USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1085 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 97 ASN : amide:sc= -1.15! X(o=-1.9!,f=-2.2) USER MOD Set 1.2: A 112 TYR OH : rot -172:sc= -0.757 USER MOD Set 2.1: A 67 CYS SG : rot -120:sc= -1.92 USER MOD Set 2.2: A 71 CYS SG : rot 91:sc= 0.0431 USER MOD Set 2.3: A 98 SER OG : rot 86:sc= 1.48 USER MOD Set 3.1: A 37 TYR OH : rot -63:sc= -0.725 USER MOD Set 3.2: A 53 ASN : amide:sc= 1.04 K(o=0.31,f=-0.73) USER MOD Set 4.1: A 52 THR OG1 : rot 150:sc= 0.214 USER MOD Set 4.2: A 87 GLN : amide:sc= -0.74 K(o=-0.53,f=1) USER MOD Single : A 10 ASN : amide:sc= -0.0513 K(o=-0.051,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0464) USER MOD Single : A 13 GLN : amide:sc= -0.0629 K(o=-0.063,f=-3.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.013) USER MOD Single : A 22 ASN : amide:sc= -0.853 X(o=-0.85,f=-1.3) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0252) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.23 (180deg=0.905) USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.0214 (180deg=-0.206) USER MOD Single : A 32 THR OG1 : rot 128:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 1.28 (180deg=0.843) USER MOD Single : A 36 HIS : no HE2:sc= 0.274 K(o=0.27,f=-5.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.124 (180deg=-0.58) USER MOD Single : A 46 THR OG1 : rot 3:sc= 1.06 USER MOD Single : A 47 ASN : amide:sc= -13.6! C(o=-14!,f=-14!) USER MOD Single : A 48 MET CE :methyl 136:sc= -5.53! (180deg=-9.53!) USER MOD Single : A 49 THR OG1 : rot 83:sc= 0.338 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.257 USER MOD Single : A 54 GLN : amide:sc= -0.748 X(o=-0.75,f=-0.89) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= 0.378 (180deg=0.261) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -2.29! (180deg=-2.69!) USER MOD Single : A 81 ASN : amide:sc= -0.304 K(o=-0.3,f=-0.85) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 161:sc= -0.0765 (180deg=-0.559) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-2.3!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 123:sc= -0.551 USER MOD Single : A 119 HIS : no HE2:sc= -2.58 K(o=-2.6,f=-4.9!) USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0473 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 CYS SG : rot 102:sc= -2.06! USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 130 GLN : amide:sc= -0.864 X(o=-0.86,f=-0.76) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -164:sc= 1.09 (180deg=0.658) USER MOD Single : A 138 GLN : amide:sc= -0.0706 K(o=-0.071,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.310 -6.995 1.773 1.00 1.26 N ATOM 2 CA GLU A 9 24.258 -7.045 0.735 1.00 1.05 C ATOM 3 C GLU A 9 23.266 -5.906 0.930 1.00 0.90 C ATOM 4 O GLU A 9 22.950 -5.519 2.054 1.00 0.98 O ATOM 5 CB GLU A 9 23.519 -8.383 0.784 1.00 1.37 C ATOM 6 CG GLU A 9 22.452 -8.508 -0.286 1.00 2.20 C ATOM 7 CD GLU A 9 23.029 -8.473 -1.684 1.00 2.80 C ATOM 8 OE1 GLU A 9 23.307 -7.367 -2.189 1.00 3.20 O ATOM 9 OE2 GLU A 9 23.201 -9.554 -2.283 1.00 3.26 O ATOM 0 HA GLU A 9 24.736 -6.940 -0.239 1.00 1.05 H new ATOM 0 HB2 GLU A 9 24.238 -9.194 0.669 1.00 1.37 H new ATOM 0 HB3 GLU A 9 23.058 -8.502 1.765 1.00 1.37 H new ATOM 0 HG2 GLU A 9 21.907 -9.441 -0.144 1.00 2.20 H new ATOM 0 HG3 GLU A 9 21.732 -7.698 -0.173 1.00 2.20 H new ATOM 18 N ASN A 10 22.755 -5.395 -0.180 1.00 0.79 N ATOM 19 CA ASN A 10 21.890 -4.226 -0.163 1.00 0.66 C ATOM 20 C ASN A 10 20.500 -4.540 0.374 1.00 0.59 C ATOM 21 O ASN A 10 19.784 -3.637 0.778 1.00 0.53 O ATOM 22 CB ASN A 10 21.799 -3.585 -1.553 1.00 0.62 C ATOM 23 CG ASN A 10 23.053 -2.816 -1.923 1.00 1.14 C ATOM 24 OD1 ASN A 10 24.157 -3.151 -1.492 1.00 1.94 O ATOM 25 ND2 ASN A 10 22.895 -1.775 -2.724 1.00 1.45 N ATOM 0 H ASN A 10 22.927 -5.776 -1.111 1.00 0.79 H new ATOM 0 HA ASN A 10 22.346 -3.510 0.521 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.621 -4.362 -2.297 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.942 -2.912 -1.584 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.703 -1.220 -3.004 1.00 1.45 H new ATOM 0 HD22 ASN A 10 21.965 -1.528 -3.061 1.00 1.45 H new ATOM 32 N LYS A 11 20.113 -5.809 0.360 1.00 0.63 N ATOM 33 CA LYS A 11 18.792 -6.221 0.846 1.00 0.62 C ATOM 34 C LYS A 11 18.526 -5.725 2.274 1.00 0.62 C ATOM 35 O LYS A 11 17.474 -5.139 2.547 1.00 0.58 O ATOM 36 CB LYS A 11 18.653 -7.743 0.790 1.00 0.71 C ATOM 37 CG LYS A 11 18.891 -8.328 -0.593 1.00 0.79 C ATOM 38 CD LYS A 11 18.596 -9.820 -0.632 1.00 1.12 C ATOM 39 CE LYS A 11 18.817 -10.391 -2.024 1.00 1.50 C ATOM 40 NZ LYS A 11 18.501 -11.844 -2.095 1.00 2.19 N ATOM 0 H LYS A 11 20.692 -6.576 0.018 1.00 0.63 H new ATOM 0 HA LYS A 11 18.050 -5.765 0.190 1.00 0.62 H new ATOM 0 HB2 LYS A 11 19.359 -8.189 1.490 1.00 0.71 H new ATOM 0 HB3 LYS A 11 17.654 -8.020 1.125 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.261 -7.814 -1.319 1.00 0.79 H new ATOM 0 HG3 LYS A 11 19.926 -8.154 -0.889 1.00 0.79 H new ATOM 0 HD2 LYS A 11 19.236 -10.338 0.082 1.00 1.12 H new ATOM 0 HD3 LYS A 11 17.566 -9.997 -0.323 1.00 1.12 H new ATOM 0 HE2 LYS A 11 18.196 -9.851 -2.739 1.00 1.50 H new ATOM 0 HE3 LYS A 11 19.854 -10.232 -2.319 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 18.667 -12.188 -3.062 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 19.111 -12.365 -1.433 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 17.504 -11.995 -1.840 1.00 2.19 H new ATOM 54 N LYS A 12 19.470 -5.947 3.184 1.00 0.70 N ATOM 55 CA LYS A 12 19.306 -5.477 4.557 1.00 0.74 C ATOM 56 C LYS A 12 19.535 -3.973 4.643 1.00 0.66 C ATOM 57 O LYS A 12 18.956 -3.295 5.493 1.00 0.63 O ATOM 58 CB LYS A 12 20.234 -6.212 5.525 1.00 0.90 C ATOM 59 CG LYS A 12 19.848 -7.664 5.755 1.00 1.54 C ATOM 60 CD LYS A 12 20.576 -8.260 6.952 1.00 2.02 C ATOM 61 CE LYS A 12 22.086 -8.199 6.792 1.00 2.38 C ATOM 62 NZ LYS A 12 22.562 -9.007 5.639 1.00 2.83 N ATOM 0 H LYS A 12 20.343 -6.441 3.001 1.00 0.70 H new ATOM 0 HA LYS A 12 18.280 -5.695 4.853 1.00 0.74 H new ATOM 0 HB2 LYS A 12 21.253 -6.172 5.139 1.00 0.90 H new ATOM 0 HB3 LYS A 12 20.235 -5.689 6.481 1.00 0.90 H new ATOM 0 HG2 LYS A 12 18.772 -7.733 5.913 1.00 1.54 H new ATOM 0 HG3 LYS A 12 20.078 -8.247 4.863 1.00 1.54 H new ATOM 0 HD2 LYS A 12 20.286 -7.724 7.856 1.00 2.02 H new ATOM 0 HD3 LYS A 12 20.268 -9.297 7.084 1.00 2.02 H new ATOM 0 HE2 LYS A 12 22.394 -7.162 6.658 1.00 2.38 H new ATOM 0 HE3 LYS A 12 22.561 -8.557 7.705 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 23.602 -9.033 5.639 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 22.192 -9.976 5.717 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 22.226 -8.579 4.753 1.00 2.83 H new ATOM 76 N GLN A 13 20.380 -3.452 3.762 1.00 0.64 N ATOM 77 CA GLN A 13 20.577 -2.023 3.645 1.00 0.59 C ATOM 78 C GLN A 13 19.265 -1.357 3.242 1.00 0.50 C ATOM 79 O GLN A 13 18.964 -0.235 3.653 1.00 0.49 O ATOM 80 CB GLN A 13 21.659 -1.742 2.606 1.00 0.62 C ATOM 81 CG GLN A 13 22.275 -0.372 2.739 1.00 0.90 C ATOM 82 CD GLN A 13 23.363 -0.113 1.715 1.00 1.51 C ATOM 83 OE1 GLN A 13 23.098 0.376 0.617 1.00 2.07 O ATOM 84 NE2 GLN A 13 24.596 -0.428 2.069 1.00 2.26 N ATOM 0 H GLN A 13 20.941 -4.007 3.116 1.00 0.64 H new ATOM 0 HA GLN A 13 20.896 -1.616 4.604 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.442 -2.495 2.695 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.230 -1.844 1.609 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.496 0.383 2.633 1.00 0.90 H new ATOM 0 HG3 GLN A 13 22.692 -0.262 3.740 1.00 0.90 H new ATOM 0 HE21 GLN A 13 24.775 -0.832 2.988 1.00 2.26 H new ATOM 0 HE22 GLN A 13 25.369 -0.268 1.423 1.00 2.26 H new ATOM 93 N ALA A 14 18.489 -2.076 2.435 1.00 0.46 N ATOM 94 CA ALA A 14 17.177 -1.629 2.001 1.00 0.38 C ATOM 95 C ALA A 14 16.245 -1.476 3.191 1.00 0.39 C ATOM 96 O ALA A 14 15.405 -0.583 3.221 1.00 0.36 O ATOM 97 CB ALA A 14 16.603 -2.611 0.990 1.00 0.36 C ATOM 0 H ALA A 14 18.757 -2.988 2.065 1.00 0.46 H new ATOM 0 HA ALA A 14 17.277 -0.654 1.523 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.619 -2.269 0.669 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.265 -2.673 0.126 1.00 0.36 H new ATOM 0 HB3 ALA A 14 16.513 -3.595 1.449 1.00 0.36 H new ATOM 103 N LEU A 15 16.398 -2.353 4.176 1.00 0.45 N ATOM 104 CA LEU A 15 15.635 -2.238 5.413 1.00 0.47 C ATOM 105 C LEU A 15 15.927 -0.912 6.099 1.00 0.49 C ATOM 106 O LEU A 15 15.029 -0.279 6.655 1.00 0.49 O ATOM 107 CB LEU A 15 15.952 -3.391 6.365 1.00 0.54 C ATOM 108 CG LEU A 15 15.221 -4.700 6.075 1.00 1.13 C ATOM 109 CD1 LEU A 15 15.756 -5.810 6.963 1.00 1.98 C ATOM 110 CD2 LEU A 15 13.725 -4.521 6.288 1.00 1.31 C ATOM 0 H LEU A 15 17.039 -3.146 4.143 1.00 0.45 H new ATOM 0 HA LEU A 15 14.577 -2.282 5.155 1.00 0.47 H new ATOM 0 HB2 LEU A 15 17.025 -3.580 6.335 1.00 0.54 H new ATOM 0 HB3 LEU A 15 15.711 -3.078 7.381 1.00 0.54 H new ATOM 0 HG LEU A 15 15.394 -4.977 5.035 1.00 1.13 H new ATOM 0 HD11 LEU A 15 15.226 -6.737 6.746 1.00 1.98 H new ATOM 0 HD12 LEU A 15 16.820 -5.947 6.772 1.00 1.98 H new ATOM 0 HD13 LEU A 15 15.606 -5.543 8.009 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.213 -5.460 6.079 1.00 1.31 H new ATOM 0 HD22 LEU A 15 13.537 -4.228 7.321 1.00 1.31 H new ATOM 0 HD23 LEU A 15 13.352 -3.747 5.617 1.00 1.31 H new ATOM 122 N LYS A 16 17.184 -0.492 6.040 1.00 0.51 N ATOM 123 CA LYS A 16 17.588 0.770 6.635 1.00 0.54 C ATOM 124 C LYS A 16 17.025 1.935 5.830 1.00 0.48 C ATOM 125 O LYS A 16 16.556 2.915 6.398 1.00 0.49 O ATOM 126 CB LYS A 16 19.110 0.872 6.714 1.00 0.62 C ATOM 127 CG LYS A 16 19.591 2.086 7.490 1.00 0.79 C ATOM 128 CD LYS A 16 21.100 2.224 7.437 1.00 1.64 C ATOM 129 CE LYS A 16 21.580 3.373 8.305 1.00 1.89 C ATOM 130 NZ LYS A 16 23.053 3.542 8.235 1.00 2.88 N ATOM 0 H LYS A 16 17.938 -1.007 5.586 1.00 0.51 H new ATOM 0 HA LYS A 16 17.189 0.813 7.648 1.00 0.54 H new ATOM 0 HB2 LYS A 16 19.504 -0.030 7.183 1.00 0.62 H new ATOM 0 HB3 LYS A 16 19.518 0.910 5.704 1.00 0.62 H new ATOM 0 HG2 LYS A 16 19.129 2.985 7.082 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.269 2.005 8.528 1.00 0.79 H new ATOM 0 HD2 LYS A 16 21.564 1.296 7.770 1.00 1.64 H new ATOM 0 HD3 LYS A 16 21.416 2.387 6.407 1.00 1.64 H new ATOM 0 HE2 LYS A 16 21.093 4.295 7.988 1.00 1.89 H new ATOM 0 HE3 LYS A 16 21.284 3.195 9.339 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 23.340 4.336 8.841 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 23.518 2.671 8.562 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 23.334 3.737 7.253 1.00 2.88 H new ATOM 144 N GLU A 17 17.064 1.818 4.506 1.00 0.42 N ATOM 145 CA GLU A 17 16.481 2.835 3.637 1.00 0.38 C ATOM 146 C GLU A 17 14.967 2.897 3.822 1.00 0.35 C ATOM 147 O GLU A 17 14.365 3.965 3.714 1.00 0.34 O ATOM 148 CB GLU A 17 16.848 2.579 2.170 1.00 0.35 C ATOM 149 CG GLU A 17 18.257 3.020 1.813 1.00 0.39 C ATOM 150 CD GLU A 17 18.594 4.400 2.358 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.139 5.399 1.765 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.308 4.495 3.383 1.00 0.54 O ATOM 0 H GLU A 17 17.491 1.033 4.013 1.00 0.42 H new ATOM 0 HA GLU A 17 16.896 3.803 3.919 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.744 1.515 1.958 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.138 3.103 1.529 1.00 0.35 H new ATOM 0 HG2 GLU A 17 18.971 2.295 2.204 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.369 3.024 0.729 1.00 0.39 H new ATOM 159 N LYS A 18 14.357 1.758 4.124 1.00 0.34 N ATOM 160 CA LYS A 18 12.939 1.726 4.447 1.00 0.34 C ATOM 161 C LYS A 18 12.692 2.470 5.760 1.00 0.40 C ATOM 162 O LYS A 18 11.715 3.202 5.893 1.00 0.41 O ATOM 163 CB LYS A 18 12.429 0.283 4.543 1.00 0.34 C ATOM 164 CG LYS A 18 10.914 0.183 4.686 1.00 0.33 C ATOM 165 CD LYS A 18 10.434 -1.258 4.832 1.00 0.36 C ATOM 166 CE LYS A 18 10.960 -1.923 6.095 1.00 0.50 C ATOM 167 NZ LYS A 18 10.350 -1.352 7.324 1.00 0.80 N ATOM 0 H LYS A 18 14.820 0.850 4.152 1.00 0.34 H new ATOM 0 HA LYS A 18 12.389 2.221 3.647 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.739 -0.264 3.653 1.00 0.34 H new ATOM 0 HB3 LYS A 18 12.900 -0.205 5.397 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.596 0.758 5.555 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.440 0.634 3.814 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.344 -1.275 4.843 1.00 0.36 H new ATOM 0 HD3 LYS A 18 10.753 -1.833 3.963 1.00 0.36 H new ATOM 0 HE2 LYS A 18 10.755 -2.993 6.053 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.043 -1.807 6.141 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 10.672 -1.890 8.154 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 10.636 -0.357 7.424 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 9.314 -1.409 7.256 1.00 0.80 H new ATOM 181 N GLU A 19 13.599 2.284 6.719 1.00 0.46 N ATOM 182 CA GLU A 19 13.539 3.001 7.992 1.00 0.52 C ATOM 183 C GLU A 19 13.739 4.495 7.779 1.00 0.50 C ATOM 184 O GLU A 19 13.007 5.307 8.336 1.00 0.53 O ATOM 185 CB GLU A 19 14.601 2.481 8.962 1.00 0.58 C ATOM 186 CG GLU A 19 14.338 1.078 9.484 1.00 0.63 C ATOM 187 CD GLU A 19 15.389 0.637 10.480 1.00 1.32 C ATOM 188 OE1 GLU A 19 15.522 1.282 11.538 1.00 1.29 O ATOM 189 OE2 GLU A 19 16.093 -0.361 10.210 1.00 2.32 O ATOM 0 H GLU A 19 14.386 1.641 6.638 1.00 0.46 H new ATOM 0 HA GLU A 19 12.552 2.829 8.421 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.570 2.495 8.463 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.669 3.164 9.809 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.356 1.045 9.955 1.00 0.63 H new ATOM 0 HG3 GLU A 19 14.315 0.379 8.648 1.00 0.63 H new ATOM 196 N LEU A 20 14.737 4.845 6.976 1.00 0.47 N ATOM 197 CA LEU A 20 15.024 6.239 6.649 1.00 0.46 C ATOM 198 C LEU A 20 13.827 6.887 5.961 1.00 0.43 C ATOM 199 O LEU A 20 13.440 8.009 6.291 1.00 0.45 O ATOM 200 CB LEU A 20 16.260 6.329 5.744 1.00 0.45 C ATOM 201 CG LEU A 20 17.592 6.627 6.439 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.543 7.982 7.117 1.00 0.58 C ATOM 203 CD2 LEU A 20 17.944 5.539 7.442 1.00 0.60 C ATOM 0 H LEU A 20 15.368 4.176 6.535 1.00 0.47 H new ATOM 0 HA LEU A 20 15.224 6.774 7.577 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.359 5.386 5.206 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.082 7.104 4.999 1.00 0.45 H new ATOM 0 HG LEU A 20 18.373 6.646 5.679 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.497 8.179 7.606 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.351 8.755 6.373 1.00 0.58 H new ATOM 0 HD13 LEU A 20 16.746 7.988 7.860 1.00 0.58 H new ATOM 0 HD21 LEU A 20 18.894 5.778 7.919 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.163 5.476 8.200 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.027 4.582 6.927 1.00 0.60 H new ATOM 215 N GLY A 21 13.253 6.175 4.999 1.00 0.39 N ATOM 216 CA GLY A 21 12.044 6.637 4.346 1.00 0.37 C ATOM 217 C GLY A 21 10.907 6.795 5.328 1.00 0.40 C ATOM 218 O GLY A 21 10.313 7.861 5.420 1.00 0.41 O ATOM 0 H GLY A 21 13.606 5.281 4.658 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.237 7.591 3.855 1.00 0.37 H new ATOM 0 HA3 GLY A 21 11.757 5.930 3.567 1.00 0.37 H new ATOM 222 N ASN A 22 10.630 5.740 6.083 1.00 0.43 N ATOM 223 CA ASN A 22 9.556 5.758 7.080 1.00 0.47 C ATOM 224 C ASN A 22 9.779 6.848 8.126 1.00 0.53 C ATOM 225 O ASN A 22 8.829 7.435 8.637 1.00 0.56 O ATOM 226 CB ASN A 22 9.460 4.401 7.777 1.00 0.52 C ATOM 227 CG ASN A 22 8.220 4.265 8.643 1.00 0.59 C ATOM 228 OD1 ASN A 22 7.186 4.885 8.383 1.00 1.27 O ATOM 229 ND2 ASN A 22 8.309 3.441 9.675 1.00 1.23 N ATOM 0 H ASN A 22 11.134 4.855 6.027 1.00 0.43 H new ATOM 0 HA ASN A 22 8.625 5.970 6.554 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.460 3.612 7.025 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.346 4.252 8.395 1.00 0.52 H new ATOM 0 HD21 ASN A 22 7.505 3.302 10.287 1.00 1.23 H new ATOM 0 HD22 ASN A 22 9.182 2.945 9.858 1.00 1.23 H new ATOM 236 N ASP A 23 11.036 7.113 8.441 1.00 0.54 N ATOM 237 CA ASP A 23 11.377 8.123 9.435 1.00 0.59 C ATOM 238 C ASP A 23 11.009 9.506 8.924 1.00 0.58 C ATOM 239 O ASP A 23 10.331 10.269 9.609 1.00 0.62 O ATOM 240 CB ASP A 23 12.868 8.066 9.767 1.00 0.61 C ATOM 241 CG ASP A 23 13.201 8.807 11.047 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.332 10.049 11.013 1.00 0.79 O ATOM 243 OD2 ASP A 23 13.331 8.150 12.102 1.00 0.93 O ATOM 0 H ASP A 23 11.840 6.643 8.024 1.00 0.54 H new ATOM 0 HA ASP A 23 10.811 7.919 10.344 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.177 7.025 9.861 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.438 8.495 8.943 1.00 0.61 H new ATOM 248 N ALA A 24 11.443 9.815 7.707 1.00 0.53 N ATOM 249 CA ALA A 24 11.085 11.073 7.061 1.00 0.53 C ATOM 250 C ALA A 24 9.580 11.123 6.825 1.00 0.53 C ATOM 251 O ALA A 24 8.952 12.177 6.907 1.00 0.58 O ATOM 252 CB ALA A 24 11.839 11.218 5.748 1.00 0.49 C ATOM 0 H ALA A 24 12.044 9.211 7.147 1.00 0.53 H new ATOM 0 HA ALA A 24 11.363 11.903 7.711 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.565 12.160 5.273 1.00 0.49 H new ATOM 0 HB2 ALA A 24 12.912 11.208 5.941 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.581 10.390 5.087 1.00 0.49 H new ATOM 258 N TYR A 25 9.024 9.953 6.547 1.00 0.48 N ATOM 259 CA