USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 773 hydrogens (7 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 114 SER OG : rot 180:sc= 0.114 USER MOD Set 1.2: A 117 SER OG : rot 180:sc= -1.65! USER MOD Set 2.1: A 89 ASN : amide:sc= -0.0123 X(o=-0.61,f=-0.99) USER MOD Set 2.2: A 108 HIS : no HD1:sc= -0.598 K(o=-0.61,f=0.048) USER MOD Set 3.1: A 85 SER OG : rot 168:sc= 0.358 USER MOD Set 3.2: A 87 ASN : amide:sc= -1.12! K(o=-0.76!,f=1.3) USER MOD Set 4.1: A 41 GLN : amide:sc= -0.438 K(o=0.49,f=-0.31!) USER MOD Set 4.2: A 43 ASN : amide:sc= 0.929 K(o=0.49,f=-0.31) USER MOD Set 5.1: A 38 ASN : amide:sc= 0.665 K(o=1.9,f=-6.4!) USER MOD Set 5.2: A 60 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0.906) USER MOD Single : A 32 GLN : amide:sc= -1.71 K(o=-1.7,f=-6.1!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -83:sc= 1.28 USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= 1.14 (180deg=0.588) USER MOD Single : A 56 GLN : amide:sc= -0.0834 X(o=-0.083,f=-0.32) USER MOD Single : A 61 ASN : amide:sc=-0.00775 K(o=-0.0078,f=-0.92) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc=-0.00636 (180deg=-0.153) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 72 SER OG : rot 66:sc= 1.21 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 0.555 (180deg=0.524) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= -0.012 (180deg=-0.145) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0963 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 176:sc= -0.649 USER MOD Single : A 95 THR OG1 : rot -61:sc= 0.0209 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 100 MET CE :methyl -158:sc= -0.182 (180deg=-0.87) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -119:sc= 0.958 (180deg=0.629) USER MOD Single : A 106 LYS NZ :NH3+ 160:sc= -0.0553 (180deg=-0.313) USER MOD Single : A 109 MET CE :methyl -111:sc= -2.62 (180deg=-8.37!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -153:sc= 0.692 (180deg=0.305) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 123 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0447) USER MOD Single : A 169 HC4 O4' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 15.402 -0.333 -9.016 1.00 8.65 N ATOM 2 CA LEU A 26 13.942 -0.107 -9.098 1.00 7.71 C ATOM 3 C LEU A 26 13.191 -1.411 -8.845 1.00 6.76 C ATOM 4 O LEU A 26 13.392 -2.399 -9.547 1.00 6.84 O ATOM 5 CB LEU A 26 13.585 0.474 -10.482 1.00 7.84 C ATOM 6 CG LEU A 26 12.155 1.010 -10.668 1.00 8.33 C ATOM 7 CD1 LEU A 26 11.159 -0.121 -10.877 1.00 8.50 C ATOM 8 CD2 LEU A 26 11.741 1.862 -9.476 1.00 8.72 C ATOM 0 HA LEU A 26 13.644 0.608 -8.332 1.00 7.71 H new ATOM 0 HB2 LEU A 26 14.281 1.284 -10.699 1.00 7.84 H new ATOM 0 HB3 LEU A 26 13.756 -0.301 -11.229 1.00 7.84 H new ATOM 0 HG LEU A 26 12.152 1.632 -11.563 1.00 8.33 H new ATOM 0 HD11 LEU A 26 10.159 0.294 -11.005 1.00 8.50 H new ATOM 0 HD12 LEU A 26 11.433 -0.688 -11.767 1.00 8.50 H new ATOM 0 HD13 LEU A 26 11.170 -0.780 -10.009 1.00 8.50 H new ATOM 0 HD21 LEU A 26 10.727 2.231 -9.627 1.00 8.72 H new ATOM 0 HD22 LEU A 26 11.776 1.259 -8.568 1.00 8.72 H new ATOM 0 HD23 LEU A 26 12.424 2.706 -9.378 1.00 8.72 H new ATOM 20 N ALA A 27 12.338 -1.413 -7.833 1.00 6.18 N ATOM 21 CA ALA A 27 11.501 -2.568 -7.547 1.00 5.48 C ATOM 22 C ALA A 27 10.048 -2.263 -7.890 1.00 4.38 C ATOM 23 O ALA A 27 9.580 -1.141 -7.688 1.00 4.57 O ATOM 24 CB ALA A 27 11.628 -2.975 -6.087 1.00 6.04 C ATOM 0 H ALA A 27 12.207 -0.628 -7.196 1.00 6.18 H new ATOM 0 HA ALA A 27 11.839 -3.401 -8.164 1.00 5.48 H new ATOM 0 HB1 ALA A 27 10.994 -3.840 -5.894 1.00 6.04 H new ATOM 0 HB2 ALA A 27 12.665 -3.229 -5.869 1.00 6.04 H new ATOM 0 HB3 ALA A 27 11.316 -2.147 -5.450 1.00 6.04 H new ATOM 30 N PHE A 28 9.341 -3.253 -8.413 1.00 3.64 N ATOM 31 CA PHE A 28 7.945 -3.076 -8.793 1.00 2.91 C ATOM 32 C PHE A 28 7.022 -3.245 -7.591 1.00 1.94 C ATOM 33 O PHE A 28 6.439 -4.310 -7.384 1.00 2.30 O ATOM 34 CB PHE A 28 7.546 -4.056 -9.899 1.00 3.48 C ATOM 35 CG PHE A 28 8.229 -3.799 -11.213 1.00 4.19 C ATOM 36 CD1 PHE A 28 7.701 -2.894 -12.121 1.00 4.76 C ATOM 37 CD2 PHE A 28 9.400 -4.463 -11.537 1.00 4.70 C ATOM 38 CE1 PHE A 28 8.330 -2.658 -13.329 1.00 5.72 C ATOM 39 CE2 PHE A 28 10.033 -4.232 -12.743 1.00 5.68 C ATOM 40 CZ PHE A 28 9.488 -3.319 -13.644 1.00 6.15 C ATOM 0 H PHE A 28 9.710 -4.188 -8.585 1.00 3.64 H new ATOM 0 HA PHE A 28 7.838 -2.060 -9.173 1.00 2.91 H new ATOM 0 HB2 PHE A 28 7.776 -5.070 -9.573 1.00 3.48 H new ATOM 0 HB3 PHE A 28 6.467 -4.005 -10.045 1.00 3.48 H new ATOM 0 HD1 PHE A 28 6.789 -2.368 -11.882 1.00 4.76 H new ATOM 0 HD2 PHE A 28 9.823 -5.170 -10.839 1.00 4.70 H new ATOM 0 HE1 PHE A 28 7.907 -1.950 -14.027 1.00 5.72 H new ATOM 0 HE2 PHE A 28 10.945 -4.756 -12.986 1.00 5.68 H new ATOM 0 HZ PHE A 28 9.977 -3.133 -14.589 1.00 6.15 H new ATOM 50 N GLY A 29 6.910 -2.195 -6.795 1.00 1.43 N ATOM 51 CA GLY A 29 6.021 -2.210 -5.652 1.00 0.99 C ATOM 52 C GLY A 29 4.635 -1.739 -6.011 1.00 0.78 C ATOM 53 O GLY A 29 4.122 -0.805 -5.409 1.00 1.00 O ATOM 0 H GLY A 29 7.424 -1.323 -6.921 1.00 1.43 H new ATOM 0 HA2 GLY A 29 5.967 -3.221 -5.247 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.429 -1.573 -4.867 1.00 0.99 H new ATOM 57 