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= -1.97! K(o=-2.5!,f=0.081) USER MOD Set 1.2: A 112 TYR OH : rot -158:sc= -0.522 USER MOD Set 2.1: A 67 CYS SG : rot -114:sc= -1.34 USER MOD Set 2.2: A 71 CYS SG : rot 95:sc= -0.969 USER MOD Set 2.3: A 98 SER OG : rot 47:sc= 1.16 USER MOD Set 3.1: A 52 THR OG1 : rot 152:sc= 0.432 USER MOD Set 3.2: A 87 GLN : amide:sc= -0.0228 X(o=0.41,f=0.44) USER MOD Set 4.1: A 22 ASN : amide:sc= -2.25 X(o=-2.7,f=-3.1!) USER MOD Set 4.2: A 37 TYR OH : rot -15:sc= -0.481 USER MOD Single : A 10 ASN : amide:sc=-0.00551 X(o=-0.0055,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -0.0154 (180deg=-0.18) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 1.05 (180deg=1.04) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc=-0.00241 (180deg=-0.0843) USER MOD Single : A 25 TYR OH : rot -31:sc= 1.24 USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0188) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= -0.0296 (180deg=-0.201) USER MOD Single : A 32 THR OG1 : rot 125:sc= 1.28 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= 0.232 K(o=0.23,f=-4.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.11) USER MOD Single : A 46 THR OG1 : rot 17:sc= 1.2 USER MOD Single : A 47 ASN : amide:sc= -2.77! K(o=-2.8!,f=-0.6) USER MOD Single : A 48 MET CE :methyl -124:sc= -7.46! (180deg=-9.93!) USER MOD Single : A 49 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 50 TYR OH : rot 149:sc= -1.78 USER MOD Single : A 53 ASN : amide:sc= -1.88! K(o=-1.9!,f=-0.86) USER MOD Single : A 54 GLN : amide:sc= -6.9! C(o=-6.9!,f=-3.4!) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.773 USER MOD Single : A 61 LYS NZ :NH3+ 138:sc= 1.14 (180deg=-0.577) 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+ 163:sc= -5.48! (180deg=-5.68!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.229 K(o=-0.23,f=-0.88) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0502) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -96:sc= 0.478 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -0.0531 (180deg=-0.349) USER MOD Single : A 105 TYR OH : rot 180:sc=-0.00824 USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= 0.202 (180deg=0.0694) USER MOD Single : A 110 HIS : no HE2:sc= -0.0199 K(o=-0.02,f=-0.79) 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 124:sc= -1.24! USER MOD Single : A 119 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-3.8!) USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 134:sc= 1.25 (180deg=0.819) USER MOD Single : A 128 CYS SG : rot 180:sc= -2.85! USER MOD Single : A 129 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 130 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.17) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= -0.0552 K(o=-0.055,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 26.387 -5.931 -0.539 1.00 1.26 N ATOM 2 CA GLU A 9 25.060 -6.220 -1.127 1.00 1.05 C ATOM 3 C GLU A 9 24.150 -5.014 -0.971 1.00 0.90 C ATOM 4 O GLU A 9 24.280 -4.239 -0.022 1.00 0.98 O ATOM 5 CB GLU A 9 24.408 -7.434 -0.454 1.00 1.37 C ATOM 6 CG GLU A 9 24.017 -7.198 0.995 1.00 2.20 C ATOM 7 CD GLU A 9 25.209 -7.197 1.927 1.00 2.80 C ATOM 8 OE1 GLU A 9 25.810 -6.124 2.119 1.00 3.20 O ATOM 9 OE2 GLU A 9 25.558 -8.272 2.453 1.00 3.26 O ATOM 0 HA GLU A 9 25.204 -6.443 -2.184 1.00 1.05 H new ATOM 0 HB2 GLU A 9 23.519 -7.716 -1.019 1.00 1.37 H new ATOM 0 HB3 GLU A 9 25.097 -8.277 -0.501 1.00 1.37 H new ATOM 0 HG2 GLU A 9 23.496 -6.244 1.076 1.00 2.20 H new ATOM 0 HG3 GLU A 9 23.316 -7.971 1.309 1.00 2.20 H new ATOM 18 N ASN A 10 23.224 -4.864 -1.900 1.00 0.79 N ATOM 19 CA ASN A 10 22.291 -3.754 -1.866 1.00 0.66 C ATOM 20 C ASN A 10 21.129 -4.067 -0.938 1.00 0.59 C ATOM 21 O ASN A 10 20.463 -3.163 -0.450 1.00 0.53 O ATOM 22 CB ASN A 10 21.767 -3.429 -3.271 1.00 0.62 C ATOM 23 CG ASN A 10 22.864 -3.063 -4.254 1.00 1.14 C ATOM 24 OD1 ASN A 10 23.426 -3.929 -4.927 1.00 1.94 O ATOM 25 ND2 ASN A 10 23.168 -1.779 -4.355 1.00 1.45 N ATOM 0 H ASN A 10 23.098 -5.498 -2.689 1.00 0.79 H new ATOM 0 HA ASN A 10 22.823 -2.881 -1.488 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.218 -4.289 -3.654 1.00 0.62 H new ATOM 0 HB3 ASN A 10 21.059 -2.603 -3.204 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.891 -1.476 -5.008 1.00 1.45 H new ATOM 0 HD22 ASN A 10 22.680 -1.093 -3.780 1.00 1.45 H new ATOM 32 N LYS A 11 20.893 -5.354 -0.698 1.00 0.63 N ATOM 33 CA LYS A 11 19.792 -5.787 0.162 1.00 0.62 C ATOM 34 C LYS A 11 19.901 -5.178 1.557 1.00 0.62 C ATOM 35 O LYS A 11 18.940 -4.609 2.065 1.00 0.58 O ATOM 36 CB LYS A 11 19.754 -7.312 0.268 1.00 0.71 C ATOM 37 CG LYS A 11 19.628 -8.011 -1.074 1.00 0.79 C ATOM 38 CD LYS A 11 19.313 -9.491 -0.915 1.00 1.12 C ATOM 39 CE LYS A 11 20.388 -10.222 -0.128 1.00 1.50 C ATOM 40 NZ LYS A 11 20.103 -11.677 -0.030 1.00 2.19 N ATOM 0 H LYS A 11 21.449 -6.116 -1.086 1.00 0.63 H new ATOM 0 HA LYS A 11 18.867 -5.437 -0.296 1.00 0.62 H new ATOM 0 HB2 LYS A 11 20.662 -7.656 0.764 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.915 -7.603 0.900 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.843 -7.533 -1.660 1.00 0.79 H new ATOM 0 HG3 LYS A 11 20.557 -7.895 -1.632 1.00 0.79 H new ATOM 0 HD2 LYS A 11 18.354 -9.605 -0.410 1.00 1.12 H new ATOM 0 HD3 LYS A 11 19.211 -9.948 -1.900 1.00 1.12 H new ATOM 0 HE2 LYS A 11 21.355 -10.072 -0.607 1.00 1.50 H new ATOM 0 HE3 LYS A 11 20.459 -9.797 0.873 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 20.857 -12.143 0.514 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 19.191 -11.821 0.450 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 20.060 -12.087 -0.985 1.00 2.19 H new ATOM 54 N LYS A 12 21.080 -5.286 2.162 1.00 0.70 N ATOM 55 CA LYS A 12 21.307 -4.757 3.503 1.00 0.74 C ATOM 56 C LYS A 12 21.101 -3.245 3.530 1.00 0.66 C ATOM 57 O LYS A 12 20.482 -2.700 4.451 1.00 0.63 O ATOM 58 CB LYS A 12 22.723 -5.105 3.972 1.00 0.90 C ATOM 59 CG LYS A 12 23.028 -4.662 5.396 1.00 1.54 C ATOM 60 CD LYS A 12 24.435 -5.058 5.824 1.00 2.02 C ATOM 61 CE LYS A 12 24.622 -6.570 5.837 1.00 2.38 C ATOM 62 NZ LYS A 12 23.688 -7.242 6.782 1.00 2.83 N ATOM 0 H LYS A 12 21.894 -5.736 1.744 1.00 0.70 H new ATOM 0 HA LYS A 12 20.585 -5.214 4.180 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.864 -6.183 3.899 1.00 0.90 H new ATOM 0 HB3 LYS A 12 23.443 -4.643 3.296 1.00 0.90 H new ATOM 0 HG2 LYS A 12 22.916 -3.580 5.472 1.00 1.54 H new ATOM 0 HG3 LYS A 12 22.303 -5.106 6.078 1.00 1.54 H new ATOM 0 HD2 LYS A 12 25.160 -4.609 5.146 1.00 2.02 H new ATOM 0 HD3 LYS A 12 24.638 -4.659 6.818 1.00 2.02 H new ATOM 0 HE2 LYS A 12 24.465 -6.963 4.832 1.00 2.38 H new ATOM 0 HE3 LYS A 12 25.649 -6.805 6.115 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 23.979 -8.232 6.913 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 23.708 -6.751 7.698 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 22.723 -7.214 6.395 1.00 2.83 H new ATOM 76 N GLN A 13 21.611 -2.575 2.505 1.00 0.64 N ATOM 77 CA GLN A 13 21.478 -1.144 2.377 1.00 0.59 C ATOM 78 C GLN A 13 20.021 -0.759 2.117 1.00 0.50 C ATOM 79 O GLN A 13 19.595 0.345 2.449 1.00 0.49 O ATOM 80 CB GLN A 13 22.374 -0.664 1.241 1.00 0.62 C ATOM 81 CG GLN A 13 22.760 0.790 1.351 1.00 0.90 C ATOM 82 CD GLN A 13 23.699 1.226 0.244 1.00 1.51 C ATOM 83 OE1 GLN A 13 24.498 0.433 -0.252 1.00 2.07 O ATOM 84 NE2 GLN A 13 23.608 2.482 -0.158 1.00 2.26 N ATOM 0 H GLN A 13 22.127 -3.015 1.743 1.00 0.64 H new ATOM 0 HA GLN A 13 21.785 -0.666 3.307 1.00 0.59 H new ATOM 0 HB2 GLN A 13 23.279 -1.271 1.222 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.862 -0.825 0.292 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.860 1.405 1.323 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.235 0.964 2.316 1.00 0.90 H new ATOM 0 HE21 GLN A 13 22.932 3.109 0.278 1.00 2.26 H new ATOM 0 HE22 GLN A 13 24.213 2.824 -0.904 1.00 2.26 H new ATOM 93 N ALA A 14 19.261 -1.675 1.523 1.00 0.46 N ATOM 94 CA ALA A 14 17.848 -1.440 1.239 1.00 0.38 C ATOM 95 C ALA A 14 17.060 -1.285 2.530 1.00 0.39 C ATOM 96 O ALA A 14 16.122 -0.493 2.599 1.00 0.36 O ATOM 97 CB ALA A 14 17.271 -2.570 0.396 1.00 0.36 C ATOM 0 H ALA A 14 19.601 -2.590 1.228 1.00 0.46 H new ATOM 0 HA ALA A 14 17.766 -0.513 0.672 1.00 0.38 H new ATOM 0 HB1 ALA A 14 16.217 -2.374 0.197 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.813 -2.633 -0.547 1.00 0.36 H new ATOM 0 HB3 ALA A 14 17.369 -3.512 0.935 1.00 0.36 H new ATOM 103 N LEU A 15 17.439 -2.046 3.555 1.00 0.45 N ATOM 104 CA LEU A 15 16.834 -1.882 4.870 1.00 0.47 C ATOM 105 C LEU A 15 17.109 -0.477 5.377 1.00 0.49 C ATOM 106 O LEU A 15 16.211 0.202 5.870 1.00 0.49 O ATOM 107 CB LEU A 15 17.366 -2.911 5.882 1.00 0.54 C ATOM 108 CG LEU A 15 16.766 -4.323 5.811 1.00 1.13 C ATOM 109 CD1 LEU A 15 15.244 -4.271 5.810 1.00 1.98 C ATOM 110 CD2 LEU A 15 17.282 -5.080 4.599 1.00 1.31 C ATOM 0 H LEU A 15 18.153 -2.772 3.500 1.00 0.45 H new ATOM 0 HA LEU A 15 15.761 -2.045 4.769 1.00 0.47 H new ATOM 0 HB2 LEU A 15 18.445 -2.993 5.749 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.197 -2.520 6.885 1.00 0.54 H new ATOM 0 HG LEU A 15 17.085 -4.863 6.703 1.00 1.13 H new ATOM 0 HD11 LEU A 15 14.845 -5.284 5.759 1.00 1.98 H new ATOM 0 HD12 LEU A 15 14.896 -3.790 6.724 1.00 1.98 H new ATOM 0 HD13 LEU A 15 14.900 -3.702 4.946 1.00 1.98 H new ATOM 0 HD21 LEU A 15 16.839 -6.076 4.576 1.00 1.31 H new ATOM 0 HD22 LEU A 15 17.011 -4.542 3.691 1.00 1.31 H new ATOM 0 HD23 LEU A 15 18.367 -5.167 4.659 1.00 1.31 H new ATOM 122 N LYS A 16 18.356 -0.043 5.219 1.00 0.51 N ATOM 123 CA LYS A 16 18.756 1.311 5.584 1.00 0.54 C ATOM 124 C LYS A 16 17.919 2.344 4.840 1.00 0.48 C ATOM 125 O LYS A 16 17.419 3.290 5.437 1.00 0.49 O ATOM 126 CB LYS A 16 20.245 1.529 5.288 1.00 0.62 C ATOM 127 CG LYS A 16 20.657 2.994 5.269 1.00 0.79 C ATOM 128 CD LYS A 16 22.152 3.154 5.071 1.00 1.64 C ATOM 129 CE LYS A 16 22.530 4.600 4.790 1.00 1.89 C ATOM 130 NZ LYS A 16 22.133 5.033 3.422 1.00 2.88 N ATOM 0 H LYS A 16 19.111 -0.614 4.838 1.00 0.51 H new ATOM 0 HA LYS A 16 18.587 1.435 6.654 1.00 0.54 H new ATOM 0 HB2 LYS A 16 20.836 1.004 6.038 1.00 0.62 H new ATOM 0 HB3 LYS A 16 20.484 1.081 4.324 1.00 0.62 H new ATOM 0 HG2 LYS A 16 20.127 3.511 4.469 1.00 0.79 H new ATOM 0 HG3 LYS A 16 20.361 3.467 6.205 1.00 0.79 H new ATOM 0 HD2 LYS A 16 22.676 2.807 5.961 1.00 1.64 H new ATOM 0 HD3 LYS A 16 22.479 2.525 4.243 1.00 1.64 H new ATOM 0 HE2 LYS A 16 22.053 5.247 5.526 1.00 1.89 H new ATOM 0 HE3 LYS A 16 23.607 4.721 4.909 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 22.396 6.030 3.283 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 22.621 4.445 2.716 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 21.105 4.928 3.309 1.00 2.88 H new ATOM 144 N GLU A 17 17.764 2.152 3.538 1.00 0.42 N ATOM 145 CA GLU A 17 17.007 3.084 2.716 1.00 0.38 C ATOM 146 C GLU A 17 15.530 3.095 3.094 1.00 0.35 C ATOM 147 O GLU A 17 14.895 4.151 3.089 1.00 0.34 O ATOM 148 CB GLU A 17 17.196 2.762 1.233 1.00 0.35 C ATOM 149 CG GLU A 17 18.550 3.187 0.698 1.00 0.39 C ATOM 150 CD GLU A 17 18.956 4.572 1.177 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.370 5.573 0.711 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.869 4.671 2.026 1.00 0.54 O ATOM 0 H GLU A 17 18.153 1.359 3.028 1.00 0.42 H new ATOM 0 HA GLU A 17 17.393 4.086 2.902 1.00 0.38 H new ATOM 0 HB2 GLU A 17 17.073 1.690 1.082 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.413 3.257 0.658 1.00 0.35 H new ATOM 0 HG2 GLU A 17 19.303 2.463 1.009 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.527 3.175 -0.392 1.00 0.39 H new ATOM 159 N LYS A 18 14.980 1.937 3.447 1.00 0.34 N ATOM 160 CA LYS A 18 13.603 1.890 3.918 1.00 0.34 C ATOM 161 C LYS A 18 13.489 2.636 5.243 1.00 0.40 C ATOM 162 O LYS A 18 12.525 3.361 5.470 1.00 0.41 O ATOM 163 CB LYS A 18 13.094 0.454 4.082 1.00 0.34 C ATOM 164 CG LYS A 18 11.612 0.391 4.443 1.00 0.33 C ATOM 165 CD LYS A 18 11.162 -1.004 4.860 1.00 0.36 C ATOM 166 CE LYS A 18 11.812 -1.453 6.158 1.00 0.50 C ATOM 167 NZ LYS A 18 11.359 -0.650 7.326 1.00 0.80 N ATOM 0 H LYS A 18 15.457 1.036 3.417 1.00 0.34 H new ATOM 0 HA LYS A 18 12.980 2.371 3.164 1.00 0.34 H new ATOM 0 HB2 LYS A 18 13.261 -0.094 3.155 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.674 -0.046 4.857 1.00 0.34 H new ATOM 0 HG2 LYS A 18 11.411 1.090 5.255 1.00 0.33 H new ATOM 0 HG3 LYS A 18 11.021 0.717 3.588 1.00 0.33 H new ATOM 0 HD2 LYS A 18 10.078 -1.015 4.976 1.00 0.36 H new ATOM 0 HD3 LYS A 18 11.405 -1.714 4.069 1.00 0.36 H new ATOM 0 HE2 LYS A 18 11.582 -2.504 6.332 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.895 -1.375 6.065 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 11.708 -1.086 8.203 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 11.733 0.317 7.248 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 10.320 -0.619 7.344 1.00 0.80 H new ATOM 181 N GLU A 19 14.487 2.464 6.109 1.00 0.46 N ATOM 182 CA GLU A 19 14.522 3.168 7.387 1.00 0.52 C ATOM 183 C GLU A 19 14.655 4.670 7.171 1.00 0.50 C ATOM 184 O GLU A 19 13.945 5.451 7.791 1.00 0.53 O ATOM 185 CB GLU A 19 15.677 2.677 8.260 1.00 0.58 C ATOM 186 CG GLU A 19 15.554 1.228 8.693 1.00 0.63 C ATOM 187 CD GLU A 19 16.558 0.870 9.767 1.00 1.32 C ATOM 188 OE1 GLU A 19 17.709 0.522 9.426 1.00 2.32 O ATOM 189 OE2 GLU A 19 16.209 0.955 10.965 1.00 1.29 O ATOM 0 H GLU A 19 15.280 1.844 5.948 1.00 0.46 H new ATOM 0 HA GLU A 19 13.583 2.959 7.899 1.00 0.52 H new ATOM 0 HB2 GLU A 19 16.611 2.803 7.713 1.00 0.58 H new ATOM 0 HB3 GLU A 19 15.740 3.306 9.148 1.00 0.58 H new ATOM 0 HG2 GLU A 19 14.546 1.045 9.064 1.00 0.63 H new ATOM 0 HG3 GLU A 19 15.699 0.578 7.830 1.00 0.63 H new ATOM 196 N LEU A 20 15.568 5.057 6.288 1.00 0.47 N ATOM 197 CA LEU A 20 15.791 6.461 5.959 1.00 0.46 C ATOM 198 C LEU A 20 14.526 7.093 5.390 1.00 0.43 C ATOM 199 O LEU A 20 14.143 8.201 5.777 1.00 0.45 O ATOM 200 CB LEU A 20 16.941 6.591 4.949 1.00 0.45 C ATOM 201 CG LEU A 20 18.314 6.953 5.525 1.00 0.53 C ATOM 202 CD1 LEU A 20 18.260 8.303 6.216 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.815 5.878 6.481 1.00 0.60 C ATOM 0 H LEU A 20 16.173 4.410 5.782 1.00 0.47 H new ATOM 0 HA LEU A 20 16.057 6.988 6.875 1.00 0.46 H new ATOM 0 HB2 LEU A 20 17.033 5.647 4.413 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.667 7.349 4.215 1.00 0.45 H new ATOM 0 HG LEU A 20 19.020 7.014 4.697 1.00 0.53 H new ATOM 0 HD11 LEU A 20 19.243 8.545 6.619 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.964 9.068 5.498 1.00 0.58 H new ATOM 0 HD13 LEU A 20 17.534 8.267 7.028 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.791 6.165 6.872 1.00 0.60 H new ATOM 0 HD22 LEU A 20 18.111 5.768 7.306 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.902 4.930 5.950 1.00 0.60 H new ATOM 215 N GLY A 21 13.888 6.384 4.467 1.00 0.39 N ATOM 216 CA GLY A 21 12.627 6.834 3.915 1.00 0.37 C ATOM 217 C GLY A 21 11.552 6.913 4.974 1.00 0.40 C ATOM 218 O GLY A 21 10.909 7.941 5.131 1.00 0.41 O ATOM 0 H GLY A 21 14.226 5.499 4.089 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.759 7.814 3.456 1.00 0.37 H new ATOM 0 HA3 GLY A 21 12.311 6.152 3.125 1.00 0.37 H new ATOM 222 N ASN A 22 11.386 5.830 5.719 1.00 0.43 N ATOM 223 CA ASN A 22 10.393 5.763 6.791 1.00 0.47 C ATOM 224 C ASN A 22 10.626 6.852 7.834 1.00 0.53 C ATOM 225 O ASN A 22 9.682 7.421 8.378 1.00 0.56 O ATOM 226 CB ASN A 22 10.454 4.394 7.472 1.00 0.52 C ATOM 227 CG ASN A 22 9.335 4.170 8.473 1.00 0.59 C ATOM 228 OD1 ASN A 22 9.540 3.543 9.509 1.00 1.27 O ATOM 229 ND2 ASN A 22 8.139 4.641 8.156 1.00 1.23 N ATOM 0 H ASN A 22 11.930 4.975 5.602 1.00 0.43 H new ATOM 0 HA ASN A 22 9.410 5.915 6.345 1.00 0.47 H new ATOM 0 HB2 ASN A 22 10.412 3.615 6.711 1.00 0.52 H new ATOM 0 HB3 ASN A 22 11.413 4.291 7.980 1.00 0.52 H new ATOM 0 HD21 ASN A 22 7.348 4.488 8.782 1.00 1.23 H new ATOM 0 HD22 ASN A 22 8.008 5.157 7.286 1.00 1.23 H new ATOM 236 N ASP A 23 11.888 7.129 8.107 1.00 0.54 N ATOM 237 CA ASP A 23 12.275 8.140 9.082 1.00 0.59 C ATOM 238 C ASP A 23 11.799 9.518 8.643 1.00 0.58 C ATOM 239 O ASP A 23 11.221 10.272 9.429 1.00 0.62 O ATOM 240 CB ASP A 23 13.797 8.139 9.227 1.00 0.61 C ATOM 241 CG ASP A 23 14.279 8.967 10.394 1.00 0.74 C ATOM 242 OD1 ASP A 23 14.480 10.185 10.219 1.00 0.79 O ATOM 243 OD2 ASP A 23 14.470 8.401 11.490 1.00 0.93 O ATOM 0 H ASP A 23 12.676 6.661 7.660 1.00 0.54 H new ATOM 0 HA ASP A 23 11.811 7.906 10.040 1.00 0.59 H new ATOM 0 HB2 ASP A 23 14.144 7.113 9.349 1.00 0.61 H new ATOM 0 HB3 ASP A 23 14.244 8.520 8.309 1.00 0.61 H new ATOM 248 N ALA A 24 12.039 9.833 7.378 1.00 0.53 N ATOM 249 CA ALA A 24 11.587 11.092 6.802 1.00 0.53 C ATOM 250 C ALA A 24 10.071 11.074 6.647 1.00 0.53 C ATOM 251 O ALA A 24 9.399 12.099 6.759 1.00 0.58 O ATOM 252 CB ALA A 24 12.269 11.318 5.462 1.00 0.49 C ATOM 0 H ALA A 24 12.546 9.232 6.729 1.00 0.53 H new ATOM 0 HA ALA A 24 11.854 11.914 7.466 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.928 12.261 5.035 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.349 11.354 5.605 1.00 0.49 H new ATOM 0 HB3 ALA A 24 12.020 10.501 4.785 1.00 0.49 H new ATOM 258 N TYR A 25 9.552 9.879 6.408 1.00 0.48 N ATOM 259 CA TYR A 25 8.120 9.637 6.304 1.00 0.49 C ATOM 260 C TYR A 25 7.416 10.009 