 HH TYR A 80 -11.867 -3.367 -3.957 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.136 -5.107 3.341 1.00 0.31 N ATOM 1279 CA ILE A 81 -6.815 -5.282 3.921 1.00 0.33 C ATOM 1280 C ILE A 81 -5.756 -4.911 2.891 1.00 0.29 C ATOM 1281 O ILE A 81 -5.542 -5.618 1.903 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.565 -6.715 4.464 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.079 -6.903 4.801 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.030 -7.776 3.474 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -4.775 -8.193 5.528 1.00 1.11 C ATOM 0 H ILE A 81 -8.446 -5.874 2.744 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.752 -4.618 4.783 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.151 -6.837 5.375 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.500 -6.872 3.878 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.746 -6.065 5.414 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -6.840 -8.767 3.887 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.098 -7.659 3.290 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.485 -7.663 2.537 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -3.706 -8.253 5.731 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.325 -8.219 6.469 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.075 -9.039 4.909 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.192 -3.734 3.074 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.213 -3.193 2.155 1.00 0.30 C ATOM 1299 C ILE A 82 -2.817 -3.365 2.727 1.00 0.32 C ATOM 1300 O ILE A 82 -2.370 -2.572 3.555 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.478 -1.703 1.868 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.988 -1.451 1.758 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.758 -1.272 0.598 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.349 -0.051 1.318 1.00 0.64 C ATOM 0 H ILE A 82 -5.400 -3.125 3.866 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.294 -3.740 1.216 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.089 -1.107 2.693 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.414 -2.164 1.052 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.450 -1.647 2.726 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.955 -0.217 0.408 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.686 -1.425 0.718 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -4.117 -1.865 -0.243 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.433 0.045 1.265 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -5.955 0.669 2.036 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.919 0.144 0.336 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.175 -4.451 2.347 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.864 -4.778 2.869 1.00 0.34 C ATOM 1318 C GLN A 83 0.230 -4.131 2.032 1.00 0.29 C ATOM 1319 O GLN A 83 0.218 -4.214 0.802 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.673 -6.289 2.921 1.00 0.44 C ATOM 1321 CG GLN A 83 0.412 -6.713 3.893 1.00 0.60 C ATOM 1322 CD GLN A 83 -0.015 -7.867 4.780 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -1.018 -8.532 4.518 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.743 -8.118 5.835 1.00 0.64 N ATOM 0 H GLN A 83 -2.542 -5.125 1.675 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.794 -4.384 3.883 