N ALA A 30 4.023 -2.370 -6.993 1.00 0.70 N ATOM 58 CA ALA A 30 2.723 -1.930 -7.465 1.00 0.54 C ATOM 59 C ALA A 30 1.606 -2.825 -6.939 1.00 0.49 C ATOM 60 O ALA A 30 1.391 -3.934 -7.437 1.00 0.60 O ATOM 61 CB ALA A 30 2.702 -1.896 -8.985 1.00 0.68 C ATOM 0 H ALA A 30 4.401 -3.184 -7.478 1.00 0.70 H new ATOM 0 HA ALA A 30 2.550 -0.924 -7.083 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.722 -1.565 -9.328 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.465 -1.205 -9.344 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.904 -2.894 -9.374 1.00 0.68 H new ATOM 67 N ILE A 31 0.903 -2.341 -5.933 1.00 0.40 N ATOM 68 CA ILE A 31 -0.221 -3.059 -5.357 1.00 0.39 C ATOM 69 C ILE A 31 -1.367 -2.098 -5.087 1.00 0.35 C ATOM 70 O ILE A 31 -1.147 -0.933 -4.781 1.00 0.36 O ATOM 71 CB ILE A 31 0.125 -3.720 -4.257 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.048 -4.474 -3.642 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.791 -2.799 -3.236 1.00 0.52 C ATOM 74 CD1 ILE A 31 -0.717 -5.147 -2.323 1.00 0.90 C ATOM 0 H ILE A 31 1.093 -1.441 -5.492 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.553 -3.805 -6.079 1.00 0.39 H new ATOM 0 HB ILE A 31 0.859 -4.468 -4.559 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.874 -3.780 -3.488 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.393 -5.229 -4.348 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.061 -3.373 -2.349 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.689 -2.362 -3.672 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.099 -2.004 -2.957 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -1.600 -5.663 -1.946 1.00 0.90 H new ATOM 0 HD12 ILE A 31 0.088 -5.867 -2.474 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -0.401 -4.395 -1.600 1.00 0.90 H new ATOM 86 N GLN A 32 -2.581 -2.546 -5.317 1.00 0.38 N ATOM 87 CA GLN A 32 -3.732 -1.684 -5.120 1.00 0.40 C ATOM 88 C GLN A 32 -4.676 -2.272 -4.084 1.00 0.37 C ATOM 89 O GLN A 32 -4.884 -3.490 -4.024 1.00 0.44 O ATOM 90 CB GLN A 32 -4.445 -1.414 -6.454 1.00 0.50 C ATOM 91 CG GLN A 32 -5.449 -2.470 -6.889 1.00 0.55 C ATOM 92 CD GLN A 32 -6.881 -2.054 -6.595 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.143 -1.309 -5.656 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.818 -2.537 -7.391 1.00 0.93 N ATOM 0 H GLN A 32 -2.799 -3.490 -5.637 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.384 -0.725 -4.736 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -4.960 -0.456 -6.382 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -3.691 -1.312 -7.234 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -5.338 -2.656 -7.957 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.232 -3.408 -6.378 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.564 -3.154 -8.162 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.796 -2.293 -7.234 1.00 0.93 H new ATOM 103 N LEU A 33 -5.224 -1.401 -3.257 1.00 0.34 N ATOM 104 CA LEU A 33 -6.119 -1.819 -2.193 1.00 0.36 C ATOM 105 C LEU A 33 -7.347 -0.932 -2.131 1.00 0.35 C ATOM 106 O LEU A 33 -7.378 0.157 -2.698 1.00 0.43 O ATOM 107 CB LEU A 33 -5.368 -1.843 -0.853 1.00 0.45 C ATOM 108 CG LEU A 33 -4.610 -0.565 -0.467 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.550 0.500 0.080 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.531 -0.884 0.554 1.00 0.71 C ATOM 0 H LEU A 33 -5.064 -0.395 -3.302 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.467 -2.830 -2.406 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -6.086 -2.065 -0.064 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.656 -2.668 -0.876 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.146 -0.168 -1.370 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.978 1.390 0.343 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.291 0.755 -0.678 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -6.055 0.118 0.967 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -3.000 0.030 0.820 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.989 -1.310 1.446 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.828 -1.601 0.129 1.00 0.71 H new ATOM 122 N ASP A 34 -8.365 -1.416 -1.460 1.00 0.35 N ATOM 123 CA ASP A 34 -9.600 -0.659 -1.315 1.00 0.45 C ATOM 124 C ASP A 34 -9.498 0.328 -0.165 1.00 0.53 C ATOM 125 O ASP A 34 -8.676 0.176 0.740 1.00 0.58 O ATOM 126 CB ASP A 34 -10.823 -1.580 -1.136 1.00 0.55 C ATOM 127 CG ASP A 34 -10.736 -2.504 0.067 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.282 -2.063 1.137 1.00 0.88 O ATOM 129 OD2 ASP A 34 -11.159 -3.673 -0.048 1.00 1.15 O ATOM 0 H ASP A 34 -8.369 -2.328 -1.004 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.746 -0.100 -2.239 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.717 -0.964 -1.043 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.944 -2.183 -2.036 1.00 0.55 H new ATOM 134 N GLY A 35 -10.341 1.346 -0.217 1.00 0.67 N ATOM 135 CA GLY A 35 -10.361 2.356 0.823 1.00 0.84 C ATOM 136 C GLY A 35 -10.971 1.840 2.110 1.00 0.85 C ATOM 137 O GLY A 35 -11.102 2.572 3.089 1.00 1.20 O ATOM 0 H GLY A 35 -11.017 1.493 -0.966 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.344 2.696 1.016 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.926 