7.602 1.00 0.59 C ATOM 261 O TYR A 25 6.309 10.554 7.594 1.00 0.63 O ATOM 262 CB TYR A 25 7.895 8.160 5.984 1.00 0.46 C ATOM 263 CG TYR A 25 6.450 7.739 5.912 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.688 8.016 4.790 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.859 7.051 6.962 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.369 7.622 4.710 1.00 0.45 C ATOM 267 CE2 TYR A 25 4.540 6.651 6.892 1.00 0.68 C ATOM 268 CZ TYR A 25 3.799 6.936 5.765 1.00 0.54 C ATOM 269 OH TYR A 25 2.479 6.549 5.708 1.00 0.63 O ATOM 0 H TYR A 25 10.119 9.041 6.279 1.00 0.48 H new ATOM 0 HA TYR A 25 7.704 10.256 5.509 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.372 7.933 5.031 1.00 0.46 H new ATOM 0 HB3 TYR A 25 8.396 7.559 6.742 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.134 8.550 3.964 1.00 0.40 H new ATOM 0 HD2 TYR A 25 6.438 6.826 7.845 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.786 7.848 3.829 1.00 0.45 H new ATOM 0 HE2 TYR A 25 4.090 6.117 7.716 1.00 0.68 H new ATOM 0 HH TYR A 25 1.971 7.196 5.175 1.00 0.63 H new ATOM 279 N LYS A 26 8.076 9.721 8.716 1.00 0.65 N ATOM 280 CA LYS A 26 7.541 10.022 10.036 1.00 0.77 C ATOM 281 C LYS A 26 7.590 11.524 10.317 1.00 0.81 C ATOM 282 O LYS A 26 7.013 12.007 11.292 1.00 0.94 O ATOM 283 CB LYS A 26 8.322 9.248 11.100 1.00 0.82 C ATOM 284 CG LYS A 26 8.084 7.750 11.038 1.00 0.86 C ATOM 285 CD LYS A 26 8.946 7.003 12.041 1.00 1.03 C ATOM 286 CE LYS A 26 8.857 5.501 11.831 1.00 0.90 C ATOM 287 NZ LYS A 26 7.488 4.975 12.088 1.00 1.62 N ATOM 0 H LYS A 26 8.993 9.274 8.730 1.00 0.65 H new ATOM 0 HA LYS A 26 6.496 9.712 10.068 1.00 0.77 H new ATOM 0 HB2 LYS A 26 9.387 9.447 10.977 1.00 0.82 H new ATOM 0 HB3 LYS A 26 8.041 9.614 12.087 1.00 0.82 H new ATOM 0 HG2 LYS A 26 7.033 7.540 11.234 1.00 0.86 H new ATOM 0 HG3 LYS A 26 8.299 7.388 10.032 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.983 7.325 11.945 1.00 1.03 H new ATOM 0 HD3 LYS A 26 8.628 7.251 13.054 1.00 1.03 H new ATOM 0 HE2 LYS A 26 9.150 5.261 10.809 1.00 0.90 H new ATOM 0 HE3 LYS A 26 9.566 5.001 12.491 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 7.488 3.940 11.982 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 7.196 5.224 13.055 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 6.822 5.393 11.407 1.00 1.62 H new ATOM 301 N LYS A 27 8.280 12.255 9.450 1.00 0.75 N ATOM 302 CA LYS A 27 8.363 13.707 9.545 1.00 0.80 C ATOM 303 C LYS A 27 7.521 14.355 8.451 1.00 0.79 C ATOM 304 O LYS A 27 7.596 15.565 8.230 1.00 0.84 O ATOM 305 CB LYS A 27 9.817 14.164 9.413 1.00 0.80 C ATOM 306 CG LYS A 27 10.727 13.635 10.505 1.00 1.16 C ATOM 307 CD LYS A 27 12.178 14.020 10.263 1.00 1.58 C ATOM 308 CE LYS A 27 12.373 15.527 10.256 1.00 1.93 C ATOM 309 NZ LYS A 27 13.792 15.902 10.024 1.00 2.31 N ATOM 0 H LYS A 27 8.796 11.860 8.664 1.00 0.75 H new ATOM 0 HA LYS A 27 7.980 14.013 10.519 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.202 13.843 8.445 1.00 0.80 H new ATOM 0 HB3 LYS A 27 9.848 15.254 9.423 1.00 0.80 H new ATOM 0 HG2 LYS A 27 10.403 14.025 11.470 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.642 12.549 10.556 1.00 1.16 H new ATOM 0 HD2 LYS A 27 12.805 13.577 11.037 1.00 1.58 H new ATOM 0 HD3 LYS A 27 12.509 13.607 9.310 1.00 1.58 H new ATOM 0 HE2 LYS A 27 11.749 15.970 9.480 1.00 1.93 H new ATOM 0 HE3 LYS A 27 12.039 15.940 11.208 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 13.882 16.938 10.027 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 14.385 15.501 10.779 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 14.104 15.530 9.104 1.00 2.31 H new ATOM 323 N LYS A 28 6.720 13.533 7.773 1.00 0.77 N ATOM 324 CA LYS A 28 5.907 13.970 6.638 1.00 0.80 C ATOM 325 C LYS A 28 6.760 14.621 5.555 1.00 0.71 C ATOM 326 O LYS A 28 6.277 15.443 4.777 1.00 0.75 O ATOM 327 CB LYS A 28 4.814 14.930 7.091 1.00 0.96 C ATOM 328 CG LYS A 28 3.910 14.361 8.165 1.00 1.07 C ATOM 329 CD LYS A 28 2.952 15.415 8.685 1.00 1.24 C ATOM 330 CE LYS A 28 2.068 14.880 9.800 1.00 1.77 C ATOM 331 NZ LYS A 28 2.857 14.457 10.987 1.00 2.39 N ATOM 0 H LYS A 28 6.616 12.543 7.996 1.00 0.77 H new ATOM 0 HA LYS A 28 5.441 13.081 6.213 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.277 15.843 7.465 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.208 15.209 6.229 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.346 13.519 7.762 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.514 13.976 8.987 1.00 1.07 H new ATOM 0 HD2 LYS A 28 3.519 16.271 9.051 1.00 1.24 H new ATOM 0 HD3 LYS A 28 2.327 15.772 7.867 1.00 1.24 H new ATOM 0 HE2 LYS A 28 1.354 15.648 10.096 1.00 1.77 H new ATOM 0 HE3 LYS A 28 1.490 14.033 9.429 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 2.216 14.293 11.789 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 3.370 13.579 10.768 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 3.538 15.203 11.235 1.00 2.39 H new ATOM 345 N ASP A 29 8.032 14.253 5.510 1.00 0.64 N ATOM 346 CA ASP A 29 8.921 14.712 4.455 1.00 0.59 C ATOM 347 C ASP A 29 8.764 13.756 3.282 1.00 0.50 C ATOM 348 O ASP A 29 9.683 13.023 2.927 1.00 0.47 O ATOM 349 CB ASP A 29 10.367 14.741 4.957 1.00 0.60 C ATOM 350 CG ASP A 29 11.220 15.772 4.244 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.151 15.842 2.997 1.00 1.62 O ATOM 352 OD2 ASP A 29 11.962 16.515 4.915 1.00 1.39 O ATOM 0 H ASP A 29 8.472 13.637 6.194 1.00 0.64 H new ATOM 0 HA ASP A 29 8.669 15.726 4.145 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.371 14.951 6.027 1.00 0.60 H new ATOM 0 HB3 ASP A 29 10.812 13.755 4.825 1.00 0.60 H new ATOM 357 N PHE A 30 7.566 13.774 2.701 1.00 0.49 N ATOM 358 CA PHE A 30 7.099 12.704 1.826 1.00 0.44 C ATOM 359 C PHE A 30 8.006 12.467 0.625 1.00 0.42 C ATOM 360 O PHE A 30 8.317 11.321 0.317 1.00 0.43 O ATOM 361 CB PHE A 30 5.654 12.967 1.385 1.00 0.45 C ATOM 362 CG PHE A 30 4.684 13.020 2.537 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.667 12.018 3.492 1.00 0.52 C ATOM 364 CD2 PHE A 30 3.787 14.074 2.663 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.778 12.063 4.550 1.00 0.58 C ATOM 366 CE2 PHE A 30 2.897 14.121 3.717 1.00 0.71 C ATOM 367 CZ PHE A 30 2.893 13.118 4.662 1.00 0.66 C ATOM 0 H PHE A 30 6.893 14.531 2.824 1.00 0.49 H new ATOM 0 HA PHE A 30 7.132 11.784 2.410 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.613 13.910 0.840 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.344 12.185 0.692 1.00 0.45 H new ATOM 0 HD1 PHE A 30 5.357 11.191 3.410 1.00 0.52 H new ATOM 0 HD2 PHE A 30 3.786 14.865 1.928 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.775 11.274 5.288 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.203 14.944 3.801 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.199 13.157 5.489 1.00 0.66 H new ATOM 377 N ASP A 31 8.445 13.522 -0.046 1.00 0.46 N ATOM 378 CA ASP A 31 9.312 13.348 -1.211 1.00 0.48 C ATOM 379 C ASP A 31 10.655 12.749 -0.808 1.00 0.44 C ATOM 380 O ASP A 31 11.193 11.899 -1.510 1.00 0.42 O ATOM 381 CB ASP A 31 9.522 14.659 -1.979 1.00 0.57 C ATOM 382 CG ASP A 31 10.055 15.789 -1.122 1.00 1.30 C ATOM 383 OD1 ASP A 31 9.252 16.430 -0.412 1.00 1.61 O ATOM 384 OD2 ASP A 31 11.270 16.062 -1.173 1.00 1.93 O ATOM 0 H ASP A 31 8.223 14.490 0.186 1.00 0.46 H new ATOM 0 HA ASP A 31 8.804 12.654 -1.880 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.215 14.481 -2.801 1.00 0.57 H new ATOM 0 HB3 ASP A 31 8.574 14.966 -2.421 1.00 0.57 H new ATOM 389 N THR A 32 11.178 13.171 0.332 1.00 0.45 N ATOM 390 CA THR A 32 12.426 12.630 0.851 1.00 0.45 C ATOM 391 C THR A 32 12.232 11.188 1.315 1.00 0.39 C ATOM 392 O THR A 32 13.076 10.322 1.077 1.00 0.38 O ATOM 393 CB THR A 32 12.935 13.485 2.024 1.00 0.50 C ATOM 394 OG1 THR A 32 13.096 14.841 1.597 1.00 0.57 O ATOM 395 CG2 THR A 32 14.251 12.961 2.569 1.00 0.52 C ATOM 0 H THR A 32 10.756 13.890 0.919 1.00 0.45 H new ATOM 0 HA THR A 32 13.164 12.649 0.049 1.00 0.45 H new ATOM 0 HB THR A 32 12.196 13.432 2.824 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.584 15.433 2.187 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.579 13.591 3.396 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.117 11.938 2.922 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.004 12.977 1.781 1.00 0.52 H new ATOM 403 N ALA A 33 11.109 10.941 1.977 1.00 0.38 N ATOM 404 CA ALA A 33 10.742 9.601 2.408 1.00 0.36 C ATOM 405 C ALA A 33 10.676 8.664 1.219 1.00 0.30 C ATOM 406 O ALA A 33 11.355 7.636 1.175 1.00 0.28 O ATOM 407 CB ALA A 33 9.398 9.636 3.110 1.00 0.39 C ATOM 0 H ALA A 33 10.431 11.660 2.229 1.00 0.38 H new ATOM 0 HA ALA A 33 11.501 9.236 3.100 1.00 0.36 H new ATOM 0 HB1 ALA A 33 9.129 8.630 3.430 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.459 10.290 3.980 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.639 10.014 2.425 1.00 0.39 H new ATOM 413 N LEU A 34 9.869 9.054 0.248 1.00 0.29 N ATOM 414 CA LEU A 34 9.661 8.277 -0.956 1.00 0.26 C ATOM 415 C LEU A 34 10.972 8.110 -1.715 1.00 0.26 C ATOM 416 O LEU A 34 11.205 7.096 -2.367 1.00 0.26 O ATOM 417 CB LEU A 34 8.621 8.976 -1.822 1.00 0.28 C ATOM 418 CG LEU A 34 7.904 8.092 -2.833 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.454 8.303 -4.232 1.00 0.81 C ATOM 420 CD2 LEU A 34 8.016 6.635 -2.436 1.00 0.53 C ATOM 0 H LEU A 34 9.338 9.924 0.275 1.00 0.29 H new ATOM 0 HA LEU A 34 9.301 7.283 -0.692 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.875 9.428 -1.168 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.109 9.789 -2.359 1.00 0.28 H new ATOM 0 HG LEU A 34 6.851 8.373 -2.838 1.00 0.33 H new ATOM 0 HD11 LEU A 34 7.923 7.659 -4.933 1.00 0.81 H new ATOM 0 HD12 LEU A 34 8.319 9.345 -4.523 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.516 8.057 -4.246 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.498 6.017 -3.170 1.00 0.53 H new ATOM 0 HD22 LEU A 34 9.067 6.348 -2.397 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.564 6.489 -1.455 1.00 0.53 H new ATOM 432 N LYS A 35 11.830 9.111 -1.596 1.00 0.31 N ATOM 433 CA LYS A 35 13.119 9.117 -2.264 1.00 0.33 C ATOM 434 C LYS A 35 13.978 7.938 -1.800 1.00 0.29 C ATOM 435 O LYS A 35 14.580 7.243 -2.616 1.00 0.30 O ATOM 436 CB LYS A 35 13.829 10.440 -1.974 1.00 0.40 C ATOM 437 CG LYS A 35 14.672 10.971 -3.117 1.00 0.49 C ATOM 438 CD LYS A 35 13.834 11.289 -4.353 1.00 0.53 C ATOM 439 CE LYS A 35 12.838 12.416 -4.098 1.00 0.60 C ATOM 440 NZ LYS A 35 12.017 12.707 -5.300 1.00 1.41 N ATOM 0 H LYS A 35 11.651 9.942 -1.033 1.00 0.31 H new ATOM 0 HA LYS A 35 12.964 9.015 -3.338 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.081 11.189 -1.714 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.467 10.310 -1.100 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.194 11.871 -2.793 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.434 10.236 -3.376 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.493 11.568 -5.175 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.296 10.394 -4.665 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.185 12.144 -3.269 1.00 0.60 H new ATOM 0 HE3 LYS A 35 13.376 13.316 -3.798 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 11.352 13.478 -5.088 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 12.638 12.991 -6.084 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 11.485 11.856 -5.571 1.00 1.41 H new ATOM 454 N HIS A 36 14.018 7.702 -0.491 1.00 0.29 N ATOM 455 CA HIS A 36 14.801 6.590 0.048 1.00 0.29 C ATOM 456 C HIS A 36 14.037 5.286 -0.090 1.00 0.25 C ATOM 457 O HIS A 36 14.627 4.229 -0.280 1.00 0.27 O ATOM 458 CB HIS A 36 15.153 6.799 1.517 1.00 0.38 C ATOM 459 CG HIS A 36 15.994 7.999 1.782 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.358 8.014 1.608 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.655 9.226 2.228 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.827 9.205 1.938 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.812 9.960 2.318 1.00 0.46 N ATOM 0 H HIS A 36 13.525 8.257 0.209 1.00 0.29 H new ATOM 0 HA HIS A 36 15.725 6.547 -0.528 1.00 0.29 H new ATOM 0 HB2 HIS A 36 14.230 6.883 2.091 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.676 5.915 1.882 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.919 7.230 1.276 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.659 9.567 2.469 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.863 9.509 1.903 1.00 0.47 H new ATOM 472 N TYR A 37 12.720 5.366 0.024 1.00 0.22 N ATOM 473 CA TYR A 37 11.873 4.200 -0.158 1.00 0.21 C ATOM 474 C TYR A 37 12.073 3.602 -1.547 1.00 0.21 C ATOM 475 O TYR A 37 12.258 2.393 -1.696 1.00 0.24 O ATOM 476 CB TYR A 37 10.411 4.574 0.030 1.00 0.22 C ATOM 477 CG TYR A 37 9.910 4.476 1.449 1.00 0.23 C ATOM 478 CD1 TYR A 37 10.165 3.350 2.218 1.00 0.33 C ATOM 479 CD2 TYR A 37 9.137 5.486 2.000 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.667 3.240 3.500 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.622 5.375 3.272 1.00 0.41 C ATOM 482 CZ TYR A 37 8.891 4.251 4.018 1.00 0.36 C ATOM 483 OH TYR A 37 8.352 4.121 5.275 1.00 0.48 O ATOM 0 H TYR A 37 12.216 6.226 0.242 1.00 0.22 H new ATOM 0 HA TYR A 37 12.152 3.458 0.590 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.264 5.595 -0.323 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.801 3.927 -0.601 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.761 2.549 1.808 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.935 6.375 1.422 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.885 2.365 4.094 1.00 0.40 H new ATOM 0 HE2 TYR A 37 8.011 6.165 3.682 1.00 0.41 H new ATOM 0 HH TYR A 37 8.407 3.185 5.559 1.00 0.48 H new ATOM 493 N ASP A 38 12.024 4.461 -2.557 1.00 0.25 N ATOM 494 CA ASP A 38 12.289 4.060 -3.934 1.00 0.31 C ATOM 495 C ASP A 38 13.707 3.547 -4.072 1.00 0.30 C ATOM 496 O ASP A 38 13.959 2.548 -4.743 1.00 0.32 O ATOM 497 CB ASP A 38 12.065 5.236 -4.874 1.00 0.42 C ATOM 498 CG ASP A 38 12.773 5.073 -6.208 1.00 0.78 C ATOM 499 OD1 ASP A 38 12.282 4.289 -7.050 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.825 5.716 -6.416 1.00 1.51 O ATOM 0 H ASP A 38 11.801 5.450 -2.447 1.00 0.25 H new ATOM 0 HA ASP A 38 11.601 3.258 -4.201 1.00 0.31 H new ATOM 0 HB2 ASP A 38 10.996 5.356 -5.049 1.00 0.42 H new ATOM 0 HB3 ASP A 38 12.414 6.150 -4.393 1.00 0.42 H new ATOM 505 N LYS A 39 14.622 4.245 -3.424 1.00 0.30 N ATOM 506 CA LYS A 39 16.015 3.832 -3.379 1.00 0.32 C ATOM 507 C LYS A 39 16.128 2.403 -2.845 1.00 0.29 C ATOM 508 O LYS A 39 16.850 1.584 -3.398 1.00 0.32 O ATOM 509 CB LYS A 39 16.826 4.790 -2.505 1.00 0.35 C ATOM 510 CG LYS A 39 18.320 4.537 -2.557 1.00 0.41 C ATOM 511 CD LYS A 39 18.875 4.781 -3.947 1.00 0.47 C ATOM 512 CE LYS A 39 20.351 4.454 -4.014 1.00 0.54 C ATOM 513 NZ LYS A 39 20.916 4.697 -5.367 1.00 1.25 N ATOM 0 H LYS A 39 14.424 5.108 -2.917 1.00 0.30 H new ATOM 0 HA LYS A 39 16.418 3.859 -4.391 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.628 5.814 -2.821 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.486 4.704 -1.473 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.826 5.187 -1.843 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.527 3.510 -2.256 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.332 4.172 -4.670 1.00 0.47 H new ATOM 0 HD3 LYS A 39 18.718 5.823 -4.226 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.889 5.057 -3.283 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.504 3.410 -3.740 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 21.929 4.460 -5.368 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.421 4.103 -6.062 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 20.795 5.699 -5.619 1.00 1.25 H new ATOM 527 N ALA A 40 15.382 2.108 -1.784 1.00 0.25 N ATOM 528 CA ALA A 40 15.356 0.768 -1.203 1.00 0.24 C ATOM 529 C ALA A 40 14.846 -0.260 -2.208 1.00 0.22 C ATOM 530 O ALA A 40 15.234 -1.421 -2.162 1.00 0.26 O ATOM 531 CB ALA A 40 14.504 0.753 0.061 1.00 0.22 C ATOM 0 H ALA A 40 14.784 2.783 -1.307 1.00 0.25 H new ATOM 0 HA ALA A 40 16.377 0.495 -0.938 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.495 -0.253 0.482 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.922 1.447 0.790 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.485 1.053 -0.183 1.00 0.22 H new ATOM 537 N LYS A 41 13.993 0.178 -3.126 1.00 0.23 N ATOM 538 CA LYS A 41 13.479 -0.694 -4.180 1.00 0.26 C ATOM 539 C LYS A 41 14.524 -0.874 -5.277 1.00 0.31 C ATOM 540 O LYS A 41 14.531 -1.874 -5.993 1.00 0.37 O ATOM 541 CB LYS A 41 12.192 -0.111 -4.763 1.00 0.29 C ATOM 542 CG LYS A 41 11.593 -0.917 -5.899 1.00 0.41 C ATOM 543 CD LYS A 41 10.352 -0.238 -6.449 1.00 0.78 C ATOM 544 CE LYS A 41 9.731 -1.034 -7.583 1.00 0.89 C ATOM 545 NZ LYS A 41 10.628 -1.113 -8.768 1.00 1.37 N ATOM 0 H LYS A 41 13.641 1.134 -3.163 1.00 0.23 H new ATOM 0 HA LYS A 41 13.258 -1.671 -3.749 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.453 -0.026 -3.966 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.395 0.899 -5.119 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.330 -1.036 -6.694 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.340 -1.917 -5.547 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.621 -0.113 -5.650 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.610 0.760 -6.804 