TYR A 25 7.588 9.761 6.384 1.00 0.49 C ATOM 260 C TYR A 25 6.837 10.243 7.625 1.00 0.59 C ATOM 261 O TYR A 25 5.770 10.851 7.528 1.00 0.63 O ATOM 262 CB TYR A 25 7.335 8.269 6.140 1.00 0.46 C ATOM 263 CG TYR A 25 5.902 7.873 5.902 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.377 7.866 4.621 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.087 7.481 6.952 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.072 7.482 4.386 1.00 0.45 C ATOM 267 CE2 TYR A 25 3.782 7.095 6.730 1.00 0.68 C ATOM 268 CZ TYR A 25 3.277 7.097 5.445 1.00 0.54 C ATOM 269 OH TYR A 25 1.973 6.716 5.226 1.00 0.63 O ATOM 0 H TYR A 25 9.565 9.097 6.426 1.00 0.48 H new ATOM 0 HA TYR A 25 7.224 10.344 5.538 1.00 0.49 H new ATOM 0 HB2 TYR A 25 7.925 7.957 5.279 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.707 7.712 7.000 1.00 0.46 H new ATOM 0 HD1 TYR A 25 5.999 8.166 3.791 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.479 7.478 7.958 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.677 7.483 3.381 1.00 0.45 H new ATOM 0 HE2 TYR A 25 3.158 6.792 7.558 1.00 0.68 H new ATOM 0 HH TYR A 25 1.555 6.475 6.079 1.00 0.63 H new ATOM 279 N LYS A 26 7.421 9.984 8.789 1.00 0.65 N ATOM 280 CA LYS A 26 6.828 10.370 10.062 1.00 0.77 C ATOM 281 C LYS A 26 6.973 11.869 10.313 1.00 0.81 C ATOM 282 O LYS A 26 6.236 12.447 11.111 1.00 0.94 O ATOM 283 CB LYS A 26 7.475 9.571 11.195 1.00 0.82 C ATOM 284 CG LYS A 26 7.157 8.089 11.133 1.00 0.86 C ATOM 285 CD LYS A 26 7.952 7.297 12.153 1.00 1.03 C ATOM 286 CE LYS A 26 7.697 5.806 12.012 1.00 0.90 C ATOM 287 NZ LYS A 26 6.309 5.436 12.396 1.00 1.62 N ATOM 0 H LYS A 26 8.316 9.502 8.876 1.00 0.65 H new ATOM 0 HA LYS A 26 5.762 10.146 10.026 1.00 0.77 H new ATOM 0 HB2 LYS A 26 8.556 9.707 11.157 1.00 0.82 H new ATOM 0 HB3 LYS A 26 7.138 9.970 12.152 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.092 7.939 11.307 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.373 7.713 10.133 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.015 7.500 12.026 1.00 1.03 H new ATOM 0 HD3 LYS A 26 7.683 7.621 13.158 1.00 1.03 H new ATOM 0 HE2 LYS A 26 7.880 5.504 10.981 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.403 5.258 12.635 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 6.209 4.401 12.382 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 6.107 5.791 13.353 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 5.638 5.857 11.722 1.00 1.62 H new ATOM 301 N LYS A 27 7.918 12.499 9.626 1.00 0.75 N ATOM 302 CA LYS A 27 8.115 13.942 9.740 1.00 0.80 C ATOM 303 C LYS A 27 7.344 14.684 8.653 1.00 0.79 C ATOM 304 O LYS A 27 7.520 15.890 8.477 1.00 0.84 O ATOM 305 CB LYS A 27 9.601 14.314 9.649 1.00 0.80 C ATOM 306 CG LYS A 27 10.374 14.171 10.953 1.00 1.16 C ATOM 307 CD LYS A 27 10.607 12.719 11.328 1.00 1.58 C ATOM 308 CE LYS A 27 11.472 12.599 12.572 1.00 1.93 C ATOM 309 NZ LYS A 27 11.778 11.183 12.899 1.00 2.31 N ATOM 0 H LYS A 27 8.561 12.035 8.984 1.00 0.75 H new ATOM 0 HA LYS A 27 7.737 14.240 10.718 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.073 13.687 8.892 1.00 0.80 H new ATOM 0 HB3 LYS A 27 9.683 15.345 9.305 1.00 0.80 H new ATOM 0 HG2 LYS A 27 11.334 14.679 10.861 1.00 1.16 H new ATOM 0 HG3 LYS A 27 9.826 14.667 11.754 1.00 1.16 H new ATOM 0 HD2 LYS A 27 9.649 12.228 11.500 1.00 1.58 H new ATOM 0 HD3 LYS A 27 11.087 12.200 10.498 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.403 13.146 12.421 1.00 1.93 H new ATOM 0 HE3 LYS A 27 10.962 13.064 13.415 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 12.030 11.106 13.905 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 10.943 10.594 12.705 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 12.575 10.857 12.317 1.00 2.31 H new ATOM 323 N LYS A 28 6.491 13.954 7.932 1.00 0.77 N ATOM 324 CA LYS A 28 5.724 14.507 6.816 1.00 0.80 C ATOM 325 C LYS A 28 6.637 14.981 5.694 1.00 0.71 C ATOM 326 O LYS A 28 6.238 15.770 4.838 1.00 0.75 O ATOM 327 CB LYS A 28 4.815 15.631 7.297 1.00 0.96 C ATOM 328 CG LYS A 28 3.761 15.149 8.275 1.00 1.07 C ATOM 329 CD LYS A 28 3.030 16.305 8.920 1.00 1.24 C ATOM 330 CE LYS A 28 1.951 15.817 9.874 1.00 1.77 C ATOM 331 NZ LYS A 28 2.515 14.988 10.973 1.00 2.39 N ATOM 0 H LYS A 28 6.313 12.965 8.105 1.00 0.77 H new ATOM 0 HA LYS A 28 5.099 13.711 6.411 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.419 16.404 7.771 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.326 16.091 6.438 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.047 14.510 7.755 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.231 14.539 9.046 1.00 1.07 H new ATOM 0 HD2 LYS A 28 3.740 16.930 9.461 1.00 1.24 H new ATOM 0 HD3 LYS A 28 2.580 16.929 8.148 1.00 1.24 H new ATOM 0 HE2 LYS A 28 1.427 16.674 10.298 1.00 1.77 H new ATOM 0 HE3 LYS A 28 1.214 15.234 9.321 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 1.797 14.859 11.714 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 2.796 14.059 10.598 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 3.347 15.465 11.376 1.00 2.39 H new ATOM 345 N ASP A 29 7.863 14.478 5.696 1.00 0.64 N ATOM 346 CA ASP A 29 8.783 14.690 4.595 1.00 0.59 C ATOM 347 C ASP A 29 8.552 13.597 3.571 1.00 0.50 C ATOM 348 O ASP A 29 9.430 12.781 3.306 1.00 0.47 O ATOM 349 CB ASP A 29 10.226 14.662 5.073 1.00 0.60 C ATOM 350 CG ASP A 29 10.964 15.947 4.771 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.443 16.108 3.629 1.00 1.39 O ATOM 352 OD2 ASP A 29 11.078 16.800 5.674 1.00 1.62 O ATOM 0 H ASP A 29 8.243 13.915 6.457 1.00 0.64 H new ATOM 0 HA ASP A 29 8.603 15.671 4.155 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.245 14.480 6.148 1.00 0.60 H new ATOM 0 HB3 ASP A 29 10.746 13.829 4.599 1.00 0.60 H new ATOM 357 N PHE A 30 7.351 13.586 3.008 1.00 0.49 N ATOM 358 CA PHE A 30 6.887 12.469 2.203 1.00 0.44 C ATOM 359 C PHE A 30 7.718 12.265 0.942 1.00 0.42 C ATOM 360 O PHE A 30 7.965 11.129 0.552 1.00 0.43 O ATOM 361 CB PHE A 30 5.397 12.620 1.887 1.00 0.45 C ATOM 362 CG PHE A 30 4.537 12.455 3.113 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.344 11.211 3.690 1.00 0.52 C ATOM 364 CD2 PHE A 30 3.907 13.551 3.679 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.545 11.064 4.807 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.105 13.409 4.795 1.00 0.71 C ATOM 367 CZ PHE A 30 2.978 12.139 5.394 1.00 0.66 C ATOM 0 H PHE A 30 6.677 14.346 3.097 1.00 0.49 H new ATOM 0 HA PHE A 30 7.021 11.564 2.795 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.218 13.602 1.449 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.109 11.880 1.140 1.00 0.45 H new ATOM 0 HD1 PHE A 30 4.825 10.344 3.261 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.044 14.529 3.242 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.372 10.079 5.215 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.582 14.261 5.204 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.430 12.027 6.318 1.00 0.66 H new ATOM 377 N ASP A 31 8.186 13.337 0.318 1.00 0.46 N ATOM 378 CA ASP A 31 9.052 13.182 -0.849 1.00 0.48 C ATOM 379 C ASP A 31 10.339 12.485 -0.440 1.00 0.44 C ATOM 380 O ASP A 31 10.786 11.545 -1.091 1.00 0.42 O ATOM 381 CB ASP A 31 9.394 14.525 -1.486 1.00 0.57 C ATOM 382 CG ASP A 31 8.951 14.614 -2.931 1.00 1.30 C ATOM 383 OD1 ASP A 31 9.636 14.042 -3.803 1.00 1.93 O ATOM 384 OD2 ASP A 31 7.905 15.244 -3.199 1.00 1.61 O ATOM 0 H ASP A 31 7.989 14.301 0.588 1.00 0.46 H new ATOM 0 HA ASP A 31 8.511 12.585 -1.584 1.00 0.48 H new ATOM 0 HB2 ASP A 31 8.922 15.324 -0.915 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.471 14.686 -1.429 1.00 0.57 H new ATOM 389 N THR A 32 10.915 12.948 0.659 1.00 0.45 N ATOM 390 CA THR A 32 12.126 12.363 1.208 1.00 0.45 C ATOM 391 C THR A 32 11.879 10.923 1.665 1.00 0.39 C ATOM 392 O THR A 32 12.749 10.056 1.538 1.00 0.38 O ATOM 393 CB THR A 32 12.629 13.211 2.386 1.00 0.50 C ATOM 394 OG1 THR A 32 12.782 14.576 1.965 1.00 0.57 O ATOM 395 CG2 THR A 32 13.949 12.688 2.916 1.00 0.52 C ATOM 0 H THR A 32 10.556 13.739 1.194 1.00 0.45 H new ATOM 0 HA THR A 32 12.885 12.347 0.426 1.00 0.45 H new ATOM 0 HB THR A 32 11.894 13.151 3.189 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.300 15.165 2.583 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.278 13.309 3.749 1.00 0.52 H new ATOM 0 HG22 THR A 32 13.823 11.661 3.257 1.00 0.52 H new ATOM 0 HG23 THR A 32 14.697 12.718 2.123 1.00 0.52 H new ATOM 403 N ALA A 33 10.688 10.673 2.191 1.00 0.38 N ATOM 404 CA ALA A 33 10.279 9.328 2.559 1.00 0.36 C ATOM 405 C ALA A 33 10.283 8.433 1.332 1.00 0.30 C ATOM 406 O ALA A 33 10.960 7.403 1.297 1.00 0.28 O ATOM 407 CB ALA A 33 8.895 9.349 3.180 1.00 0.39 C ATOM 0 H ALA A 33 9.986 11.390 2.373 1.00 0.38 H new ATOM 0 HA ALA A 33 10.984 8.935 3.291 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.602 8.335 3.450 1.00 0.39 H new ATOM 0 HB2 ALA A 33 8.906 9.974 4.073 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.181 9.754 2.463 1.00 0.39 H new ATOM 413 N LEU A 34 9.541 8.868 0.324 1.00 0.29 N ATOM 414 CA LEU A 34 9.440 8.172 -0.950 1.00 0.26 C ATOM 415 C LEU A 34 10.831 7.999 -1.567 1.00 0.26 C ATOM 416 O LEU A 34 11.100 7.024 -2.260 1.00 0.26 O ATOM 417 CB LEU A 34 8.531 8.990 -1.875 1.00 0.28 C ATOM 418 CG LEU A 34 7.823 8.231 -2.998 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.362 8.639 -4.353 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.938 6.735 -2.810 1.00 0.53 C ATOM 0 H LEU A 34 8.986 9.723 0.368 1.00 0.29 H new ATOM 0 HA LEU A 34 9.015 7.179 -0.806 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.771 9.475 -1.262 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.130 9.782 -2.326 1.00 0.28 H new ATOM 0 HG LEU A 34 6.766 8.495 -2.955 1.00 0.33 H new ATOM 0 HD11 LEU A 34 7.841 8.084 -5.134 1.00 0.81 H new ATOM 0 HD12 LEU A 34 8.205 9.707 -4.500 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.429 8.419 -4.402 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.424 6.225 -3.625 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.990 6.448 -2.808 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.483 6.452 -1.861 1.00 0.53 H new ATOM 432 N LYS A 35 11.709 8.950 -1.277 1.00 0.31 N ATOM 433 CA LYS A 35 13.076 8.936 -1.779 1.00 0.33 C ATOM 434 C LYS A 35 13.848 7.724 -1.256 1.00 0.29 C ATOM 435 O LYS A 35 14.436 6.975 -2.034 1.00 0.30 O ATOM 436 CB LYS A 35 13.788 10.222 -1.362 1.00 0.40 C ATOM 437 CG LYS A 35 14.634 10.849 -2.455 1.00 0.49 C ATOM 438 CD LYS A 35 13.779 11.393 -3.590 1.00 0.53 C ATOM 439 CE LYS A 35 12.843 12.502 -3.119 1.00 0.60 C ATOM 440 NZ LYS A 35 12.097 13.113 -4.251 1.00 1.41 N ATOM 0 H LYS A 35 11.493 9.753 -0.687 1.00 0.31 H new ATOM 0 HA LYS A 35 13.040 8.869 -2.866 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.042 10.947 -1.035 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.424 10.009 -0.503 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.233 11.656 -2.033 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.329 10.107 -2.847 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.426 11.775 -4.380 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.192 10.583 -4.023 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.136 12.098 -2.394 1.00 0.60 H new ATOM 0 HE3 LYS A 35 13.420 13.272 -2.607 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 11.291 13.658 -3.882 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 12.729 13.746 -4.782 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 11.748 12.363 -4.882 1.00 1.41 H new ATOM 454 N HIS A 36 13.841 7.527 0.062 1.00 0.29 N ATOM 455 CA HIS A 36 14.569 6.405 0.659 1.00 0.29 C ATOM 456 C HIS A 36 13.837 5.101 0.415 1.00 0.25 C ATOM 457 O HIS A 36 14.455 4.053 0.270 1.00 0.27 O ATOM 458 CB HIS A 36 14.761 6.575 2.163 1.00 0.38 C ATOM 459 CG HIS A 36 15.592 7.745 2.556 1.00 0.38 C ATOM 460 ND1 HIS A 36 16.968 7.731 2.549 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.226 8.966 2.990 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.416 8.900 2.968 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.377 9.671 3.241 1.00 0.46 N ATOM 0 H HIS A 36 13.347 8.120 0.730 1.00 0.29 H new ATOM 0 HA HIS A 36 15.548 6.386 0.181 1.00 0.29 H new ATOM 0 HB2 HIS A 36 13.782 6.668 2.632 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.220 5.670 2.561 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.550 6.943 2.265 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.215 9.324 3.117 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.454 9.179 3.070 1.00 0.47 H new ATOM 472 N TYR A 37 12.518 5.169 0.392 1.00 0.22 N ATOM 473 CA TYR A 37 11.707 4.004 0.093 1.00 0.21 C ATOM 474 C TYR A 37 12.026 3.478 -1.304 1.00 0.21 C ATOM 475 O TYR A 37 12.159 2.271 -1.514 1.00 0.24 O ATOM 476 CB TYR A 37 10.231 4.358 0.194 1.00 0.22 C ATOM 477 CG TYR A 37 9.644 4.290 1.586 1.00 0.23 C ATOM 478 CD1 TYR A 37 9.885 3.207 2.425 1.00 0.33 C ATOM 479 CD2 TYR A 37 8.799 5.288 2.037 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.302 3.135 3.673 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.201 5.214 3.277 1.00 0.41 C ATOM 482 CZ TYR A 37 8.455 4.136 4.089 1.00 0.36 C ATOM 483 OH TYR A 37 7.844 4.042 5.314 1.00 0.48 O ATOM 0 H TYR A 37 11.986 6.019 0.577 1.00 0.22 H new ATOM 0 HA TYR A 37 11.935 3.223 0.819 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.089 5.367 -0.194 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.668 3.686 -0.453 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.537 2.412 2.095 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.604 6.142 1.405 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.510 2.296 4.321 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.537 5.999 3.608 1.00 0.41 H new ATOM 0 HH TYR A 37 7.258 3.256 5.328 1.00 0.48 H new ATOM 493 N ASP A 38 12.150 4.400 -2.252 1.00 0.25 N ATOM 494 CA ASP A 38 12.532 4.065 -3.621 1.00 0.31 C ATOM 495 C ASP A 38 13.967 3.564 -3.652 1.00 0.30 C ATOM 496 O ASP A 38 14.300 2.630 -4.382 1.00 0.32 O ATOM 497 CB ASP A 38 12.388 5.296 -4.513 1.00 0.42 C ATOM 498 CG ASP A 38 12.720 5.028 -5.967 1.00 0.78 C ATOM 499 OD1 ASP A 38 11.849 4.508 -6.696 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.867 5.306 -6.383 1.00 1.51 O ATOM 0 H ASP A 38 11.990 5.395 -2.096 1.00 0.25 H new ATOM 0 HA ASP A 38 11.876 3.278 -3.992 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.366 5.668 -4.444 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.040 6.085 -4.139 1.00 0.42 H new ATOM 505 N LYS A 39 14.806 4.196 -2.846 1.00 0.30 N ATOM 506 CA LYS A 39 16.186 3.765 -2.672 1.00 0.32 C ATOM 507 C LYS A 39 16.227 2.315 -2.198 1.00 0.29 C ATOM 508 O LYS A 39 16.977 1.500 -2.728 1.00 0.32 O ATOM 509 CB LYS A 39 16.890 4.663 -1.654 1.00 0.35 C ATOM 510 CG LYS A 39 18.339 4.289 -1.405 1.00 0.41 C ATOM 511 CD LYS A 39 19.224 4.635 -2.587 1.00 0.47 C ATOM 512 CE LYS A 39 20.663 4.249 -2.311 1.00 0.54 C ATOM 513 NZ LYS A 39 21.583 4.721 -3.377 1.00 1.25 N ATOM 0 H LYS A 39 14.553 5.017 -2.297 1.00 0.30 H new ATOM 0 HA LYS A 39 16.701 3.840 -3.630 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.846 5.695 -2.002 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.347 4.621 -0.710 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.700 4.808 -0.517 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.408 3.221 -1.200 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.868 4.117 -3.478 1.00 0.47 H new ATOM 0 HD3 LYS A 39 19.162 5.704 -2.793 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.973 4.668 -1.354 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.737 3.165 -2.223 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.556 4.435 -3.147 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 21.304 4.301 -4.287 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 21.534 5.758 -3.444 1.00 1.25 H new ATOM 527 N ALA A 40 15.396 2.004 -1.210 1.00 0.25 N ATOM 528 CA ALA A 40 15.306 0.659 -0.660 1.00 0.24 C ATOM 529 C ALA A 40 14.893 -0.344 -1.733 1.00 0.22 C ATOM 530 O ALA A 40 15.280 -1.507 -1.684 1.00 0.26 O ATOM 531 CB ALA A 40 14.332 0.633 0.514 1.00 0.22 C ATOM 0 H ALA A 40 14.768 2.676 -0.769 1.00 0.25 H new ATOM 0 HA ALA A 40 16.292 0.369 -0.297 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.274 -0.378 0.916 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.681 1.313 1.291 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.345 0.946 0.175 1.00 0.22 H new ATOM 537 N LYS A 41 14.123 0.117 -2.713 1.00 0.23 N ATOM 538 CA LYS A 41 13.730 -0.735 -3.826 1.00 0.26 C ATOM 539 C LYS A 41 14.919 -1.020 -4.740 1.00 0.31 C ATOM 540 O LYS A 41 15.011 -2.082 -5.346 1.00 0.37 O ATOM 541 CB LYS A 41 12.602 -0.098 -4.633 1.00 0.29 C ATOM 542 CG LYS A 41 12.298 -0.844 -5.921 1.00 0.41 C ATOM 543 CD LYS A 41 10.815 -1.089 -6.077 1.00 0.78 C ATOM 544 CE LYS A 41 10.482 -1.619 -7.457 1.00 0.89 C ATOM 545 NZ LYS A 41 10.870 -0.664 -8.526 1.00 1.37 N ATOM 0 H LYS A 41 13.761 1.070 -2.758 1.00 0.23 H new ATOM 0 HA LYS A 41 13.373 -1.676 -3.407 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.701 -0.060 -4.020 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.869 0.932 -4.871 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.665 -0.270 -6.772 1.00 0.41 H new ATOM 0 HG3 LYS A 41 12.829 -1.796 -5.926 1.00 0.41 H new ATOM 0 HD2 LYS A 41 10.481 -1.801 -5.322 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.271 -0.161 -5.902 1.00 0.78 H new ATOM 0 HE2 LYS A 41 10.994 -2.568 -7.615 1.00 0.89 H new ATOM 0 HE3 LYS A 41 9.413 -1.820 -7.520 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 10.318 -0.862 -9.385 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 10.680 0.308 -8.209 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.884 -0.769 -8.734 1.00 1.37 H new ATOM 559 N GLU A 42 15.825 -0.065 -4.849 1.00 0.32 N ATOM 560 CA GLU A 42 17.024 -0.256 -5.648 1.00 0.38 C ATOM 561 C GLU A 42 18.000 -1.163 -4.908 1.00 0.40 C ATOM 562 O GLU A 42 18.813 -1.857 -5.519 1.00 0.50 O ATOM 563 CB GLU A 42 17.668 1.092 -5.972 1.00 0.43 C ATOM 564 CG GLU A 42 16.788 1.991 -6.828 1.00 1.11 C ATOM 565 CD GLU A 42 16.558 1.437 -8.223 1.00 1.81 C ATOM 566 OE1 GLU A 42 17.384 1.701 -9.125 1.00 2.03 O ATOM 567 OE2 GLU A 42 15.549 0.724 -8.420 1.00 2.78 O ATOM 0 H GLU A 42 15.755 0.847 -4.397 1.00 0.32 H new ATOM 0 HA GLU A 42 16.753 -0.734 -6.589 1.00 0.38 H new ATOM 0 HB2 GLU A 42 17.904 1.607 -5.041 1.00 0.43 H new ATOM 0 HB3 GLU A 42 18.612 0.921 -6.489 1.00 0.43 H new ATOM 0 HG2 GLU A 42 15.826 2.127 -6.333 1.00 1.11 H new ATOM 0 HG3 GLU A 42 17.249 2.976 -6.905 1.00 1.11 H new ATOM 574 N LEU A 43 17.898 -1.160 -3.584 1.00 0.36 N ATOM 575 CA LEU A 43 18.716 -2.029 -2.747 1.00 0.39 C ATOM 576 C LEU A 43 18.165 -3.441 -2.760 1.00 0.39 C ATOM 577 O LEU A 43 18.921 -4.412 -2.782 1.00 0.49 O ATOM 578 CB LEU A 43 18.797 -1.498 -1.317 1.00 0.39 C ATOM 579 CG LEU A 43 19.907 -0.481 -1.088 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.782 0.637 -2.082 1.00 0.42 C ATOM 581 CD2 LEU A 43 19.851 0.067 0.315 1.00 0.45 C ATOM 0 H LEU A 43 17.254 -0.563 -3.065 1.00 0.36 H new ATOM 0 HA LEU A 43 19.726 -2.043 -3.156 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.842 -1.041 -1.057 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.944 -2.338 -0.638 1.00 0.39 H new ATOM 0 HG LEU A 43 20.867 -0.979 -1.222 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.578 1.363 -1.915 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.862 0.236 -3.092 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.815 1.125 -1.961 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.653 0.791 0.455 1.00 0.45 H new ATOM 0 HD22 LEU A 43 18.890 0.555 0.477 1.00 0.45 H new ATOM 0 HD23 LEU A 43 19.969 -0.748 1.029 1.00 0.45 H new ATOM 593 N ASP A 44 16.850 -3.549 -2.747 1.00 0.32 N ATOM 594 CA ASP A 44 16.203 -4.833 -2.892 1.00 0.33 C ATOM 595 C ASP A 44 15.054 -4.724 -3.876 1.00 0.32 C ATOM 596 O ASP A 44 13.969 -4.336 -3.494 1.00 0.33 O ATOM 597 CB ASP A 44 15.679 -5.345 -1.552 1.00 0.40 C ATOM 598 CG ASP A 44 15.236 -6.801 -1.604 1.00 0.46 C ATOM 599 OD1 ASP A 44 15.133 -7.351 -2.724 1.00 0.52 O ATOM 600 OD2 ASP A 44 14.979 -7.405 -0.535 1.00 1.11 O ATOM 0 H ASP A 44 16.211 -2.761 -2.637 1.00 0.32 H new ATOM 0 HA ASP A 44 16.943 -5.541 -3.265 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.458 -5.235 -0.797 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.839 -4.726 -1.236 1.00 0.40 H new ATOM 605 N PRO A 45 15.284 -5.050 -5.157 1.00 0.41 N ATOM 606 CA PRO A 45 14.265 -4.922 -6.209 1.00 0.49 C ATOM 607 C PRO A 45 13.127 -5.932 -6.070 1.00 0.47 C ATOM 608 O PRO A 45 12.042 -5.739 -6.617 1.00 0.59 O ATOM 609 CB PRO A 45 15.052 -5.201 -7.489 1.00 0.64 C ATOM 610 CG PRO A 45 16.168 -6.072 -7.041 1.00 0.63 C ATOM 611 CD PRO A 45 16.555 -5.556 -5.691 1.00 0.52 C ATOM 0 HA PRO A 45 13.779 -3.947 -6.176 1.00 0.49 H new ATOM 0 HB2 PRO A 45 14.434 -5.697 -8.237 1.00 0.64 H new ATOM 0 HB3 PRO A 45 15.421 -4.280 -7.940 1.00 0.64 H new ATOM 0 HG2 PRO A 45 15.856 -7.115 -6.989 1.00 0.63 H new ATOM 0 HG3 PRO A 45 17.007 -6.025 -7.735 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.973 -6.342 -5.062 1.00 0.52 H new ATOM 0 HD3 PRO A 45 17.306 -4.769 -5.759 1.00 0.52 H new ATOM 619 N THR A 46 13.376 -7.007 -5.337 1.00 0.39 N ATOM 620 CA THR A 46 12.383 -8.060 -5.153 1.00 0.40 C ATOM 621 C THR A 46 11.526 -7.773 -3.940 1.00 0.40 C ATOM 622 O THR A 46 11.100 -8.673 -3.216 1.00 0.42 O ATOM 623 CB THR A 46 13.047 -9.431 -5.020 1.00 0.42 C ATOM 624 OG1 THR A 46 14.044 -9.417 -3.985 1.00 0.45 O ATOM 625 CG2 THR A 46 13.679 -9.811 -6.339 1.00 0.46 C ATOM 0 H THR A 46 14.260 -7.175 -4.857 1.00 0.39 H new ATOM 0 HA THR A 46 11.747 -8.077 -6.038 1.00 0.40 H new ATOM 0 HB THR A 46 12.287 -10.165 -4.751 1.00 0.42 H new ATOM 0 HG1 THR A 46 14.054 -8.538 -3.553 1.00 0.45 H new ATOM 0 HG21 THR A 46 14.153 -10.788 -6.247 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.912 -9.851 -7.112 1.00 0.46 H new ATOM 0 HG23 THR A 46 14.429 -9.068 -6.611 1.00 0.46 H new ATOM 633 N ASN A 47 11.293 -6.501 -3.736 1.00 0.52 N ATOM 634 CA ASN A 47 10.635 -6.002 -2.565 1.00 0.56 C ATOM 635 C ASN A 47 9.155 -5.764 -2.806 1.00 0.56 C ATOM 636 O ASN A 47 8.764 -5.031 -3.711 1.00 0.89 O ATOM 637 CB ASN A 47 11.318 -4.705 -2.190 1.00 0.78 C ATOM 638 CG ASN A 47 11.064 -3.598 -3.192 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.701 -3.500 -4.233 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.114 -2.762 -2.877 1.00 1.47 N ATOM 0 H ASN A 47 11.563 -5.772 -4.396 1.00 0.52 H new ATOM 0 HA ASN A 47 10.706 -6.736 -1.762 1.00 0.56 H new ATOM 0 HB2 ASN A 47 10.969 -4.387 -1.207 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.391 -4.875 -2.108 1.00 0.78 H new ATOM 0 HD21 ASN A 47 9.880 -1.995 -3.507 1.00 1.47 H new ATOM 0 HD22 ASN A 47 9.605 -2.875 -2.001 1.00 1.47 H new ATOM 647 N MET A 48 8.317 -6.435 -2.050 1.00 0.29 N ATOM 648 CA MET A 48 6.933 -6.031 -1.986 1.00 0.26 C ATOM 649 C MET A 48 6.807 -4.861 -1.009 1.00 0.24 C ATOM 650 O MET A 48 6.174 -3.847 -1.301 1.00 0.24 O ATOM 651 CB MET A 48 6.019 -7.211 -1.612 1.00 0.22 C ATOM 652 CG MET A 48 5.508 -7.237 -0.175 1.00 0.19 C ATOM 653 SD MET A 48 4.189 -6.048 0.141 1.00 1.05 S ATOM 654 CE MET A 48 3.035 -6.483 -1.148 1.00 0.27 C ATOM 0 H MET A 48 8.562 -7.246 -1.482 1.00 0.29 H new ATOM 0 HA MET A 48 6.601 -5.700 -2.970 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.159 -7.204 -2.282 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.561 -8.138 -1.800 1.00 0.22 H new ATOM 0 HG2 MET A 48 5.146 -8.239 0.055 1.00 0.19 H new ATOM 0 HG3 MET A 48 6.339 -7.035 0.501 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.025 -6.508 -0.739 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.085 -5.742 -1.946 1.00 0.27 H new ATOM 0 HE3 MET A 48 3.289 -7.465 -1.548 1.00 0.27 H new ATOM 664 N THR A 49 7.479 -4.992 0.131 1.00 0.24 N ATOM 665 CA THR A 49 7.313 -4.062 1.240 1.00 0.26 C ATOM 666 C THR A 49 7.809 -2.652 0.900 1.00 0.28 C ATOM 667 O THR A 49 7.142 -1.663 1.209 1.00 0.39 O ATOM 668 CB THR A 49 8.047 -4.577 2.496 1.00 0.29 C ATOM 669 OG1 THR A 49 7.579 -5.888 2.839 1.00 0.71 O ATOM 670 CG2 THR A 49 7.845 -3.642 3.678 1.00 0.64 C ATOM 0 H THR A 49 8.149 -5.740 0.310 1.00 0.24 H new ATOM 0 HA THR A 49 6.243 -4.001 1.438 1.00 0.26 H new ATOM 0 HB THR A 49 9.112 -4.616 2.265 1.00 0.29 H new ATOM 0 HG1 THR A 49 8.048 -6.555 2.296 1.00 0.71 H new ATOM 0 HG21 THR A 49 8.375 -4.034 4.546 1.00 0.64 H new ATOM 0 HG22 THR A 49 8.234 -2.654 3.431 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.782 -3.567 3.905 1.00 0.64 H new ATOM 678 N TYR A 50 8.976 -2.546 0.264 1.00 0.23 N ATOM 679 CA TYR A 50 9.526 -1.227 -0.065 1.00 0.23 C ATOM 680 C TYR A 50 8.666 -0.533 -1.118 1.00 0.26 C ATOM 681 O TYR A 50 8.715 0.683 -1.260 1.00 0.42 O ATOM 682 CB TYR A 50 10.993 -1.316 -0.530 1.00 0.21 C ATOM 683 CG TYR A 50 11.893 -2.073 0.421 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.842 -1.844 1.784 1.00 0.28 C ATOM 685 CD2 TYR A 50 12.787 -3.029 -0.048 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.647 -2.545 2.655 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.597 -3.733 0.814 1.00 0.31 C ATOM 688 CZ TYR A 50 13.524 -3.490 2.166 1.00 0.34 C ATOM 689 OH TYR A 50 14.321 -4.201 3.030 1.00 0.44 O ATOM 0 H TYR A 50 9.549 -3.337 -0.029 1.00 0.23 H new ATOM 0 HA TYR A 50 9.510 -0.630 0.847 1.00 0.23 H new ATOM 0 HB2 TYR A 50 11.025 -1.798 -1.507 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.385 -0.307 -0.660 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.159 -1.103 2.172 1.00 0.28 H new ATOM 0 HD2 TYR A 50 12.847 -3.223 -1.109 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.591 -2.355 3.717 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.286 -4.472 0.431 1.00 0.31 H new ATOM 0 HH TYR A 50 14.879 -4.826 2.521 1.00 0.44 H new ATOM 699 N ILE A 51 7.851 -1.303 -1.837 1.00 0.18 N ATOM 700 CA ILE A 51 6.975 -0.732 -2.849 1.00 0.19 C ATOM 701 C ILE A 51 5.677 -0.238 -2.216 1.00 0.19 C ATOM 702 O ILE A 51 5.207 0.857 -2.515 1.00 0.22 O ATOM 703 CB ILE A 51 6.637 -1.737 -3.972 1.00 0.20 C ATOM 704 CG1 ILE A 51 7.877 -2.128 -4.762 1.00 0.25 C ATOM 705 CG2 ILE A 51 5.601 -1.152 -4.911 1.00 0.21 C ATOM 706 CD1 ILE A 51 7.599 -3.111 -5.881 1.00 0.33 C ATOM 0 H ILE A 51 7.782 -2.316 -1.736 1.00 0.18 H new ATOM 0 HA ILE A 51 7.517 0.103 -3.293 1.00 0.19 H new ATOM 0 HB ILE A 51 6.234 -2.633 -3.499 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.328 -1.229 -5.183 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.609 -2.563 -4.081 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.374 -1.873 -5.697 1.00 0.21 H new ATOM 0 HG22 ILE A 51 4.692 -0.924 -4.354 1.00 0.21 H new ATOM 0 HG23 ILE A 51 5.991 -0.238 -5.359 1.00 0.21 H new ATOM 0 HD11 ILE A 51 8.529 -3.344 -6.400 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.177 -4.026 -5.465 1.00 0.33 H new ATOM 0 HD13 ILE A 51 6.891 -2.672 -6.584 1.00 0.33 H new ATOM 718 N THR A 52 5.111 -1.045 -1.329 1.00 0.20 N ATOM 719 CA THR A 52 3.853 -0.703 -0.679 1.00 0.24 C ATOM 720 C THR A 52 4.015 0.517 0.217 1.00 0.24 C ATOM 721 O THR A 52 3.115 1.349 0.323 1.00 0.27 O ATOM 722 CB THR A 52 3.323 -1.876 0.158 1.00 0.27 C ATOM 723 OG1 THR A 52 4.287 -2.248 1.149 1.00 0.28 O ATOM 724 CG2 THR A 52 3.021 -3.064 -0.720 1.00 0.26 C ATOM 0 H THR A 52 5.503 -1.942 -1.043 1.00 0.20 H new ATOM 0 HA THR A 52 3.136 -0.477 -1.468 1.00 0.24 H new ATOM 0 HB THR A 52 2.403 -1.557 0.647 1.00 0.27 H new ATOM 0 HG1 THR A 52 3.826 -2.607 1.936 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.647 -3.884 -0.107 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.267 -2.789 -1.458 1.00 0.26 H new ATOM 0 HG23 THR A 52 3.931 -3.379 -1.231 1.00 0.26 H new ATOM 732 N ASN A 53 5.167 0.613 0.862 1.00 0.25 N ATOM 733 CA ASN A 53 5.475 1.761 1.697 1.00 0.27 C ATOM 734 C ASN A 53 5.707 2.997 0.840 1.00 0.24 C ATOM 735 O ASN A 53 5.401 4.114 1.255 1.00 0.27 O ATOM 736 CB ASN A 53 6.687 1.475 2.581 1.00 0.34 C ATOM 737 CG ASN A 53 6.320 0.696 3.832 1.00 0.81 C ATOM 738 OD1 ASN A 53 6.004 1.278 4.871 1.00 1.59 O ATOM 739 ND2 ASN A 53 6.355 -0.623 3.743 1.00 1.42 N ATOM 0 H ASN A 53 5.904 -0.091 0.823 1.00 0.25 H new ATOM 0 HA ASN A 53 4.621 1.953 2.347 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.425 0.913 2.010 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.155 2.417 2.867 1.00 0.34 H new ATOM 0 HD21 ASN A 53 6.115 -1.195 4.553 1.00 1.42 H new ATOM 0 HD22 ASN A 53 6.622 -1.068 2.865 1.00 1.42 H new ATOM 746 N GLN A 54 6.239 2.794 -0.362 1.00 0.23 N ATOM 747 CA GLN A 54 6.324 3.869 -1.344 1.00 0.25 C ATOM 748 C GLN A 54 4.929 4.333 -1.724 1.00 0.25 C ATOM 749 O GLN A 54 4.647 5.530 -1.774 1.00 0.28 O ATOM 750 CB GLN A 54 7.044 3.409 -2.605 1.00 0.27 C ATOM 751 CG GLN A 54 8.549 3.371 -2.482 1.00 0.40 C ATOM 752 CD GLN A 54 9.210 3.084 -3.812 1.00 0.62 C ATOM 753 OE1 GLN A 54 9.476 3.994 -4.594 1.00 1.27 O ATOM 754 NE2 GLN A 54 9.484 1.817 -4.073 1.00 1.34 N ATOM 0 H GLN A 54 6.616 1.900 -0.678 1.00 0.23 H new ATOM 0 HA GLN A 54 6.886 4.687 -0.893 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.688 2.414 -2.870 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.775 4.073 -3.426 1.00 0.27 H new ATOM 0 HG2 GLN A 54 8.907 4.325 -2.096 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.836 2.607 -1.760 1.00 0.40 H new ATOM 0 HE21 GLN A 54 9.246 1.093 -3.395 1.00 1.34 H new ATOM 0 HE22 GLN A 54 9.934 1.563 -4.953 1.00 1.34 H new ATOM 763 N ALA A 55 4.070 3.362 -2.001 1.00 0.24 N ATOM 764 CA ALA A 55 2.686 3.624 -2.355 1.00 0.25 C ATOM 765 C ALA A 55 1.993 4.434 -1.267 1.00 0.26 C ATOM 766 O ALA A 55 1.245 5.367 -1.553 1.00 0.30 O ATOM 767 CB ALA A 55 1.967 2.308 -2.586 1.00 0.24 C ATOM 0 H ALA A 55 4.315 2.372 -1.986 1.00 0.24 H new ATOM 0 HA ALA A 55 2.659 4.212 -3.273 1.00 0.25 H new ATOM 0 HB1 ALA A 55 0.928 2.503 -2.852 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.453 1.765 -3.397 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.003 1.709 -1.676 1.00 0.24 H new ATOM 773 N ALA A 56 2.269 4.072 -0.016 1.00 0.26 N ATOM 774 CA ALA A 56 1.748 4.799 1.136 1.00 0.27 C ATOM 775 C ALA A 56 2.143 6.265 1.073 1.00 0.26 C ATOM 776 O ALA A 56 1.360 7.142 1.442 1.00 0.30 O ATOM 777 CB ALA A 56 2.248 4.182 2.431 1.00 0.29 C ATOM 0 H ALA A 56 2.855 3.273 0.225 1.00 0.26 H new ATOM 0 HA ALA A 56 0.660 4.730 1.112 1.00 0.27 H new ATOM 0 HB1 ALA A 56 1.848 4.739 3.278 1.00 0.29 H new ATOM 0 HB2 ALA A 56 1.918 3.145 2.491 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.337 4.219 2.455 1.00 0.29 H new ATOM 783 N VAL A 57 3.358 6.529 0.600 1.00 0.26 N ATOM 784 CA VAL A 57 3.812 7.896 0.442 1.00 0.27 C ATOM 785 C VAL A 57 2.981 8.606 -0.603 1.00 0.26 C ATOM 786 O VAL A 57 2.505 9.703 -0.367 1.00 0.30 O ATOM 787 CB VAL A 57 5.288 8.018 0.032 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.646 9.479 -0.090 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.199 7.324 1.024 1.00 0.30 C ATOM 0 H VAL A 57 4.035 5.818 0.324 1.00 0.26 H new ATOM 0 HA VAL A 57 3.699 8.353 1.425 1.00 0.27 H new ATOM 0 HB VAL A 57 5.428 7.525 -0.930 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.692 9.574 -0.381 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.015 9.946 -0.846 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.489 9.973 0.869 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.235 7.430 0.703 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.076 7.776 2.008 1.00 0.30 H new ATOM 0 HG23 VAL A 57 5.942 6.266 1.076 1.00 0.30 H new ATOM 799 N TYR A 58 2.816 7.975 -1.757 1.00 0.25 N ATOM 800 CA TYR A 58 2.011 8.542 -2.833 1.00 0.27 C ATOM 801 C TYR A 58 0.604 8.838 -2.349 1.00 0.28 C ATOM 802 O TYR A 58 0.017 9.849 -2.716 1.00 0.29 O ATOM 803 CB TYR A 58 1.961 7.594 -4.018 1.00 0.27 C ATOM 804 CG TYR A 58 3.249 7.525 -4.795 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.602 8.522 -5.687 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.117 6.462 -4.629 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.785 8.462 -6.390 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.302 6.394 -5.324 1.00 0.30 C ATOM 809 CZ TYR A 58 5.610 7.399 -6.248 1.00 0.33 C ATOM 810 OH TYR A 58 6.822 7.343 -6.899 1.00 0.37 O ATOM 0 H TYR A 58 3.229 7.068 -1.974 1.00 0.25 H new ATOM 0 HA TYR A 58 2.477 9.475 -3.148 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.708 6.595 -3.662 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.160 7.906 -4.688 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.939 9.361 -5.835 1.00 0.35 H new ATOM 0 HD2 TYR A 58 3.860 5.670 -3.941 1.00 0.28 H new ATOM 0 HE1 TYR A 58 5.055 9.267 -7.057 1.00 0.38 H new ATOM 0 HE2 TYR A 58 5.986 5.575 -5.159 1.00 0.30 H new ATOM 0 HH TYR A 58 7.276 6.504 -6.674 1.00 0.37 H new ATOM 820 N PHE A 59 0.082 7.956 -1.512 1.00 0.30 N ATOM 821 CA PHE A 59 -1.221 8.152 -0.902 1.00 0.32 C ATOM 822 C PHE A 59 -1.237 9.458 -0.109 1.00 0.35 C ATOM 823 O PHE A 59 -2.160 10.263 -0.231 1.00 0.42 O ATOM 824 CB PHE A 59 -1.546 6.970 0.005 1.00 0.33 C ATOM 825 CG PHE A 59 -2.984 6.916 0.437 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.441 7.689 1.494 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.879 6.094 -0.222 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.764 7.641 1.883 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.202 6.040 0.163 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.646 6.816 1.216 1.00 0.47 C ATOM 0 H PHE A 59 0.547 7.090 -1.238 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.979 8.214 -1.683 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.298 6.045 -0.516 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.912 7.018 0.890 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.753 8.336 2.019 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.538 5.487 -1.048 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -5.108 8.248 2.708 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.891 5.391 -0.358 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.683 6.777 1.517 1.00 0.47 H new ATOM 840 N GLU A 60 -0.192 9.667 0.682 1.00 0.34 N ATOM 841 CA GLU A 60 -0.039 10.892 1.460 1.00 0.37 C ATOM 842 C GLU A 60 0.305 12.072 0.553 1.00 0.35 C ATOM 843 O GLU A 60 -0.004 13.225 0.859 1.00 0.41 O ATOM 844 CB GLU A 60 1.051 10.707 2.504 1.00 0.39 C ATOM 845 CG GLU A 60 0.750 9.596 3.491 1.00 0.44 C ATOM 846 CD GLU A 60 -0.467 9.877 4.343 1.00 0.91 C ATOM 847 OE1 GLU A 60 -0.342 10.613 5.345 1.00 1.42 O ATOM 848 OE2 GLU A 60 -1.561 9.376 4.011 1.00 1.07 O ATOM 0 H GLU A 60 0.569 8.998 0.803 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.985 11.105 1.958 1.00 0.37 H new ATOM 0 HB2 GLU A 60 1.994 10.492 2.001 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.186 11.641 3.049 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.598 8.664 2.946 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.614 9.449 4.139 1.00 0.44 H new ATOM 855 N LYS A 61 0.953 11.764 -0.562 1.00 0.32 N ATOM 856 CA LYS A 61 1.338 12.762 -1.549 1.00 0.33 C ATOM 857 C LYS A 61 0.113 13.283 -2.296 1.00 0.35 C ATOM 858 O LYS A 61 0.135 14.376 -2.857 1.00 0.40 O ATOM 859 CB LYS A 61 2.332 12.167 -2.555 1.00 0.33 C ATOM 860 CG LYS A 61 3.739 11.977 -2.002 1.00 0.48 C ATOM 861 CD LYS A 61 4.799 12.152 -3.083 1.00 0.49 C ATOM 862 CE LYS A 61 4.743 11.056 -4.141 1.00 0.36 C ATOM 863 NZ LYS A 61 5.137 11.574 -5.480 1.00 1.10 N ATOM 0 H LYS A 61 1.227 10.813 -0.808 1.00 0.32 H new ATOM 0 HA LYS A 61 1.812 13.590 -1.021 1.00 0.33 H new ATOM 0 HB2 LYS A 61 1.954 11.203 -2.896 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.381 12.817 -3.428 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.915 12.695 -1.201 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.827 10.983 -1.564 1.00 0.48 H new ATOM 0 HD2 LYS A 61 4.667 13.122 -3.562 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.786 12.156 -2.621 1.00 0.49 H new ATOM 0 HE2 LYS A 61 5.405 10.239 -3.856 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.734 10.646 -4.190 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 5.401 10.779 -6.096 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 4.338 12.089 -5.902 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 5.948 12.217 -5.379 1.00 1.10 H new ATOM 877 N GLY A 62 -0.951 12.486 -2.300 1.00 0.34 N ATOM 878 CA GLY A 62 -2.151 12.841 -3.030 1.00 0.36 C ATOM 879 C GLY A 62 -2.262 12.070 -4.327 1.00 0.33 C ATOM 880 O GLY A 62 -3.244 12.200 -5.060 1.00 0.35 O ATOM 0 H GLY A 62 -1.002 11.595 -1.806 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.026 12.642 -2.412 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.146 13.910 -3.241 1.00 0.36 H new ATOM 884 N ASP A 63 -1.257 11.252 -4.601 1.00 0.31 N ATOM 885 CA ASP A 63 -1.223 10.450 -5.814 1.00 0.30 C ATOM 886 C ASP A 63 -1.855 9.087 -5.545 1.00 0.27 C ATOM 887 O ASP A 63 -1.154 8.096 -5.320 1.00 0.32 O ATOM 888 CB ASP A 63 0.219 10.269 -6.311 1.00 0.32 C ATOM 889 CG ASP A 63 0.283 9.887 -7.779 1.00 0.84 C ATOM 890 OD1 ASP A 63 -0.582 9.111 -8.243 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.203 10.360 -8.478 1.00 1.26 O ATOM 0 H ASP A 63 -0.447 11.126 -3.993 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.789 10.968 -6.588 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.773 11.195 -6.155 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.711 9.499 -5.717 1.00 0.32 H new ATOM 896 N TYR A 64 -3.183 9.043 -5.561 1.00 0.27 N ATOM 897 CA TYR A 64 -3.910 7.815 -5.254 1.00 0.28 C ATOM 898 C TYR A 64 -3.745 6.795 -6.370 1.00 0.29 C ATOM 899 O TYR A 64 -3.754 5.585 -6.130 1.00 0.34 O ATOM 900 CB TYR A 64 -5.396 8.111 -4.991 1.00 0.29 C ATOM 901 CG TYR A 64 -5.591 9.126 -3.887 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.265 8.816 -2.572 1.00 0.33 C ATOM 903 CD2 TYR A 64 -6.074 10.400 -4.159 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.416 9.742 -1.562 1.00 0.36 C ATOM 905 CE2 TYR A 64 -6.226 11.335 -3.153 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.894 11.001 -1.856 1.00 0.38 C ATOM 907 OH TYR A 64 -6.041 11.927 -0.850 1.00 0.43 O ATOM 0 H TYR A 64 -3.778 9.842 -5.783 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.487 7.388 -4.345 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.859 8.480 -5.907 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.907 7.186 -4.726 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.887 7.832 -2.337 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.335 10.664 -5.173 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.161 9.482 -0.545 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.602 12.321 -3.381 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.387 12.764 -1.224 1.00 0.43 H new ATOM 917 N ASN A 65 -3.551 7.290 -7.586 1.00 0.31 N ATOM 918 CA ASN A 65 -3.377 6.418 -8.738 1.00 0.37 C ATOM 919 C ASN A 65 -2.065 5.657 -8.651 1.00 0.33 C ATOM 920 O ASN A 65 -1.992 4.495 -9.043 1.00 0.34 O ATOM 921 CB ASN A 65 -3.441 7.208 -10.044 1.00 0.47 C ATOM 922 CG ASN A 65 -4.851 7.647 -10.393 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.584 6.937 -11.079 1.00 1.66 O ATOM 924 ND2 ASN A 65 -5.239 8.827 -9.940 1.00 2.18 N ATOM 0 H ASN A 65 -3.510 8.287 -7.798 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.197 5.700 -8.731 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -2.800 8.086 -9.965 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -3.044 6.596 -10.854 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -6.173 9.175 -10.157 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -4.604 9.390 -9.373 1.00 2.18 H new ATOM 931 N LYS A 66 -1.028 6.303 -8.131 1.00 0.34 N ATOM 932 CA LYS A 66 0.259 5.642 -7.973 1.00 0.32 C ATOM 933 C LYS A 66 0.237 4.692 -6.786 1.00 0.31 C ATOM 934 O LYS A 66 0.882 3.645 -6.809 1.00 0.32 O ATOM 935 CB LYS A 66 1.380 6.643 -7.760 1.00 0.29 C ATOM 936 CG LYS A 66 2.760 6.017 -7.873 1.00 0.40 C ATOM 937 CD LYS A 66 3.082 5.546 -9.279 1.00 0.63 C ATOM 938 CE LYS A 66 4.503 5.010 -9.347 1.00 0.42 C ATOM 939 NZ LYS A 66 4.881 4.584 -10.719 1.00 0.68 N ATOM 0 H LYS A 66 -1.053 7.273 -7.815 1.00 0.34 H new ATOM 0 HA LYS A 66 0.441 5.088 -8.894 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.289 7.445 -8.493 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.272 7.098 -6.775 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.510 6.743 -7.558 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.827 5.172 -7.188 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.379 4.769 -9.579 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.964 6.371 -9.982 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.195 5.779 -9.004 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.603 4.165 -8.666 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.858 4.226 -10.715 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 4.238 3.832 -11.038 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.812 5.396 -11.366 1.00 0.68 H new ATOM 953 N CYS A 67 -0.488 5.068 -5.740 1.00 0.31 N ATOM 954 CA CYS A 67 -0.577 4.238 -4.549 1.00 0.32 C ATOM 955 C CYS A 67 -1.185 2.882 -4.890 1.00 0.36 C ATOM 956 O CYS A 67 -0.626 1.837 -4.550 1.00 0.39 O ATOM 957 CB CYS A 67 -1.394 4.935 -3.461 1.00 0.33 C ATOM 958 SG CYS A 67 -1.714 3.913 -2.003 1.00 1.29 S ATOM 0 H CYS A 67 -1.019 5.937 -5.693 1.00 0.31 H new ATOM 0 HA CYS A 67 0.431 4.079 -4.166 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.868 5.837 -3.150 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.347 5.252 -3.885 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.997 3.778 -1.840 1.00 1.29 H new ATOM 964 N ARG A 68 -2.315 2.899 -5.589 1.00 0.38 N ATOM 965 CA ARG A 68 -2.950 1.664 -6.028 1.00 0.45 C ATOM 966 C ARG A 68 -2.066 0.964 -7.062 1.00 0.42 C ATOM 967 O ARG A 68 -2.057 -0.263 -7.164 1.00 0.48 O ATOM 968 CB ARG A 68 -4.340 1.952 -6.611 1.00 0.60 C ATOM 969 CG ARG A 68 -4.312 2.616 -7.977 1.00 1.00 C ATOM 970 CD ARG A 68 -5.709 2.910 -8.494 1.00 1.21 C ATOM 971 NE ARG A 68 -5.709 3.145 -9.936 1.00 1.92 N ATOM 972 CZ ARG A 68 -6.684 3.767 -10.598 1.00 2.48 C ATOM 973 NH1 ARG A 68 -7.716 4.289 -9.946 1.00 2.64 N ATOM 974 NH2 ARG A 68 -6.615 3.885 -11.919 1.00 3.39 N ATOM 0 H ARG A 68 -2.807 3.750 -5.862 1.00 0.38 H new ATOM 0 HA ARG A 68 -3.073 1.005 -5.168 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.893 1.015 -6.685 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -4.888 2.592 -5.919 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -3.744 3.545 -7.917 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -3.792 1.970 -8.684 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -6.368 2.073 -8.261 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -6.111 3.784 -7.982 1.00 1.21 H new ATOM 0 HE ARG A 68 -4.909 2.810 -10.472 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -7.767 4.216 -8.930 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -8.458 4.763 -10.461 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -5.817 3.500 -12.424 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -7.360 4.361 -12.428 1.00 3.39 H new ATOM 988 N GLU A 69 -1.307 1.771 -7.803 1.00 0.38 N ATOM 989 CA GLU A 69 -0.403 1.276 -8.833 1.00 0.37 C ATOM 990 C GLU A 69 0.684 0.401 -8.223 1.00 0.31 C ATOM 991 O GLU A 69 0.849 -0.763 -8.590 1.00 0.34 O ATOM 992 CB GLU A 69 0.250 2.459 -9.566 1.00 0.38 C ATOM 993 CG GLU A 69 1.054 2.048 -10.785 1.00 0.67 C ATOM 994 CD GLU A 69 0.189 1.404 -11.847 1.00 1.20 C ATOM 995 OE1 GLU A 69 -0.603 2.119 -12.497 1.00 1.19 O ATOM 996 OE2 GLU A 69 0.307 0.178 -12.047 1.00 2.08 O ATOM 0 H GLU A 69 -1.304 2.786 -7.704 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.982 0.679 -9.537 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.527 3.159 -9.873 1.00 0.38 H new ATOM 0 HB3 GLU A 69 0.902 2.990 -8.873 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.550 2.924 -11.204 1.00 0.67 H new ATOM 0 HG3 GLU A 69 1.837 1.352 -10.484 1.00 0.67 H new ATOM 1003 N LEU A 70 1.410 0.974 -7.282 1.00 0.24 N ATOM 1004 CA LEU A 70 2.551 0.310 -6.687 1.00 0.21 C ATOM 1005 C LEU A 70 2.141 -0.873 -5.831 1.00 0.22 C ATOM 1006 O LEU A 70 2.802 -1.901 -5.855 1.00 0.23 O ATOM 1007 CB LEU A 70 3.359 1.292 -5.850 1.00 0.20 C ATOM 1008 CG LEU A 70 4.154 2.326 -6.636 1.00 0.21 C ATOM 1009 CD1 LEU A 70 4.965 3.175 -5.682 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.062 1.652 -7.655 1.00 0.24 C ATOM 0 H LEU A 70 1.226 1.906 -6.911 1.00 0.24 H new ATOM 0 HA LEU A 70 3.165 -0.067 -7.505 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.678 1.816 -5.179 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.050 0.727 -5.225 1.00 0.20 H new ATOM 0 HG LEU A 70 3.458 2.965 -7.180 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.533 3.914 -6.246 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.295 3.684 -4.989 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.651 2.539 -5.123 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.619 2.411 -8.204 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.759 0.991 -7.140 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.458 1.070 -8.352 1.00 0.24 H new ATOM 1022 N CYS A 71 1.062 -0.737 -5.076 1.00 0.24 N ATOM 1023 CA CYS A 71 0.645 -1.801 -4.173 1.00 0.25 C ATOM 1024 C CYS A 71 0.424 -3.115 -4.915 1.00 0.24 C ATOM 1025 O CYS A 71 0.939 -4.147 -4.499 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.607 -1.403 -3.406 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.373 -0.021 -2.266 1.00 1.10 S ATOM 0 H CYS A 71 0.464 0.089 -5.069 1.00 0.24 H new ATOM 0 HA CYS A 71 1.454 -1.956 -3.459 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.388 -1.142 -4.120 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.964 -2.266 -2.844 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.626 1.096 -2.881 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.310 -3.075 -6.023 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.561 -4.278 -6.817 1.00 0.26 C ATOM 1035 C GLU A 72 0.746 -4.832 -7.394 1.00 0.23 C ATOM 1036 O GLU A 72 0.946 -6.045 -7.454 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.553 -3.959 -7.932 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.865 -4.724 -7.831 1.00 0.87 C ATOM 1039 CD GLU A 72 -2.744 -6.167 -8.275 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -2.321 -7.017 -7.466 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -3.077 -6.459 -9.445 1.00 1.68 O ATOM 0 H GLU A 72 -0.741 -2.227 -6.392 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.990 -5.044 -6.171 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.766 -2.890 -7.920 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -1.088 -4.181 -8.893 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -3.218 -4.695 -6.800 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.618 -4.224 -8.440 1.00 0.87 H new ATOM 1048 N LYS A 73 1.641 -3.934 -7.795 1.00 0.23 N ATOM 1049 CA LYS A 73 2.966 -4.325 -8.271 1.00 0.23 C ATOM 1050 C LYS A 73 3.744 -5.014 -7.160 1.00 0.20 C ATOM 1051 O LYS A 73 4.341 -6.069 -7.369 1.00 0.21 O ATOM 1052 CB LYS A 73 3.747 -3.102 -8.770 1.00 0.27 C ATOM 1053 CG LYS A 73 5.251 -3.329 -8.905 1.00 0.33 C ATOM 1054 CD LYS A 73 5.662 -3.772 -10.305 1.00 0.57 C ATOM 1055 CE LYS A 73 5.131 -5.150 -10.680 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.608 -6.217 -9.774 1.00 1.23 N ATOM 0 H LYS A 73 1.473 -2.928 -7.800 1.00 0.23 H new ATOM 0 HA LYS A 73 2.837 -5.020 -9.101 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.348 -2.802 -9.739 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.577 -2.272 -8.084 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.776 -2.408 -8.652 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.565 -4.083 -8.184 1.00 0.33 H new ATOM 0 HD2 LYS A 73 5.302 -3.042 -11.030 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.750 -3.779 -10.372 1.00 0.57 H new ATOM 0 HE2 LYS A 73 4.041 -5.130 -10.667 1.00 0.60 H new ATOM 0 HE3 LYS A 73 5.433 -5.385 -11.701 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 5.419 -7.146 -10.202 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 6.631 -6.109 -9.619 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 5.110 -6.147 -8.863 1.00 1.23 H new ATOM 1070 N ALA A 74 3.736 -4.404 -5.985 1.00 0.19 N ATOM 1071 CA ALA A 74 4.397 -4.963 -4.821 1.00 0.17 C ATOM 1072 C ALA A 74 3.809 -6.314 -4.494 1.00 0.16 C ATOM 1073 O ALA A 74 4.530 -7.259 -4.226 1.00 0.16 O ATOM 1074 CB ALA A 74 4.252 -4.036 -3.627 1.00 0.18 C ATOM 0 H ALA A 74 3.273 -3.512 -5.814 1.00 0.19 H new ATOM 0 HA ALA A 74 5.457 -5.076 -5.047 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.754 -4.473 -2.764 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.702 -3.071 -3.859 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.195 -3.898 -3.400 1.00 0.18 H new ATOM 1080 N ILE A 75 2.490 -6.394 -4.526 1.00 0.16 N ATOM 1081 CA ILE A 75 1.793 -7.642 -4.285 1.00 0.16 C ATOM 1082 C ILE A 75 2.245 -8.701 -5.274 1.00 0.17 C ATOM 1083 O ILE A 75 2.513 -9.834 -4.894 1.00 0.18 O ATOM 1084 CB ILE A 75 0.269 -7.455 -4.382 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.217 -6.561 -3.249 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.448 -8.789 -4.343 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.710 -6.364 -3.240 1.00 0.23 C ATOM 0 H ILE A 75 1.877 -5.601 -4.718 1.00 0.16 H new ATOM 0 HA ILE A 75 2.036 -7.969 -3.274 1.00 0.16 H new ATOM 0 HB ILE A 75 0.042 -6.979 -5.336 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.090 -6.994 -2.297 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.270 -5.589 -3.329 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.523 -8.626 -4.413 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.119 -9.404 -5.181 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.219 -9.298 -3.407 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.987 -5.717 -2.407 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -2.022 -5.903 -4.177 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.204 -7.329 -3.129 1.00 0.23 H new ATOM 1099 N GLU A 76 2.352 -8.313 -6.533 1.00 0.18 N ATOM 1100 CA GLU A 76 2.821 -9.216 -7.574 1.00 0.21 C ATOM 1101 C GLU A 76 4.241 -9.699 -7.261 1.00 0.20 C ATOM 1102 O GLU A 76 4.562 -10.877 -7.422 1.00 0.24 O ATOM 1103 CB GLU A 76 2.794 -8.496 -8.919 1.00 0.24 C ATOM 1104 CG GLU A 76 3.033 -9.402 -10.110 1.00 0.77 C ATOM 1105 CD GLU A 76 3.147 -8.626 -11.400 1.00 1.47 C ATOM 1106 OE1 GLU A 76 4.252 -8.133 -11.716 1.00 2.35 O ATOM 1107 OE2 GLU A 76 2.129 -8.507 -12.110 1.00 1.62 O ATOM 0 H GLU A 76 2.120 -7.376 -6.862 1.00 0.18 H new ATOM 0 HA GLU A 76 2.165 -10.085 -7.616 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.828 -8.005 -9.037 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.551 -7.712 -8.915 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.946 -9.976 -9.951 1.00 0.77 H new ATOM 0 HG3 GLU A 76 2.216 -10.119 -10.190 1.00 0.77 H new ATOM 1114 N VAL A 77 5.070 -8.771 -6.796 1.00 0.21 N ATOM 1115 CA VAL A 77 6.459 -9.052 -6.438 1.00 0.22 C ATOM 1116 C VAL A 77 6.543 -9.936 -5.187 1.00 0.21 C ATOM 1117 O VAL A 77 7.308 -10.899 -5.138 1.00 0.24 O ATOM 1118 CB VAL A 77 7.215 -7.723 -6.188 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.546 -7.957 -5.494 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.428 -6.961 -7.490 1.00 0.25 C ATOM 0 H VAL A 77 4.798 -7.798 -6.656 1.00 0.21 H new ATOM 0 HA VAL A 77 6.921 -9.589 -7.267 1.00 0.22 H new ATOM 0 HB VAL A 77 6.592 -7.119 -5.528 1.00 0.22 H new ATOM 0 HG11 VAL A 77 9.047 -7.002 -5.336 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.375 -8.441 -4.532 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.173 -8.597 -6.115 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.961 -6.032 -7.285 1.00 0.25 H new ATOM 0 HG22 VAL A 77 8.014 -7.571 -8.177 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.462 -6.733 -7.940 1.00 0.25 H new ATOM 1130 N GLY A 78 5.743 -9.606 -4.186 1.00 0.19 N ATOM 1131 CA GLY A 78 5.751 -10.350 -2.946 1.00 0.21 C ATOM 1132 C GLY A 78 5.140 -11.718 -3.104 1.00 0.21 C ATOM 1133 O GLY A 78 5.635 -12.689 -2.553 1.00 0.27 O ATOM 0 H GLY A 78 5.083 -8.829 -4.212 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.776 -10.450 -2.590 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.202 -9.794 -2.186 1.00 0.21 H new ATOM 1137 N ARG A 79 4.069 -11.795 -3.869 1.00 0.21 N ATOM 1138 CA ARG A 79 3.396 -13.056 -4.135 1.00 0.28 C ATOM 1139 C ARG A 79 4.309 -13.948 -4.972 1.00 0.28 C ATOM 1140 O ARG A 79 4.219 -15.176 -4.934 1.00 0.33 O ATOM 1141 CB ARG A 79 2.082 -12.772 -4.856 1.00 0.39 C ATOM 1142 CG ARG A 79 1.021 -13.841 -4.700 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.358 -13.206 -4.727 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.432 -14.189 -4.840 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.709 -13.871 -5.060 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -3.070 -12.601 -5.207 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.624 -14.826 -5.137 1.00 2.63 N ATOM 0 H ARG A 79 3.640 -10.989 -4.324 1.00 0.21 H new ATOM 0 HA ARG A 79 3.174 -13.577 -3.204 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.681 -11.827 -4.489 1.00 0.39 H new ATOM 0 HB3 ARG A 79 2.289 -12.639 -5.918 1.00 0.39 H new ATOM 0 HG2 ARG A 79 1.110 -14.574 -5.502 1.00 0.81 H new ATOM 0 HG3 ARG A 79 1.166 -14.376 -3.762 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.501 -12.621 -3.819 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.417 -12.512 -5.566 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.192 -15.176 -4.745 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.369 -11.862 -5.152 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -4.048 -12.365 -5.375 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.352 -15.803 -5.028 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.601 -14.584 -5.305 1.00 2.63 H new ATOM 1161 N GLU A 80 5.198 -13.299 -5.716 1.00 0.27 N ATOM 1162 CA GLU A 80 6.240 -13.978 -6.474 1.00 0.32 C ATOM 1163 C GLU A 80 7.221 -14.679 -5.545 1.00 0.31 C ATOM 1164 O GLU A 80 7.456 -15.882 -5.649 1.00 0.37 O ATOM 1165 CB GLU A 80 7.003 -12.948 -7.316 1.00 0.36 C ATOM 1166 CG GLU A 80 8.456 -13.317 -7.581 1.00 0.57 C ATOM 1167 CD GLU A 80 9.170 -12.319 -8.466 1.00 1.18 C ATOM 1168 OE1 GLU A 80 8.705 -12.089 -9.601 1.00 1.22 O ATOM 1169 OE2 GLU A 80 10.218 -11.783 -8.046 1.00 1.96 O ATOM 0 H GLU A 80 5.215 -12.283 -5.810 1.00 0.27 H new ATOM 0 HA GLU A 80 5.770 -14.724 -7.115 1.00 0.32 H new ATOM 0 HB2 GLU A 80 6.491 -12.823 -8.270 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.971 -11.984 -6.809 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.984 -13.394 -6.631 1.00 0.57 H new ATOM 0 HG3 GLU A 80 8.495 -14.301 -8.048 1.00 0.57 H new ATOM 1176 N ASN A 81 7.769 -13.906 -4.625 1.00 0.29 N ATOM 1177 CA ASN A 81 8.858 -14.366 -3.777 1.00 0.35 C ATOM 1178 C ASN A 81 8.335 -14.891 -2.440 1.00 0.35 C ATOM 1179 O ASN A 81 9.105 -15.177 -1.521 1.00 0.49 O ATOM 1180 CB ASN A 81 9.844 -13.211 -3.569 1.00 0.40 C ATOM 1181 CG ASN A 81 11.115 -13.623 -2.847 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.601 -14.741 -3.011 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.664 -12.726 -2.046 1.00 1.13 N ATOM 0 H ASN A 81 7.475 -12.946 -4.444 1.00 0.29 H new ATOM 0 HA ASN A 81 9.369 -15.196 -4.265 1.00 0.35 H new ATOM 0 HB2 ASN A 81 10.107 -12.789 -4.539 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.352 -12.422 -3.001 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.520 -12.951 -1.539 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.232 -11.809 -1.935 1.00 1.13 H new ATOM 1190 N ARG A 82 7.015 -15.019 -2.350 1.00 0.32 N ATOM 1191 CA ARG A 82 6.353 -15.532 -1.153 1.00 0.37 C ATOM 1192 C ARG A 82 6.642 -14.648 0.057 1.00 0.32 C ATOM 1193 O ARG A 82 6.932 -15.131 1.151 1.00 0.38 O ATOM 1194 CB ARG A 82 6.771 -16.978 -0.893 1.00 0.47 C ATOM 1195 CG ARG A 82 6.281 -17.926 -1.971 1.00 1.04 C ATOM 1196 CD ARG A 82 4.767 -18.039 -1.951 1.00 1.99 C ATOM 1197 NE ARG A 82 4.247 -18.834 -3.061 1.00 2.83 N ATOM 1198 CZ ARG A 82 2.947 -19.023 -3.278 1.00 3.77 C ATOM 1199 NH1 ARG A 82 2.053 -18.505 -2.444 1.00 4.01 N ATOM 1200 NH2 ARG A 82 2.540 -19.730 -4.324 1.00 4.67 N ATOM 0 H ARG A 82 6.374 -14.771 -3.103 1.00 0.32 H new ATOM 0 HA ARG A 82 5.276 -15.513 -1.322 1.00 0.37 H new ATOM 0 HB2 ARG A 82 7.858 -17.033 -0.831 1.00 0.47 H new ATOM 0 HB3 ARG A 82 6.380 -17.298 0.073 1.00 0.47 H new ATOM 0 HG2 ARG A 82 6.610 -17.572 -2.948 1.00 1.04 H new ATOM 0 HG3 ARG A 82 6.724 -18.911 -1.823 1.00 1.04 H new ATOM 0 HD2 ARG A 82 4.453 -18.488 -1.009 1.00 1.99 H new ATOM 0 HD3 ARG A 82 4.332 -17.040 -1.989 1.00 1.99 H new ATOM 0 HE ARG A 82 4.913 -19.266 -3.702 1.00 2.83 H new ATOM 0 HH11 ARG A 82 2.362 -17.963 -1.637 1.00 4.01 H new ATOM 0 HH12 ARG A 82 1.057 -18.650 -2.610 1.00 4.01 H new ATOM 0 HH21 ARG A 82 3.224 -20.131 -4.966 1.00 4.67 H new ATOM 0 HH22 ARG A 82 1.543 -19.872 -4.487 1.00 4.67 H new ATOM 1214 N GLU A 83 6.547 -13.346 -0.164 1.00 0.27 N ATOM 1215 CA GLU A 83 6.790 -12.358 0.871 1.00 0.27 C ATOM 1216 C GLU A 83 5.568 -12.246 1.780 1.00 0.25 C ATOM 1217 O GLU A 83 4.504 -12.780 1.460 1.00 0.25 O ATOM 1218 CB GLU A 83 7.128 -11.001 0.238 1.00 0.28 C ATOM 1219 CG GLU A 83 7.821 -10.038 1.197 1.00 0.43 C ATOM 1220 CD GLU A 83 8.364 -8.791 0.520 1.00 0.94 C ATOM 1221 OE1 GLU A 83 8.722 -8.859 -0.670 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.443 -7.733 1.183 1.00 1.60 O ATOM 0 H GLU A 83 6.299 -12.946 -1.069 1.00 0.27 H new ATOM 0 HA GLU A 83 7.641 -12.673 1.475 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.769 -11.163 -0.628 1.00 0.28 H new ATOM 0 HB3 GLU A 83 6.210 -10.540 -0.127 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.116 -9.742 1.974 1.00 0.43 H new ATOM 0 HG3 GLU A 83 8.641 -10.559 1.692 1.00 0.43 H new ATOM 1229 N ASP A 84 5.743 -11.571 2.915 1.00 0.26 N ATOM 1230 CA ASP A 84 4.692 -11.410 3.921 1.00 0.26 C ATOM 1231 C ASP A 84 3.355 -11.010 3.299 1.00 0.25 C ATOM 1232 O ASP A 84 3.197 -9.895 2.800 1.00 0.26 O ATOM 1233 CB ASP A 84 5.117 -10.358 4.947 1.00 0.29 C ATOM 1234 CG ASP A 84 4.122 -10.218 6.083 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.730 -11.248 6.676 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.725 -9.079 6.382 1.00 0.68 O ATOM 0 H ASP A 84 6.622 -11.118 3.165 1.00 0.26 H new ATOM 0 HA ASP A 84 4.553 -12.375 4.408 1.00 0.26 H new ATOM 0 HB2 ASP A 84 6.092 -10.625 5.354 1.00 0.29 H new ATOM 0 HB3 ASP A 84 5.232 -9.395 4.449 1.00 0.29 H new ATOM 1241 N TYR A 85 2.391 -11.928 3.329 1.00 0.26 N ATOM 1242 CA TYR A 85 1.066 -11.659 2.779 1.00 0.26 C ATOM 1243 C TYR A 85 0.313 -10.671 3.662 1.00 0.27 C ATOM 1244 O TYR A 85 -0.647 -10.038 3.231 1.00 0.26 O ATOM 1245 CB TYR A 85 0.255 -12.947 2.623 1.00 0.27 C ATOM 1246 CG TYR A 85 0.040 -13.702 3.913 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -0.818 -13.211 4.883 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.695 -14.902 4.161 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.020 -13.891 6.064 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.497 -15.591 5.338 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.348 -15.096 6.281 1.00 0.38 C ATOM 1252 OH TYR A 85 -0.567 -15.760 7.465 1.00 0.44 O ATOM 0 H TYR A 85 2.503 -12.861 3.727 1.00 0.26 H new ATOM 0 HA TYR A 85 1.201 -11.221 1.790 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.716 -12.702 2.192 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.763 -13.600 1.913 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.337 -12.280 4.711 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.371 -15.301 3.419 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -1.690 -13.497 6.813 1.00 0.37 H new ATOM 0 HE2 TYR A 85 1.013 -16.524 5.511 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.036 -16.584 7.481 1.00 0.44 H new ATOM 1262 N ARG A 86 0.750 -10.557 4.908 1.00 0.30 N ATOM 1263 CA ARG A 86 0.168 -9.601 5.831 1.00 0.33 C ATOM 1264 C ARG A 86 0.463 -8.199 5.335 1.00 0.32 C ATOM 1265 O ARG A 86 -0.374 -7.298 5.412 1.00 0.32 O ATOM 1266 CB ARG A 86 0.733 -9.804 7.222 1.00 0.40 C ATOM 1267 CG ARG A 86 0.530 -11.209 7.740 1.00 0.44 C ATOM 1268 CD ARG A 86 0.979 -11.313 9.171 1.00 0.55 C ATOM 1269 NE ARG A 86 2.417 -11.093 9.308 1.00 1.57 N ATOM 1270 CZ ARG A 86 3.020 -10.847 10.469 1.00 1.98 C ATOM 1271 NH1 ARG A 86 2.312 -10.780 11.588 1.00 1.57 N ATOM 1272 NH2 ARG A 86 4.331 -10.661 10.510 1.00 3.04 N ATOM 0 H ARG A 86 1.507 -11.117 5.301 1.00 0.30 H new ATOM 0 HA ARG A 86 -0.911 -9.748 5.881 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.799 -9.576 7.213 1.00 0.40 H new ATOM 0 HB3 ARG A 86 0.262 -9.098 7.906 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -0.522 -11.483 7.662 1.00 0.44 H new ATOM 0 HG3 ARG A 86 1.089 -11.914 7.125 1.00 0.44 H new ATOM 0 HD2 ARG A 86 0.441 -10.582 9.774 1.00 0.55 H new ATOM 0 HD3 ARG A 86 0.724 -12.298 9.561 1.00 0.55 H new ATOM 0 HE ARG A 86 2.992 -11.130 8.466 1.00 1.57 H new ATOM 0 HH11 ARG A 86 1.302 -10.917 11.561 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.778 -10.591 12.476 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.880 -10.706 9.651 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.792 -10.473 11.400 1.00 3.04 H new ATOM 1286 N GLN A 87 1.672 -8.053 4.821 1.00 0.33 N ATOM 1287 CA GLN A 87 2.124 -6.849 4.156 1.00 0.33 C ATOM 1288 C GLN A 87 1.355 -6.650 2.847 1.00 0.28 C ATOM 1289 O GLN A 87 0.985 -5.531 2.490 1.00 0.28 O ATOM 1290 CB GLN A 87 3.625 -6.995 3.897 1.00 0.39 C ATOM 1291 CG GLN A 87 4.311 -5.756 3.374 1.00 0.49 C ATOM 1292 CD GLN A 87 4.224 -4.575 4.321 1.00 0.57 C ATOM 1293 OE1 GLN A 87 4.180 -3.425 3.889 1.00 1.14 O ATOM 1294 NE2 GLN A 87 4.218 -4.843 5.619 1.00 1.46 N ATOM 0 H GLN A 87 2.380 -8.786 4.857 1.00 0.33 H new ATOM 0 HA GLN A 87 1.941 -5.972 4.777 1.00 0.33 H new ATOM 0 HB2 GLN A 87 4.110 -7.295 4.826 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.777 -7.804 3.183 1.00 0.39 H new ATOM 0 HG2 GLN A 87 5.360 -5.983 3.184 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.866 -5.479 2.418 1.00 0.49 H new ATOM 0 HE21 GLN A 87 4.256 -5.810 5.940 1.00 1.46 H new ATOM 0 HE22 GLN A 87 4.176 -4.082 6.297 1.00 1.46 H new ATOM 1303 N ILE A 88 1.107 -7.756 2.148 1.00 0.25 N ATOM 1304 CA ILE A 88 0.294 -7.748 0.931 1.00 0.22 C ATOM 1305 C ILE A 88 -1.115 -7.240 1.211 1.00 0.20 C ATOM 1306 O ILE A 88 -1.683 -6.491 0.419 1.00 0.20 O ATOM 1307 CB ILE A 88 0.241 -9.157 0.288 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.493 -9.375 -0.547 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.002 -9.345 -0.560 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.635 -10.753 -1.135 1.00 0.23 C ATOM 0 H ILE A 88 1.461 -8.677 2.406 1.00 0.25 H new ATOM 0 HA ILE A 88 0.768 -7.065 0.226 1.00 0.22 H new ATOM 0 HB ILE A 88 0.197 -9.897 1.087 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.501 -8.648 -1.359 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.365 -9.170 0.073 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.000 -10.346 -0.992 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -1.889 -9.220 0.061 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.012 -8.605 -1.360 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.558 -10.809 -1.712 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.664 -11.490 -0.332 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.786 -10.960 -1.787 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.672 -7.639 2.342 1.00 0.21 N ATOM 1323 CA ALA A 89 -2.984 -7.164 2.744 1.00 0.21 C ATOM 1324 C ALA A 89 -2.960 -5.658 2.977 1.00 0.22 C ATOM 1325 O ALA A 89 -3.934 -4.960 2.698 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.445 -7.891 3.990 1.00 0.24 C ATOM 0 H ALA A 89 -1.237 -8.289 2.996 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.691 -7.372 1.941 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.430 -7.526 4.281 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.500 -8.961 3.788 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -2.737 -7.711 4.799 1.00 0.24 H new ATOM 1332 N LYS A 90 -1.839 -5.153 3.475 1.00 0.24 N ATOM 1333 CA LYS A 90 -1.683 -3.719 3.666 1.00 0.27 C ATOM 1334 C LYS A 90 -1.661 -3.029 2.313 1.00 0.24 C ATOM 1335 O LYS A 90 -2.171 -1.921 2.155 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.402 -3.398 4.444 1.00 0.33 C ATOM 1337 CG LYS A 90 -0.283 -4.142 5.766 1.00 0.46 C ATOM 1338 CD LYS A 90 -1.543 -4.012 6.611 1.00 0.50 C ATOM 1339 CE LYS A 90 -1.835 -2.563 6.979 1.00 0.67 C ATOM 1340 NZ LYS A 90 -3.070 -2.436 7.795 1.00 1.26 N ATOM 0 H LYS A 90 -1.031 -5.711 3.752 1.00 0.24 H new ATOM 0 HA LYS A 90 -2.527 -3.353 4.250 1.00 0.27 H new ATOM 0 HB2 LYS A 90 0.460 -3.641 3.822 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.364 -2.326 4.637 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.084 -5.196 5.572 1.00 0.46 H new ATOM 0 HG3 LYS A 90 0.569 -3.754 6.324 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -2.391 -4.425 6.064 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -1.432 -4.602 7.521 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -0.991 -2.152 7.532 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -1.939 -1.971 6.069 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -3.233 -1.435 8.024 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -3.881 -2.805 7.258 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -2.962 -2.979 8.675 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.074 -3.709 1.337 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.081 -3.241 -0.038 1.00 0.22 C ATOM 1356 C ALA A 91 -2.506 -3.182 -0.566 1.00 0.19 C ATOM 1357 O ALA A 91 -2.935 -2.162 -1.095 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.224 -4.148 -0.906 1.00 0.22 C ATOM 0 H ALA A 91 -0.584 -4.593 1.476 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.660 -2.236 -0.070 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.238 -3.787 -1.934 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.801 -4.146 -0.534 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.620 -5.163 -0.873 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.238 -4.279 -0.394 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.633 -4.350 -0.815 1.00 0.16 C ATOM 1366 C TYR A 92 -5.460 -3.246 -0.190 1.00 0.16 C ATOM 1367 O TYR A 92 -6.266 -2.604 -0.864 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.245 -5.695 -0.442 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.914 -6.808 -1.395 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.337 -6.757 -2.708 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.166 -7.902 -0.985 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -5.032 -7.765 -3.593 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.850 -8.920 -1.862 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.316 -8.880 -3.142 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.978 -9.859 -4.051 1.00 0.24 O ATOM 0 H TYR A 92 -2.886 -5.134 0.036 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.643 -4.230 -1.898 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -4.904 -5.972 0.555 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.328 -5.587 -0.390 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.917 -5.911 -3.046 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -3.825 -7.958 0.038 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.342 -7.697 -4.625 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.235 -9.746 -1.535 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.482 -10.571 -3.596 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.255 -3.029 1.099 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.004 -2.021 1.817 1.00 0.21 C ATOM 1387 C ALA A 93 -5.714 -0.636 1.265 1.00 0.23 C ATOM 1388 O ALA A 93 -6.614 0.183 1.149 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.702 -2.080 3.302 1.00 0.25 C ATOM 0 H ALA A 93 -4.577 -3.538 1.665 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.065 -2.227 1.677 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.277 -1.313 3.821 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -5.974 -3.062 3.690 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.638 -1.908 3.464 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.461 -0.387 0.905 1.00 0.24 N ATOM 1396 CA ARG A 94 -4.081 0.900 0.340 1.00 0.27 C ATOM 1397 C ARG A 94 -4.592 1.035 -1.086 1.00 0.24 C ATOM 1398 O ARG A 94 -4.962 2.125 -1.509 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.568 1.101 0.385 1.00 0.34 C ATOM 1400 CG ARG A 94 -2.029 1.240 1.796 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.549 1.570 1.808 1.00 0.53 C ATOM 1402 NE ARG A 94 -0.034 1.631 3.176 1.00 0.72 N ATOM 1403 CZ ARG A 94 1.023 0.951 3.617 1.00 