3.221 0.476 1.00 0.84 H new ATOM 141 N ASP A 36 -11.338 0.571 2.098 1.00 0.69 N ATOM 142 CA ASP A 36 -11.920 -0.083 3.254 1.00 0.83 C ATOM 143 C ASP A 36 -10.804 -0.549 4.177 1.00 0.83 C ATOM 144 O ASP A 36 -10.874 -0.398 5.399 1.00 1.10 O ATOM 145 CB ASP A 36 -12.752 -1.274 2.782 1.00 0.89 C ATOM 146 CG ASP A 36 -13.627 -1.872 3.870 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.851 -1.610 3.864 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.107 -2.623 4.723 1.00 1.77 O ATOM 0 H ASP A 36 -11.240 -0.036 1.284 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.563 0.609 3.798 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.383 -0.959 1.951 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.083 -2.045 2.400 1.00 0.89 H new ATOM 153 N GLY A 37 -9.762 -1.100 3.569 1.00 0.67 N ATOM 154 CA GLY A 37 -8.620 -1.579 4.315 1.00 0.81 C ATOM 155 C GLY A 37 -8.222 -2.988 3.919 1.00 0.78 C ATOM 156 O GLY A 37 -7.686 -3.740 4.733 1.00 1.05 O ATOM 0 H GLY A 37 -9.690 -1.224 2.559 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.777 -0.907 4.155 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -8.849 -1.555 5.380 1.00 0.81 H new ATOM 160 N ASN A 38 -8.501 -3.358 2.674 1.00 0.61 N ATOM 161 CA ASN A 38 -8.170 -4.687 2.175 1.00 0.73 C ATOM 162 C ASN A 38 -7.517 -4.587 0.810 1.00 0.57 C ATOM 163 O ASN A 38 -7.786 -3.659 0.051 1.00 0.49 O ATOM 164 CB ASN A 38 -9.424 -5.561 2.068 1.00 0.95 C ATOM 165 CG ASN A 38 -10.269 -5.543 3.324 1.00 1.13 C ATOM 166 OD1 ASN A 38 -10.031 -6.304 4.261 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.270 -4.676 3.344 1.00 1.38 N ATOM 0 H ASN A 38 -8.957 -2.754 1.990 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.478 -5.145 2.881 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.027 -5.219 1.227 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -9.127 -6.587 1.852 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -11.880 -4.620 4.159 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.430 -4.064 2.544 1.00 1.38 H new ATOM 174 N ILE A 39 -6.650 -5.535 0.507 1.00 0.65 N ATOM 175 CA ILE A 39 -5.989 -5.578 -0.773 1.00 0.57 C ATOM 176 C ILE A 39 -6.954 -6.057 -1.856 1.00 0.59 C ATOM 177 O ILE A 39 -7.837 -6.875 -1.590 1.00 0.77 O ATOM 178 CB ILE A 39 -4.949 -6.384 -0.694 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.062 -5.979 0.473 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.150 -6.398 -1.985 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.230 -4.735 0.230 1.00 1.18 C ATOM 0 H ILE A 39 -6.389 -6.290 1.141 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.652 -4.577 -1.040 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.322 -7.395 -0.528 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.689 -5.816 1.350 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.394 -6.807 0.709 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.301 -7.074 -1.880 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.786 -6.738 -2.803 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.789 -5.392 -2.200 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.629 -4.521 1.114 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.573 -4.898 -0.625 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -3.889 -3.891 0.026 1.00 1.18 H new ATOM 193 N LEU A 40 -6.830 -5.495 -3.049 1.00 0.51 N ATOM 194 CA LEU A 40 -7.688 -5.881 -4.165 1.00 0.61 C ATOM 195 C LEU A 40 -6.886 -6.561 -5.262 1.00 0.60 C ATOM 196 O LEU A 40 -7.244 -7.642 -5.727 1.00 0.72 O ATOM 197 CB LEU A 40 -8.403 -4.664 -4.750 1.00 0.66 C ATOM 198 CG LEU A 40 -9.301 -3.908 -3.781 1.00 1.07 C ATOM 199 CD1 LEU A 40 -9.953 -2.726 -4.476 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.360 -4.829 -3.197 1.00 1.54 C ATOM 0 H LEU A 40 -6.146 -4.772 -3.271 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.427 -6.581 -3.777 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -7.653 -3.974 -5.138 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -9.005 -4.990 -5.598 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.684 -3.535 -2.964 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -10.592 -2.196 -3.770 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.182 -2.050 -4.845 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -10.554 -3.082 -5.312 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.990 -4.268 -2.507 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.974 -5.234 -4.002 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.876 -5.647 -2.663 1.00 1.54 H new ATOM 212 N GLN A 41 -5.803 -5.922 -5.677 1.00 0.50 N ATOM 213 CA GLN A 41 -5.002 -6.425 -6.787 1.00 0.55 C ATOM 214 C GLN A 41 -3.520 -6.187 -6.519 1.00 0.46 C ATOM 215 O GLN A 41 -3.126 -5.117 -6.062 1.00 0.46 O ATOM 216 CB GLN A 41 -5.451 -5.747 -8.091 1.00 0.67 C ATOM 217 CG GLN A 41 -4.921 -6.387 -9.369 1.00 1.08 C ATOM 218 CD GLN A 41 -3.514 -5.947 -9.725 1.00 1.73 C ATOM 219 OE1 GLN A 41 -3.102 -4.828 -9.422 1.00 2.41 O ATOM 220 NE2 GLN A 41 -2.774 -6.824 -10.379 1.00 2.37 N ATOM 0 H GLN A 41 -5.457 -5.056 -5.264 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.151 -7.500 -6.888 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.540 -5.749 -8.127 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.135 -4.704 -8.067 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -4.937 -7.471 -9.257 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -5.590 -6.142 -10.194 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -3.155 -7.741 -10.610 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -1.821 -6.584 -10.653 1.00 2.37 H new ATOM 229 N TYR A 42 -2.708 -7.193 -6.798 1.00 0.57 N ATOM 230 CA TYR A 42 -1.275 -7.104 -6.573 1.00 0.58 C ATOM 231 C TYR A 42 -0.518 -7.545 -7.820 1.00 0.65 C ATOM 232 O TYR A 42 -0.861 -8.553 -8.439 1.00 0.79 O ATOM 233 CB TYR A 42 -0.878 -7.963 -5.369 1.00 0.71 C ATOM 234 CG TYR A 42 0.612 -8.028 -5.119 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.302 -9.221 -5.267 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.324 -6.899 -4.738 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.659 -9.291 -5.040 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.685 -6.959 -4.510 1.00 1.02 C ATOM 239 CZ TYR A 42 3.347 -8.159 -4.661 1.00 1.21 C ATOM 240 OH TYR A 42 4.702 -8.229 -4.436 1.00 1.42 O ATOM 0 H TYR A 42 -3.019 -8.085 -7.183 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.013 -6.067 -6.361 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.368 -7.569 -4.478 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -1.255 -8.975 -5.519 1.00 0.71 H new ATOM 0 HD1 TYR A 42 0.767 -10.110 -5.565 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.806 -5.959 -4.618 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.181 -10.229 -5.159 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.227 -6.072 -4.216 1.00 1.02 H new ATOM 0 HH TYR A 42 5.037 -7.345 -4.177 1.00 1.42 H new ATOM 250 N ASN A 43 0.506 -6.789 -8.185 1.00 0.63 N ATOM 251 CA ASN A 43 1.283 -7.080 -9.383 1.00 0.75 C ATOM 252 C ASN A 43 2.624 -7.690 -9.009 1.00 0.92 C ATOM 253 O ASN A 43 3.239 -7.291 -8.018 1.00 1.02 O ATOM 254 CB ASN A 43 1.506 -5.803 -10.203 1.00 0.78 C ATOM 255 CG ASN A 43 0.206 -5.133 -10.605 1.00 0.73 C ATOM 256 OD1 ASN A 43 -0.370 -5.442 -11.647 1.00 1.21 O ATOM 257 ND2 ASN A 43 -0.257 -4.199 -9.789 1.00 0.88 N ATOM 0 H ASN A 43 0.820 -5.967 -7.668 1.00 0.63 H new ATOM 0 HA ASN A 43 0.723 -7.794 -9.987 1.00 0.75 H new ATOM 0 HB2 ASN A 43 2.107 -5.103 -9.622 1.00 0.78 H new ATOM 0 HB3 ASN A 43 2.077 -6.046 -11.099 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -1.121 -3.707 -10.015 1.00 0.88 H new ATOM 0 HD22 ASN A 43 0.250 -3.972 -8.934 1.00 0.88 H new ATOM 264 N ALA A 44 3.071 -8.653 -9.801 1.00 1.13 N ATOM 265 CA ALA A 44 4.343 -9.317 -9.558 1.00 1.36 C ATOM 266 C ALA A 44 5.464 -8.614 -10.313 1.00 1.78 C ATOM 267 O ALA A 44 5.234 -8.008 -11.363 1.00 2.50 O ATOM 268 CB ALA A 44 4.261 -10.782 -9.967 1.00 2.05 C ATOM 0 H ALA A 44 2.569 -8.993 -10.621 1.00 1.13 H new ATOM 0 HA ALA A 44 4.563 -9.267 -8.492 1.00 1.36 H new ATOM 0 HB1 ALA A 44 5.219 -11.266 -9.780 1.00 2.05 H new ATOM 0 HB2 ALA A 44 3.484 -11.279 -9.386 1.00 2.05 H new ATOM 0 HB3 ALA A 44 4.021 -10.851 -11.028 1.00 2.05 H new ATOM 274 N ALA A 45 6.671 -8.687 -9.774 1.00 2.22 N ATOM 275 CA ALA A 45 7.826 -8.055 -10.393 1.00 3.09 C ATOM 276 C ALA A 45 8.568 -9.033 -11.294 1.00 3.52 C ATOM 277 O ALA A 45 9.247 -9.943 -10.813 1.00 3.90 O ATOM 278 CB ALA A 45 8.763 -7.501 -9.327 1.00 4.00 C ATOM 0 H ALA A 45 6.877 -9.180 -8.905 1.00 2.22 H new ATOM 0 HA ALA A 45 7.469 -7.230 -11.010 1.00 3.09 H new ATOM 0 HB1 ALA A 45 9.622 -7.031 -9.806 1.00 4.00 H new ATOM 0 HB2 ALA A 45 8.234 -6.762 -8.726 1.00 4.00 H new ATOM 0 HB3 ALA A 45 9.105 -8.313 -8.685 1.00 4.00 H new ATOM 284 N GLU A 46 8.424 -8.852 -12.597 1.00 4.02 N ATOM 285 CA GLU A 46 9.121 -9.687 -13.566 1.00 4.87 C ATOM 286 C GLU A 46 10.464 -9.066 -13.927 1.00 5.45 C ATOM 287 O GLU A 46 10.817 -7.996 -13.428 1.00 5.90 O ATOM 288 CB GLU A 46 8.274 -9.868 -14.830 1.00 5.61 C ATOM 289 CG GLU A 46 6.937 -10.545 -14.585 1.00 5.96 C ATOM 290 CD GLU A 46 6.142 -10.727 -15.861 1.00 6.73 C ATOM 291 OE1 GLU A 46 5.388 -9.803 -16.236 1.00 7.09 O ATOM 292 OE2 GLU A 46 6.262 -11.798 -16.491 1.00 7.21 O ATOM 0 H GLU A 46 7.830 -8.133 -13.010 1.00 4.02 H new ATOM 0 HA GLU A 46 9.290 -10.665 -13.116 1.00 4.87 H new ATOM 0 HB2 GLU A 46 8.098 -8.891 -15.280 1.00 5.61 H new ATOM 0 HB3 GLU A 46 8.840 -10.455 -15.553 1.00 5.61 H new ATOM 0 HG2 GLU A 46 7.104 -11.518 -14.122 1.00 5.96 H new ATOM 0 HG3 GLU A 46 6.356 -9.952 -13.879 1.00 5.96 H new ATOM 299 N GLY A 47 11.207 -9.740 -14.792 1.00 5.76 N ATOM 300 CA GLY A 47 12.487 -9.221 -15.232 1.00 6.54 C ATOM 301 C GLY A 47 13.601 -10.227 -15.062 1.00 6.69 C ATOM 302 O GLY A 47 14.251 -10.619 -16.034 1.00 6.97 O ATOM 0 H GLY A 47 10.947 -10.639 -15.198 1.00 5.76 H new ATOM 0 HA2 GLY A 47 12.418 -8.932 -16.281 1.00 6.54 H new ATOM 0 HA3 GLY A 47 12.725 -8.320 -14.667 1.00 6.54 H new ATOM 306 N ASP A 48 13.819 -10.651 -13.826 1.00 6.81 N ATOM 307 CA ASP A 48 14.862 -11.622 -13.523 1.00 7.22 C ATOM 308 C ASP A 48 14.310 -13.034 -13.686 1.00 7.49 C ATOM 309 O ASP A 48 13.231 -13.345 -13.181 1.00 7.74 O ATOM 310 CB ASP A 48 15.381 -11.417 -12.095 1.00 7.72 C ATOM 311 CG ASP A 48 16.690 -12.137 -11.841 