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.614 -6.760 3.206 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.424 -6.653 1.924 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.303 -7.000 3.334 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.687 -5.863 4.517 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.566 -7.545 6.019 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.504 -8.885 6.464 1.00 0.64 H new ATOM 1333 N VAL A 84 1.097 -3.395 2.707 1.00 0.28 N ATOM 1334 CA VAL A 84 2.138 -2.625 2.049 1.00 0.28 C ATOM 1335 C VAL A 84 3.522 -3.227 2.288 1.00 0.28 C ATOM 1336 O VAL A 84 3.890 -3.541 3.427 1.00 0.32 O ATOM 1337 CB VAL A 84 2.142 -1.166 2.547 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.917 -0.269 1.588 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.722 -0.652 2.727 1.00 0.51 C ATOM 0 H VAL A 84 1.099 -3.315 3.724 1.00 0.28 H new ATOM 0 HA VAL A 84 1.919 -2.650 0.982 1.00 0.28 H new ATOM 0 HB VAL A 84 2.640 -1.143 3.516 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.907 0.756 1.959 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.947 -0.618 1.515 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.452 -0.302 0.603 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.750 0.379 3.079 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.196 -0.696 1.774 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.201 -1.271 3.458 1.00 0.51 H new ATOM 1349 N ALA A 85 4.305 -3.285 1.216 1.00 0.31 N ATOM 1350 CA ALA A 85 5.698 -3.713 1.265 1.00 0.36 C ATOM 1351 C ALA A 85 6.522 -2.845 0.313 1.00 0.30 C ATOM 1352 O ALA A 85 5.991 -1.901 -0.272 1.00 0.37 O ATOM 1353 CB ALA A 85 5.821 -5.184 0.896 1.00 0.49 C ATOM 0 H ALA A 85 3.987 -3.034 0.280 1.00 0.31 H new ATOM 0 HA ALA A 85 6.077 -3.594 2.280 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.868 -5.483 0.939 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.243 -5.785 1.598 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.440 -5.339 -0.113 1.00 0.49 H new ATOM 1359 N ALA A 86 7.799 -3.167 0.130 1.00 0.35 N ATOM 1360 CA ALA A 86 8.655 -2.391 -0.764 1.00 0.45 C ATOM 1361 C ALA A 86 9.868 -3.193 -1.221 1.00 0.40 C ATOM 1362 O ALA A 86 10.052 -4.342 -0.817 1.00 0.55 O ATOM 1363 CB ALA A 86 9.105 -1.110 -0.077 1.00 0.70 C ATOM 0 H ALA A 86 8.262 -3.954 0.585 1.00 0.35 H new ATOM 0 HA ALA A 86 8.069 -2.141 -1.649 1.00 0.45 H new ATOM 0 HB1 ALA A 86 9.742 -0.539 -0.752 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.232 -0.514 0.189 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.663 -1.358 0.826 1.00 0.70 H new ATOM 1369 N LYS A 87 10.681 -2.574 -2.076 1.00 0.46 N ATOM 1370 CA LYS A 87 11.893 -3.192 -2.608 1.00 0.49 C ATOM 1371 C LYS A 87 12.739 -2.127 -3.304 1.00 0.61 C ATOM 1372 O LYS A 87 12.194 -1.218 -3.928 1.00 0.80 O ATOM 1373 CB LYS A 87 11.528 -4.324 -3.587 1.00 0.62 C ATOM 1374 CG LYS A 87 12.413 -4.413 -4.826 1.00 0.69 C ATOM 1375 CD LYS A 87 11.607 -4.208 -6.099 1.00 0.91 C ATOM 1376 CE LYS A 87 12.504 -3.926 -7.294 1.00 1.08 C ATOM 1377 NZ LYS A 87 12.084 -4.700 -8.491 1.00 1.33 N ATOM 0 H LYS A 87 10.517 -1.628 -2.420 1.00 0.46 H new ATOM 0 HA LYS A 87 12.470 -3.625 -1.791 1.00 0.49 H new ATOM 0 HB2 LYS A 87 11.576 -5.274 -3.055 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.494 -4.189 -3.906 