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.501 -2.041 -7.235 1.00 0.89 H new ATOM 0 HE3 LYS A 41 8.787 -0.574 -7.874 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 10.106 -1.514 -9.573 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 10.963 -0.160 -9.014 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.443 -1.720 -8.547 1.00 1.37 H new ATOM 559 N GLU A 42 15.396 0.109 -5.416 1.00 0.32 N ATOM 560 CA GLU A 42 16.507 0.017 -6.348 1.00 0.38 C ATOM 561 C GLU A 42 17.602 -0.860 -5.758 1.00 0.40 C ATOM 562 O GLU A 42 18.439 -1.411 -6.475 1.00 0.50 O ATOM 563 CB GLU A 42 17.055 1.409 -6.660 1.00 0.43 C ATOM 564 CG GLU A 42 16.079 2.290 -7.420 1.00 1.11 C ATOM 565 CD GLU A 42 15.723 1.719 -8.776 1.00 1.81 C ATOM 566 OE1 GLU A 42 16.561 1.809 -9.700 1.00 2.03 O ATOM 567 OE2 GLU A 42 14.610 1.173 -8.927 1.00 2.78 O ATOM 0 H GLU A 42 15.356 0.984 -4.893 1.00 0.32 H new ATOM 0 HA GLU A 42 16.154 -0.431 -7.277 1.00 0.38 H new ATOM 0 HB2 GLU A 42 17.325 1.902 -5.726 1.00 0.43 H new ATOM 0 HB3 GLU A 42 17.970 1.308 -7.243 1.00 0.43 H new ATOM 0 HG2 GLU A 42 15.170 2.414 -6.831 1.00 1.11 H new ATOM 0 HG3 GLU A 42 16.513 3.282 -7.549 1.00 1.11 H new ATOM 574 N LEU A 43 17.585 -0.979 -4.440 1.00 0.36 N ATOM 575 CA LEU A 43 18.537 -1.818 -3.736 1.00 0.39 C ATOM 576 C LEU A 43 18.016 -3.242 -3.638 1.00 0.39 C ATOM 577 O LEU A 43 18.728 -4.191 -3.962 1.00 0.49 O ATOM 578 CB LEU A 43 18.852 -1.244 -2.359 1.00 0.39 C ATOM 579 CG LEU A 43 19.987 -0.220 -2.346 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.718 0.877 -3.339 1.00 0.42 C ATOM 581 CD2 LEU A 43 20.151 0.370 -0.971 1.00 0.45 C ATOM 0 H LEU A 43 16.917 -0.501 -3.835 1.00 0.36 H new ATOM 0 HA LEU A 43 19.468 -1.839 -4.303 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.952 -0.776 -1.959 1.00 0.39 H new ATOM 0 HB3 LEU A 43 19.110 -2.063 -1.688 1.00 0.39 H new ATOM 0 HG LEU A 43 20.908 -0.732 -2.624 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.536 1.597 -3.316 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.637 0.451 -4.339 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.785 1.379 -3.082 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.963 1.097 -0.981 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.226 0.864 -0.674 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.383 -0.423 -0.260 1.00 0.45 H new ATOM 593 N ASP A 44 16.772 -3.398 -3.205 1.00 0.32 N ATOM 594 CA ASP A 44 16.126 -4.696 -3.267 1.00 0.33 C ATOM 595 C ASP A 44 14.687 -4.566 -3.751 1.00 0.32 C ATOM 596 O ASP A 44 13.773 -4.286 -2.976 1.00 0.33 O ATOM 597 CB ASP A 44 16.162 -5.435 -1.930 1.00 0.40 C ATOM 598 CG ASP A 44 15.818 -6.906 -2.089 1.00 0.46 C ATOM 599 OD1 ASP A 44 16.731 -7.701 -2.399 1.00 1.11 O ATOM 600 OD2 ASP A 44 14.636 -7.275 -1.924 1.00 0.52 O ATOM 0 H ASP A 44 16.199 -2.651 -2.813 1.00 0.32 H new ATOM 0 HA ASP A 44 16.694 -5.289 -3.984 1.00 0.33 H new ATOM 0 HB2 ASP A 44 17.154 -5.339 -1.488 1.00 0.40 H new ATOM 0 HB3 ASP A 44 15.459 -4.970 -1.239 1.00 0.40 H new ATOM 605 N PRO A 45 14.475 -4.772 -5.055 1.00 0.41 N ATOM 606 CA PRO A 45 13.153 -4.677 -5.677 1.00 0.49 C ATOM 607 C PRO A 45 12.270 -5.871 -5.348 1.00 0.47 C ATOM 608 O PRO A 45 11.071 -5.869 -5.631 1.00 0.59 O ATOM 609 CB PRO A 45 13.475 -4.660 -7.168 1.00 0.64 C ATOM 610 CG PRO A 45 14.736 -5.441 -7.273 1.00 0.63 C ATOM 611 CD PRO A 45 15.517 -5.112 -6.038 1.00 0.52 C ATOM 0 HA PRO A 45 12.599 -3.806 -5.328 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.675 -5.113 -7.754 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.604 -3.642 -7.537 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.531 -6.510 -7.334 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.291 -5.171 -8.171 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.121 -5.957 -5.707 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.200 -4.279 -6.204 1.00 0.52 H new ATOM 619 N THR A 46 12.870 -6.890 -4.753 1.00 0.39 N ATOM 620 CA THR A 46 12.158 -8.111 -4.436 1.00 0.40 C ATOM 621 C THR A 46 11.556 -8.056 -3.038 1.00 0.40 C ATOM 622 O THR A 46 10.917 -9.006 -2.589 1.00 0.42 O ATOM 623 CB THR A 46 13.077 -9.333 -4.572 1.00 0.42 C ATOM 624 OG1 THR A 46 14.282 -9.145 -3.818 1.00 0.45 O ATOM 625 CG2 THR A 46 13.430 -9.577 -6.030 1.00 0.46 C ATOM 0 H THR A 46 13.853 -6.892 -4.480 1.00 0.39 H new ATOM 0 HA THR A 46 11.342 -8.208 -5.152 1.00 0.40 H new ATOM 0 HB THR A 46 12.542 -10.199 -4.182 1.00 0.42 H new ATOM 0 HG1 THR A 46 14.153 -8.422 -3.169 1.00 0.45 H new ATOM 0 HG21 THR A 46 14.082 -10.447 -6.106 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.518 -9.756 -6.600 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.943 -8.703 -6.431 1.00 0.46 H new ATOM 633 N ASN A 47 11.773 -6.942 -2.352 1.00 0.52 N ATOM 634 CA ASN A 47 11.161 -6.715 -1.052 1.00 0.56 C ATOM 635 C ASN A 47 9.943 -5.825 -1.220 1.00 0.56 C ATOM 636 O ASN A 47 10.064 -4.602 -1.335 1.00 0.89 O ATOM 637 CB ASN A 47 12.159 -6.078 -0.087 1.00 0.78 C ATOM 638 CG ASN A 47 11.665 -6.077 1.346 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.883 -7.033 2.088 1.00 2.13 O ATOM 640 ND2 ASN A 47 11.010 -5.003 1.753 1.00 1.47 N ATOM 0 H ASN A 47 12.370 -6.181 -2.676 1.00 0.52 H new ATOM 0 HA ASN A 47 10.854 -7.672 -0.631 1.00 0.56 H new ATOM 0 HB2 ASN A 47 13.105 -6.617 -0.141 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.357 -5.053 -0.400 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.666 -4.948 2.712 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.848 -4.229 1.108 1.00 1.47 H new ATOM 647 N MET A 48 8.771 -6.446 -1.221 1.00 0.29 N ATOM 648 CA MET A 48 7.529 -5.750 -1.531 1.00 0.26 C ATOM 649 C MET A 48 7.252 -4.647 -0.520 1.00 0.24 C ATOM 650 O MET A 48 6.621 -3.643 -0.845 1.00 0.24 O ATOM 651 CB MET A 48 6.350 -6.721 -1.556 1.00 0.22 C ATOM 652 CG MET A 48 5.863 -7.142 -0.182 1.00 0.19 C ATOM 653 SD MET A 48 4.315 -8.045 -0.244 1.00 1.05 S ATOM 654 CE MET A 48 3.247 -6.798 -0.954 1.00 0.27 C ATOM 0 H MET A 48 8.654 -7.437 -1.009 1.00 0.29 H new ATOM 0 HA MET A 48 7.645 -5.304 -2.519 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.524 -6.258 -2.096 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.638 -7.611 -2.116 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.622 -7.763 0.294 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.738 -6.257 0.442 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.394 -6.632 -0.296 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.802 -5.867 -1.070 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.893 -7.134 -1.929 1.00 0.27 H new ATOM 664 N THR A 49 7.737 -4.838 0.703 1.00 0.24 N ATOM 665 CA THR A 49 7.508 -3.881 1.772 1.00 0.26 C ATOM 666 C THR A 49 8.114 -2.516 1.444 1.00 0.28 C ATOM 667 O THR A 49 7.622 -1.485 1.898 1.00 0.39 O ATOM 668 CB THR A 49 8.060 -4.403 3.111 1.00 0.29 C ATOM 669 OG1 THR A 49 7.482 -5.681 3.413 1.00 0.71 O ATOM 670 CG2 THR A 49 7.754 -3.433 4.240 1.00 0.64 C ATOM 0 H THR A 49 8.292 -5.649 0.975 1.00 0.24 H new ATOM 0 HA THR A 49 6.429 -3.757 1.867 1.00 0.26 H new ATOM 0 HB THR A 49 9.142 -4.500 3.017 1.00 0.29 H new ATOM 0 HG1 THR A 49 8.026 -6.390 3.009 1.00 0.71 H new ATOM 0 HG21 THR A 49 8.154 -3.825 5.175 1.00 0.64 H new ATOM 0 HG22 THR A 49 8.213 -2.468 4.025 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.675 -3.309 4.331 1.00 0.64 H new ATOM 678 N TYR A 50 9.162 -2.497 0.627 1.00 0.23 N ATOM 679 CA TYR A 50 9.758 -1.231 0.223 1.00 0.23 C ATOM 680 C TYR A 50 8.807 -0.504 -0.704 1.00 0.26 C ATOM 681 O TYR A 50 8.656 0.713 -0.642 1.00 0.42 O ATOM 682 CB TYR A 50 11.097 -1.431 -0.489 1.00 0.21 C ATOM 683 CG TYR A 50 12.165 -2.069 0.361 1.00 0.22 C ATOM 684 CD1 TYR A 50 12.154 -1.917 1.738 1.00 0.28 C ATOM 685 CD2 TYR A 50 13.186 -2.820 -0.207 1.00 0.25 C ATOM 686 CE1 TYR A 50 13.128 -2.486 2.523 1.00 0.35 C ATOM 687 CE2 TYR A 50 14.160 -3.397 0.576 1.00 0.31 C ATOM 688 CZ TYR A 50 14.129 -3.261 1.910 1.00 0.34 C ATOM 689 OH TYR A 50 15.106 -3.784 2.720 1.00 0.44 O ATOM 0 H TYR A 50 9.609 -3.328 0.238 1.00 0.23 H new ATOM 0 HA TYR A 50 9.940 -0.646 1.124 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.936 -2.049 -1.373 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.457 -0.463 -0.838 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.367 -1.342 2.202 1.00 0.28 H new ATOM 0 HD2 TYR A 50 13.216 -2.953 -1.278 1.00 0.25 H new ATOM 0 HE1 TYR A 50 13.125 -2.340 3.593 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.955 -3.963 0.113 1.00 0.31 H new ATOM 0 HH TYR A 50 15.423 -4.632 2.345 1.00 0.44 H new ATOM 699 N ILE A 51 8.145 -1.284 -1.538 1.00 0.18 N ATOM 700 CA ILE A 51 7.257 -0.761 -2.554 1.00 0.19 C ATOM 701 C ILE A 51 5.932 -0.306 -1.939 1.00 0.19 C ATOM 702 O ILE A 51 5.376 0.720 -2.326 1.00 0.22 O ATOM 703 CB ILE A 51 6.987 -1.833 -3.627 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.306 -2.363 -4.198 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.109 -1.270 -4.735 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.141 -3.600 -5.053 1.00 0.33 C ATOM 0 H ILE A 51 8.210 -2.302 -1.528 1.00 0.18 H new ATOM 0 HA ILE A 51 7.741 0.100 -3.016 1.00 0.19 H new ATOM 0 HB ILE A 51 6.457 -2.663 -3.160 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.776 -1.580 -4.793 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.984 -2.588 -3.375 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.929 -2.041 -5.484 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.158 -0.943 -4.315 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.610 -0.422 -5.201 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.115 -3.919 -5.423 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.700 -4.399 -4.456 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.488 -3.375 -5.896 1.00 0.33 H new ATOM 718 N THR A 52 5.437 -1.072 -0.973 1.00 0.20 N ATOM 719 CA THR A 52 4.188 -0.740 -0.300 1.00 0.24 C ATOM 720 C THR A 52 4.361 0.502 0.565 1.00 0.24 C ATOM 721 O THR A 52 3.470 1.351 0.648 1.00 0.27 O ATOM 722 CB THR A 52 3.694 -1.910 0.571 1.00 0.27 C ATOM 723 OG1 THR A 52 4.694 -2.270 1.532 1.00 0.28 O ATOM 724 CG2 THR A 52 3.361 -3.117 -0.283 1.00 0.26 C ATOM 0 H THR A 52 5.882 -1.927 -0.639 1.00 0.20 H new ATOM 0 HA THR A 52 3.442 -0.542 -1.070 1.00 0.24 H new ATOM 0 HB THR A 52 2.792 -1.585 1.089 1.00 0.27 H new ATOM 0 HG1 THR A 52 4.264 -2.661 2.321 1.00 0.28 H new ATOM 0 HG21 THR A 52 3.014 -3.930 0.355 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.578 -2.855 -0.994 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.251 -3.436 -0.825 1.00 0.26 H new ATOM 732 N ASN A 53 5.519 0.604 1.205 1.00 0.25 N ATOM 733 CA ASN A 53 5.857 1.778 1.994 1.00 0.27 C ATOM 734 C ASN A 53 6.013 2.997 1.097 1.00 0.24 C ATOM 735 O ASN A 53 5.710 4.120 1.505 1.00 0.27 O ATOM 736 CB ASN A 53 7.136 1.540 2.791 1.00 0.34 C ATOM 737 CG ASN A 53 6.906 0.770 4.079 1.00 0.81 C ATOM 738 OD1 ASN A 53 7.772 0.018 4.528 1.00 1.59 O ATOM 739 ND2 ASN A 53 5.757 0.977 4.703 1.00 1.42 N ATOM 0 H ASN A 53 6.241 -0.116 1.192 1.00 0.25 H new ATOM 0 HA ASN A 53 5.043 1.964 2.695 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.846 0.993 2.171 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.593 2.501 3.027 1.00 0.34 H new ATOM 0 HD21 ASN A 53 5.565 0.506 5.587 1.00 1.42 H new ATOM 0 HD22 ASN A 53 5.064 1.607 4.300 1.00 1.42 H new ATOM 746 N GLN A 54 6.494 2.769 -0.122 1.00 0.23 N ATOM 747 CA GLN A 54 6.516 3.810 -1.142 1.00 0.25 C ATOM 748 C GLN A 54 5.101 4.257 -1.448 1.00 0.25 C ATOM 749 O GLN A 54 4.785 5.445 -1.411 1.00 0.28 O ATOM 750 CB GLN A 54 7.127 3.292 -2.441 1.00 0.27 C ATOM 751 CG GLN A 54 8.626 3.132 -2.415 1.00 0.40 C ATOM 752 CD GLN A 54 9.145 2.505 -3.685 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.583 2.687 -4.766 1.00 1.27 O ATOM 754 NE2 GLN A 54 10.220 1.761 -3.568 1.00 1.34 N ATOM 0 H GLN A 54 6.873 1.872 -0.426 1.00 0.23 H new ATOM 0 HA GLN A 54 7.114 4.636 -0.757 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.677 2.328 -2.679 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.863 3.975 -3.248 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.093 4.107 -2.274 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.911 2.515 -1.563 1.00 0.40 H new ATOM 0 HE21 GLN A 54 10.656 1.635 -2.655 1.00 1.34 H new ATOM 0 HE22 GLN A 54 10.619 1.309 -4.391 1.00 1.34 H new ATOM 763 N ALA A 55 4.264 3.275 -1.759 1.00 0.24 N ATOM 764 CA ALA A 55 2.879 3.512 -2.125 1.00 0.25 C ATOM 765 C ALA A 55 2.158 4.314 -1.054 1.00 0.26 C ATOM 766 O ALA A 55 1.322 5.162 -1.363 1.00 0.30 O ATOM 767 CB ALA A 55 2.175 2.188 -2.359 1.00 0.24 C ATOM 0 H ALA A 55 4.530 2.290 -1.764 1.00 0.24 H new ATOM 0 HA ALA A 55 2.861 4.095 -3.046 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.136 2.372 -2.633 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.673 1.648 -3.165 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.209 1.591 -1.447 1.00 0.24 H new ATOM 773 N ALA A 56 2.489 4.035 0.204 1.00 0.26 N ATOM 774 CA ALA A 56 1.980 4.813 1.321 1.00 0.27 C ATOM 775 C ALA A 56 2.234 6.292 1.088 1.00 0.26 C ATOM 776 O ALA A 56 1.316 7.098 1.124 1.00 0.30 O ATOM 777 CB ALA A 56 2.632 4.376 2.623 1.00 0.29 C ATOM 0 H ALA A 56 3.110 3.272 0.472 1.00 0.26 H new ATOM 0 HA ALA A 56 0.906 4.642 1.395 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.236 4.971 3.446 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.417 3.322 2.802 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.710 4.520 2.556 1.00 0.29 H new ATOM 783 N VAL A 57 3.482 6.634 0.804 1.00 0.26 N ATOM 784 CA VAL A 57 3.850 8.023 0.583 1.00 0.27 C ATOM 785 C VAL A 57 3.067 8.618 -0.578 1.00 0.26 C ATOM 786 O VAL A 57 2.760 9.795 -0.570 1.00 0.30 O ATOM 787 CB VAL A 57 5.344 8.194 0.258 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.675 9.661 0.143 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.235 7.531 1.284 1.00 0.30 C ATOM 0 H VAL A 57 4.253 5.972 0.722 1.00 0.26 H new ATOM 0 HA VAL A 57 3.619 8.537 1.516 1.00 0.27 H new ATOM 0 HB VAL A 57 5.534 7.699 -0.694 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.734 9.778 -0.087 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.079 10.107 -0.653 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.452 10.159 1.086 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.279 7.680 1.010 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.051 7.971 2.264 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.018 6.463 1.319 1.00 0.30 H new ATOM 799 N TYR A 58 2.768 7.812 -1.586 1.00 0.25 N ATOM 800 CA TYR A 58 1.961 8.280 -2.705 1.00 0.27 C ATOM 801 C TYR A 58 0.553 8.587 -2.236 1.00 0.28 C ATOM 802 O TYR A 58 -0.022 9.605 -2.600 1.00 0.29 O ATOM 803 CB TYR A 58 1.942 7.259 -3.825 1.00 0.27 C ATOM 804 CG TYR A 58 3.222 7.236 -4.613 1.00 0.28 C ATOM 805 CD1 TYR A 58 4.291 6.470 -4.204 1.00 0.28 C ATOM 806 CD2 TYR A 58 3.358 7.985 -5.766 1.00 0.35 C ATOM 807 CE1 TYR A 58 5.466 6.449 -4.919 1.00 0.30 C ATOM 808 CE2 TYR A 58 4.527 7.969 -6.494 1.00 0.38 C ATOM 809 CZ TYR A 58 5.581 7.199 -6.067 1.00 0.33 C ATOM 810 OH TYR A 58 6.753 7.179 -6.789 1.00 0.37 O ATOM 0 H TYR A 58 3.068 6.840 -1.653 1.00 0.25 H new ATOM 0 HA TYR A 58 2.408 9.194 -3.096 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.761 6.269 -3.406 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.111 7.478 -4.496 1.00 0.27 H new ATOM 0 HD1 TYR A 58 4.205 5.876 -3.306 1.00 0.28 H new ATOM 0 HD2 TYR A 58 2.532 8.594 -6.103 1.00 0.35 H new ATOM 0 HE1 TYR A 58 6.295 5.846 -4.580 1.00 0.30 H new ATOM 0 HE2 TYR A 58 4.614 8.558 -7.395 1.00 0.38 H new ATOM 0 HH TYR A 58 6.665 7.763 -7.571 1.00 0.37 H new ATOM 820 N PHE A 59 0.024 7.703 -1.410 1.00 0.30 N ATOM 821 CA PHE A 59 -1.250 7.922 -0.747 1.00 0.32 C ATOM 822 C PHE A 59 -1.216 9.255 -0.001 1.00 0.35 C ATOM 823 O PHE A 59 -2.071 10.123 -0.196 1.00 0.42 O ATOM 824 CB PHE A 59 -1.503 6.769 0.219 1.00 0.33 C ATOM 825 CG PHE A 59 -2.887 6.739 0.780 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.233 7.521 1.869 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.844 5.927 0.205 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.519 7.493 2.372 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.127 5.892 0.701 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.468 6.678 1.786 1.00 0.47 C ATOM 0 H PHE A 59 0.465 6.813 -1.179 1.00 0.30 H new ATOM 0 HA PHE A 59 -2.057 7.960 -1.479 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.310 5.828 -0.296 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.790 6.834 1.041 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.492 8.158 2.329 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.583 5.312 -0.644 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.782 8.107 3.221 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.866 5.252 0.243 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.475 6.655 2.175 1.00 0.47 H new ATOM 840 N GLU A 60 -0.207 9.393 0.847 1.00 0.34 N ATOM 841 CA GLU A 60 0.113 10.629 1.533 1.00 0.37 C ATOM 842 C GLU A 60 0.214 11.819 0.570 1.00 0.35 C ATOM 843 O GLU A 60 -0.337 12.892 0.825 1.00 0.41 O ATOM 844 CB GLU A 60 1.447 10.423 2.240 1.00 0.39 C ATOM 845 CG GLU A 60 1.348 9.749 3.597 1.00 0.44 C ATOM 846 CD GLU A 60 0.504 8.491 3.648 1.00 0.91 C ATOM 847 OE1 GLU A 60 -0.741 8.613 3.675 