0.69 C ATOM 1404 NH1 ARG A 94 1.719 0.177 2.792 1.00 1.50 N ATOM 1405 NH2 ARG A 94 1.389 1.051 4.888 1.00 0.88 N ATOM 0 H ARG A 94 -3.695 -1.055 0.994 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.542 1.677 0.949 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.080 0.257 -0.102 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.309 1.992 -0.186 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.579 2.022 2.319 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.198 0.312 2.342 1.00 0.77 H new ATOM 0 HD2 ARG A 94 -0.001 0.816 1.243 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.382 2.525 1.310 1.00 0.53 H new ATOM 0 HE ARG A 94 -0.518 2.237 3.839 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.445 0.100 1.812 1.00 1.50 H new ATOM 0 HH12 ARG A 94 2.527 -0.340 3.138 1.00 1.50 H new ATOM 0 HH21 ARG A 94 0.861 1.648 5.525 1.00 0.88 H new ATOM 0 HH22 ARG A 94 2.198 0.531 5.228 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.612 -0.070 -1.824 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.213 -0.078 -3.152 1.00 0.21 C ATOM 1421 C ILE A 95 -6.671 0.330 -3.047 1.00 0.20 C ATOM 1422 O ILE A 95 -7.111 1.285 -3.689 1.00 0.24 O ATOM 1423 CB ILE A 95 -5.131 -1.468 -3.822 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.680 -1.877 -4.021 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.855 -1.461 -5.157 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.507 -3.270 -4.580 1.00 0.22 C ATOM 0 H ILE A 95 -4.222 -0.965 -1.528 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.655 0.627 -3.768 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.614 -2.192 -3.166 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.201 -1.165 -4.693 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.160 -1.813 -3.065 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.786 -2.448 -5.613 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.903 -1.206 -5.001 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.396 -0.724 -5.816 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.445 -3.487 -4.693 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.955 -3.994 -3.899 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.996 -3.335 -5.552 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.401 -0.384 -2.202 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.793 -0.078 -1.980 1.00 0.18 C ATOM 1440 C GLY A 96 -8.984 1.305 -1.400 1.00 0.20 C ATOM 1441 O GLY A 96 -9.916 2.010 -1.765 1.00 0.23 O ATOM 0 H GLY A 96 -7.047 -1.175 -1.664 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.335 -0.154 -2.922 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.223 -0.817 -1.304 1.00 0.18 H new ATOM 1445 N ASN A 97 -8.084 1.702 -0.510 1.00 0.20 N ATOM 1446 CA ASN A 97 -8.188 2.995 0.151 1.00 0.25 C ATOM 1447 C ASN A 97 -7.927 4.130 -0.837 1.00 0.25 C ATOM 1448 O ASN A 97 -8.445 5.232 -0.676 1.00 0.27 O ATOM 1449 CB ASN A 97 -7.218 3.082 1.334 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.682 4.052 2.408 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -6.871 4.697 3.073 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -8.988 4.133 2.619 1.00 1.64 N ATOM 0 H ASN A 97 -7.275 1.148 -0.230 1.00 0.20 H new ATOM 0 HA ASN A 97 -9.204 3.097 0.533 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -7.098 2.092 1.773 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.237 3.391 0.972 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -9.349 4.744 3.351 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -9.632 3.584 2.049 1.00 1.64 H new ATOM 1459 N SER A 98 -7.129 3.853 -1.862 1.00 0.26 N ATOM 1460 CA SER A 98 -6.899 4.818 -2.930 1.00 0.29 C ATOM 1461 C SER A 98 -8.190 5.026 -3.715 1.00 0.29 C ATOM 1462 O SER A 98 -8.622 6.158 -3.931 1.00 0.32 O ATOM 1463 CB SER A 98 -5.787 4.331 -3.855 1.00 0.32 C ATOM 1464 OG SER A 98 -4.583 4.134 -3.137 1.00 0.94 O ATOM 0 H SER A 98 -6.631 2.970 -1.976 1.00 0.26 H new ATOM 0 HA SER A 98 -6.589 5.768 -2.494 1.00 0.29 H new ATOM 0 HB2 SER A 98 -6.088 3.398 -4.332 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.626 5.058 -4.651 1.00 0.32 H new ATOM 0 HG SER A 98 -4.576 3.233 -2.751 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.806 3.916 -4.112 1.00 0.28 N ATOM 1471 CA TYR A 99 -10.121 3.938 -4.741 1.00 0.29 C ATOM 1472 C TYR A 99 -11.123 4.648 -3.828 1.00 0.28 C ATOM 1473 O TYR A 99 -11.938 5.452 -4.273 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.586 2.510 -5.024 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.845 1.831 -6.156 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.975 2.280 -7.461 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -9.037 0.726 -5.925 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -9.325 1.655 -8.504 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -8.376 0.097 -6.962 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.523 0.564 -8.250 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.876 -0.072 -9.287 1.00 0.43 O ATOM 0 H TYR A 99 -8.410 2.982 -4.007 1.00 0.28 H new ATOM 0 HA TYR A 99 -10.057 4.481 -5.684 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.468 1.915 -4.118 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.650 2.526 -5.259 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.599 3.138 -7.665 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.923 0.352 -4.918 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -9.444 2.019 -9.514 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.746 -0.758 -6.764 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.351 -0.821 -8.935 1.00 0.43 H new ATOM 1491 N PHE A 100 -11.022 4.350 -2.541 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.854 4.953 -1.503 1.00 0.27 C ATOM 1493 C PHE A 100 -11.753 6.482 -1.531 1.00 0.32 C ATOM 1494 O PHE A 100 -12.758 7.180 -1.422 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.392 4.406 -0.149 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.237 4.761 1.043 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.432 4.102 1.289 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.864 5.795 1.880 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.230 4.464 2.358 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.662 6.169 2.945 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.750 5.333 3.303 1.00 0.37 C ATOM 0 H PHE A 100 -10.350 3.672 -2.180 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.900 4.699 -1.676 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.341 3.319 -0.220 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.378 4.761 0.034 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.742 3.298 0.639 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.936 6.318 1.700 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.229 4.063 2.448 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.461 7.078 3.492 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.187 5.380 4.290 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.540 6.995 -1.695 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.318 8.438 -1.723 1.00 0.38 C ATOM 1513 C LYS A 101 -10.709 9.028 -3.071 1.00 0.41 C ATOM 1514 O LYS A 101 -11.048 10.210 -3.170 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.849 8.768 -1.441 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.332 8.237 -0.113 1.00 0.57 C ATOM 1517 CD LYS A 101 -9.104 8.801 1.070 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.812 10.279 1.275 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.652 10.869 2.349 1.00 0.74 N ATOM 0 H LYS A 101 -9.695 6.435 -1.811 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.944 8.877 -0.946 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.236 8.360 -2.245 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.722 9.850 -1.461 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.403 7.149 -0.106 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.276 8.488 -0.009 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -10.173 8.660 0.909 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.842 8.249 1.973 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.759 10.409 1.526 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -8.986 10.816 0.342 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.421 11.877 2.456 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.656 10.769 2.099 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -9.467 10.375 3.245 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.665 8.203 -4.106 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.899 8.670 -5.459 1.00 0.40 C ATOM 1535 C GLU A 102 -12.379 8.499 -5.845 1.00 0.39 C ATOM 1536 O GLU A 102 -12.770 8.748 -6.989 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.969 7.926 -6.417 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.590 6.701 -7.062 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.635 5.988 -7.996 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -8.868 5.127 -7.518 1.00 0.45 O ATOM 1541 OE2 GLU A 102 -9.655 6.269 -9.211 1.00 0.57 O ATOM 0 H GLU A 102 -10.469 7.205 -4.032 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.677 9.735 -5.523 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.649 8.612 -7.201 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -9.074 7.622 -5.874 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.915 6.010 -6.284 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.480 6.998 -7.616 1.00 0.38 H new ATOM 1548 N GLU A 103 -13.182 8.062 -4.862 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.640 7.899 -5.003 1.00 0.35 C ATOM 1550 C GLU A 103 -14.980 6.618 -5.774 1.00 0.35 C ATOM 1551 O GLU A 103 -16.125 6.383 -6.162 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.276 9.131 -5.670 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.788 9.205 -5.524 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.366 10.492 -6.072 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.297 11.528 -5.378 1.00 1.31 O ATOM 1556 OE2 GLU A 103 -17.878 10.480 -7.212 1.00 1.47 O ATOM 0 H GLU A 103 -12.835 7.809 -3.937 1.00 0.36 H new ATOM 0 HA GLU A 103 -15.062 7.809 -4.002 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.836 10.031 -5.241 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -15.024 9.127 -6.730 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -17.241 8.359 -6.041 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -17.052 9.113 -4.471 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.979 5.778 -5.955 1.00 0.32 N ATOM 1564 CA LYS A 104 -14.130 4.513 -6.632 1.00 0.31 C ATOM 1565 C LYS A 104 -14.394 3.404 -5.613 1.00 0.28 C ATOM 1566 O LYS A 104 -13.659 2.420 -5.538 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.854 4.237 -7.413 1.00 0.34 C ATOM 1568 CG LYS A 104 -13.096 3.483 -8.686 1.00 0.64 C ATOM 1569 CD LYS A 104 -12.146 3.905 -9.792 1.00 0.47 C ATOM 1570 CE LYS A 104 -12.523 3.261 -11.115 1.00 1.11 C ATOM 1571 NZ LYS A 104 -13.901 3.630 -11.536 1.00 1.89 N ATOM 0 H LYS A 104 -13.029 5.961 -5.631 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.978 4.546 -7.316 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -12.365 5.183 -7.645 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.167 3.669 -6.786 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -12.983 2.415 -8.501 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -14.124 3.643 -9.011 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -12.162 4.990 -9.895 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.127 3.625 -9.526 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.814 3.568 -11.884 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -12.448 2.177 -11.026 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -14.011 3.454 -12.555 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -14.590 3.057 -11.009 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -14.066 4.638 -11.339 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.455 3.572 -4.834 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.734 2.689 -3.699 1.00 0.25 C ATOM 1587 C TYR A 105 -16.025 1.254 -4.118 1.00 0.26 C ATOM 1588 O TYR A 105 -15.710 0.324 -3.378 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.894 3.226 -2.872 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.636 4.602 -2.320 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.783 4.779 -1.245 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.230 5.722 -2.881 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.525 6.033 -0.739 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.977 6.985 -2.385 1.00 0.39 C ATOM 1595 CZ TYR A 105 -16.121 7.136 -1.313 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.863 8.393 -0.814 1.00 0.46 O ATOM 0 H TYR A 105 -16.142 4.314 -4.965 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.826 2.673 -3.096 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.792 3.251 -3.489 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -17.093 2.541 -2.048 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.311 3.918 -0.795 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.901 5.604 -3.719 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.859 6.152 0.103 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.446 7.849 -2.833 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.361 9.059 -1.332 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.622 1.066 -5.289 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.895 -0.282 -5.780 1.00 0.35 C ATOM 1608 C LYS A 106 -15.587 -1.047 -5.928 1.00 0.31 C ATOM 1609 O LYS A 106 -15.495 -2.229 -5.588 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.636 -0.239 -7.116 1.00 0.44 C ATOM 1611 CG LYS A 106 -19.030 0.358 -7.029 1.00 0.56 C ATOM 1612 CD LYS A 106 -19.708 0.367 -8.388 1.00 0.78 C ATOM 1613 CE LYS A 106 -21.101 0.966 -8.315 1.00 0.94 C ATOM 1614 NZ LYS A 106 -21.761 1.007 -9.648 1.00 1.57 N ATOM 0 H LYS A 106 -16.923 1.817 -5.910 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.533 -0.792 -5.058 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -17.048 0.340 -7.828 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.709 -1.252 -7.512 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.631 -0.216 -6.323 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.970 1.375 -6.643 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -19.103 0.937 -9.093 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -19.769 -0.652 -8.771 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -21.711 0.382 -7.626 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -21.041 1.976 -7.909 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -22.709 1.423 -9.553 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -21.193 1.586 -10.299 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.843 0.041 -10.025 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.572 -0.343 -6.405 1.00 0.30 N ATOM 1629 CA ASP A 107 -13.238 -0.913 -6.553 1.00 0.29 C ATOM 1630 C ASP A 107 -12.536 -0.982 -5.206 1.00 0.23 C ATOM 1631 O ASP A 107 -11.737 -1.887 -4.955 1.00 0.21 O ATOM 1632 CB ASP A 107 -12.409 -0.081 -7.529 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.688 -0.427 -8.977 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -13.606 0.177 -9.568 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -11.990 -1.301 -9.534 1.00 0.67 O ATOM 0 H ASP A 107 -14.646 0.631 -6.699 1.00 0.30 H new ATOM 0 HA ASP A 107 -13.340 -1.924 -6.948 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -12.617 0.976 -7.366 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -11.350 -0.233 -7.321 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.849 -0.021 -4.342 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.305 0.018 -2.990 1.00 0.18 C ATOM 1642 C ALA A 108 -12.614 -1.283 -2.262 1.00 0.16 C ATOM 1643 O ALA A 108 -11.710 -1.990 -1.820 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.867 1.211 -2.217 1.00 0.18 C ATOM 0 H ALA A 108 -13.483 0.748 -4.558 1.00 0.22 H new ATOM 0 HA ALA A 108 -11.223 0.134 -3.055 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.449 1.222 -1.211 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.601 2.135 -2.731 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.952 1.128 -2.158 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.900 -1.600 -2.177 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.369 -2.808 -1.507 1.00 0.18 C ATOM 1652 C ILE A 109 -13.765 -4.063 -2.130 1.00 0.19 C ATOM 1653 O ILE A 109 -13.457 -5.026 -1.423 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.908 -2.880 -1.560 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.495 -1.702 -0.796 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.416 -4.189 -0.981 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.715 -1.099 -1.445 1.00 0.51 C ATOM 0 H ILE A 109 -14.647 -1.028 -2.570 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.045 -2.761 -0.467 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.224 -2.833 -2.602 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.755 -2.028 0.211 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.731 -0.931 -0.694 