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.201 -3.662 -4.767 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.903 -5.386 -4.856 1.00 0.69 H new ATOM 0 HD2 LYS A 87 11.007 -5.096 -6.296 1.00 0.91 H new ATOM 0 HD3 LYS A 87 10.913 -3.379 -5.961 1.00 0.91 H new ATOM 0 HE2 LYS A 87 12.481 -2.861 -7.523 1.00 1.08 H new ATOM 0 HE3 LYS A 87 13.535 -4.176 -7.042 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 12.719 -4.482 -9.286 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 12.130 -5.717 -8.280 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 11.109 -4.443 -8.746 1.00 1.33 H new ATOM 1391 N ASP A 88 14.058 -2.243 -3.214 1.00 0.67 N ATOM 1392 CA ASP A 88 14.943 -1.299 -3.892 1.00 0.81 C ATOM 1393 C ASP A 88 14.994 -1.610 -5.382 1.00 0.90 C ATOM 1394 O ASP A 88 15.003 -2.774 -5.785 1.00 1.00 O ATOM 1395 CB ASP A 88 16.352 -1.343 -3.299 1.00 0.96 C ATOM 1396 CG ASP A 88 17.361 -0.549 -4.115 1.00 1.22 C ATOM 1397 OD1 ASP A 88 17.013 0.533 -4.627 1.00 1.53 O ATOM 1398 OD2 ASP A 88 18.513 -1.006 -4.244 1.00 1.42 O ATOM 0 H ASP A 88 14.536 -2.972 -2.685 1.00 0.67 H new ATOM 0 HA ASP A 88 14.544 -0.295 -3.748 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.325 -0.951 -2.282 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.681 -2.380 -3.233 1.00 0.96 H new ATOM 1403 N ASN A 89 14.959 -0.567 -6.195 1.00 1.00 N ATOM 1404 CA ASN A 89 14.940 -0.720 -7.641 1.00 1.17 C ATOM 1405 C ASN A 89 16.325 -1.063 -8.179 1.00 1.27 C ATOM 1406 O ASN A 89 16.454 -1.634 -9.264 1.00 1.46 O ATOM 1407 CB ASN A 89 14.426 0.555 -8.305 1.00 1.30 C ATOM 1408 CG ASN A 89 13.290 0.288 -9.270 1.00 1.53 C ATOM 1409 OD1 ASN A 89 12.607 -0.731 -9.183 1.00 1.91 O ATOM 1410 ND2 ASN A 89 13.083 1.202 -10.204 1.00 1.75 N ATOM 0 H ASN A 89 14.943 0.402 -5.875 1.00 1.00 H new ATOM 0 HA ASN A 89 14.267 -1.544 -7.879 1.00 1.17 H new ATOM 0 HB2 ASN A 89 14.090 1.251 -7.536 1.00 1.30 H new ATOM 0 HB3 ASN A 89 15.245 1.039 -8.837 1.00 1.30 H new ATOM 0 HD21 ASN A 89 12.335 1.075 -10.885 1.00 1.75 H new ATOM 0 HD22 ASN A 89 13.672 2.034 -10.243 1.00 1.75 H new ATOM 1417 N GLU A 90 17.356 -0.731 -7.416 1.00 1.29 N ATOM 1418 CA GLU A 90 18.724 -1.034 -7.814 1.00 1.46 C ATOM 1419 C GLU A 90 19.081 -2.461 -7.421 1.00 1.44 C ATOM 1420 O GLU A 90 19.179 -3.347 -8.272 1.00 1.57 O ATOM 1421 CB GLU A 90 19.699 -0.044 -7.175 1.00 1.60 C ATOM 1422 CG GLU A 90 19.972 1.171 -8.044 1.00 1.82 C ATOM 1423 CD GLU A 90 20.179 0.804 -9.498 1.00 1.96 C ATOM 1424 OE1 GLU A 90 21.214 0.183 -9.816 1.00 2.17 O ATOM 1425 OE2 GLU A 90 19.303 1.119 -10.329 1.00 2.26 O ATOM 0 H GLU A 90 17.272 -0.252 -6.519 1.00 1.29 H new ATOM 0 HA GLU A 90 18.801 -0.941 -8.897 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.297 0.285 -6.217 1.00 1.60 H new ATOM 0 HB3 GLU A 90 20.640 -0.553 -6.967 1.00 1.60 H new ATOM 0 HG2 GLU A 90 19.138 1.868 -7.963 1.00 1.82 H new ATOM 0 HG3 GLU A 90 20.857 1.689 -7.673 1.00 1.82 H new ATOM 1432 N ILE A 91 19.158 -2.701 -6.127 1.00 1.38 N ATOM 1433 CA ILE A 91 19.376 -4.035 -5.606 1.00 1.45 C ATOM 1434 C ILE A 91 18.029 -4.680 -5.302 1.00 1.48 C ATOM 1435 O ILE A 91 17.384 -4.355 -4.302 1.00 1.79 O ATOM 1436 CB ILE A 91 20.269 -4.003 -4.342 1.00 1.63 C ATOM 1437 CG1 ILE A 91 21.684 -3.547 -4.713 1.00 2.02 C ATOM 1438 CG2 ILE A 91 20.319 -5.370 -3.675 1.00 1.69 C ATOM 1439 CD1 ILE A 