1.00 1.07 O ATOM 848 OE2 GLU A 60 1.072 7.386 3.738 1.00 1.42 O ATOM 0 H GLU A 60 0.425 8.627 1.080 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.684 10.864 2.238 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.094 9.825 1.599 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.930 11.392 2.365 1.00 0.39 H new ATOM 0 HG2 GLU A 60 2.355 9.502 3.934 1.00 0.44 H new ATOM 0 HG3 GLU A 60 0.941 10.466 4.309 1.00 0.44 H new ATOM 855 N LYS A 61 0.925 11.598 -0.526 1.00 0.32 N ATOM 856 CA LYS A 61 1.211 12.611 -1.537 1.00 0.33 C ATOM 857 C LYS A 61 -0.051 13.078 -2.267 1.00 0.35 C ATOM 858 O LYS A 61 -0.062 14.141 -2.885 1.00 0.40 O ATOM 859 CB LYS A 61 2.215 12.025 -2.538 1.00 0.33 C ATOM 860 CG LYS A 61 3.624 12.579 -2.380 1.00 0.48 C ATOM 861 CD LYS A 61 4.698 11.663 -2.972 1.00 0.49 C ATOM 862 CE LYS A 61 4.280 11.014 -4.283 1.00 0.36 C ATOM 863 NZ LYS A 61 3.942 12.012 -5.333 1.00 1.10 N ATOM 0 H LYS A 61 1.330 10.688 -0.744 1.00 0.32 H new ATOM 0 HA LYS A 61 1.627 13.488 -1.041 1.00 0.33 H new ATOM 0 HB2 LYS A 61 2.244 10.942 -2.420 1.00 0.33 H new ATOM 0 HB3 LYS A 61 1.866 12.226 -3.551 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.681 13.555 -2.862 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.831 12.734 -1.321 1.00 0.48 H new ATOM 0 HD2 LYS A 61 5.608 12.240 -3.134 1.00 0.49 H new ATOM 0 HD3 LYS A 61 4.939 10.883 -2.249 1.00 0.49 H new ATOM 0 HE2 LYS A 61 5.087 10.374 -4.641 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.418 10.371 -4.107 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 4.340 11.706 -6.244 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 2.908 12.092 -5.416 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 4.341 12.937 -5.074 1.00 1.10 H new ATOM 877 N GLY A 62 -1.109 12.279 -2.193 1.00 0.34 N ATOM 878 CA GLY A 62 -2.324 12.583 -2.927 1.00 0.36 C ATOM 879 C GLY A 62 -2.391 11.791 -4.213 1.00 0.33 C ATOM 880 O GLY A 62 -3.360 11.870 -4.972 1.00 0.35 O ATOM 0 H GLY A 62 -1.148 11.425 -1.637 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.193 12.355 -2.310 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.362 13.649 -3.150 1.00 0.36 H new ATOM 884 N ASP A 63 -1.348 11.012 -4.433 1.00 0.31 N ATOM 885 CA ASP A 63 -1.207 10.183 -5.612 1.00 0.30 C ATOM 886 C ASP A 63 -1.852 8.820 -5.380 1.00 0.27 C ATOM 887 O ASP A 63 -1.165 7.814 -5.176 1.00 0.32 O ATOM 888 CB ASP A 63 0.278 10.021 -5.935 1.00 0.32 C ATOM 889 CG ASP A 63 0.886 11.257 -6.560 1.00 0.84 C ATOM 890 OD1 ASP A 63 1.355 12.138 -5.808 1.00 1.26 O ATOM 891 OD2 ASP A 63 0.926 11.346 -7.806 1.00 1.26 O ATOM 0 H ASP A 63 -0.563 10.938 -3.786 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.710 10.659 -6.454 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.819 9.780 -5.020 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.407 9.177 -6.613 1.00 0.32 H new ATOM 896 N TYR A 64 -3.179 8.793 -5.417 1.00 0.27 N ATOM 897 CA TYR A 64 -3.932 7.586 -5.093 1.00 0.28 C ATOM 898 C TYR A 64 -3.773 6.528 -6.178 1.00 0.29 C ATOM 899 O TYR A 64 -3.811 5.328 -5.901 1.00 0.34 O ATOM 900 CB TYR A 64 -5.414 7.921 -4.872 1.00 0.29 C ATOM 901 CG TYR A 64 -5.623 8.949 -3.783 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.323 8.654 -2.457 1.00 0.33 C ATOM 903 CD2 TYR A 64 -6.098 10.219 -4.081 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.492 9.595 -1.463 1.00 0.36 C ATOM 905 CE2 TYR A 64 -6.269 11.167 -3.090 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.964 10.850 -1.784 1.00 0.38 C ATOM 907 OH TYR A 64 -6.137 11.790 -0.795 1.00 0.43 O ATOM 0 H TYR A 64 -3.757 9.595 -5.669 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.528 7.175 -4.168 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.841 8.292 -5.803 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.954 7.010 -4.615 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.952 7.672 -2.202 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.338 10.470 -5.104 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.256 9.350 -0.438 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.640 12.151 -3.338 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.475 12.621 -1.189 1.00 0.43 H new ATOM 917 N ASN A 65 -3.559 6.972 -7.407 1.00 0.31 N ATOM 918 CA ASN A 65 -3.386 6.051 -8.524 1.00 0.37 C ATOM 919 C ASN A 65 -2.041 5.341 -8.434 1.00 0.33 C ATOM 920 O ASN A 65 -1.908 4.188 -8.838 1.00 0.34 O ATOM 921 CB ASN A 65 -3.504 6.781 -9.861 1.00 0.47 C ATOM 922 CG ASN A 65 -4.924 7.203 -10.180 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.374 8.275 -9.772 1.00 1.66 O ATOM 924 ND2 ASN A 65 -5.636 6.374 -10.927 1.00 2.18 N ATOM 0 H ASN A 65 -3.501 7.959 -7.657 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.180 5.307 -8.466 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -2.863 7.663 -9.845 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -3.136 6.133 -10.656 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -6.593 6.614 -11.184 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -5.227 5.495 -11.245 1.00 2.18 H new ATOM 931 N LYS A 66 -1.050 6.030 -7.888 1.00 0.34 N ATOM 932 CA LYS A 66 0.277 5.479 -7.741 1.00 0.32 C ATOM 933 C LYS A 66 0.361 4.574 -6.533 1.00 0.31 C ATOM 934 O LYS A 66 1.097 3.591 -6.539 1.00 0.32 O ATOM 935 CB LYS A 66 1.279 6.595 -7.622 1.00 0.29 C ATOM 936 CG LYS A 66 2.439 6.423 -8.556 1.00 0.40 C ATOM 937 CD LYS A 66 3.280 5.246 -8.189 1.00 0.63 C ATOM 938 CE LYS A 66 4.626 5.372 -8.874 1.00 0.42 C ATOM 939 NZ LYS A 66 5.502 4.194 -8.711 1.00 0.68 N ATOM 0 H LYS A 66 -1.148 6.983 -7.537 1.00 0.34 H new ATOM 0 HA LYS A 66 0.501 4.882 -8.625 1.00 0.32 H new ATOM 0 HB2 LYS A 66 0.787 7.545 -7.829 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.646 6.643 -6.597 1.00 0.29 H new ATOM 0 HG2 LYS A 66 2.070 6.302 -9.574 1.00 0.40 H new ATOM 0 HG3 LYS A 66 3.051 7.325 -8.544 1.00 0.40 H new ATOM 0 HD2 LYS A 66 3.410 5.198 -7.108 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.788 4.322 -8.492 1.00 0.63 H new ATOM 0 HE2 LYS A 66 4.465 5.546 -9.938 1.00 0.42 H new ATOM 0 HE3 LYS A 66 5.140 6.250 -8.482 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 6.260 4.224 -9.422 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 5.920 4.201 -7.759 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.943 3.326 -8.837 1.00 0.68 H new ATOM 953 N CYS A 67 -0.381 4.908 -5.491 1.00 0.31 N ATOM 954 CA CYS A 67 -0.491 4.018 -4.355 1.00 0.32 C ATOM 955 C CYS A 67 -1.108 2.705 -4.831 1.00 0.36 C ATOM 956 O CYS A 67 -0.677 1.620 -4.444 1.00 0.39 O ATOM 957 CB CYS A 67 -1.337 4.652 -3.250 1.00 0.33 C ATOM 958 SG CYS A 67 -1.616 3.583 -1.820 1.00 1.29 S ATOM 0 H CYS A 67 -0.908 5.777 -5.410 1.00 0.31 H new ATOM 0 HA CYS A 67 0.497 3.828 -3.936 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.849 5.567 -2.915 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.302 4.940 -3.667 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.879 3.286 -1.740 1.00 1.29 H new ATOM 964 N ARG A 68 -2.100 2.827 -5.710 1.00 0.38 N ATOM 965 CA ARG A 68 -2.720 1.679 -6.355 1.00 0.45 C ATOM 966 C ARG A 68 -1.703 0.957 -7.239 1.00 0.42 C ATOM 967 O ARG A 68 -1.567 -0.267 -7.169 1.00 0.48 O ATOM 968 CB ARG A 68 -3.931 2.147 -7.179 1.00 0.60 C ATOM 969 CG ARG A 68 -4.758 1.026 -7.799 1.00 1.00 C ATOM 970 CD ARG A 68 -4.187 0.539 -9.122 1.00 1.21 C ATOM 971 NE ARG A 68 -5.032 -0.486 -9.732 1.00 1.92 N ATOM 972 CZ ARG A 68 -4.568 -1.531 -10.420 1.00 2.48 C ATOM 973 NH1 ARG A 68 -3.259 -1.691 -10.595 1.00 2.64 N ATOM 974 NH2 ARG A 68 -5.416 -2.414 -10.937 1.00 3.39 N ATOM 0 H ARG A 68 -2.494 3.724 -5.993 1.00 0.38 H new ATOM 0 HA ARG A 68 -3.064 0.976 -5.596 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.579 2.745 -6.538 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.579 2.802 -7.976 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.811 0.190 -7.101 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.778 1.376 -7.955 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -4.085 1.381 -9.806 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -3.187 0.137 -8.961 1.00 1.21 H new ATOM 0 HE ARG A 68 -6.042 -0.397 -9.625 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -2.605 -1.013 -10.203 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -2.909 -2.491 -11.122 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -6.420 -2.293 -10.808 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -5.062 -3.213 -11.463 1.00 3.39 H new ATOM 988 N GLU A 69 -1.001 1.728 -8.072 1.00 0.38 N ATOM 989 CA GLU A 69 0.036 1.190 -8.951 1.00 0.37 C ATOM 990 C GLU A 69 1.042 0.363 -8.166 1.00 0.31 C ATOM 991 O GLU A 69 1.305 -0.798 -8.483 1.00 0.34 O ATOM 992 CB GLU A 69 0.781 2.321 -9.689 1.00 0.38 C ATOM 993 CG GLU A 69 1.965 1.819 -10.502 1.00 0.67 C ATOM 994 CD GLU A 69 2.715 2.928 -11.202 1.00 1.20 C ATOM 995 OE1 GLU A 69 2.165 3.511 -12.157 1.00 1.19 O ATOM 996 OE2 GLU A 69 3.866 3.209 -10.812 1.00 2.08 O ATOM 0 H GLU A 69 -1.135 2.736 -8.155 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.462 0.553 -9.682 1.00 0.37 H new ATOM 0 HB2 GLU A 69 0.085 2.836 -10.351 1.00 0.38 H new ATOM 0 HB3 GLU A 69 1.131 3.054 -8.962 1.00 0.38 H new ATOM 0 HG2 GLU A 69 2.650 1.284 -9.844 1.00 0.67 H new ATOM 0 HG3 GLU A 69 1.611 1.103 -11.244 1.00 0.67 H new ATOM 1003 N LEU A 70 1.577 0.964 -7.126 1.00 0.24 N ATOM 1004 CA LEU A 70 2.689 0.391 -6.406 1.00 0.21 C ATOM 1005 C LEU A 70 2.280 -0.763 -5.503 1.00 0.22 C ATOM 1006 O LEU A 70 2.991 -1.759 -5.432 1.00 0.23 O ATOM 1007 CB LEU A 70 3.389 1.471 -5.600 1.00 0.20 C ATOM 1008 CG LEU A 70 4.251 2.432 -6.417 1.00 0.21 C ATOM 1009 CD1 LEU A 70 4.956 3.382 -5.478 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.263 1.646 -7.239 1.00 0.24 C ATOM 0 H LEU A 70 1.254 1.859 -6.758 1.00 0.24 H new ATOM 0 HA LEU A 70 3.374 -0.023 -7.146 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.636 2.049 -5.064 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.017 0.993 -4.849 1.00 0.20 H new ATOM 0 HG LEU A 70 3.623 3.004 -7.100 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.574 4.071 -6.054 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.217 3.946 -4.908 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.587 2.815 -4.793 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.875 2.336 -7.820 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.902 1.067 -6.572 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.737 0.971 -7.914 1.00 0.24 H new ATOM 1022 N CYS A 71 1.149 -0.649 -4.820 1.00 0.24 N ATOM 1023 CA CYS A 71 0.716 -1.713 -3.919 1.00 0.25 C ATOM 1024 C CYS A 71 0.492 -3.019 -4.675 1.00 0.24 C ATOM 1025 O CYS A 71 0.975 -4.063 -4.258 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.543 -1.315 -3.158 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.307 0.028 -1.973 1.00 1.10 S ATOM 0 H CYS A 71 0.523 0.154 -4.869 1.00 0.24 H new ATOM 0 HA CYS A 71 1.515 -1.871 -3.195 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.308 -1.019 -3.876 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.923 -2.188 -2.628 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.625 1.159 -2.530 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.212 -2.950 -5.800 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.472 -4.132 -6.620 1.00 0.26 C ATOM 1035 C GLU A 72 0.830 -4.710 -7.181 1.00 0.23 C ATOM 1036 O GLU A 72 0.978 -5.927 -7.300 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.426 -3.769 -7.755 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.819 -4.359 -7.608 1.00 0.87 C ATOM 1039 CD GLU A 72 -2.855 -5.845 -7.884 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -2.947 -6.225 -9.070 1.00 1.68 O ATOM 1041 OE2 GLU A 72 -2.797 -6.640 -6.924 1.00 2.09 O ATOM 0 H GLU A 72 -0.614 -2.087 -6.167 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.932 -4.896 -5.993 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.507 -2.684 -7.814 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -0.997 -4.108 -8.698 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -3.184 -4.172 -6.598 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.499 -3.850 -8.291 1.00 0.87 H new ATOM 1048 N LYS A 73 1.772 -3.832 -7.516 1.00 0.23 N ATOM 1049 CA LYS A 73 3.088 -4.257 -7.983 1.00 0.23 C ATOM 1050 C LYS A 73 3.832 -4.954 -6.856 1.00 0.20 C ATOM 1051 O LYS A 73 4.360 -6.048 -7.030 1.00 0.21 O ATOM 1052 CB LYS A 73 3.900 -3.054 -8.486 1.00 0.27 C ATOM 1053 CG LYS A 73 5.381 -3.339 -8.761 1.00 0.33 C ATOM 1054 CD LYS A 73 5.631 -4.055 -10.090 1.00 0.57 C ATOM 1055 CE LYS A 73 5.353 -5.551 -10.021 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.731 -6.245 -11.282 1.00 1.23 N ATOM 0 H LYS A 73 1.648 -2.821 -7.473 1.00 0.23 H new ATOM 0 HA LYS A 73 2.956 -4.952 -8.812 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.441 -2.683 -9.402 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.831 -2.254 -7.748 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.930 -2.398 -8.756 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.782 -3.946 -7.950 1.00 0.33 H new ATOM 0 HD2 LYS A 73 5.002 -3.609 -10.861 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.666 -3.897 -10.393 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.906 -5.985 -9.188 1.00 0.60 H new ATOM 0 HE3 LYS A 73 4.294 -5.715 -9.820 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 5.526 -7.261 -11.194 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 5.185 -5.849 -12.073 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 6.747 -6.111 -11.461 1.00 1.23 H new ATOM 1070 N ALA A 74 3.858 -4.308 -5.698 1.00 0.19 N ATOM 1071 CA ALA A 74 4.470 -4.873 -4.508 1.00 0.17 C ATOM 1072 C ALA A 74 3.846 -6.210 -4.183 1.00 0.16 C ATOM 1073 O ALA A 74 4.542 -7.165 -3.884 1.00 0.16 O ATOM 1074 CB ALA A 74 4.326 -3.920 -3.334 1.00 0.18 C ATOM 0 H ALA A 74 3.456 -3.381 -5.560 1.00 0.19 H new ATOM 0 HA ALA A 74 5.532 -5.023 -4.701 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.790 -4.358 -2.450 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.816 -2.975 -3.570 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.269 -3.741 -3.138 1.00 0.18 H new ATOM 1080 N ILE A 75 2.530 -6.276 -4.266 1.00 0.16 N ATOM 1081 CA ILE A 75 1.820 -7.513 -4.015 1.00 0.16 C ATOM 1082 C ILE A 75 2.229 -8.577 -5.009 1.00 0.17 C ATOM 1083 O ILE A 75 2.409 -9.725 -4.639 1.00 0.18 O ATOM 1084 CB ILE A 75 0.301 -7.315 -4.063 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.132 -6.453 -2.886 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.421 -8.653 -4.046 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.622 -6.298 -2.772 1.00 0.23 C ATOM 0 H ILE A 75 1.932 -5.485 -4.506 1.00 0.16 H new ATOM 0 HA ILE A 75 2.089 -7.839 -3.010 1.00 0.16 H new ATOM 0 HB ILE A 75 0.037 -6.811 -4.993 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.251 -6.891 -1.965 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.322 -5.467 -2.982 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.498 -8.486 -4.081 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.117 -9.242 -4.912 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.167 -9.192 -3.133 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.858 -5.672 -1.912 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -2.010 -5.831 -3.678 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.081 -7.278 -2.644 1.00 0.23 H new ATOM 1099 N GLU A 76 2.393 -8.190 -6.263 1.00 0.18 N ATOM 1100 CA GLU A 76 2.857 -9.127 -7.277 1.00 0.21 C ATOM 1101 C GLU A 76 4.264 -9.619 -6.925 1.00 0.20 C ATOM 1102 O GLU A 76 4.618 -10.769 -7.180 1.00 0.24 O ATOM 1103 CB GLU A 76 2.859 -8.464 -8.654 1.00 0.24 C ATOM 1104 CG GLU A 76 3.091 -9.441 -9.795 1.00 0.77 C ATOM 1105 CD GLU A 76 1.939 -10.408 -9.976 1.00 1.47 C ATOM 1106 OE1 GLU A 76 1.831 -11.357 -9.171 1.00 2.35 O ATOM 1107 OE2 GLU A 76 1.135 -10.223 -10.914 1.00 1.62 O ATOM 0 H GLU A 76 2.215 -7.245 -6.603 1.00 0.18 H new ATOM 0 HA GLU A 76 2.179 -9.980 -7.305 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.905 -7.958 -8.807 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.634 -7.698 -8.679 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.242 -8.885 -10.720 1.00 0.77 H new ATOM 0 HG3 GLU A 76 4.006 -10.003 -9.607 1.00 0.77 H new ATOM 1114 N VAL A 77 5.043 -8.736 -6.317 1.00 0.21 N ATOM 1115 CA VAL A 77 6.406 -9.039 -5.896 1.00 0.22 C ATOM 1116 C VAL A 77 6.419 -9.926 -4.646 1.00 0.21 C ATOM 1117 O VAL A 77 7.199 -10.874 -4.549 1.00 0.24 O ATOM 1118 CB VAL A 77 7.176 -7.727 -5.620 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.534 -7.996 -5.003 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.327 -6.924 -6.905 1.00 0.25 C ATOM 0 H VAL A 77 4.747 -7.784 -6.100 1.00 0.21 H new ATOM 0 HA VAL A 77 6.895 -9.585 -6.702 1.00 0.22 H new ATOM 0 HB VAL A 77 6.597 -7.146 -4.903 1.00 0.22 H new ATOM 0 HG11 VAL A 77 9.046 -7.051 -4.823 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.406 -8.525 -4.058 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.128 -8.607 -5.683 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.871 -6.003 -6.697 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.878 -7.512 -7.639 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.341 -6.681 -7.300 1.00 0.25 H new ATOM 1130 N GLY A 