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.505 -4.211 -1.032 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -16.009 -5.022 -1.554 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.100 -4.274 0.059 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -18.074 -0.266 -0.841 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.457 -0.740 -2.442 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.497 -1.854 -1.522 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.584 -4.042 -3.449 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.977 -5.165 -4.156 1.00 0.23 C ATOM 1671 C HIS A 110 -11.641 -5.536 -3.520 1.00 0.20 C ATOM 1672 O HIS A 110 -11.456 -6.656 -3.045 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.765 -4.827 -5.638 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.117 -5.930 -6.427 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.826 -6.882 -7.124 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.808 -6.228 -6.624 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -11.984 -7.712 -7.710 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.753 -7.336 -7.427 1.00 0.40 N ATOM 0 H HIS A 110 -13.849 -3.260 -4.048 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.657 -6.014 -4.083 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.729 -4.590 -6.088 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -12.149 -3.931 -5.712 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.843 -6.937 -7.179 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.963 -5.689 -6.221 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.258 -8.559 -8.321 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.721 -4.584 -3.500 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.380 -4.837 -2.996 1.00 0.17 C ATOM 1689 C PHE A 111 -9.358 -4.858 -1.472 1.00 0.16 C ATOM 1690 O PHE A 111 -8.445 -5.423 -0.870 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.398 -3.814 -3.557 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.191 -3.964 -5.040 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.320 -4.920 -5.538 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.872 -3.154 -5.935 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -7.131 -5.064 -6.900 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.686 -3.294 -7.298 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.813 -4.250 -7.780 1.00 0.32 C ATOM 0 H PHE A 111 -10.878 -3.630 -3.826 1.00 0.18 H new ATOM 0 HA PHE A 111 -9.067 -5.824 -3.335 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.764 -2.810 -3.345 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.440 -3.918 -3.048 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.783 -5.560 -4.854 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.556 -2.405 -5.564 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.450 -5.814 -7.275 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -9.223 -2.657 -7.985 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.665 -4.360 -8.844 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.364 -4.255 -0.845 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.532 -4.386 0.596 1.00 0.17 C ATOM 1709 C TYR A 112 -10.725 -5.849 0.963 1.00 0.20 C ATOM 1710 O TYR A 112 -9.963 -6.403 1.749 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.726 -3.575 1.110 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.477 -2.091 1.262 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.198 -1.618 1.518 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.504 -1.160 1.125 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -9.946 -0.272 1.639 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.258 0.192 1.240 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.062 0.636 1.582 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.731 1.978 1.608 1.00 0.32 O ATOM 0 H TYR A 112 -11.067 -3.678 -1.307 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.630 -3.995 1.066 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.564 -3.719 0.428 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.029 -3.977 2.076 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.385 -2.321 1.624 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.509 -1.502 0.926 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -8.939 0.094 1.773 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.053 0.897 1.048 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.547 2.515 1.689 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.732 -6.477 0.365 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.027 -7.887 0.611 1.00 0.28 C ATOM 1730 C ASN A 113 -10.833 -8.766 0.235 1.00 0.27 C ATOM 1731 O ASN A 113 -10.667 -9.868 0.750 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.261 -8.302 -0.191 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.768 -9.679 0.184 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.364 -10.685 -0.395 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.671 -9.725 1.148 1.00 1.23 N ATOM 0 H ASN A 113 -12.363 -6.029 -0.299 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.226 -8.022 1.674 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.055 -7.572 -0.032 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.021 -8.285 -1.254 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.061 -10.621 1.439 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -14.977 -8.864 1.601 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.005 -8.254 -0.664 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.768 -8.917 -1.060 1.00 0.24 C ATOM 1744 C LYS A 114 -7.729 -8.850 0.057 1.00 0.21 C ATOM 1745 O LYS A 114 -6.902 -9.746 0.207 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.229 -8.256 -2.305 1.00 0.26 C ATOM 1747 CG LYS A 114 -9.044 -8.540 -3.536 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.269 -9.449 -4.448 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.982 -9.671 -5.753 1.00 0.48 C ATOM 1750 NZ LYS A 114 -10.173 -10.549 -5.595 1.00 1.25 N ATOM 0 H LYS A 114 -10.170 -7.367 -1.140 1.00 0.25 H new ATOM 0 HA LYS A 114 -8.980 -9.967 -1.260 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.189 -7.178 -2.146 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.205 -8.592 -2.471 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.991 -9.004 -3.260 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.284 -7.609 -4.050 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.286 -9.019 -4.640 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.107 -10.407 -3.954 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.292 -8.711 -6.165 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.294 -10.119 -6.470 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -10.635 -10.676 -6.518 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -9.875 -11.475 -5.226 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -10.842 -10.110 -4.930 1.00 1.25 H new ATOM 1764 N SER A 115 -7.768 -7.778 0.832 1.00 0.20 N ATOM 1765 CA SER A 115 -6.927 -7.663 2.011 1.00 0.21 C ATOM 1766 C SER A 115 -7.446 -8.614 3.079 1.00 0.25 C ATOM 1767 O SER A 115 -6.672 -9.301 3.746 1.00 0.28 O ATOM 1768 CB SER A 115 -6.928 -6.227 2.532 1.00 0.23 C ATOM 1769 OG SER A 115 -6.100 -6.086 3.669 1.00 1.04 O ATOM 0 H SER A 115 -8.374 -6.975 0.665 1.00 0.20 H new ATOM 0 HA SER A 115 -5.901 -7.926 1.753 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.586 -5.554 1.746 1.00 0.23 H new ATOM 0 HB3 SER A 115 -7.946 -5.931 2.784 1.00 0.23 H new ATOM 0 HG SER A 115 -5.425 -5.396 3.499 1.00 1.04 H new ATOM 1775 N LEU A 116 -8.774 -8.668 3.208 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.430 -9.645 4.075 1.00 0.31 C ATOM 1777 C LEU A 116 -9.083 -11.062 3.619 1.00 0.33 C ATOM 1778 O LEU A 116 -9.178 -12.019 4.391 1.00 0.38 O ATOM 1779 CB LEU A 116 -10.964 -9.475 4.056 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.562 -8.341 4.912 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -10.990 -8.359 6.312 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.355 -6.979 4.276 1.00 0.35 C ATOM 0 H LEU A 116 -9.416 -8.043 2.720 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.072 -9.478 5.091 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.273 -9.316 3.023 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.411 -10.414 4.381 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.636 -8.520 4.970 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.429 -7.549 6.895 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.220 -9.313 6.787 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -9.909 -8.228 6.265 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -11.792 -6.210 4.913 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.288 -6.790 4.159 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -11.836 -6.957 3.298 1.00 0.35 H new ATOM 1794 N ALA A 117 -8.685 -11.174 2.355 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.352 -12.451 1.739 1.00 0.33 C ATOM 1796 C ALA A 117 -6.959 -12.925 2.153 1.00 0.33 C ATOM 1797 O ALA A 117 -6.730 -14.126 2.312 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.451 -12.332 0.221 1.00 0.32 C ATOM 0 H ALA A 117 -8.584 -10.376 1.727 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.067 -13.197 2.087 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.201 -13.289 -0.236 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.467 -12.052 -0.056 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.756 -11.570 -0.130 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.035 -11.986 2.337 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.664 -12.333 2.707 1.00 0.30 C ATOM 1806 C GLU A 118 -4.434 -12.213 4.212 1.00 0.32 C ATOM 1807 O GLU A 118 -3.940 -13.142 4.848 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.666 -11.444 1.963 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.584 -11.723 0.472 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.311 -13.182 0.166 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.306 -13.723 0.675 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.102 -13.799 -0.575 1.00 0.53 O ATOM 0 H GLU A 118 -6.207 -10.986 2.237 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.508 -13.373 2.422 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -3.943 -10.400 2.113 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.678 -11.578 2.402 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.520 -11.425 -0.002 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -2.796 -11.110 0.034 1.00 0.30 H new ATOM 1819 N HIS A 119 -4.806 -11.079 4.783 1.00 0.32 N ATOM 1820 CA HIS A 119 -4.582 -10.829 6.199 1.00 0.36 C ATOM 1821 C HIS A 119 -5.755 -10.049 6.774 1.00 0.37 C ATOM 1822 O HIS A 119 -5.831 -8.823 6.661 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.236 -10.103 6.393 1.00 0.35 C ATOM 1824 CG HIS A 119 -2.977 -9.519 7.756 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.054 -8.515 7.974 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -3.478 -9.828 8.969 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -1.996 -8.245 9.265 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -2.850 -9.028 9.890 1.00 0.50 N ATOM 0 H HIS A 119 -5.265 -10.315 4.287 1.00 0.32 H new ATOM 0 HA HIS A 119 -4.522 -11.771 6.744 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.434 -10.805 6.165 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.174 -9.299 5.660 1.00 0.35 H new ATOM 0 HD1 HIS A 119 -1.503 -8.054 7.250 1.00 0.42 H new ATOM 0 HD2 HIS A 119 -4.235 -10.569 9.178 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -1.357 -7.508 9.729 1.00 0.48 H new ATOM 1837 N ARG A 120 -6.659 -10.785 7.400 1.00 0.41 N ATOM 1838 CA ARG A 120 -7.891 -10.226 7.924 1.00 0.43 C ATOM 1839 C ARG A 120 -7.607 -9.258 9.062 1.00 0.46 C ATOM 1840 O ARG A 120 -7.236 -9.661 10.163 1.00 0.53 O ATOM 1841 CB ARG A 120 -8.815 -11.351 8.385 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.200 -10.877 8.791 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.271 -11.860 8.346 1.00 0.62 C ATOM 1844 NE ARG A 120 -11.162 -12.179 6.918 1.00 1.38 N ATOM 1845 CZ ARG A 120 -12.177 -12.591 6.161 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -13.395 -12.712 6.675 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -11.972 -12.879 4.883 1.00 2.87 N ATOM 0 H ARG A 120 -6.558 -11.788 7.558 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.387 -9.667 7.131 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -8.912 -12.082 7.582 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.355 -11.864 9.229 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.242 -10.755 9.873 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -10.396 -9.899 8.352 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -11.188 -12.777 8.930 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -12.256 -11.440 8.550 1.00 0.62 H new ATOM 0 HE ARG A 120 -10.248 -12.079 6.476 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -13.559 -12.489 7.657 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -14.167 -13.028 6.088 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -11.039 -12.785 4.482 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -12.748 -13.195 4.301 1.00 2.87 H new ATOM 1861 N THR A 121 -7.768 -7.981 8.773 1.00 0.45 N ATOM 1862 CA THR A 121 -7.530 -6.938 9.748 1.00 0.50 C ATOM 1863 C THR A 121 -8.750 -6.037 9.886 1.00 0.49 C ATOM 1864 O THR A 121 -9.466 -5.773 8.914 1.00 0.47 O ATOM 1865 CB THR A 121 -6.301 -6.103 9.362 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.238 -5.936 7.940 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.026 -6.753 9.863 1.00 0.62 C ATOM 0 H THR A 121 -8.066 -7.640 7.859 1.00 0.45 H new ATOM 0 HA THR A 121 -7.340 -7.416 10.709 1.00 0.50 H new ATOM 0 HB THR A 121 -6.397 -5.124 9.831 1.00 0.53 H new ATOM 0 HG1 THR A 121 -5.451 -5.401 7.708 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.170 -6.142 9.577 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.064 -6.839 10.949 1.00 0.62 H new ATOM 0 HG23 THR A 121 -4.927 -7.746 9.424 1.00 0.62 H new ATOM 1875 N PRO A 122 -8.996 -5.562 11.117 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.203 -4.827 11.467 1.00 0.56 C ATOM 1877 C PRO A 122 -10.321 -3.492 10.743 1.00 0.51 C ATOM 1878 O PRO A 122 -11.424 -2.987 10.545 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.083 -4.604 12.972 1.00 0.65 C ATOM 1880 CG PRO A 122 -8.987 -5.483 13.440 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.102 -5.717 12.272 1.00 0.69 C ATOM 0 HA PRO A 122 -11.094 -5.383 11.177 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -9.864 -3.559 13.193 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.018 -4.848 13.476 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.436 -5.014 14.256 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -9.382 -6.425 13.822 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -7.282 -5.000 12.242 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -7.655 -6.711 12.301 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.182 -2.927 10.348 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.168 -1.659 9.622 1.00 0.48 C ATOM 1891 C ASP A 123 -9.804 -1.810 8.258 1.00 0.40 C ATOM 1892 O ASP A 123 -10.639 -0.999 7.865 1.00 0.40 O ATOM 1893 CB ASP A 123 -7.752 -1.120 9.450 1.00 0.55 C ATOM 1894 CG ASP A 123 -7.077 -0.771 10.759 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -7.500 0.205 11.414 1.00 2.06 O ATOM 1896 OD2 ASP A 123 -6.111 -1.463 11.137 1.00 2.20 O ATOM 0 H ASP A 123 -8.259 -3.326 10.518 1.00 0.50 H new ATOM 0 HA ASP A 123 -9.743 -0.951 10.219 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.150 -1.863 8.926 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.784 -0.232 8.818 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.421 -2.852 7.536 1.00 0.35 N ATOM 1902 CA VAL A 124 -9.945 -3.049 6.198 1.00 0.29 C ATOM 1903 C VAL A 124 -11.383 -3.526 6.264 1.00 0.28 C ATOM 1904 O VAL A 124 -12.172 -3.261 5.368 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.135 -4.058 5.372 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.432 -3.865 3.896 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.645 -3.943 5.643 1.00 0.31 C ATOM 0 H VAL A 124 -8.760 -3.563 7.849 1.00 0.35 H new ATOM 0 HA VAL A 124 -9.876 -2.081 5.702 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.436 -5.062 5.671 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.856 -4.583 3.312 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.496 -4.021 3.715 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.158 -2.853 3.599 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.108 -4.674 5.039 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.305 -2.940 5.386 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.452 -4.132 6.699 1.00 0.31 H new ATOM 1917 N LEU A 125 -11.714 -4.239 7.330 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.088 -4.658 7.567 1.00 0.38 C ATOM 1919 C LEU A 125 -13.950 -3.419 7.786 1.00 0.38 C ATOM 1920 O LEU A 125 -14.999 -3.252 7.163 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.136 -5.592 8.785 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.457 -6.328 9.025 