91 22.209 -2.416 -3.857 1.00 2.51 C ATOM 0 H ILE A 91 19.072 -1.980 -5.410 1.00 1.38 H new ATOM 0 HA ILE A 91 19.899 -4.628 -6.357 1.00 1.45 H new ATOM 0 HB ILE A 91 19.837 -3.295 -3.635 1.00 1.63 H new ATOM 0 HG12 ILE A 91 22.362 -4.397 -4.631 1.00 2.02 H new ATOM 0 HG13 ILE A 91 21.692 -3.233 -5.757 1.00 2.02 H new ATOM 0 HG21 ILE A 91 20.953 -5.320 -2.790 1.00 1.69 H new ATOM 0 HG22 ILE A 91 19.312 -5.670 -3.384 1.00 1.69 H new ATOM 0 HG23 ILE A 91 20.728 -6.101 -4.373 1.00 1.69 H new ATOM 0 HD11 ILE A 91 23.215 -2.151 -4.182 1.00 2.51 H new ATOM 0 HD12 ILE A 91 21.555 -1.550 -3.958 1.00 2.51 H new ATOM 0 HD13 ILE A 91 22.236 -2.731 -2.814 1.00 2.51 H new ATOM 1451 N GLY A 92 17.551 -5.479 -6.252 1.00 1.53 N ATOM 1452 CA GLY A 92 16.220 -6.057 -6.170 1.00 1.75 C ATOM 1453 C GLY A 92 16.033 -6.962 -4.972 1.00 1.30 C ATOM 1454 O GLY A 92 16.236 -8.174 -5.059 1.00 1.27 O ATOM 0 H GLY A 92 18.071 -5.740 -7.090 1.00 1.53 H new ATOM 0 HA2 GLY A 92 15.485 -5.254 -6.128 1.00 1.75 H new ATOM 0 HA3 GLY A 92 16.021 -6.624 -7.079 1.00 1.75 H new ATOM 1458 N THR A 93 15.631 -6.373 -3.862 1.00 1.16 N ATOM 1459 CA THR A 93 15.399 -7.110 -2.635 1.00 0.92 C ATOM 1460 C THR A 93 14.017 -6.784 -2.081 1.00 0.81 C ATOM 1461 O THR A 93 13.762 -5.656 -1.658 1.00 0.82 O ATOM 1462 CB THR A 93 16.469 -6.771 -1.587 1.00 1.19 C ATOM 1463 OG1 THR A 93 17.703 -6.448 -2.242 1.00 1.75 O ATOM 1464 CG2 THR A 93 16.688 -7.928 -0.629 1.00 1.62 C ATOM 0 H THR A 93 15.456 -5.371 -3.786 1.00 1.16 H new ATOM 0 HA THR A 93 15.455 -8.175 -2.861 1.00 0.92 H new ATOM 0 HB THR A 93 16.120 -5.913 -1.012 1.00 1.19 H new ATOM 0 HG1 THR A 93 18.162 -7.274 -2.501 1.00 1.75 H new ATOM 0 HG21 THR A 93 17.451 -7.657 0.101 1.00 1.62 H new ATOM 0 HG22 THR A 93 15.755 -8.154 -0.112 1.00 1.62 H new ATOM 0 HG23 THR A 93 17.015 -8.805 -1.187 1.00 1.62 H new ATOM 1472 N TRP A 94 13.105 -7.737 -2.199 1.00 0.78 N ATOM 1473 CA TRP A 94 11.721 -7.529 -1.797 1.00 0.75 C ATOM 1474 C TRP A 94 11.570 -7.666 -0.285 1.00 0.74 C ATOM 1475 O TRP A 94 12.000 -8.662 0.299 1.00 0.89 O ATOM 1476 CB TRP A 94 10.808 -8.546 -2.497 1.00 0.82 C ATOM 1477 CG TRP A 94 10.704 -8.367 -3.985 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.698 -7.998 -4.845 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.534 -8.566 -4.788 1.00 1.04 C ATOM 1480 NE1 TRP A 94 11.219 -7.950 -6.130 1.00 1.13 N ATOM 1481 CE2 TRP A 94 9.892 -8.293 -6.123 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.217 -8.946 -4.510 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 8.986 -8.389 -7.172 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 7.317 -9.040 -5.555 1.00 1.55 C ATOM 1485 CH2 TRP A 94 7.705 -8.762 -6.871 1.00 1.63 C ATOM 0 H TRP A 94 13.299 -8.666 -2.572 1.00 0.78 H new ATOM 0 HA TRP A 94 11.431 -6.520 -2.089 1.00 0.75 H new ATOM 0 HB2 TRP A 94 11.177 -9.550 -2.289 1.00 0.82 H new ATOM 0 HB3 TRP A 94 9.810 -8.477 -2.065 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.715 -7.776 -4.556 1.00 0.93 H new ATOM 0 HE1 TRP A 94 11.762 -7.700 -6.956 1.00 1.13 H new ATOM 0 HE3 TRP A 94 7.909 -9.162 -3.498 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 9.283 -8.177 -8.189 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.297 -9.333 -5.353 1.00 1.55 H new ATOM 0 HH2 TRP A 94 6.978 -8.844 -7.665 1.00 1.63 H new ATOM 1496 