78 5.550 -9.624 -3.694 1.00 0.19 N ATOM 1131 CA GLY A 78 5.451 -10.436 -2.498 1.00 0.21 C ATOM 1132 C GLY A 78 4.787 -11.763 -2.784 1.00 0.21 C ATOM 1133 O GLY A 78 5.111 -12.776 -2.176 1.00 0.27 O ATOM 0 H GLY A 78 4.910 -8.830 -3.728 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.447 -10.607 -2.089 1.00 0.21 H new ATOM 0 HA3 GLY A 78 4.882 -9.899 -1.738 1.00 0.21 H new ATOM 1137 N ARG A 79 3.858 -11.747 -3.724 1.00 0.21 N ATOM 1138 CA ARG A 79 3.213 -12.957 -4.209 1.00 0.28 C ATOM 1139 C ARG A 79 4.257 -13.820 -4.910 1.00 0.28 C ATOM 1140 O ARG A 79 4.208 -15.047 -4.877 1.00 0.33 O ATOM 1141 CB ARG A 79 2.098 -12.574 -5.189 1.00 0.39 C ATOM 1142 CG ARG A 79 1.046 -13.642 -5.407 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.068 -13.513 -4.384 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.183 -14.410 -4.671 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.232 -14.571 -3.870 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -2.266 -13.967 -2.691 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.238 -15.354 -4.242 1.00 2.63 N ATOM 0 H ARG A 79 3.528 -10.893 -4.174 1.00 0.21 H new ATOM 0 HA ARG A 79 2.779 -13.516 -3.380 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.608 -11.671 -4.824 1.00 0.39 H new ATOM 0 HB3 ARG A 79 2.548 -12.326 -6.150 1.00 0.39 H new ATOM 0 HG2 ARG A 79 0.635 -13.555 -6.413 1.00 0.81 H new ATOM 0 HG3 ARG A 79 1.502 -14.629 -5.333 1.00 0.81 H new ATOM 0 HD2 ARG A 79 0.325 -13.730 -3.391 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.426 -12.484 -4.367 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.156 -14.946 -5.539 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -1.487 -13.378 -2.397 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -3.071 -14.091 -2.077 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.206 -15.832 -5.142 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.043 -15.477 -3.627 1.00 2.63 H new ATOM 1161 N GLU A 80 5.211 -13.132 -5.525 1.00 0.27 N ATOM 1162 CA GLU A 80 6.332 -13.748 -6.221 1.00 0.32 C ATOM 1163 C GLU A 80 7.276 -14.458 -5.250 1.00 0.31 C ATOM 1164 O GLU A 80 7.553 -15.649 -5.385 1.00 0.37 O ATOM 1165 CB GLU A 80 7.093 -12.641 -6.968 1.00 0.36 C ATOM 1166 CG GLU A 80 8.572 -12.916 -7.200 1.00 0.57 C ATOM 1167 CD GLU A 80 8.818 -14.050 -8.173 1.00 1.18 C ATOM 1168 OE1 GLU A 80 8.513 -13.892 -9.371 1.00 1.22 O ATOM 1169 OE2 GLU A 80 9.314 -15.108 -7.738 1.00 1.96 O ATOM 0 H GLU A 80 5.227 -12.113 -5.554 1.00 0.27 H new ATOM 0 HA GLU A 80 5.953 -14.499 -6.914 1.00 0.32 H new ATOM 0 HB2 GLU A 80 6.614 -12.480 -7.934 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.996 -11.712 -6.406 1.00 0.36 H new ATOM 0 HG2 GLU A 80 9.049 -12.011 -7.577 1.00 0.57 H new ATOM 0 HG3 GLU A 80 9.046 -13.153 -6.247 1.00 0.57 H new ATOM 1176 N ASN A 81 7.743 -13.719 -4.259 1.00 0.29 N ATOM 1177 CA ASN A 81 8.816 -14.192 -3.397 1.00 0.35 C ATOM 1178 C ASN A 81 8.271 -14.739 -2.080 1.00 0.35 C ATOM 1179 O ASN A 81 9.025 -15.028 -1.149 1.00 0.49 O ATOM 1180 CB ASN A 81 9.793 -13.044 -3.141 1.00 0.40 C ATOM 1181 CG ASN A 81 11.084 -13.493 -2.478 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.584 -14.585 -2.743 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.624 -12.665 -1.598 1.00 1.13 N ATOM 0 H ASN A 81 7.397 -12.787 -4.030 1.00 0.29 H new ATOM 0 HA ASN A 81 9.335 -15.010 -3.896 1.00 0.35 H new ATOM 0 HB2 ASN A 81 10.028 -12.558 -4.088 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.309 -12.297 -2.511 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.483 -12.925 -1.114 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.181 -11.767 -1.404 1.00 1.13 H new ATOM 1190 N ARG A 82 6.950 -14.881 -2.023 1.00 0.32 N ATOM 1191 CA ARG A 82 6.263 -15.409 -0.847 1.00 0.37 C ATOM 1192 C ARG A 82 6.521 -14.538 0.378 1.00 0.32 C ATOM 1193 O ARG A 82 6.859 -15.035 1.451 1.00 0.38 O ATOM 1194 CB ARG A 82 6.689 -16.852 -0.577 1.00 0.47 C ATOM 1195 CG ARG A 82 6.265 -17.824 -1.665 1.00 1.04 C ATOM 1196 CD ARG A 82 4.753 -17.857 -1.818 1.00 1.99 C ATOM 1197 NE ARG A 82 4.317 -18.880 -2.765 1.00 2.83 N ATOM 1198 CZ ARG A 82 3.293 -18.731 -3.607 1.00 3.77 C ATOM 1199 NH1 ARG A 82 2.599 -17.600 -3.629 1.00 4.01 N ATOM 1200 NH2 ARG A 82 2.958 -19.721 -4.420 1.00 4.67 N ATOM 0 H ARG A 82 6.325 -14.634 -2.790 1.00 0.32 H new ATOM 0 HA ARG A 82 5.192 -15.396 -1.051 1.00 0.37 H new ATOM 0 HB2 ARG A 82 7.773 -16.888 -0.471 1.00 0.47 H new ATOM 0 HB3 ARG A 82 6.265 -17.176 0.373 1.00 0.47 H new ATOM 0 HG2 ARG A 82 6.722 -17.536 -2.612 1.00 1.04 H new ATOM 0 HG3 ARG A 82 6.630 -18.823 -1.426 1.00 1.04 H new ATOM 0 HD2 ARG A 82 4.295 -18.045 -0.847 1.00 1.99 H new ATOM 0 HD3 ARG A 82 4.402 -16.881 -2.153 1.00 1.99 H new ATOM 0 HE ARG A 82 4.827 -19.763 -2.784 1.00 2.83 H new ATOM 0 HH11 ARG A 82 2.847 -16.837 -2.999 1.00 4.01 H new ATOM 0 HH12 ARG A 82 1.817 -17.494 -4.276 1.00 4.01 H new ATOM 0 HH21 ARG A 82 3.483 -20.596 -4.402 1.00 4.67 H new ATOM 0 HH22 ARG A 82 2.175 -19.609 -5.064 1.00 4.67 H new ATOM 1214 N GLU A 83 6.352 -13.236 0.206 1.00 0.27 N ATOM 1215 CA GLU A 83 6.565 -12.286 1.285 1.00 0.27 C ATOM 1216 C GLU A 83 5.308 -12.184 2.148 1.00 0.25 C ATOM 1217 O GLU A 83 4.256 -12.716 1.781 1.00 0.25 O ATOM 1218 CB GLU A 83 6.969 -10.911 0.735 1.00 0.28 C ATOM 1219 CG GLU A 83 7.626 -10.011 1.784 1.00 0.43 C ATOM 1220 CD GLU A 83 8.227 -8.742 1.209 1.00 0.94 C ATOM 1221 OE1 GLU A 83 8.761 -8.789 0.086 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.170 -7.687 1.881 1.00 1.60 O ATOM 0 H GLU A 83 6.066 -12.812 -0.677 1.00 0.27 H new ATOM 0 HA GLU A 83 7.385 -12.645 1.907 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.657 -11.048 -0.099 1.00 0.28 H new ATOM 0 HB3 GLU A 83 6.085 -10.411 0.339 1.00 0.28 H new ATOM 0 HG2 GLU A 83 6.884 -9.743 2.536 1.00 0.43 H new ATOM 0 HG3 GLU A 83 8.408 -10.574 2.294 1.00 0.43 H new ATOM 1229 N ASP A 84 5.444 -11.535 3.302 1.00 0.26 N ATOM 1230 CA ASP A 84 4.358 -11.379 4.273 1.00 0.26 C ATOM 1231 C ASP A 84 3.032 -11.008 3.607 1.00 0.25 C ATOM 1232 O ASP A 84 2.863 -9.897 3.106 1.00 0.26 O ATOM 1233 CB ASP A 84 4.739 -10.309 5.297 1.00 0.29 C ATOM 1234 CG ASP A 84 3.712 -10.173 6.403 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.371 -11.195 7.026 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.230 -9.046 6.642 1.00 0.68 O ATOM 0 H ASP A 84 6.318 -11.098 3.594 1.00 0.26 H new ATOM 0 HA ASP A 84 4.216 -12.341 4.766 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.707 -10.556 5.733 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.852 -9.350 4.791 1.00 0.29 H new ATOM 1241 N TYR A 85 2.087 -11.946 3.612 1.00 0.26 N ATOM 1242 CA TYR A 85 0.780 -11.713 3.002 1.00 0.26 C ATOM 1243 C TYR A 85 -0.032 -10.727 3.830 1.00 0.27 C ATOM 1244 O TYR A 85 -0.987 -10.126 3.346 1.00 0.26 O ATOM 1245 CB TYR A 85 0.005 -13.022 2.832 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.302 -13.737 4.131 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.251 -13.238 5.005 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.361 -14.907 4.481 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.534 -13.880 6.194 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.083 -15.558 5.664 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.865 -15.057 6.510 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.144 -15.681 7.706 1.00 0.44 O ATOM 0 H TYR A 85 2.201 -12.870 4.029 1.00 0.26 H new ATOM 0 HA TYR A 85 0.949 -11.286 2.013 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.932 -12.812 2.316 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.579 -13.690 2.190 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.780 -12.331 4.753 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.107 -15.314 3.814 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.268 -13.472 6.872 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.614 -16.463 5.921 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.600 -16.492 7.787 1.00 0.44 H new ATOM 1262 N ARG A 86 0.345 -10.577 5.092 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.302 -9.616 5.966 1.00 0.33 C ATOM 1264 C ARG A 86 -0.012 -8.216 5.448 1.00 0.32 C ATOM 1265 O ARG A 86 -0.888 -7.353 5.393 1.00 0.32 O ATOM 1266 CB ARG A 86 0.211 -9.773 7.380 1.00 0.40 C ATOM 1267 CG ARG A 86 0.167 -11.197 7.875 1.00 0.44 C ATOM 1268 CD ARG A 86 0.645 -11.257 9.297 1.00 0.55 C ATOM 1269 NE ARG A 86 2.035 -10.816 9.408 1.00 1.57 N ATOM 1270 CZ ARG A 86 2.533 -10.163 10.455 1.00 1.98 C ATOM 1271 NH1 ARG A 86 1.759 -9.878 11.496 1.00 1.57 N ATOM 1272 NH2 ARG A 86 3.807 -9.789 10.460 1.00 3.04 N ATOM 0 H ARG A 86 1.096 -11.110 5.531 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.379 -9.787 5.975 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.238 -9.410 7.429 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.381 -9.146 8.046 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -0.850 -11.584 7.807 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.792 -11.830 7.245 1.00 0.44 H new ATOM 0 HD2 ARG A 86 0.011 -10.629 9.923 1.00 0.55 H new ATOM 0 HD3 ARG A 86 0.553 -12.277 9.671 1.00 0.55 H new ATOM 0 HE ARG A 86 2.664 -11.023 8.632 1.00 1.57 H new ATOM 0 HH11 ARG A 86 0.779 -10.160 11.495 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.145 -9.377 12.296 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.404 -10.002 9.661 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.188 -9.288 11.263 1.00 3.04 H new ATOM 1286 N GLN A 87 1.242 -8.033 5.057 1.00 0.33 N ATOM 1287 CA GLN A 87 1.712 -6.827 4.397 1.00 0.33 C ATOM 1288 C GLN A 87 0.980 -6.638 3.072 1.00 0.28 C ATOM 1289 O GLN A 87 0.596 -5.526 2.712 1.00 0.28 O ATOM 1290 CB GLN A 87 3.221 -6.966 4.175 1.00 0.39 C ATOM 1291 CG GLN A 87 3.914 -5.749 3.594 1.00 0.49 C ATOM 1292 CD GLN A 87 3.750 -4.498 4.442 1.00 0.57 C ATOM 1293 OE1 GLN A 87 3.726 -3.382 3.918 1.00 1.14 O ATOM 1294 NE2 GLN A 87 3.647 -4.668 5.752 1.00 1.46 N ATOM 0 H GLN A 87 1.972 -8.732 5.193 1.00 0.33 H new ATOM 0 HA GLN A 87 1.512 -5.950 5.012 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.689 -7.207 5.129 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.396 -7.813 3.511 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.976 -5.965 3.480 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.519 -5.557 2.596 1.00 0.49 H new ATOM 0 HE21 GLN A 87 3.671 -5.608 6.148 1.00 1.46 H new ATOM 0 HE22 GLN A 87 3.544 -3.859 6.365 1.00 1.46 H new ATOM 1303 N ILE A 88 0.786 -7.744 2.362 1.00 0.25 N ATOM 1304 CA ILE A 88 0.011 -7.757 1.124 1.00 0.22 C ATOM 1305 C ILE A 88 -1.418 -7.298 1.362 1.00 0.20 C ATOM 1306 O ILE A 88 -1.966 -6.529 0.580 1.00 0.20 O ATOM 1307 CB ILE A 88 0.020 -9.163 0.487 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.315 -9.348 -0.273 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.168 -9.375 -0.432 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.582 -10.743 -0.746 1.00 0.23 C ATOM 0 H ILE A 88 1.160 -8.655 2.627 1.00 0.25 H new ATOM 0 HA ILE A 88 0.482 -7.057 0.434 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.057 -9.905 1.282 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.309 -8.683 -1.137 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.141 -9.033 0.365 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.123 -10.377 -0.859 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.092 -9.264 0.136 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.144 -8.637 -1.234 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.533 -10.771 -1.279 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.626 -11.415 0.111 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.782 -11.060 -1.415 1.00 0.23 H new ATOM 1322 N ALA A 89 -2.012 -7.762 2.444 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.353 -7.345 2.798 1.00 0.21 C ATOM 1324 C ALA A 89 -3.392 -5.849 3.065 1.00 0.22 C ATOM 1325 O ALA A 89 -4.333 -5.167 2.674 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.846 -8.111 4.006 1.00 0.24 C ATOM 0 H ALA A 89 -1.588 -8.426 3.091 1.00 0.21 H new ATOM 0 HA ALA A 89 -4.014 -7.563 1.959 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.855 -7.784 4.257 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.855 -9.178 3.782 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.183 -7.924 4.851 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.364 -5.332 3.718 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.300 -3.903 3.969 1.00 0.27 C ATOM 1334 C LYS A 90 -2.026 -3.147 2.676 1.00 0.24 C ATOM 1335 O LYS A 90 -2.460 -2.011 2.511 1.00 0.26 O ATOM 1336 CB LYS A 90 -1.267 -3.568 5.044 1.00 0.33 C ATOM 1337 CG LYS A 90 -1.742 -3.951 6.435 1.00 0.46 C ATOM 1338 CD LYS A 90 -3.249 -3.770 6.547 1.00 0.50 C ATOM 1339 CE LYS A 90 -3.750 -3.944 7.960 1.00 0.67 C ATOM 1340 NZ LYS A 90 -3.354 -2.812 8.840 1.00 1.26 N ATOM 0 H LYS A 90 -1.576 -5.870 4.078 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.270 -3.583 4.349 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.335 -4.088 4.824 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -1.050 -2.500 5.017 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -1.477 -4.987 6.645 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -1.239 -3.336 7.181 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.520 -2.777 6.189 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -3.747 -4.490 5.897 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -4.836 -4.032 7.950 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -3.359 -4.875 8.370 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -3.843 -2.895 9.754 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -2.326 -2.835 8.994 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -3.616 -1.913 8.388 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.321 -3.795 1.756 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.148 -3.262 0.413 1.00 0.22 C ATOM 1356 C ALA A 91 -2.500 -3.184 -0.283 1.00 0.19 C ATOM 1357 O ALA A 91 -2.849 -2.164 -0.872 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.173 -4.120 -0.386 1.00 0.22 C ATOM 0 H ALA A 91 -0.860 -4.691 1.917 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.728 -2.258 0.480 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.058 -3.704 -1.387 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.795 -4.133 0.115 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.558 -5.137 -0.458 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.267 -4.266 -0.180 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.627 -4.303 -0.702 1.00 0.16 C ATOM 1366 C TYR A 92 -5.472 -3.220 -0.075 1.00 0.16 C ATOM 1367 O TYR A 92 -6.251 -2.550 -0.752 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.281 -5.658 -0.434 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.902 -6.734 -1.414 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.148 -6.577 -2.769 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.303 -7.903 -0.986 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.804 -7.561 -3.673 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.955 -8.893 -1.878 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.208 -8.719 -3.223 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.865 -9.704 -4.121 1.00 0.24 O ATOM 0 H TYR A 92 -2.966 -5.134 0.264 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.565 -4.140 -1.778 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -5.011 -5.986 0.570 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.364 -5.535 -0.449 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.616 -5.670 -3.123 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.104 -8.043 0.066 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.001 -7.425 -4.726 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.487 -9.800 -1.527 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.454 -10.454 -3.643 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.315 -3.055 1.226 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.070 -2.066 1.954 1.00 0.21 C ATOM 1387 C ALA A 93 -5.724 -0.667 1.477 1.00 0.23 C ATOM 1388 O ALA A 93 -6.607 0.155 1.311 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.843 -2.202 3.448 1.00 0.25 C ATOM 0 H ALA A 93 -4.667 -3.598 1.797 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.129 -2.237 1.760 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.424 -1.445 3.975 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.158 -3.193 3.775 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.784 -2.066 3.669 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.442 -0.405 1.234 1.00 0.24 N ATOM 1396 CA ARG A 94 -4.023 0.896 0.717 1.00 0.27 C ATOM 1397 C ARG A 94 -4.587 1.123 -0.674 1.00 0.24 C ATOM 1398 O ARG A 94 -4.989 2.234 -1.010 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.502 1.025 0.666 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.831 0.956 2.021 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.354 1.293 1.919 1.00 0.53 C ATOM 1402 NE ARG A 94 0.365 0.932 3.142 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.536 1.742 4.187 1.00 0.69 C ATOM 1404 NH1 ARG A 94 0.058 2.979 4.163 1.00 1.50 N ATOM 1405 NH2 ARG A 94 1.188 1.310 5.261 1.00 0.88 N ATOM 0 H ARG A 94 -3.682 -1.068 1.385 