1.00 8.18 C ATOM 312 OD1 ASP A 48 16.759 -13.359 -12.068 1.00 8.38 O ATOM 313 OD2 ASP A 48 17.657 -11.481 -11.397 1.00 8.59 O ATOM 0 H ASP A 48 13.287 -10.338 -13.014 1.00 6.81 H new ATOM 0 HA ASP A 48 15.692 -11.481 -14.215 1.00 7.22 H new ATOM 0 HB2 ASP A 48 15.515 -10.351 -11.911 1.00 7.72 H new ATOM 0 HB3 ASP A 48 14.632 -11.771 -11.386 1.00 7.72 H new ATOM 318 N ILE A 49 15.053 -13.887 -14.383 1.00 7.75 N ATOM 319 CA ILE A 49 14.572 -15.228 -14.703 1.00 8.31 C ATOM 320 C ILE A 49 15.023 -16.235 -13.637 1.00 8.64 C ATOM 321 O ILE A 49 15.510 -17.327 -13.939 1.00 9.15 O ATOM 322 CB ILE A 49 14.976 -15.619 -15.912 1.00 8.70 C ATOM 323 CG1 ILE A 49 14.867 -14.477 -16.929 1.00 8.59 C ATOM 324 CG2 ILE A 49 14.156 -16.819 -16.395 1.00 9.24 C ATOM 325 CD1 ILE A 49 13.451 -13.993 -17.167 1.00 9.12 C ATOM 0 H ILE A 49 15.986 -13.676 -14.736 1.00 7.75 H new ATOM 0 HA ILE A 49 13.483 -15.191 -14.711 1.00 8.31 H new ATOM 0 HB ILE A 49 16.023 -15.912 -15.829 1.00 8.70 H new ATOM 0 HG12 ILE A 49 15.473 -13.639 -16.584 1.00 8.59 H new ATOM 0 HG13 ILE A 49 15.291 -14.808 -17.877 1.00 8.59 H new ATOM 0 HG21 ILE A 49 14.502 -17.122 -17.383 1.00 9.24 H new ATOM 0 HG22 ILE A 49 14.279 -17.648 -15.698 1.00 9.24 H new ATOM 0 HG23 ILE A 49 13.103 -16.542 -16.448 1.00 9.24 H new ATOM 0 HD11 ILE A 49 13.461 -13.185 -17.899 1.00 9.12 H new ATOM 0 HD12 ILE A 49 12.844 -14.816 -17.543 1.00 9.12 H new ATOM 0 HD13 ILE A 49 13.029 -13.629 -16.230 1.00 9.12 H new ATOM 337 N THR A 50 14.897 -15.839 -12.375 1.00 8.56 N ATOM 338 CA THR A 50 15.115 -16.743 -11.251 1.00 9.03 C ATOM 339 C THR A 50 14.047 -16.515 -10.190 1.00 9.23 C ATOM 340 O THR A 50 14.335 -16.458 -8.993 1.00 9.50 O ATOM 341 CB THR A 50 16.310 -16.595 -10.693 1.00 9.31 C ATOM 342 OG1 THR A 50 16.550 -15.215 -10.374 1.00 9.41 O ATOM 343 CG2 THR A 50 17.424 -17.119 -11.581 1.00 9.82 C ATOM 0 H THR A 50 14.643 -14.889 -12.103 1.00 8.56 H new ATOM 0 HA THR A 50 15.058 -17.756 -11.650 1.00 9.03 H new ATOM 0 HB THR A 50 16.309 -17.185 -9.776 1.00 9.31 H new ATOM 0 HG1 THR A 50 16.874 -14.746 -11.172 1.00 9.41 H new ATOM 0 HG21 THR A 50 18.383 -16.977 -11.083 1.00 9.82 H new ATOM 0 HG22 THR A 50 17.268 -18.181 -11.772 1.00 9.82 H new ATOM 0 HG23 THR A 50 17.422 -16.576 -12.526 1.00 9.82 H new ATOM 351 N GLY A 51 12.809 -16.361 -10.633 1.00 9.30 N ATOM 352 CA GLY A 51 11.746 -16.035 -9.713 1.00 9.62 C ATOM 353 C GLY A 51 10.410 -16.602 -10.129 1.00 9.32 C ATOM 354 O GLY A 51 9.890 -16.284 -11.200 1.00 9.37 O ATOM 0 H GLY A 51 12.525 -16.456 -11.608 1.00 9.30 H new ATOM 0 HA2 GLY A 51 12.002 -16.412 -8.723 1.00 9.62 H new ATOM 0 HA3 GLY A 51 11.664 -14.951 -9.630 1.00 9.62 H new ATOM 358 N ARG A 52 9.869 -17.471 -9.293 1.00 9.21 N ATOM 359 CA ARG A 52 8.514 -17.958 -9.472 1.00 9.00 C ATOM 360 C ARG A 52 7.624 -17.376 -8.388 1.00 8.48 C ATOM 361 O ARG A 52 7.693 -17.783 -7.225 1.00 8.73 O ATOM 362 CB ARG A 52 8.472 -19.487 -9.450 1.00 9.54 C ATOM 363 CG ARG A 52 9.171 -20.145 -10.634 1.00 10.23 C ATOM 364 CD ARG A 52 8.419 -19.926 -11.944 1.00 10.92 C ATOM 365 NE ARG A 52 8.378 -18.518 -12.340 1.00 11.43 N ATOM 366 CZ ARG A 52 7.354 -17.949 -12.971 1.00 12.12 C ATOM 367 NH1 ARG A 52 6.277 -18.662 -13.285 1.00 12.40 N ATOM 368 NH2 ARG A 52 7.407 -16.663 -13.285 1.00 12.72 N ATOM 0 H ARG A 52 10.351 -17.855 -8.480 1.00 9.21 H new ATOM 0 HA ARG A 52 8.147 -17.637 -10.447 1.00 9.00 H new ATOM 0 HB2 ARG A 52 8.933 -19.839 -8.528 1.00 9.54 H new ATOM 0 HB3 ARG A 52 7.431 -19.811 -9.430 1.00 9.54 H new ATOM 0 HG2 ARG A 52 10.181 -19.745 -10.726 1.00 10.23 H new ATOM 0 HG3 ARG A 52 9.268 -21.215 -10.448 1.00 10.23 H new ATOM 0 HD2 ARG A 52 8.895 -20.508 -12.733 1.00 10.92 H new ATOM 0 HD3 ARG A 52 7.401 -20.301 -11.841 1.00 10.92 H new ATOM 0 HE ARG A 52 9.186 -17.936 -12.118 1.00 11.43 H new ATOM 0 HH11 ARG A 52 6.232 -19.652 -13.042 1.00 12.40 H new ATOM 0 HH12 ARG A 52 5.496 -18.219 -13.769 1.00 12.40 H new ATOM 0 HH21 ARG A 52 8.231 -16.112 -13.043 1.00 12.72 H new ATOM 0 HH22 ARG A 52 6.624 -16.223 -13.769 1.00 12.72 H new ATOM 382 N ASP A 53 6.818 -16.399 -8.769 1.00 7.97 N ATOM 383 CA ASP A 53 5.980 -15.673 -7.828 1.00 7.57 C ATOM 384 C ASP A 53 4.878 -16.565 -7.268 1.00 7.11 C ATOM 385 O ASP A 53 4.186 -17.264 -8.011 1.00 6.96 O ATOM 386 CB ASP A 53 5.377 -14.435 -8.503 1.00 7.63 C ATOM 387 CG ASP A 53 4.564 -14.777 -9.736 1.00 7.90 C ATOM 388 OD1 ASP A 53 5.164 -15.140 -10.766 1.00 8.01 O ATOM 389 OD2 ASP A 53 3.320 -14.675 -9.683 1.00 8.24 O ATOM 0 H ASP A 53 6.726 -16.087 -9.736 1.00 7.97 H new ATOM 0 HA ASP A 53 6.605 -15.352 -6.995 1.00 7.57 H new ATOM 0 HB2 ASP A 53 4.743 -13.910 -7.789 1.00 7.63 H new ATOM 0 HB3 ASP A 53 6.179 -13.751 -8.780 1.00 7.63 H new ATOM 394 N PRO A 54 4.725 -16.575 -5.935 1.00 7.19 N ATOM 395 CA PRO A 54 3.676 -17.344 -5.267 1.00 7.04 C ATOM 396 C PRO A 54 2.327 -16.638 -5.342 1.00 6.40 C ATOM 397 O PRO A 54 1.293 -17.213 -4.990 1.00 6.42 O ATOM 398 CB PRO A 54 4.168 -17.424 -3.823 1.00 7.72 C ATOM 399 CG PRO A 54 4.981 -16.189 -3.631 1.00 8.11 C ATOM 400 CD PRO A 54 5.583 -15.857 -4.972 1.00 7.77 C ATOM 0 HA PRO A 54 3.515 -18.320 -5.725 1.00 7.04 H new ATOM 0 HB2 PRO A 54 3.334 -17.462 -3.122 1.00 7.72 H