N SER A 95 10.918 -6.696 0.338 1.00 0.65 N ATOM 1497 CA SER A 95 10.632 -6.763 1.763 1.00 0.65 C ATOM 1498 C SER A 95 9.438 -7.677 2.013 1.00 0.63 C ATOM 1499 O SER A 95 8.764 -8.110 1.071 1.00 0.72 O ATOM 1500 CB SER A 95 10.340 -5.366 2.324 1.00 0.68 C ATOM 1501 OG SER A 95 11.344 -4.439 1.948 1.00 0.94 O ATOM 0 H SER A 95 10.577 -5.852 -0.122 1.00 0.65 H new ATOM 0 HA SER A 95 11.509 -7.166 2.270 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.371 -5.022 1.962 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.276 -5.415 3.411 1.00 0.68 H new ATOM 0 HG SER A 95 11.603 -3.904 2.727 1.00 0.94 H new ATOM 1507 N ASP A 96 9.160 -7.950 3.275 1.00 0.69 N ATOM 1508 CA ASP A 96 8.013 -8.767 3.637 1.00 0.74 C ATOM 1509 C ASP A 96 6.746 -7.925 3.604 1.00 0.63 C ATOM 1510 O ASP A 96 6.798 -6.706 3.783 1.00 0.53 O ATOM 1511 CB ASP A 96 8.202 -9.380 5.029 1.00 0.94 C ATOM 1512 CG ASP A 96 7.254 -10.535 5.294 1.00 1.28 C ATOM 1513 OD1 ASP A 96 6.582 -10.992 4.346 1.00 1.57 O ATOM 1514 OD2 ASP A 96 7.177 -10.993 6.456 1.00 1.94 O ATOM 0 H ASP A 96 9.711 -7.619 4.067 1.00 0.69 H new ATOM 0 HA ASP A 96 7.923 -9.578 2.914 1.00 0.74 H new ATOM 0 HB2 ASP A 96 9.230 -9.728 5.132 1.00 0.94 H new ATOM 0 HB3 ASP A 96 8.049 -8.609 5.785 1.00 0.94 H new ATOM 1519 N TRP A 97 5.612 -8.586 3.422 1.00 0.76 N ATOM 1520 CA TRP A 97 4.317 -7.922 3.437 1.00 0.73 C ATOM 1521 C TRP A 97 4.009 -7.453 4.851 1.00 0.60 C ATOM 1522 O TRP A 97 3.656 -8.255 5.714 1.00 0.76 O ATOM 1523 CB TRP A 97 3.237 -8.882 2.934 1.00 0.99 C ATOM 1524 CG TRP A 97 3.480 -9.347 1.533 1.00 1.31 C ATOM 1525 CD1 TRP A 97 3.836 -10.603 1.135 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.389 -8.558 0.342 1.00 1.05 C ATOM 1527 NE1 TRP A 97 3.978 -10.642 -0.230 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.705 -9.399 -0.741 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.072 -7.223 0.086 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.711 -8.948 -2.057 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.079 -6.774 -1.220 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.396 -7.635 -2.277 1.00 1.26 C ATOM 0 H TRP A 97 5.563 -9.592 3.261 1.00 0.76 H new ATOM 0 HA TRP A 97 4.338 -7.055 2.777 1.00 0.73 H new ATOM 0 HB2 TRP A 97 3.190 -9.747 3.596 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.267 -8.388 2.985 1.00 0.99 H new ATOM 0 HD1 TRP A 97 3.984 -11.443 1.797 1.00 2.12 H new ATOM 0 HE1 TRP A 97 4.243 -11.462 -0.775 1.00 2.24 H new ATOM 0 HE3 TRP A 97 2.825 -6.552 0.896 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.955 -9.610 -2.875 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 2.836 -5.743 -1.429 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.392 -7.255 -3.288 1.00 1.26 H new ATOM 1543 N SER A 98 4.384 -6.220 5.135 1.00 0.41 N ATOM 1544 CA SER A 98 4.406 -5.737 6.500 1.00 0.42 C ATOM 1545 C SER A 98 3.084 -5.101 6.926 1.00 0.38 C ATOM 1546 O SER A 98 2.349 -5.674 7.729 1.00 0.46 O ATOM 1547 CB SER A 98 5.552 -4.739 6.660 1.00 0.51 C ATOM 1548 OG SER A 98 6.194 -4.502 5.414 1.00 0.50 O ATOM 0 H SER A 98 4.677 -5.536 4.438 1.00 0.41 H new ATOM 0 HA SER A 98 4.559 -6.596 7.153 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.169 -3.801 7.061 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.276 -5.122 7.380 1.00 0.51 H new ATOM 0 HG SER