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.411 1.650 1.402 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.102 0.233 0.033 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.244 1.972 0.192 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.318 1.649 2.707 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -1.951 -0.044 2.439 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.083 0.766 1.070 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.236 2.359 1.728 1.00 0.53 H new ATOM 0 HE ARG A 94 0.763 -0.005 3.199 1.00 0.72 H new ATOM 0 HH11 ARG A 94 -0.444 3.316 3.342 1.00 1.50 H new ATOM 0 HH12 ARG A 94 0.192 3.593 4.966 1.00 1.50 H new ATOM 0 HH21 ARG A 94 1.557 0.359 5.285 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.319 1.929 6.061 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.605 0.071 -1.483 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.220 0.138 -2.800 1.00 0.21 C ATOM 1421 C ILE A 95 -6.684 0.515 -2.660 1.00 0.20 C ATOM 1422 O ILE A 95 -7.163 1.460 -3.291 1.00 0.24 O ATOM 1423 CB ILE A 95 -5.114 -1.202 -3.553 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.656 -1.578 -3.762 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.824 -1.116 -4.890 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.463 -2.930 -4.409 1.00 0.22 C ATOM 0 H ILE A 95 -4.201 -0.836 -1.250 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.685 0.893 -3.376 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.593 -1.973 -2.950 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.179 -0.818 -4.381 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.146 -1.570 -2.798 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.739 -2.071 -5.409 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.876 -0.883 -4.729 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.367 -0.333 -5.495 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.398 -3.129 -4.526 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.909 -3.701 -3.781 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.943 -2.937 -5.388 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.378 -0.221 -1.803 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.763 0.069 -1.532 1.00 0.18 C ATOM 1440 C GLY A 96 -8.948 1.457 -0.958 1.00 0.20 C ATOM 1441 O GLY A 96 -9.886 2.157 -1.320 1.00 0.23 O ATOM 0 H GLY A 96 -7.000 -1.017 -1.290 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.340 -0.023 -2.452 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.158 -0.668 -0.833 1.00 0.18 H new ATOM 1445 N ASN A 97 -8.041 1.861 -0.073 1.00 0.20 N ATOM 1446 CA ASN A 97 -8.108 3.178 0.544 1.00 0.25 C ATOM 1447 C ASN A 97 -7.926 4.264 -0.499 1.00 0.25 C ATOM 1448 O ASN A 97 -8.570 5.302 -0.436 1.00 0.27 O ATOM 1449 CB ASN A 97 -7.051 3.364 1.640 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.267 2.515 2.879 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -6.316 2.209 3.598 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -8.502 2.121 3.144 1.00 1.64 N ATOM 0 H ASN A 97 -7.251 1.293 0.232 1.00 0.20 H new ATOM 0 HA ASN A 97 -9.094 3.256 1.002 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -6.071 3.132 1.224 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -7.033 4.413 1.934 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -8.689 1.546 3.965 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -9.267 2.393 2.527 1.00 1.64 H new ATOM 1459 N SER A 98 -7.040 4.021 -1.449 1.00 0.26 N ATOM 1460 CA SER A 98 -6.793 4.964 -2.529 1.00 0.29 C ATOM 1461 C SER A 98 -8.077 5.214 -3.309 1.00 0.29 C ATOM 1462 O SER A 98 -8.468 6.360 -3.539 1.00 0.32 O ATOM 1463 CB SER A 98 -5.707 4.410 -3.442 1.00 0.32 C ATOM 1464 OG SER A 98 -4.509 4.190 -2.721 1.00 0.94 O ATOM 0 H SER A 98 -6.475 3.173 -1.495 1.00 0.26 H new ATOM 0 HA SER A 98 -6.457 5.915 -2.115 1.00 0.29 H new ATOM 0 HB2 SER A 98 -6.044 3.475 -3.890 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.522 5.107 -4.259 1.00 0.32 H new ATOM 0 HG SER A 98 -4.712 3.721 -1.885 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.739 4.126 -3.681 1.00 0.28 N ATOM 1471 CA TYR A 99 -10.041 4.193 -4.327 1.00 0.29 C ATOM 1472 C TYR A 99 -11.054 4.864 -3.401 1.00 0.28 C ATOM 1473 O TYR A 99 -11.843 5.703 -3.823 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.512 2.784 -4.676 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.734 2.131 -5.794 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.667 2.722 -7.044 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -9.097 0.914 -5.609 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.987 2.122 -8.082 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -8.406 0.310 -6.641 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.356 0.917 -7.877 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.689 0.305 -8.914 1.00 0.43 O ATOM 0 H TYR A 99 -8.390 3.177 -3.544 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.956 4.782 -5.240 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.442 2.159 -3.786 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.565 2.824 -4.956 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.156 3.670 -7.209 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -9.142 0.431 -4.644 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.950 2.596 -9.052 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.907 -0.634 -6.480 1.00 0.32 H new ATOM 0 HH TYR A 99 -8.274 -0.361 -9.332 1.00 0.43 H new ATOM 1491 N PHE A 100 -11.003 4.482 -2.136 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.871 5.023 -1.094 1.00 0.27 C ATOM 1493 C PHE A 100 -11.752 6.546 -1.020 1.00 0.32 C ATOM 1494 O PHE A 100 -12.754 7.255 -0.919 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.467 4.375 0.233 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.322 4.699 1.427 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.617 4.213 1.525 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.849 5.535 2.420 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.416 4.548 2.602 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.645 5.882 3.493 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.870 5.208 3.678 1.00 0.37 C ATOM 0 H PHE A 100 -10.349 3.777 -1.795 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.914 4.798 -1.318 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.466 3.293 0.098 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.442 4.669 0.458 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -14.005 3.566 0.752 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.843 5.922 2.356 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.465 4.292 2.599 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.335 6.656 4.179 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.365 5.210 4.638 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.523 7.043 -1.095 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.277 8.476 -1.050 1.00 0.38 C ATOM 1513 C LYS A 101 -10.725 9.142 -2.346 1.00 0.41 C ATOM 1514 O LYS A 101 -11.139 10.302 -2.345 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.789 8.783 -0.835 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.162 8.106 0.372 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.869 8.462 1.672 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.685 9.929 2.023 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.389 10.294 3.280 1.00 0.74 N ATOM 0 H LYS A 101 -9.682 6.473 -1.187 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.851 8.870 -0.211 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.239 8.484 -1.727 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.667 9.861 -0.732 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.187 7.025 0.232 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.113 8.394 0.442 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -9.932 8.239 1.582 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.481 7.842 2.480 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.622 10.146 2.127 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -9.058 10.547 1.206 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.237 11.303 3.482 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.407 10.111 3.173 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -9.016 9.724 4.065 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.649 8.401 -3.446 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.907 8.965 -4.762 1.00 0.40 C ATOM 1535 C GLU A 102 -12.370 8.753 -5.180 1.00 0.39 C ATOM 1536 O GLU A 102 -12.761 9.073 -6.309 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.930 8.363 -5.775 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.487 7.212 -6.586 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.571 6.818 -7.724 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.477 7.570 -8.709 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.937 5.743 -7.629 1.00 0.45 O ATOM 0 H GLU A 102 -10.411 7.409 -3.451 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.747 10.043 -4.728 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.607 9.148 -6.459 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -9.043 8.019 -5.243 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.644 6.353 -5.934 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.462 7.490 -6.986 1.00 0.38 H new ATOM 1548 N GLU A 103 -13.163 8.206 -4.247 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.604 7.979 -4.431 1.00 0.35 C ATOM 1550 C GLU A 103 -14.866 6.765 -5.341 1.00 0.35 C ATOM 1551 O GLU A 103 -15.997 6.506 -5.757 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.288 9.244 -4.980 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.805 9.245 -4.857 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.445 10.421 -5.567 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.438 11.535 -5.003 1.00 1.31 O ATOM 1556 OE2 GLU A 103 -17.957 10.240 -6.693 1.00 1.47 O ATOM 0 H GLU A 103 -12.819 7.906 -3.335 1.00 0.36 H new ATOM 0 HA GLU A 103 -15.037 7.756 -3.456 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.893 10.113 -4.454 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -15.021 9.359 -6.031 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -17.200 8.317 -5.270 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -17.081 9.268 -3.803 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.814 6.002 -5.606 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.892 4.813 -6.431 1.00 0.31 C ATOM 1565 C LYS A 104 -14.202 3.590 -5.565 1.00 0.28 C ATOM 1566 O LYS A 104 -13.477 2.596 -5.584 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.559 4.633 -7.148 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.687 3.940 -8.474 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.569 4.328 -9.427 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.742 3.668 -10.783 1.00 1.11 C ATOM 1571 NZ LYS A 104 -13.025 4.054 -11.423 1.00 1.89 N ATOM 0 H LYS A 104 -12.878 6.196 -5.250 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.692 4.920 -7.164 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -12.101 5.610 -7.299 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -11.886 4.061 -6.510 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -12.676 2.861 -8.322 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -13.649 4.189 -8.922 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -11.551 5.411 -9.548 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -10.609 4.039 -9.000 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -10.913 3.948 -11.432 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -11.704 2.585 -10.668 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -12.994 3.816 -12.435 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -13.807 3.540 -10.970 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -13.174 5.077 -11.313 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.295 3.672 -4.819 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.621 2.671 -3.803 1.00 0.25 C ATOM 1587 C TYR A 105 -15.851 1.284 -4.391 1.00 0.26 C ATOM 1588 O TYR A 105 -15.583 0.287 -3.724 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.836 3.108 -2.988 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.649 4.465 -2.358 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.775 4.648 -1.297 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.373 5.557 -2.810 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.630 5.888 -0.706 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -17.237 6.794 -2.226 1.00 0.39 C ATOM 1595 CZ TYR A 105 -16.242 6.965 -1.226 1.00 0.38 C ATOM 1596 OH TYR A 105 -16.234 8.193 -0.585 1.00 0.46 O ATOM 0 H TYR A 105 -15.978 4.426 -4.897 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.753 2.599 -3.148 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.714 3.128 -3.633 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -17.030 2.372 -2.208 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.201 3.811 -0.928 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -18.057 5.434 -3.637 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -15.021 5.992 0.180 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.872 7.617 -2.520 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.731 8.845 -1.122 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.330 1.213 -5.629 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.535 -0.077 -6.290 1.00 0.35 C ATOM 1608 C LYS A 106 -15.231 -0.869 -6.310 1.00 0.31 C ATOM 1609 O LYS A 106 -15.196 -2.059 -5.985 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.037 0.120 -7.723 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.420 0.742 -7.811 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.858 0.929 -9.254 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.208 1.622 -9.342 1.00 0.94 C ATOM 1614 NZ LYS A 106 -21.295 0.824 -8.717 1.00 1.57 N ATOM 0 H LYS A 106 -16.582 2.024 -6.193 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.287 -0.631 -5.729 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.330 0.752 -8.261 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.051 -0.846 -8.229 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.138 0.108 -7.291 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.419 1.706 -7.302 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -18.111 1.516 -9.789 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -18.913 -0.042 -9.747 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -20.147 2.594 -8.853 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -20.452 1.806 -10.388 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -22.210 1.287 -8.891 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -21.307 -0.130 -9.130 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.130 0.756 -7.692 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.157 -0.181 -6.658 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.845 -0.798 -6.736 1.00 0.29 C ATOM 1630 C ASP A 107 -12.206 -0.873 -5.355 1.00 0.23 C ATOM 1631 O ASP A 107 -11.369 -1.739 -5.094 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.959 -0.018 -7.706 1.00 0.33 C ATOM 1633 CG ASP A 107 -11.609 -0.825 -8.941 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -12.488 -1.028 -9.803 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -10.443 -1.256 -9.061 1.00 0.67 O ATOM 0 H ASP A 107 -14.169 0.812 -6.892 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.955 -1.816 -7.110 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -12.470 0.897 -8.005 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -11.042 0.280 -7.198 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.622 0.029 -4.469 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.142 0.036 -3.092 1.00 0.18 C ATOM 1642 C ALA A 108 -12.513 -1.270 -2.402 1.00 0.16 C ATOM 1643 O ALA A 108 -11.645 -1.997 -1.922 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.709 1.230 -2.321 1.00 0.18 C ATOM 0 H ALA A 108 -13.293 0.767 -4.683 1.00 0.22 H new ATOM 0 HA ALA A 108 -11.056 0.130 -3.107 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.336 1.212 -1.297 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.398 2.156 -2.804 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.797 1.173 -2.312 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.809 -1.566 -2.390 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.336 -2.781 -1.778 1.00 0.18 C ATOM 1652 C ILE A 109 -13.713 -4.031 -2.394 1.00 0.19 C ATOM 1653 O ILE A 109 -13.454 -5.011 -1.692 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.874 -2.824 -1.923 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.489 -1.668 -1.141 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.437 -4.145 -1.430 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.642 -0.994 -1.843 1.00 0.51 C ATOM 0 H ILE A 109 -14.524 -0.969 -2.805 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.075 -2.765 -0.720 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.125 -2.728 -2.979 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.832 -2.039 -0.175 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.716 -0.926 -0.941 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.521 -4.144 -1.545 