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.209 -7.567 9.868 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.470 -5.430 9.719 1.00 0.54 C ATOM 0 H LEU A 125 -11.051 -4.540 8.044 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.474 -5.205 6.707 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.345 -6.335 8.678 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -12.904 -5.006 9.675 1.00 0.45 H new ATOM 0 HG LEU A 125 -14.865 -6.617 8.057 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.152 -8.087 10.036 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -13.517 -8.229 9.347 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -13.780 -7.275 10.826 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.397 -5.981 9.876 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.072 -5.108 10.681 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -15.667 -4.556 9.098 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.470 -2.548 8.667 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.079 -1.246 8.910 1.00 0.42 C ATOM 1938 C LYS A 126 -14.218 -0.469 7.605 1.00 0.39 C ATOM 1939 O LYS A 126 -15.279 0.075 7.295 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.206 -0.471 9.901 1.00 0.48 C ATOM 1941 CG LYS A 126 -13.487 1.020 9.965 1.00 0.58 C ATOM 1942 CD LYS A 126 -12.502 1.714 10.889 1.00 0.72 C ATOM 1943 CE LYS A 126 -12.660 3.223 10.855 1.00 1.37 C ATOM 1944 NZ LYS A 126 -11.658 3.901 11.713 1.00 2.04 N ATOM 0 H LYS A 126 -12.642 -2.727 9.236 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.077 -1.382 9.327 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.344 -0.896 10.895 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.159 -0.618 9.634 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.421 1.451 8.966 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -14.504 1.188 10.318 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.647 1.357 11.909 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -11.485 1.449 10.600 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -12.558 3.576 9.829 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -13.663 3.491 11.186 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -11.798 4.930 11.663 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -11.771 3.583 12.697 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -10.701 3.666 11.381 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.131 -0.435 6.850 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.080 0.273 5.580 1.00 0.31 C ATOM 1960 C LYS A 127 -14.024 -0.329 4.556 1.00 0.27 C ATOM 1961 O LYS A 127 -14.690 0.393 3.815 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.657 0.241 5.035 1.00 0.31 C ATOM 1963 CG LYS A 127 -10.955 1.584 5.115 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.016 2.179 6.512 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.630 3.647 6.492 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.164 3.835 6.349 1.00 1.48 N ATOM 0 H LYS A 127 -12.258 -0.898 7.101 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.394 1.301 5.761 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.079 -0.497 5.590 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.680 -0.088 3.996 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -9.913 1.466 4.817 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.413 2.275 4.407 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.023 2.069 6.915 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.346 1.631 7.175 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -11.141 4.145 5.668 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -10.969 4.123 7.412 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -8.944 4.851 6.340 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -8.676 3.382 7.148 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -8.844 3.403 5.459 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.070 -1.649 4.514 1.00 0.27 N ATOM 1981 CA CYS A 128 -14.887 -2.347 3.544 1.00 0.26 C ATOM 1982 C CYS A 128 -16.359 -2.055 3.794 1.00 0.29 C ATOM 1983 O CYS A 128 -17.114 -1.774 2.862 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.616 -3.856 3.596 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.596 -4.835 2.431 1.00 0.91 S ATOM 0 H CYS A 128 -13.548 -2.259 5.144 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.627 -1.992 2.547 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.558 -4.029 3.397 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -14.813 -4.213 4.607 1.00 0.26 H new ATOM 0 HG CYS A 128 -14.861 -5.155 1.408 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.760 -2.106 5.064 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.122 -1.759 5.442 1.00 0.36 C ATOM 1993 C GLN A 129 -18.393 -0.296 5.123 1.00 0.32 C ATOM 1994 O GLN A 129 -19.455 0.053 4.612 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.363 -2.001 6.931 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.226 -3.454 7.346 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.444 -3.650 8.835 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.164 -2.760 9.642 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -18.951 -4.813 9.210 1.00 1.10 N ATOM 0 H GLN A 129 -16.162 -2.383 5.842 1.00 0.32 H new ATOM 0 HA GLN A 129 -18.799 -2.396 4.872 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -17.658 -1.401 7.506 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.363 -1.652 7.189 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -18.946 -4.057 6.793 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.234 -3.815 7.076 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -19.169 -5.523 8.511 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -19.124 -4.999 10.198 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.408 0.546 5.426 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.517 1.986 5.222 1.00 0.30 C ATOM 2010 C GLN A 130 -17.772 2.307 3.757 1.00 0.26 C ATOM 2011 O GLN A 130 -18.750 2.964 3.422 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.237 2.687 5.685 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.353 4.200 5.769 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.322 4.658 6.843 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -17.519 3.979 7.854 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -17.919 5.819 6.643 1.00 1.65 N ATOM 0 H GLN A 130 -16.515 0.249 5.819 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.359 2.347 5.812 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -15.958 2.300 6.665 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.428 2.433 5.000 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.369 4.624 5.969 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.678 4.589 4.804 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -17.729 6.350 5.793 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -18.570 6.184 7.338 1.00 1.65 H new ATOM 2025 N ALA A 131 -16.899 1.825 2.883 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.013 2.114 1.460 1.00 0.21 C ATOM 2027 C ALA A 131 -18.306 1.563 0.884 1.00 0.23 C ATOM 2028 O ALA A 131 -18.868 2.135 -0.044 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.826 1.554 0.703 1.00 0.20 C ATOM 0 H ALA A 131 -16.106 1.234 3.133 1.00 0.23 H new ATOM 0 HA ALA A 131 -17.025 3.198 1.346 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.931 1.781 -0.358 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.908 2.004 1.081 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.784 0.474 0.840 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.773 0.456 1.439 1.00 0.26 N ATOM 2036 CA GLU A 132 -19.988 -0.178 0.955 1.00 0.35 C ATOM 2037 C GLU A 132 -21.206 0.689 1.261 1.00 0.35 C ATOM 2038 O GLU A 132 -22.038 0.943 0.384 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.147 -1.555 1.582 1.00 0.48 C ATOM 2040 CG GLU A 132 -21.147 -2.428 0.860 1.00 1.02 C ATOM 2041 CD GLU A 132 -21.574 -3.622 1.680 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -20.801 -4.597 1.756 1.00 1.41 O ATOM 2043 OE2 GLU A 132 -22.678 -3.589 2.263 1.00 2.04 O ATOM 0 H GLU A 132 -18.330 -0.021 2.224 1.00 0.26 H new ATOM 0 HA GLU A 132 -19.912 -0.291 -0.126 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -19.179 -2.056 1.593 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -20.458 -1.440 2.620 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -22.025 -1.834 0.605 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.712 -2.773 -0.078 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.301 1.151 2.503 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.401 2.016 2.910 1.00 0.36 C ATOM 2052 C LYS A 133 -22.262 3.398 2.274 1.00 0.37 C ATOM 2053 O LYS A 133 -23.260 4.014 1.898 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.479 2.114 4.442 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.166 2.501 5.107 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.255 2.491 6.627 1.00 0.66 C ATOM 2057 CE LYS A 133 -21.719 1.145 7.169 1.00 1.04 C ATOM 2058 NZ LYS A 133 -21.811 1.145 8.654 1.00 1.90 N ATOM 0 H LYS A 133 -20.631 0.941 3.243 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.334 1.576 2.557 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.240 2.847 4.710 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.807 1.154 4.841 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.384 1.812 4.788 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -20.871 3.495 4.770 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -20.279 2.733 7.048 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -21.945 3.269 6.954 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.693 0.900 6.745 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -21.027 0.367 6.848 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -22.130 0.211 8.982 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -20.876 1.354 9.060 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -22.491 1.870 8.960 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.022 3.867 2.138 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.747 5.127 1.453 1.00 0.34 C ATOM 2074 C ILE A 134 -21.189 5.050 -0.003 1.00 0.39 C ATOM 2075 O ILE A 134 -21.822 5.969 -0.518 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.248 5.502 1.503 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.837 5.922 2.905 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -18.937 6.619 0.536 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.372 6.284 3.024 1.00 0.33 C ATOM 0 H ILE A 134 -20.192 3.392 2.494 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.312 5.899 1.976 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.683 4.615 1.217 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.440 6.777 3.211 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.060 5.111 3.598 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.876 6.863 0.591 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.184 6.302 -0.477 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.526 7.499 0.795 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.151 6.573 4.051 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.761 5.424 2.750 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.147 7.116 2.356 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.858 3.941 -0.657 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.209 3.740 -2.057 1.00 0.48 C ATOM 2093 C LEU A 135 -22.721 3.830 -2.235 1.00 0.58 C ATOM 2094 O LEU A 135 -23.203 4.400 -3.209 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.673 2.381 -2.541 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.608 2.165 -4.063 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -21.966 1.765 -4.622 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.095 3.415 -4.769 1.00 1.37 C ATOM 0 H LEU A 135 -20.345 3.166 -0.237 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.750 4.523 -2.661 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.670 2.247 -2.135 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -21.297 1.597 -2.113 1.00 0.51 H new ATOM 0 HG LEU A 135 -19.909 1.350 -4.249 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -21.887 1.620 -5.699 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -22.293 0.837 -4.154 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -22.691 2.552 -4.414 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.058 3.237 -5.844 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -20.764 4.250 -4.562 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -19.095 3.653 -4.406 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.462 3.299 -1.269 1.00 0.58 N ATOM 2111 CA LYS A 136 -24.917 3.347 -1.319 1.00 0.72 C ATOM 2112 C LYS A 136 -25.423 4.770 -1.099 1.00 0.77 C ATOM 2113 O LYS A 136 -26.468 5.158 -1.623 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.523 2.385 -0.299 1.00 0.79 C ATOM 2115 CG LYS A 136 -27.042 2.438 -0.248 1.00 1.26 C ATOM 2116 CD LYS A 136 -27.635 1.178 0.363 1.00 1.73 C ATOM 2117 CE LYS A 136 -27.391 -0.037 -0.520 1.00 2.54 C ATOM 2118 NZ LYS A 136 -27.856 0.184 -1.917 1.00 3.36 N ATOM 0 H LYS A 136 -23.081 2.833 -0.446 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.235 3.030 -2.312 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -25.210 1.369 -0.538 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -25.125 2.617 0.689 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -27.355 3.305 0.333 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -27.434 2.572 -1.256 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -27.197 1.008 1.347 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -28.707 1.313 0.510 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -26.327 -0.273 -0.526 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -27.907 -0.900 -0.099 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -27.926 -0.730 -2.408 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -28.790 0.642 -1.904 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -27.178 0.795 -2.416 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.673 5.552 -0.333 1.00 0.70 N ATOM 2133 CA GLU A 137 -24.997 6.959 -0.141 1.00 0.82 C ATOM 2134 C GLU A 137 -24.702 7.737 -1.418 1.00 0.87 C ATOM 2135 O GLU A 137 -25.318 8.768 -1.691 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.200 7.546 1.024 1.00 0.82 C ATOM 2137 CG GLU A 137 -24.506 6.881 2.353 1.00 1.02 C ATOM 2138 CD GLU A 137 -23.698 7.447 3.502 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -22.475 7.644 3.330 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -24.275 7.713 4.578 1.00 2.28 O ATOM 0 H GLU A 137 -23.839 5.237 0.163 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.058 7.040 0.094 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.135 7.448 0.813 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -24.413 8.612 1.101 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -25.568 6.994 2.573 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.310 5.812 2.271 1.00 1.02 H new ATOM 2147 N GLN A 138 -23.757 7.226 -2.201 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.370 7.851 -3.458 1.00 0.89 C ATOM 2149 C GLN A 138 -24.270 7.399 -4.604 1.00 1.04 C ATOM 2150 O GLN A 138 -24.170 7.915 -5.720 1.00 1.19 O ATOM 2151 CB GLN A 138 -21.916 7.528 -3.773 1.00 0.87 C ATOM 2152 CG GLN A 138 -20.974 8.040 -2.709 1.00 0.80 C ATOM 2153 CD GLN A 138 -20.929 9.552 -2.639 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -21.116 10.243 -3.641 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -20.687 10.076 -1.449 1.00 1.60 N ATOM 0 H GLN A 138 -23.242 6.373 -1.983 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.484 8.929 -3.349 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -21.798 6.449 -3.871 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -21.648 7.966 -4.734 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.280 7.646 -1.740 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -19.971 7.661 -2.906 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -20.538 9.467 -0.644 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -20.650 11.089 -1.336 1.00 1.60 H new ATOM 2164 N GLU A 139 -25.128 6.424 -4.326 1.00 1.14 N ATOM 2165 CA GLU A 139 -26.097 5.953 -5.305 1.00 1.35 C ATOM 2166 C GLU A 139 -27.262 6.929 -5.397 1.00 1.86 C ATOM 2167 O GLU A 139 -28.281 6.707 -4.711 1.00 2.30 O ATOM 2168 CB GLU A 139 -26.626 4.562 -4.934 1.00 1.47 C ATOM 2169 CG GLU A 139 -25.588 3.455 -4.995 1.00 1.46 C ATOM 2170 CD GLU A 139 -26.188 2.086 -4.730 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -26.622 1.427 -5.700 1.00 1.94 O ATOM 2172 OE2 GLU A 139 -26.224 1.654 -3.555 1.00 2.99 O ATOM 2173 OXT GLU A 139 -27.155 7.920 -6.144 1.00 2.51 O ATOM 0 H GLU A 139 -25.171 5.944 -3.427 1.00 1.14 H new ATOM 0 HA GLU A 139 -25.595 5.888 -6.270 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -27.038 4.601 -3.926 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -27.448 4.309 -5.604 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -25.115 3.458 -5.977 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -24.805 3.654 -4.263 1.00 1.46 H new TER 2180 GLU A 139