A 98 6.472 -5.356 5.022 1.00 0.50 H new ATOM 1554 N VAL A 99 2.845 -3.870 6.493 1.00 0.33 N ATOM 1555 CA VAL A 99 1.714 -3.103 7.008 1.00 0.34 C ATOM 1556 C VAL A 99 0.405 -3.472 6.326 1.00 0.32 C ATOM 1557 O VAL A 99 0.130 -3.040 5.213 1.00 0.34 O ATOM 1558 CB VAL A 99 1.942 -1.586 6.874 1.00 0.42 C ATOM 1559 CG1 VAL A 99 0.850 -0.823 7.611 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.316 -1.205 7.404 1.00 1.32 C ATOM 0 H VAL A 99 3.410 -3.385 5.796 1.00 0.33 H new ATOM 0 HA VAL A 99 1.640 -3.362 8.064 1.00 0.34 H new ATOM 0 HB VAL A 99 1.898 -1.318 5.818 1.00 0.42 H new ATOM 0 HG11 VAL A 99 1.022 0.248 7.509 1.00 1.21 H new ATOM 0 HG12 VAL A 99 -0.121 -1.076 7.186 1.00 1.21 H new ATOM 0 HG13 VAL A 99 0.866 -1.094 8.667 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.460 -0.129 7.301 1.00 1.32 H new ATOM 0 HG22 VAL A 99 3.390 -1.482 8.455 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.084 -1.730 6.835 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.432 -4.198 7.049 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.769 -4.536 6.579 1.00 0.41 C ATOM 1572 C ALA A 100 -2.783 -3.492 7.044 1.00 0.43 C ATOM 1573 O ALA A 100 -3.318 -3.585 8.149 1.00 0.61 O ATOM 1574 CB ALA A 100 -2.164 -5.921 7.074 1.00 0.50 C ATOM 0 H ALA A 100 -0.208 -4.568 7.973 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.763 -4.543 5.489 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -3.165 -6.163 6.717 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.456 -6.658 6.696 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -2.155 -5.934 8.164 1.00 0.50 H new ATOM 1580 N ALA A 101 -3.039 -2.498 6.206 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.985 -1.437 6.539 1.00 0.36 C ATOM 1582 C ALA A 101 -5.425 -1.911 6.353 1.00 0.41 C ATOM 1583 O ALA A 101 -5.751 -2.542 5.354 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.718 -0.208 5.684 1.00 0.42 C ATOM 0 H ALA A 101 -2.605 -2.402 5.288 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.848 -1.174 7.588 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.430 0.576 5.942 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.704 0.148 5.866 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.828 -0.466 4.631 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.279 -1.616 7.321 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.682 -2.014 7.251 1.00 0.57 C ATOM 1592 C HIS A 102 -8.574 -0.786 7.192 1.00 0.50 C ATOM 1593 O HIS A 102 -8.715 -0.069 8.181 1.00 0.76 O ATOM 1594 CB HIS A 102 -8.061 -2.870 8.461 1.00 0.95 C ATOM 1595 CG HIS A 102 -7.676 -4.307 8.319 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -6.844 -4.952 9.204 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -8.001 -5.222 7.377 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -6.669 -6.198 8.811 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -7.361 -6.390 7.706 1.00 2.00 N ATOM 0 H HIS A 102 -6.028 -1.102 8.166 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.825 -2.604 6.346 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -7.582 -2.460 9.350 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -9.137 -2.804 8.620 1.00 0.95 H new ATOM 0 HD1 HIS A 102 -6.427 -4.532 10.035 1.00 1.60 H new ATOM 0 HD2 HIS A 102 -8.645 -5.063 6.525 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -6.061 -6.937 9.311 1.00 2.18 H new ATOM 1608 N ALA A 103 -9.137 -0.516 6.025 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.976 0.661 5.848 1.00 0.54 C ATOM 1610 C ALA A 103 -11.167 0.368 4.948 1.00 0.36 C ATOM 1611 O ALA A 103 -11.296 -0.730 4.406 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.160 1.812 5.283 1.00 0.91 C ATOM 0 H ALA A 103 -9.030 -1.092 5.190 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.360 0.944 6.828 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.801 2.685 5.156 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.349 2.054 5.969 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.744 1.524 4.317 1.00 0.91 H new ATOM 1618 N THR A 104 -12.050 1.351 4.830 1.00 0.41 N ATOM 1619 CA THR A 104 -13.268 1.218 4.046 1.00 0.38 C ATOM 1620 C THR A 104 -13.712 2.590 3.539 1.00 0.41 C ATOM 1621 O THR A 104 -13.798 3.532 4.324 1.00 0.51 O ATOM 1622 CB THR A 104 -14.397 0.610 4.900 1.00 0.50 C ATOM 1623 OG1 THR A 104 -14.001 0.587 6.282 1.00 0.73 O ATOM 1624 CG2 THR A 104 -14.732 -0.798 4.440 1.00 0.70 C ATOM 0 H THR A 104 -11.941 2.262 5.275 1.00 0.41 H new ATOM 0 HA THR A 104 -13.062 0.559 3.202 1.00 0.38 H new ATOM 0 HB THR A 104 -15.286 1.229 4.783 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.722 0.201 6.822 1.00 0.73 H new ATOM 0 HG21 THR A 104 -15.532 -1.203 5.060 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.057 -0.773 3.400 1.00 0.70 H new ATOM 0 HG23 THR A 104 -13.848 -1.430 4.530 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.896 2.759 2.216 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.261 4.058 1.643 1.00 0.38 C ATOM 1634 C PRO A 105 -15.640 4.540 2.106 1.00 0.40 C ATOM 1635 O PRO A 105 -16.286 3.900 2.947 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.242 3.837 0.126 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.178 2.360 -0.089 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.654 1.739 1.183 1.00 0.40 C ATOM 0 HA PRO A 105 -13.568 4.835 1.965 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.134 4.258 -0.338 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.383 4.332 -0.327 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -15.165 1.965 -0.331 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.525 2.123 -0.929 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.173 0.809 1.414 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -12.594 1.500 1.101 1.00 0.40 H new ATOM 1646 N TRP A 106 -16.053 5.703 1.601 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.318 6.317 1.994 1.00 0.41 C ATOM 1648 C TRP A 106 -18.476 5.359 1.759 1.00 0.48 C ATOM 1649 O TRP A 106 -18.789 5.007 0.626 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.531 7.618 1.211 1.00 0.51 C ATOM 1651 CG TRP A 106 -18.837 8.302 1.498 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.503 8.349 2.691 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.631 9.045 0.568 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -20.666 9.067 2.554 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -20.766 9.508 1.260 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.492 9.364 -0.787 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -21.754 10.271 0.643 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.473 10.122 -1.397 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.591 