new ATOM 0 HB3 PRO A 54 4.765 -18.321 -3.657 1.00 7.72 H new ATOM 0 HG2 PRO A 54 4.360 -15.369 -3.271 1.00 8.11 H new ATOM 0 HG3 PRO A 54 5.760 -16.350 -2.886 1.00 8.11 H new ATOM 0 HD2 PRO A 54 5.579 -14.783 -5.157 1.00 7.77 H new ATOM 0 HD3 PRO A 54 6.620 -16.187 -5.037 1.00 7.77 H new ATOM 408 N LYS A 55 2.361 -15.389 -5.807 1.00 6.12 N ATOM 409 CA LYS A 55 1.169 -14.565 -5.982 1.00 5.80 C ATOM 410 C LYS A 55 0.483 -14.270 -4.656 1.00 5.33 C ATOM 411 O LYS A 55 -0.309 -15.068 -4.154 1.00 5.67 O ATOM 412 CB LYS A 55 0.188 -15.216 -6.964 1.00 6.46 C ATOM 413 CG LYS A 55 0.671 -15.166 -8.401 1.00 7.19 C ATOM 414 CD LYS A 55 -0.234 -15.940 -9.342 1.00 8.01 C ATOM 415 CE LYS A 55 0.299 -15.889 -10.765 1.00 8.64 C ATOM 416 NZ LYS A 55 1.704 -16.375 -10.844 1.00 9.24 N ATOM 0 H LYS A 55 3.225 -14.918 -6.075 1.00 6.12 H new ATOM 0 HA LYS A 55 1.497 -13.614 -6.401 1.00 5.80 H new ATOM 0 HB2 LYS A 55 0.029 -16.255 -6.675 1.00 6.46 H new ATOM 0 HB3 LYS A 55 -0.777 -14.714 -6.893 1.00 6.46 H new ATOM 0 HG2 LYS A 55 0.727 -14.127 -8.727 1.00 7.19 H new ATOM 0 HG3 LYS A 55 1.681 -15.572 -8.456 1.00 7.19 H new ATOM 0 HD2 LYS A 55 -0.307 -16.977 -9.013 1.00 8.01 H new ATOM 0 HD3 LYS A 55 -1.241 -15.524 -9.311 1.00 8.01 H new ATOM 0 HE2 LYS A 55 -0.333 -16.497 -11.412 1.00 8.64 H new ATOM 0 HE3 LYS A 55 0.246 -14.866 -11.137 1.00 8.64 H new ATOM 0 HZ1 LYS A 55 1.871 -16.804 -11.777 1.00 9.24 H new ATOM 0 HZ2 LYS A 55 2.356 -15.576 -10.708 1.00 9.24 H new ATOM 0 HZ3 LYS A 55 1.868 -17.085 -10.102 1.00 9.24 H new ATOM 430 N GLN A 56 0.822 -13.128 -4.074 1.00 4.97 N ATOM 431 CA GLN A 56 0.130 -12.644 -2.890 1.00 4.93 C ATOM 432 C GLN A 56 -1.278 -12.196 -3.275 1.00 4.31 C ATOM 433 O GLN A 56 -2.261 -12.671 -2.710 1.00 4.54 O ATOM 434 CB GLN A 56 0.909 -11.489 -2.251 1.00 5.58 C ATOM 435 CG GLN A 56 0.306 -10.985 -0.947 1.00 6.20 C ATOM 436 CD GLN A 56 0.290 -12.045 0.138 1.00 6.94 C ATOM 437 OE1 GLN A 56 -0.672 -12.800 0.271 1.00 7.39 O ATOM 438 NE2 GLN A 56 1.350 -12.102 0.927 1.00 7.40 N ATOM 0 H GLN A 56 1.572 -12.520 -4.403 1.00 4.97 H new ATOM 0 HA GLN A 56 0.060 -13.449 -2.158 1.00 4.93 H new ATOM 0 HB2 GLN A 56 1.933 -11.813 -2.065 1.00 5.58 H new ATOM 0 HB3 GLN A 56 0.960 -10.662 -2.960 1.00 5.58 H new ATOM 0 HG2 GLN A 56 0.874 -10.122 -0.598 1.00 6.20 H new ATOM 0 HG3 GLN A 56 -0.713 -10.643 -1.131 1.00 6.20 H new ATOM 0 HE21 GLN A 56 2.128 -11.458 0.784 1.00 7.40 H new ATOM 0 HE22 GLN A 56 1.390 -12.790 1.679 1.00 7.40 H new ATOM 447 N VAL A 57 -1.341 -11.299 -4.267 1.00 3.91 N ATOM 448 CA VAL A 57 -2.598 -10.799 -4.848 1.00 3.65 C ATOM 449 C VAL A 57 -3.460 -10.044 -3.828 1.00 2.70 C ATOM 450 O VAL A 57 -3.606 -8.828 -3.914 1.00 3.03 O ATOM 451 CB VAL A 57 -3.305 -11.772 -5.414 1.00 4.38 C ATOM 452 CG1 VAL A 57 -4.565 -11.220 -6.077 1.00 5.06 C ATOM 453 CG2 VAL A 57 -2.467 -12.541 -6.428 1.00 4.94 C ATOM 0 H VAL A 57 -0.510 -10.893 -4.696 1.00 3.91 H new ATOM 0 HA VAL A 57 -2.305 -10.091 -5.623 1.00 3.65 H new ATOM 0 HB VAL A 57 -3.606 -12.461 -4.625 1.00 4.38 H new ATOM 0 HG11 VAL A 57 -5.125 -12.037 -6.532 1.00 5.06 H new ATOM 0 HG12 VAL A 57 -5.185 -10.729 -5.327 1.00 5.06 H new ATOM 0 HG13 VAL A 57 -4.286 -10.499 -6.846 1.00 5.06 H new ATOM 0 HG21 VAL A 57 -3.071 -13.331 -6.875 1.00 4.94 H new ATOM 0 HG22 VAL A 57 -2.124 -11.861 -7.208 1.00 4.94 H new ATOM 0 HG23 VAL A 57 -1.605 -12.983 -5.928 1.00 4.94 H new ATOM 463 N ILE A 58 -4.024 -10.767 -2.872 1.00 2.02 N ATOM 464 CA ILE A 58 -4.913 -10.187 -1.875 1.00 1.38 C ATOM 465 C ILE A 58 -4.525 -10.650 -0.483 1.00 1.46 C ATOM 466 O ILE A 58 -5.223 -11.433 0.167 1.00 1.83 O ATOM 467 CB ILE A 58 -6.182 -10.483 -2.114 1.00 1.94 C ATOM 468 CG1 ILE A 58 -6.351 -11.946 -2.550 1.00 2.47 C ATOM 469 CG2 ILE A 58 -6.756 -9.534 -3.157 1.00 2.66 C ATOM 470 CD1 ILE A 58 -7.767 -12.305 -2.928 1.00 3.17 C ATOM 0 H ILE A 58 -3.879 -11.771 -2.765 1.00 2.02 H new ATOM 0 HA ILE A 58 -4.806 -9.104 -1.936 1.00 1.38 H new ATOM 0 HB ILE A 58 -6.737 -10.358 -1.184 1.00 1.94 H new ATOM 0 HG12 ILE A 58 -5.697 -12.141 -3.400 1.00 2.47 H new ATOM 0 HG13 ILE A 58 -6.024 -12.598 -1.740 1.00 2.47 H new ATOM 0 HG21 ILE A 58 -7.799 -9.788 -3.345 1.00 2.66 H new ATOM 0 HG22 ILE A 58 -6.692 -8.509 -2.791 1.00 2.66 H new ATOM 0 HG23 ILE A 58 -6.188 -9.625 -4.083 1.00 2.66 H new ATOM 0 HD11 ILE A 58 -7.810 -13.353 -3.225 1.00 3.17 H new ATOM 0 HD12 ILE A 58 -8.424 -12.143 -2.073 1.00 3.17 H new ATOM 0 HD13 ILE A 58 -8.092 -11.679 -3.759 1.00 3.17 H new ATOM 482 N GLY A 59 -3.401 -10.128 -0.028 1.00 1.92 N ATOM 483 CA GLY A 59 -2.858 -10.518 1.258 1.00 2.81 C ATOM 484 C GLY A 59 -3.731 -10.087 2.416 1.00 2.70 C ATOM 485 O GLY A 59 -3.805 -10.779 3.431 1.00 3.24 O ATOM 0 H GLY A 59 -2.847 -9.434 -0.530 1.00 1.92 H new ATOM 0 HA2 GLY A 59 -2.737 -11.601 1.283 1.00 2.81 H new ATOM 0 HA3 GLY A 59 -1.865 -10.083 1.375 1.00 2.81 H new ATOM 489 N LYS A 60 -4.396 -8.953 2.269 1.00 2.08 N ATOM 490 CA LYS A 60 -5.226 -8.425 3.332 1.00 2.08 C ATOM 491 C LYS A 60 -6.699 -8.632 3.017 1.00 2.02 C ATOM 492 O LYS A 60 -7.229 -8.043 2.076 1.00 1.74 O ATOM 493 CB LYS A 60 -4.920 -6.941 3.524 1.00 1.96 C ATOM 494 CG LYS A 60 -5.822 -6.232 4.523 1.00 2.22 C ATOM 495 CD LYS A 