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -16.011 -4.962 -2.012 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.184 -4.278 -0.378 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -18.023 -0.184 -1.221 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.302 -0.591 -2.797 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.436 -1.720 -2.019 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.456 -3.984 -3.700 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.819 -5.103 -4.389 1.00 0.23 C ATOM 1671 C HIS A 110 -11.503 -5.480 -3.714 1.00 0.20 C ATOM 1672 O HIS A 110 -11.322 -6.614 -3.273 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.551 -4.760 -5.857 1.00 0.27 C ATOM 1674 CG HIS A 110 -11.982 -5.908 -6.635 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.759 -6.854 -7.261 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.695 -6.268 -6.873 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -11.978 -7.742 -7.845 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.723 -7.408 -7.631 1.00 0.40 N ATOM 0 H HIS A 110 -13.678 -3.188 -4.298 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.504 -5.950 -4.338 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.482 -4.438 -6.324 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.861 -3.918 -5.907 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.779 -6.867 -7.272 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.812 -5.751 -6.528 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.313 -8.602 -8.406 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.590 -4.524 -3.633 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.271 -4.782 -3.077 1.00 0.17 C ATOM 1689 C PHE A 111 -9.321 -4.858 -1.556 1.00 0.16 C ATOM 1690 O PHE A 111 -8.431 -5.432 -0.931 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.275 -3.729 -3.553 1.00 0.17 C ATOM 1692 CG PHE A 111 -7.970 -3.844 -5.021 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.054 -4.773 -5.483 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.601 -3.019 -5.939 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.772 -4.878 -6.832 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.323 -3.119 -7.289 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.406 -4.062 -7.734 1.00 0.32 C ATOM 0 H PHE A 111 -10.738 -3.564 -3.945 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.931 -5.753 -3.438 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.674 -2.736 -3.345 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.350 -3.826 -2.985 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.554 -5.424 -4.781 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.319 -2.289 -5.595 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.051 -5.604 -7.177 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -8.817 -2.467 -7.994 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.192 -4.153 -8.789 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.364 -4.290 -0.961 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.609 -4.484 0.460 1.00 0.17 C ATOM 1709 C TYR A 112 -10.833 -5.962 0.747 1.00 0.20 C ATOM 1710 O TYR A 112 -10.145 -6.551 1.571 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.823 -3.684 0.940 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.573 -2.207 1.154 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.311 -1.754 1.513 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.580 -1.262 0.971 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -10.057 -0.415 1.689 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.329 0.082 1.142 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.162 0.502 1.593 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.815 1.839 1.664 1.00 0.32 O ATOM 0 H TYR A 112 -11.046 -3.698 -1.436 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.732 -4.126 0.999 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.626 -3.799 0.212 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.177 -4.116 1.876 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.513 -2.468 1.657 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.571 -1.587 0.691 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -9.057 -0.061 1.893 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.098 0.802 0.904 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.594 2.365 1.941 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.792 -6.556 0.045 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.083 -7.980 0.173 1.00 0.28 C ATOM 1730 C ASN A 113 -10.847 -8.819 -0.152 1.00 0.27 C ATOM 1731 O ASN A 113 -10.654 -9.900 0.399 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.234 -8.352 -0.760 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.677 -9.788 -0.594 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.215 -10.685 -1.297 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.576 -10.011 0.346 1.00 1.23 N ATOM 0 H ASN A 113 -12.386 -6.068 -0.625 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.371 -8.188 1.204 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.079 -7.691 -0.570 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -12.927 -8.188 -1.793 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -14.915 -10.958 0.513 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -14.932 -9.236 0.906 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.015 -8.304 -1.046 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.739 -8.931 -1.374 1.00 0.24 C ATOM 1744 C LYS A 114 -7.799 -8.922 -0.168 1.00 0.21 C ATOM 1745 O LYS A 114 -6.977 -9.820 0.002 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.086 -8.192 -2.525 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.787 -8.359 -3.857 1.00 0.34 C ATOM 1748 CD LYS A 114 -7.938 -9.198 -4.773 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.354 -9.072 -6.218 1.00 0.48 C ATOM 1750 NZ LYS A 114 -7.494 -9.893 -7.114 1.00 1.25 N ATOM 0 H LYS A 114 -10.202 -7.445 -1.563 1.00 0.25 H new ATOM 0 HA LYS A 114 -8.931 -9.966 -1.659 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.044 -7.130 -2.281 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.057 -8.537 -2.625 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.759 -8.831 -3.711 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -8.971 -7.384 -4.307 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -6.894 -8.900 -4.671 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.003 -10.243 -4.469 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.393 -9.384 -6.326 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.302 -8.026 -6.522 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -7.811 -9.780 -8.098 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -6.506 -9.579 -7.030 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -7.564 -10.894 -6.840 1.00 1.25 H new ATOM 1764 N SER A 115 -7.915 -7.895 0.662 1.00 0.20 N ATOM 1765 CA SER A 115 -7.151 -7.827 1.895 1.00 0.21 C ATOM 1766 C SER A 115 -7.693 -8.854 2.878 1.00 0.25 C ATOM 1767 O SER A 115 -6.931 -9.566 3.530 1.00 0.28 O ATOM 1768 CB SER A 115 -7.223 -6.425 2.497 1.00 0.23 C ATOM 1769 OG SER A 115 -6.441 -6.324 3.669 1.00 1.04 O ATOM 0 H SER A 115 -8.532 -7.098 0.502 1.00 0.20 H new ATOM 0 HA SER A 115 -6.105 -8.047 1.680 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.878 -5.695 1.764 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.260 -6.180 2.728 1.00 0.23 H new ATOM 0 HG SER A 115 -5.794 -5.595 3.569 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.023 -8.942 2.956 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.680 -9.979 3.748 1.00 0.31 C ATOM 1777 C LEU A 116 -9.266 -11.357 3.232 1.00 0.33 C ATOM 1778 O LEU A 116 -9.272 -12.343 3.970 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.216 -9.850 3.688 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.861 -8.746 4.548 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.234 -8.691 5.923 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.776 -7.388 3.879 1.00 0.35 C ATOM 0 H LEU A 116 -9.664 -8.307 2.480 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.369 -9.857 4.786 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.501 -9.680 2.650 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.648 -10.806 3.985 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.915 -9.002 4.655 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.708 -7.903 6.508 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.372 -9.649 6.425 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.168 -8.481 5.829 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.242 -6.638 4.518 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.730 -7.127 3.717 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.295 -7.421 2.921 1.00 0.35 H new ATOM 1794 N ALA A 117 -8.898 -11.397 1.956 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.500 -12.624 1.287 1.00 0.33 C ATOM 1796 C ALA A 117 -7.132 -13.107 1.767 1.00 0.33 C ATOM 1797 O ALA A 117 -6.887 -14.313 1.849 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.495 -12.404 -0.223 1.00 0.32 C ATOM 0 H ALA A 117 -8.868 -10.573 1.356 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.222 -13.402 1.536 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.196 -13.325 -0.724 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.494 -12.119 -0.553 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.791 -11.610 -0.473 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.245 -12.168 2.088 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.899 -12.517 2.531 1.00 0.30 C ATOM 1806 C GLU A 118 -4.770 -12.454 4.048 1.00 0.32 C ATOM 1807 O GLU A 118 -4.338 -13.416 4.682 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.871 -11.587 1.888 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.706 -11.795 0.394 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.279 -13.205 0.047 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.140 -13.585 0.382 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.077 -13.944 -0.568 1.00 0.53 O ATOM 0 H GLU A 118 -6.433 -11.166 2.050 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.709 -13.544 2.218 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.165 -10.554 2.071 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.907 -11.735 2.375 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.648 -11.571 -0.107 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -2.967 -11.091 0.012 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.179 -11.342 4.633 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.044 -11.136 6.068 1.00 0.36 C ATOM 1821 C HIS A 119 -6.284 -10.429 6.601 1.00 0.37 C ATOM 1822 O HIS A 119 -6.402 -9.205 6.527 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.752 -10.344 6.360 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.555 -9.889 7.780 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.694 -8.866 8.130 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.065 -10.348 8.937 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.682 -8.735 9.443 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.506 -9.623 9.958 1.00 0.50 N ATOM 0 H HIS A 119 -5.610 -10.563 4.135 1.00 0.32 H new ATOM 0 HA HIS A 119 -4.964 -12.095 6.580 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.900 -10.963 6.078 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.736 -9.466 5.714 1.00 0.35 H new ATOM 0 HD2 HIS A 119 -4.786 -11.145 9.043 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.095 -8.020 10.001 1.00 0.48 H new ATOM 0 HE2 HIS A 119 -3.697 -9.751 10.952 1.00 0.50 H new ATOM 1837 N ARG A 120 -7.198 -11.226 7.140 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.471 -10.729 7.641 1.00 0.43 C ATOM 1839 C ARG A 120 -8.261 -9.772 8.806 1.00 0.46 C ATOM 1840 O ARG A 120 -7.925 -10.186 9.917 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.358 -11.903 8.066 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.709 -11.479 8.619 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.592 -12.678 8.920 1.00 0.62 C ATOM 1844 NE ARG A 120 -11.022 -13.547 9.950 1.00 1.38 N ATOM 1845 CZ ARG A 120 -11.705 -14.515 10.561 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -12.976 -14.737 10.243 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -11.119 -15.264 11.485 1.00 2.87 N ATOM 0 H ARG A 120 -7.077 -12.234 7.242 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.967 -10.180 6.841 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.515 -12.557 7.208 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.834 -12.488 8.821 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.564 -10.896 9.529 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.209 -10.829 7.901 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -12.573 -12.331 9.244 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -11.743 -13.253 8.006 1.00 0.62 H new ATOM 0 HE ARG A 120 -10.048 -13.404 10.215 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -13.431 -14.166 9.530 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -13.497 -15.478 10.712 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -10.143 -15.100 11.730 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -11.645 -16.004 11.951 1.00 2.87 H new ATOM 1861 N THR A 121 -8.452 -8.493 8.540 1.00 0.45 N ATOM 1862 CA THR A 121 -8.273 -7.471 9.549 1.00 0.50 C ATOM 1863 C THR A 121 -9.497 -6.578 9.648 1.00 0.49 C ATOM 1864 O THR A 121 -10.074 -6.154 8.641 1.00 0.47 O ATOM 1865 CB THR A 121 -7.027 -6.621 9.258 1.00 0.53 C ATOM 1866 OG1 THR A 121 -7.005 -6.224 7.882 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.764 -7.387 9.584 1.00 0.62 C ATOM 0 H THR A 121 -8.733 -8.138 7.626 1.00 0.45 H new ATOM 0 HA THR A 121 -8.135 -7.977 10.504 1.00 0.50 H new ATOM 0 HB THR A 121 -7.071 -5.733 9.889 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.207 -5.682 7.711 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.895 -6.764 9.370 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.765 -7.658 10.640 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.720 -8.292 8.978 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.913 -6.324 10.896 1.00 0.56 N ATOM 1876 CA PRO A 122 -11.084 -5.511 11.244 1.00 0.56 C ATOM 1877 C PRO A 122 -11.136 -4.158 10.541 1.00 0.51 C ATOM 1878 O PRO A 122 -12.220 -3.670 10.232 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.936 -5.303 12.760 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.551 -5.755 13.072 1.00 0.76 C ATOM 1881 CD PRO A 122 -9.268 -6.841 12.106 1.00 0.69 C ATOM 0 HA PRO A 122 -12.002 -6.011 10.936 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -11.082 -4.258 13.032 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.675 -5.882 13.313 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.837 -4.938 12.966 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -9.476 -6.112 14.099 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -8.199 -6.999 11.966 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -9.692 -7.794 12.423 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.976 -3.554 10.297 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.926 -2.227 9.684 1.00 0.48 C ATOM 1891 C ASP A 123 -10.352 -2.267 8.228 1.00 0.40 C ATOM 1892 O ASP A 123 -11.142 -1.433 7.794 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.534 -1.618 9.804 1.00 0.55 C ATOM 1894 CG ASP A 123 -8.426 -0.272 9.111 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -8.890 0.741 9.683 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.863 -0.212 8.000 1.00 2.06 O ATOM 0 H ASP A 123 -9.064 -3.957 10.512 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.631 -1.598 10.228 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -8.282 -1.502 10.858 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.803 -2.303 9.375 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.855 -3.235 7.471 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.238 -3.334 6.071 1.00 0.29 C ATOM 1903 C VAL A 124 -11.677 -3.800 5.965 1.00 0.28 C ATOM 1904 O VAL A 124 -12.395 -3.416 5.052 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.362 -4.295 5.258 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.606 -4.085 3.776 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.888 -4.133 5.580 1.00 0.31 C ATOM 0 H VAL A 124 -9.200 -3.948 7.793 1.00 0.35 H new ATOM 0 HA VAL A 124 -10.106 -2.336 5.653 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.641 -5.312 5.532 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.981 -4.770 3.204 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.655 -4.275 3.549 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.358 -3.058 3.508 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.306 -4.833 4.981 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.576 -3.114 5.352 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.722 -4.335 6.638 1.00 0.31 H new ATOM 1917 N LEU A 125 -12.089 -4.640 6.904 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.475 -5.074 6.984 1.00 0.38 C ATOM 1919 C LEU A 125 -14.360 -3.859 7.235 1.00 0.38 C ATOM 1920 O LEU A 125 -15.377 -3.659 6.568 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.624 -6.113 8.099 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.953 -6.871 8.137 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.764 -8.210 8.825 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -16.019 -6.067 8.865 1.00 0.54 C ATOM 0 H LEU A 125 -11.481 -5.035 7.622 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.782 -5.540 6.048 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.817 -6.839 8.002 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.487 -5.611 9.057 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.283 -7.031 7.111 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.714 -8.744 8.849 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -14.029 -8.800 8.277 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.413 -8.049 9.844 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.953 -6.629 8.877 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.696 -5.877 9.889 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.173 -5.118 8.351 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.934 -3.044 8.192 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.577 -1.773 8.493 1.00 0.42 C ATOM 1938 C LYS A 126 -14.636 -0.896 7.248 1.00 0.39 C ATOM 1939 O LYS A 126 -15.683 -0.352 6.904 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.797 -1.072 9.606 1.00 0.48 C ATOM 1941 CG LYS A 126 -14.154 0.388 9.809 1.00 0.58 C ATOM 1942 CD LYS A 126 -13.435 0.953 11.020 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.783 2.412 11.257 1.00 1.37 C ATOM 1944 NZ LYS A 126 -13.096 2.949 12.459 1.00 2.04 N ATOM 0 H LYS A 126 -13.129 -3.248 8.784 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.600 -1.953 8.824 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.966 -1.606 10.541 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.732 -1.144 9.385 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.885 0.960 8.921 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -15.231 0.489 9.940 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -13.697 0.370 11.903 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -12.358 0.855 10.881 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -13.502 3.000 10.383 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -14.861 2.515 11.377 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -13.356 3.947 12.591 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -13.383 2.403 13.296 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -12.066 2.874 12.333 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.500 -0.778 6.578 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.398 0.002 5.355 1.00 0.31 C ATOM 1960 C LYS A 127 -14.284 -0.554 4.257 1.00 0.27 C ATOM 1961 O LYS A 127 -14.897 0.197 3.503 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.963 0.022 4.862 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.241 1.311 5.186 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.054 1.507 6.679 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.354 2.823 6.958 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.788 2.874 8.331 1.00 1.48 N ATOM 0 H LYS A 127 -12.626 -1.219 6.866 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.729 1.013 5.591 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.421 -0.813 5.307 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.954 -0.131 3.783 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.267 1.312 4.697 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.803 2.152 4.779 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.023 1.491 7.178 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.470 0.683 7.090 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -9.555 2.970 6.231 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.059 3.644 6.826 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -8.816 3.243 8.292 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -10.372 3.498 8.924 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -9.779 1.917 8.739 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.330 -1.869 4.165 1.00 0.27 N ATOM 1981 CA CYS A 128 -15.086 -2.532 3.127 1.00 0.26 C ATOM 1982 C CYS A 128 -16.567 -2.232 3.291 1.00 0.29 C ATOM 1983 O CYS A 128 -17.247 -1.862 2.334 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.830 -4.044 3.164 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.667 -4.973 1.862 1.00 0.91 S ATOM 0 H CYS A 128 -13.848 -2.501 4.804 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.762 -2.156 2.157 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.757 -4.221 3.088 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.149 -4.431 4.132 1.00 0.26 H new ATOM 0 HG CYS A 128 -15.385 -6.236 1.980 1.00 0.91 H new ATOM 1991 N GLN A 129 -17.056 -2.371 4.518 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.438 -2.042 4.822 1.00 0.36 C ATOM 1993 C GLN A 129 -18.671 -0.547 4.656 1.00 0.32 C ATOM 1994 O GLN A 129 -19.706 -0.128 4.137 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.801 -2.468 6.242 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.744 -3.971 6.460 1.00 0.50 C ATOM 1997 CD GLN A 129 -19.049 -4.369 7.894 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -19.588 -5.447 8.150 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -18.707 -3.508 8.839 1.00 1.10 N ATOM 0 H GLN A 129 -16.515 -2.709 5.314 1.00 0.32 H new ATOM 0 HA GLN A 129 -19.076 -2.585 4.125 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -18.122 -1.982 6.943 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.806 -2.114 6.473 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.456 -4.458 5.793 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.753 -4.336 6.189 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -18.262 -2.625 8.588 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -18.888 -3.727 9.819 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.688 0.246 5.087 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.771 1.700 5.002 1.00 0.30 C ATOM 2010 C GLN A 130 -17.951 2.143 3.557 1.00 0.26 C ATOM 2011 O GLN A 130 -18.913 2.827 3.227 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.509 2.358 5.573 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.677 3.845 5.835 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.751 4.148 6.867 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -18.405 5.188 6.806 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -17.929 3.254 7.829 1.00 1.65 N ATOM 0 H GLN A 130 -16.822 -0.100 5.500 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.634 2.013 5.590 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.236 1.860 6.503 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.683 2.209 4.878 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.727 4.258 6.175 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.927 4.347 4.900 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -17.367 2.403 7.845 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -18.629 3.417 8.553 1.00 1.65 H new ATOM 2025 N ALA A 131 -17.027 1.734 2.699 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.061 2.124 1.297 1.00 0.21 C ATOM 2027 C ALA A 131 -18.323 1.626 0.622 1.00 0.23 C ATOM 2028 O ALA A 131 -18.857 2.280 -0.268 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.840 1.597 0.568 1.00 0.20 C ATOM 0 H ALA A 131 -16.243 1.131 2.950 1.00 0.23 H new ATOM 0 HA ALA A 131 -17.056 3.213 1.254 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.883 1.898 -0.479 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.939 2.004 1.026 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.820 0.509 0.632 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.795 0.470 1.057 1.00 0.26 N ATOM 2036 CA GLU A 132 -19.988 -0.123 0.488 1.00 0.35 C ATOM 2037 C GLU A 132 -21.214 0.723 0.812 1.00 0.35 C ATOM 2038 O GLU A 132 -21.986 1.071 -0.079 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.163 -1.540 1.013 1.00 0.48 C ATOM 2040 CG GLU A 132 -21.200 -2.344 0.265 1.00 1.02 C ATOM 2041 CD GLU A 132 -21.533 -3.638 0.966 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -22.302 -3.603 1.949 1.00 1.41 O ATOM 2043 OE2 GLU A 132 -21.016 -4.694 0.555 1.00 2.04 O ATOM 0 H GLU A 132 -18.367 -0.076 1.805 1.00 0.26 H new ATOM 0 HA GLU A 132 -19.879 -0.160 -0.596 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -19.206 -2.059 0.958 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -20.441 -1.496 2.066 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -22.107 -1.750 0.153 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.835 -2.560 -0.739 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.377 1.072 2.085 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.516 1.875 2.512 1.00 0.36 C ATOM 2052 C LYS A 133 -22.409 3.296 1.959 1.00 0.37 C ATOM 2053 O LYS A 133 -23.412 3.894 1.561 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.642 1.877 4.044 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.408 2.380 4.779 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.473 2.073 6.268 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.681 2.721 6.929 1.00 1.04 C ATOM 2058 NZ LYS A 133 -22.772 2.380 8.371 1.00 1.90 N ATOM 0 H LYS A 133 -20.737 0.812 2.835 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.424 1.427 2.109 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.494 2.496 4.325 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.861 0.863 4.379 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.517 1.919 4.351 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.312 3.456 4.634 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.514 0.994 6.415 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.562 2.426 6.751 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.620 3.803 6.815 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -23.590 2.398 6.421 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -23.608 2.841 8.785 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -22.856 1.349 8.479 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -21.916 2.711 8.861 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.186 3.817 1.915 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.918 5.115 1.304 1.00 0.34 C ATOM 2074 C ILE A 134 -21.320 5.105 -0.164 1.00 0.39 C ATOM 2075 O ILE A 134 -22.011 6.006 -0.637 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.422 5.491 1.409 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -19.033 5.800 2.845 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -19.094 6.676 0.538 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.563 6.130 3.013 1.00 0.33 C ATOM 0 H ILE A 134 -20.360 3.357 2.298 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.507 5.855 1.846 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.852 4.629 1.064 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.629 6.639 3.203 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.280 4.944 3.473 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -18.035 6.916 0.634 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.320 6.437 -0.501 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.690 7.533 0.851 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.355 6.340 4.062 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.960 5.283 2.686 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.315 7.005 2.412 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.889 4.069 -0.873 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.152 3.945 -2.298 1.00 0.48 C ATOM 2093 C LEU A 135 -22.650 3.909 -2.576 1.00 0.58 C ATOM 2094 O LEU A 135 -23.116 4.493 -3.550 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.478 2.691 -2.854 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.615 2.488 -4.363 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.951 3.619 -5.137 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.030 1.145 -4.764 1.00 1.37 C ATOM 0 H LEU A 135 -20.351 3.297 -0.478 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.736 4.820 -2.798 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.418 2.728 -2.604 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -20.895 1.820 -2.348 1.00 0.51 H new ATOM 0 HG LEU A 135 -21.676 2.498 -4.613 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -20.066 3.445 -6.207 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -20.420 4.566 -4.871 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -18.891 3.657 -4.888 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.133 1.010 -5.841 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -18.975 1.112 -4.493 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -20.562 0.347 -4.246 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.400 3.245 -1.701 1.00 0.58 N ATOM 2111 CA LYS A 136 -24.853 3.175 -1.837 1.00 0.72 C ATOM 2112 C LYS A 136 -25.466 4.573 -1.816 1.00 0.77 C ATOM 2113 O LYS A 136 -26.464 4.837 -2.485 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.466 2.336 -0.717 1.00 0.79 C ATOM 2115 CG LYS A 136 -24.932 0.916 -0.635 1.00 1.26 C ATOM 2116 CD LYS A 136 -25.571 0.156 0.516 1.00 1.73 C ATOM 2117 CE LYS A 136 -24.932 -1.207 0.722 1.00 2.54 C ATOM 2118 NZ LYS A 136 -25.613 -1.979 1.796 1.00 3.36 N ATOM 0 H LYS A 136 -23.027 2.748 -0.892 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.072 2.702 -2.795 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -25.286 2.835 0.235 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -26.546 2.298 -0.857 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -25.129 0.396 -1.572 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -23.850 0.938 -0.504 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -25.481 0.741 1.431 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -26.636 0.031 0.321 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -24.969 -1.771 -0.210 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -23.880 -1.081 0.976 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -25.149 -2.903 1.907 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -25.556 -1.453 2.691 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -26.611 -2.122 1.541 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.861 5.462 -1.040 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.319 6.842 -0.956 1.00 0.82 C ATOM 2134 C GLU A 137 -24.883 7.627 -2.184 1.00 0.87 C ATOM 2135 O GLU A 137 -25.540 8.584 -2.594 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.755 7.515 0.289 1.00 0.82 C ATOM 2137 CG GLU A 137 -25.119 6.809 1.575 1.00 1.02 C ATOM 2138 CD GLU A 137 -24.440 7.423 2.777 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -23.239 7.159 2.986 1.00 2.28 O ATOM 2140 OE2 GLU A 137 -25.106 8.173 3.521 1.00 2.01 O ATOM 0 H GLU A 137 -24.050 5.251 -0.458 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.408 6.831 -0.903 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.669 7.564 0.206 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -25.118 8.542 0.333 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -26.200 6.844 1.713 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.841 5.758 1.501 1.00 1.02 H new ATOM 2147 N GLN A 138 -23.766 7.211 -2.762 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.167 7.916 -3.883 1.00 0.89 C ATOM 2149 C GLN A 138 -23.924 7.643 -5.177 1.00 1.04 C ATOM 2150 O GLN A 138 -23.879 8.440 -6.116 1.00 1.19 O ATOM 2151 CB GLN A 138 -21.702 7.512 -4.021 1.00 0.87 C ATOM 2152 CG GLN A 138 -20.883 7.896 -2.805 1.00 0.80 C ATOM 2153 CD GLN A 138 -20.718 9.395 -2.665 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -20.644 10.118 -3.658 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -20.688 9.876 -1.433 1.00 1.60 N ATOM 0 H GLN A 138 -23.253 6.380 -2.469 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.226 8.987 -3.689 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -21.637 6.435 -4.175 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -21.278 7.986 -4.906 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.362 7.502 -1.909 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -19.900 7.430 -2.872 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -20.752 9.242 -0.636 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -20.601 10.881 -1.280 1.00 1.60 H new ATOM 2164 N GLU A 139 -24.620 6.519 -5.219 1.00 1.14 N ATOM 2165 CA GLU A 139 -25.423 6.163 -6.374 1.00 1.35 C ATOM 2166 C GLU A 139 -26.774 5.604 -5.941 1.00 1.86 C ATOM 2167 O GLU A 139 -26.933 4.366 -5.890 1.00 2.30 O ATOM 2168 CB GLU A 139 -24.670 5.166 -7.258 1.00 1.47 C ATOM 2169 CG GLU A 139 -23.927 4.089 -6.483 1.00 1.46 C ATOM 2170 CD GLU A 139 -23.182 3.140 -7.391 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -22.189 3.563 -8.017 1.00 2.99 O ATOM 2172 OE2 GLU A 139 -23.589 1.965 -7.500 1.00 1.94 O ATOM 2173 OXT GLU A 139 -27.676 6.413 -5.641 1.00 2.51 O ATOM 0 H GLU A 139 -24.644 5.836 -4.462 1.00 1.14 H new ATOM 0 HA GLU A 139 -25.609 7.063 -6.959 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -25.379 4.688 -7.934 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -23.957 5.711 -7.877 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -23.223 4.559 -5.796 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -24.637 3.526 -5.876 1.00 1.46 H new TER 2180 GLU A 139