10.568 -0.683 1.00 1.07 C ATOM 0 H TRP A 106 -15.524 6.241 0.914 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.280 6.547 3.059 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.716 8.305 1.440 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.474 7.401 0.144 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -19.164 7.889 3.607 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.345 9.243 3.295 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -18.633 9.024 -1.346 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -22.618 10.616 1.191 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -20.375 10.375 -2.442 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.340 11.159 -1.189 1.00 1.07 H new ATOM 1670 N THR A 107 -19.084 4.909 2.839 1.00 0.60 N ATOM 1671 CA THR A 107 -20.179 3.968 2.750 1.00 0.75 C ATOM 1672 C THR A 107 -21.479 4.686 2.423 1.00 0.82 C ATOM 1673 O THR A 107 -22.208 5.131 3.312 1.00 0.89 O ATOM 1674 CB THR A 107 -20.315 3.166 4.050 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.021 3.042 4.658 1.00 1.19 O ATOM 1676 CG2 THR A 107 -20.884 1.783 3.774 1.00 1.19 C ATOM 0 H THR A 107 -18.836 5.182 3.790 1.00 0.60 H new ATOM 0 HA THR A 107 -19.962 3.270 1.942 1.00 0.75 H new ATOM 0 HB THR A 107 -20.997 3.689 4.720 1.00 0.96 H new ATOM 0 HG1 THR A 107 -19.099 2.532 5.491 1.00 1.19 H new ATOM 0 HG21 THR A 107 -20.972 1.232 4.710 1.00 1.19 H new ATOM 0 HG22 THR A 107 -21.868 1.879 3.316 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.220 1.245 3.097 1.00 1.19 H new ATOM 1684 N GLU A 108 -21.700 4.874 1.131 1.00 1.03 N ATOM 1685 CA GLU A 108 -22.860 5.592 0.640 1.00 1.27 C ATOM 1686 C GLU A 108 -24.122 4.751 0.792 1.00 1.32 C ATOM 1687 O GLU A 108 -24.480 3.980 -0.098 1.00 1.87 O ATOM 1688 CB GLU A 108 -22.651 5.967 -0.826 1.00 1.77 C ATOM 1689 CG GLU A 108 -23.039 7.398 -1.143 1.00 2.11 C ATOM 1690 CD GLU A 108 -24.525 7.627 -1.019 1.00 2.75 C ATOM 1691 OE1 GLU A 108 -25.268 7.217 -1.932 1.00 3.11 O ATOM 1692 OE2 GLU A 108 -24.957 8.213 -0.005 1.00 3.25 O ATOM 0 H GLU A 108 -21.080 4.533 0.397 1.00 1.03 H new ATOM 0 HA GLU A 108 -22.983 6.500 1.230 1.00 1.27 H new ATOM 0 HB2 GLU A 108 -21.603 5.816 -1.086 1.00 1.77 H new ATOM 0 HB3 GLU A 108 -23.235 5.293 -1.453 1.00 1.77 H new ATOM 0 HG2 GLU A 108 -22.512 8.073 -0.469 1.00 2.11 H new ATOM 0 HG3 GLU A 108 -22.719 7.644 -2.155 1.00 2.11 H new ATOM 1699 N GLU A 109 -24.800 4.924 1.910 1.00 1.51 N ATOM 1700 CA GLU A 109 -26.032 4.204 2.179 1.00 1.77 C ATOM 1701 C GLU A 109 -26.980 5.091 2.969 1.00 2.52 C ATOM 1702 O GLU A 109 -27.998 4.579 3.473 1.00 3.20 O ATOM 1703 CB GLU A 109 -25.744 2.911 2.949 1.00 2.25 C ATOM 1704 CG GLU A 109 -24.739 3.080 4.077 1.00 2.64 C ATOM 1705 CD GLU A 109 -24.783 1.938 5.068 1.00 3.64 C ATOM 1706 OE1 GLU A 109 -25.764 1.845 5.832 1.00 4.37 O ATOM 1707 OE2 GLU A 109 -23.834 1.126 5.089 1.00 3.99 O ATOM 1708 OXT GLU A 109 -26.690 6.300 3.092 1.00 2.99 O ATOM 0 H GLU A 109 -24.516 5.562 2.653 1.00 1.51 H new ATOM 0 HA GLU A 109 -26.499 3.937 1.231 1.00 1.77 H new ATOM 0 HB2 GLU A 109 -26.678 2.529 3.361 1.00 2.25 H new ATOM 0 HB3 GLU A 109 -25.372 2.160 2.253 1.00 2.25 H new ATOM 0 HG2 GLU A 109 -23.736 3.154 3.657 1.00 2.64 H new ATOM 0 HG3 GLU A 109 -24.937 4.017 4.598 1.00 2.64 H new TER 1715 GLU A 109