60 -5.819 -6.919 5.880 1.00 2.80 C ATOM 496 CE LYS A 60 -6.664 -6.157 6.891 1.00 3.43 C ATOM 497 NZ LYS A 60 -8.038 -5.891 6.385 1.00 3.85 N ATOM 0 H LYS A 60 -4.376 -8.383 1.424 1.00 2.08 H new ATOM 0 HA LYS A 60 -5.005 -8.959 4.256 1.00 2.08 H new ATOM 0 HB2 LYS A 60 -3.885 -6.836 3.851 1.00 1.96 H new ATOM 0 HB3 LYS A 60 -5.002 -6.439 2.560 1.00 1.96 H new ATOM 0 HG2 LYS A 60 -5.494 -5.199 4.639 1.00 2.22 H new ATOM 0 HG3 LYS A 60 -6.840 -6.201 4.134 1.00 2.22 H new ATOM 0 HD2 LYS A 60 -6.201 -7.934 5.776 1.00 2.80 H new ATOM 0 HD3 LYS A 60 -4.796 -7.000 6.246 1.00 2.80 H new ATOM 0 HE2 LYS A 60 -6.724 -6.729 7.817 1.00 3.43 H new ATOM 0 HE3 LYS A 60 -6.177 -5.212 7.131 1.00 3.43 H new ATOM 0 HZ1 LYS A 60 -8.702 -5.856 7.185 1.00 3.85 H new ATOM 0 HZ2 LYS A 60 -8.053 -4.980 5.883 1.00 3.85 H new ATOM 0 HZ3 LYS A 60 -8.321 -6.650 5.733 1.00 3.85 H new ATOM 511 N ASN A 61 -7.343 -9.472 3.807 1.00 2.50 N ATOM 512 CA ASN A 61 -8.771 -9.711 3.684 1.00 2.76 C ATOM 513 C ASN A 61 -9.370 -9.768 5.073 1.00 3.11 C ATOM 514 O ASN A 61 -9.065 -10.676 5.840 1.00 3.53 O ATOM 515 CB ASN A 61 -9.052 -11.026 2.959 1.00 3.24 C ATOM 516 CG ASN A 61 -10.514 -11.179 2.587 1.00 3.68 C ATOM 517 OD1 ASN A 61 -11.198 -10.198 2.296 1.00 4.05 O ATOM 518 ND2 ASN A 61 -11.011 -12.405 2.616 1.00 4.18 N ATOM 0 H ASN A 61 -6.893 -10.007 4.550 1.00 2.50 H new ATOM 0 HA ASN A 61 -9.215 -8.903 3.103 1.00 2.76 H new ATOM 0 HB2 ASN A 61 -8.443 -11.078 2.057 1.00 3.24 H new ATOM 0 HB3 ASN A 61 -8.752 -11.859 3.594 1.00 3.24 H new ATOM 0 HD21 ASN A 61 -11.994 -12.562 2.392 1.00 4.18 H new ATOM 0 HD22 ASN A 61 -10.411 -13.193 2.862 1.00 4.18 H new ATOM 525 N PHE A 62 -10.190 -8.785 5.402 1.00 3.09 N ATOM 526 CA PHE A 62 -10.767 -8.686 6.734 1.00 3.55 C ATOM 527 C PHE A 62 -11.634 -9.902 7.051 1.00 4.05 C ATOM 528 O PHE A 62 -12.787 -9.998 6.626 1.00 4.38 O ATOM 529 CB PHE A 62 -11.584 -7.404 6.871 1.00 4.05 C ATOM 530 CG PHE A 62 -12.053 -7.136 8.272 1.00 4.80 C ATOM 531 CD1 PHE A 62 -13.392 -7.238 8.603 1.00 5.37 C ATOM 532 CD2 PHE A 62 -11.147 -6.789 9.261 1.00 5.28 C ATOM 533 CE1 PHE A 62 -13.820 -6.999 9.894 1.00 6.27 C ATOM 534 CE2 PHE A 62 -11.569 -6.547 10.554 1.00 6.21 C ATOM 535 CZ PHE A 62 -12.907 -6.653 10.871 1.00 6.66 C ATOM 0 H PHE A 62 -10.473 -8.041 4.764 1.00 3.09 H new ATOM 0 HA PHE A 62 -9.947 -8.657 7.451 1.00 3.55 H new ATOM 0 HB2 PHE A 62 -10.982 -6.561 6.531 1.00 4.05 H new ATOM 0 HB3 PHE A 62 -12.450 -7.463 6.212 1.00 4.05 H new ATOM 0 HD1 PHE A 62 -14.111 -7.508 7.843 1.00 5.37 H new ATOM 0 HD2 PHE A 62 -10.098 -6.707 9.018 1.00 5.28 H new ATOM 0 HE1 PHE A 62 -14.868 -7.083 10.140 1.00 6.27 H new ATOM 0 HE2 PHE A 62 -10.853 -6.275 11.315 1.00 6.21 H new ATOM 0 HZ PHE A 62 -13.240 -6.466 11.881 1.00 6.66 H new ATOM 545 N PHE A 63 -11.057 -10.830 7.789 1.00 4.57 N ATOM 546 CA PHE A 63 -11.739 -12.045 8.199 1.00 5.42 C ATOM 547 C PHE A 63 -12.053 -11.950 9.689 1.00 5.92 C ATOM 548 O PHE A 63 -12.438 -12.927 10.330 1.00 6.42 O ATOM 549 CB PHE A 63 -10.831 -13.249 7.894 1.00 6.08 C ATOM 550 CG PHE A 63 -11.420 -14.595 8.225 1.00 6.58 C ATOM 551 CD1 PHE A 63 -10.886 -15.365 9.249 1.00 7.21 C ATOM 552 CD2 PHE A 63 -12.505 -15.086 7.519 1.00 6.73 C ATOM 553 CE1 PHE A 63 -11.424 -16.598 9.560 1.00 7.98 C ATOM 554 CE2 PHE A 63 -13.047 -16.318 7.826 1.00 7.51 C ATOM 555 CZ PHE A 63 -12.506 -17.075 8.847 1.00 8.13 C ATOM 0 H PHE A 63 -10.096 -10.763 8.124 1.00 4.57 H new ATOM 0 HA PHE A 63 -12.675 -12.172 7.655 1.00 5.42 H new ATOM 0 HB2 PHE A 63 -10.576 -13.232 6.834 1.00 6.08 H new ATOM 0 HB3 PHE A 63 -9.900 -13.131 8.448 1.00 6.08 H new ATOM 0 HD1 PHE A 63 -10.040 -14.995 9.809 1.00 7.21 H new ATOM 0 HD2 PHE A 63 -12.932 -14.499 6.719 1.00 6.73 H new ATOM 0 HE1 PHE A 63 -11.000 -17.188 10.359 1.00 7.98 H new ATOM 0 HE2 PHE A 63 -13.894 -16.690 7.268 1.00 7.51 H new ATOM 0 HZ PHE A 63 -12.929 -18.039 9.087 1.00 8.13 H new ATOM 565 N LYS A 64 -11.916 -10.730 10.216 1.00 6.06 N ATOM 566 CA LYS A 64 -11.944 -10.496 11.654 1.00 6.71 C ATOM 567 C LYS A 64 -10.773 -11.245 12.267 1.00 6.68 C ATOM 568 O LYS A 64 -10.905 -11.975 13.245 1.00 6.92 O ATOM 569 CB LYS A 64 -13.285 -10.913 12.272 1.00 7.46 C ATOM 570 CG LYS A 64 -14.459 -10.109 11.737 1.00 8.15 C ATOM 571 CD LYS A 64 -15.769 -10.499 12.399 1.00 8.91 C ATOM 572 CE LYS A 64 -16.920 -9.646 11.887 1.00 9.51 C ATOM 573 NZ LYS A 64 -17.145 -9.822 10.426 1.00 10.05 N ATOM 0 H LYS A 64 -11.784 -9.886 9.659 1.00 6.06 H new ATOM 0 HA LYS A 64 -11.847 -9.430 11.862 1.00 6.71 H new ATOM 0 HB2 LYS A 64 -13.456 -11.971 12.075 1.00 7.46 H new ATOM 0 HB3 LYS A 64 -13.233 -10.794 13.354 1.00 7.46 H new ATOM 0 HG2 LYS A 64 -14.274 -9.047 11.899 1.00 8.15 H new ATOM 0 HG3 LYS A 64 -14.539 -10.258 10.660 1.00 8.15 H new ATOM 0 HD2 LYS A 64 -15.978 -11.551 12.205 1.00 8.91 H new ATOM 0 HD3 LYS A 64 -15.681 -10.385 13.480 1.00 8.91 H new ATOM 0 HE2 LYS A 64 -17.831 -9.906 12.427 1.00 9.51 H new ATOM 0 HE3 LYS A 64 -16.713 -8.597 12.097 1.00 9.51 H new ATOM 0 HZ1 LYS A 64 -18.035 -9.359 10.154 1.00 10.05 H new ATOM 0 HZ2 LYS A 64 -16.357 -9.394 9.899 1.00 10.05 H new ATOM 0 HZ3 LYS A 64 -17.200 -10.836 10.203 1.00 10.05 H new ATOM 587 N ASP A 65 -9.617 -11.011 11.652 1.00 6.69 N ATOM 588 CA ASP A 65 -8.372 -11.731 11.925 1.00 6.98 C ATOM 589 C ASP A 65 -7.888 -11.534 13.360 1.00 7.54 C ATOM 590 O ASP A 65 -6.950 -12.206 13.793 1.00 7.94 O ATOM 591 CB ASP A 65 -7.282 -11.240 10.958 1.00 7.04 C ATOM 592 CG ASP A 65 -7.787 -11.050 9.534 1.00 7.56 C ATOM 593 OD1 ASP A 65 -8.630 -10.143 9.313 1.00 7.91 O ATOM 594 OD2 ASP A 65 -7.337 -11.785 8.633 1.00 7.87 O ATOM 0 H ASP A 65 -9.515 -10.297 10.931 1.00 6.69 H new ATOM 0 HA ASP A 65 -8.570 -12.794 11.785 1.00 6.98 H new ATOM 0 HB2 ASP A 65 -6.880 -10.295 11.323 1.00 7.04 H new ATOM 0 HB3 ASP A 65 -6.460 -11.956 10.953 1.00 7.04 H new ATOM 599 N VAL A 66 -8.544 -10.609 14.078 1.00 7.81 N ATOM 600 CA VAL A 66 -8.194 -10.216 15.456 1.00 8.51 C ATOM 601 C VAL A 66 -6.685 -10.169 15.713 1.00 8.76 C ATOM 602 O VAL A 66 -6.190 -10.622 16.749 1.00 9.29 O ATOM 603 CB VAL A 66 -8.811 -10.943 16.394 1.00 8.83 C ATOM 604 CG1 VAL A 66 -10.311 -10.686 16.348 1.00 9.35 C ATOM 605 CG2 VAL A 66 -8.534 -12.439 16.288 1.00 8.99 C ATOM 0 H VAL A 66 -9.349 -10.102 13.711 1.00 7.81 H new ATOM 0 HA VAL A 66 -8.569 -9.196 15.541 1.00 8.51 H new ATOM 0 HB VAL A 66 -8.402 -10.622 17.352 1.00 8.83 H new ATOM 0 HG11 VAL A 66 -10.806 -11.282 17.115 1.00 9.35 H new ATOM 0 HG12 VAL A 66 -10.505 -9.629 16.529 1.00 9.35 H new ATOM 0 HG13 VAL A 66 -10.698 -10.963 15.367 1.00 9.35 H new ATOM 0 HG21 VAL A 66 -9.067 -12.965 17.080 1.00 8.99 H new ATOM 0 HG22 VAL A 66 -8.873 -12.804 15.319 1.00 8.99 H new ATOM 0 HG23 VAL A 66 -7.464 -12.619 16.389 1.00 8.99 H new ATOM 615 N ALA A 67 -5.957 -9.608 14.756 1.00 8.55 N ATOM 616 CA ALA A 67 -4.532 -9.375 14.910 1.00 8.92 C ATOM 617 C ALA A 67 -4.277 -7.877 15.022 1.00 9.09 C ATOM 618 O ALA A 67 -4.311 -7.170 14.017 1.00 9.14 O ATOM 619 CB ALA A 67 -3.761 -9.966 13.738 1.00 9.16 C ATOM 0 H ALA A 67 -6.336 -9.305 13.859 1.00 8.55 H new ATOM 0 HA ALA A 67 -4.184 -9.867 15.818 1.00 8.92 H new ATOM 0 HB1 ALA A 67 -2.695 -9.780 13.873 1.00 9.16 H new ATOM 0 HB2 ALA A 67 -3.939 -11.040 13.690 1.00 9.16 H new ATOM 0 HB3 ALA A 67 -4.096 -9.501 12.811 1.00 9.16 H new ATOM 625 N PRO A 68 -4.032 -7.389 16.252 1.00 9.42 N ATOM 626 CA PRO A 68 -3.925 -5.956 16.566 1.00 9.81 C ATOM 627 C PRO A 68 -3.163 -5.142 15.522 1.00 10.00 C ATOM 628 O PRO A 68 -1.959 -5.316 15.328 1.00 10.26 O ATOM 629 CB PRO A 68 -3.174 -5.956 17.891 1.00 10.35 C ATOM 630 CG PRO A 68 -3.613 -7.210 18.558 1.00 10.29 C ATOM 631 CD PRO A 68 -3.820 -8.218 17.456 1.00 9.70 C ATOM 0 HA PRO A 68 -4.907 -5.484 16.595 1.00 9.81 H new ATOM 0 HB2 PRO A 68 -2.095 -5.943 17.737 1.00 10.35 H new ATOM 0 HB3 PRO A 68 -3.421 -5.079 18.489 1.00 10.35 H new ATOM 0 HG2 PRO A 68 -2.863 -7.557 19.268 1.00 10.29 H new ATOM 0 HG3 PRO A 68 -4.534 -7.051 19.119 1.00 10.29 H new ATOM 0 HD2 PRO A 68 -2.955 -8.871 17.344 1.00 9.70 H new ATOM 0 HD3 PRO A 68 -4.679 -8.858 17.656 1.00 9.70 H new ATOM 639 N CYS A 69 -3.887 -4.263 14.847 1.00 10.09 N ATOM 640 CA CYS A 69 -3.309 -3.384 13.848 1.00 10.43 C ATOM 641 C CYS A 69 -3.083 -2.012 14.462 1.00 10.35 C ATOM 642 O CYS A 69 -4.017 -1.410 14.994 1.00 10.58 O ATOM 643 CB CYS A 69 -4.235 -3.232 12.625 1.00 10.98 C ATOM 644 SG CYS A 69 -4.968 -4.782 11.992 1.00 11.49 S ATOM 0 H CYS A 69 -4.891 -4.140 14.978 1.00 10.09 H new ATOM 0 HA CYS A 69 -2.367 -3.822 13.517 1.00 10.43 H new ATOM 0 HB2 CYS A 69 -5.043 -2.549 12.886 1.00 10.98 H new ATOM 0 HB3 CYS A 69 -3.670 -2.763 11.820 1.00 10.98 H new ATOM 649 N THR A 70 -1.844 -1.534 14.410 1.00 10.23 N ATOM 650 CA THR A 70 -1.531 -0.184 14.844 1.00 10.31 C ATOM 651 C THR A 70 -2.439 0.809 14.123 1.00 10.28 C ATOM 652 O THR A 70 -3.121 1.619 14.749 1.00 10.36 O ATOM 653 CB THR A 70 -0.273 0.098 14.578 1.00 10.47 C ATOM 654 OG1 THR A 70 0.549 -1.040 14.890 1.00 10.95 O ATOM 655 CG2 THR A 70 0.207 1.306 15.367 1.00 10.51 C ATOM 0 H THR A 70 -1.042 -2.065 14.071 1.00 10.23 H new ATOM 0 HA THR A 70 -1.692 -0.112 15.920 1.00 10.31 H new ATOM 0 HB THR A 70 -0.196 0.337 13.517 1.00 10.47 H new ATOM 0 HG1 THR A 70 1.486 -0.832 14.691 1.00 10.95 H new ATOM 0 HG21 THR A 70 1.249 1.510 15.122 1.00 10.51 H new ATOM 0 HG22 THR A 70 -0.402 2.173 15.111 1.00 10.51 H new ATOM 0 HG23 THR A 70 0.118 1.102 16.434 1.00 10.51 H new ATOM 663 N ASP A 71 -2.468 0.692 12.801 1.00 10.38 N ATOM 664 CA ASP A 71 -3.385 1.456 11.964 1.00 10.55 C ATOM 665 C ASP A 71 -3.376 0.877 10.559 1.00 10.46 C ATOM 666 O ASP A 71 -4.336 0.243 10.124 1.00 10.82 O ATOM 667 CB ASP A 71 -2.996 2.935 11.921 1.00 11.00 C ATOM 668 CG ASP A 71 -3.925 3.743 11.039 1.00 11.33 C ATOM 669 OD1 ASP A 71 -4.967 4.212 11.542 1.00 11.56 O ATOM 670 OD2 ASP A 71 -3.610 3.914 9.840 1.00 11.54 O ATOM 0 H ASP A 71 -1.856 0.065 12.279 1.00 10.38 H new ATOM 0 HA ASP A 71 -4.386 1.387 12.390 1.00 10.55 H new ATOM 0 HB2 ASP A 71 -3.011 3.343 12.932 1.00 11.00 H new ATOM 0 HB3 ASP A 71 -1.974 3.030 11.554 1.00 11.00 H new ATOM 675 N SER A 72 -2.266 1.076 9.875 1.00 10.16 N ATOM 676 CA SER A 72 -2.059 0.512 8.557 1.00 10.18 C ATOM 677 C SER A 72 -0.760 -0.298 8.566 1.00 9.81 C ATOM 678 O SER A 72 0.135 -0.010 9.362 1.00 9.67 O ATOM 679 CB SER A 72 -1.998 1.635 7.516 1.00 10.51 C ATOM 680 OG SER A 72 -3.164 2.444 7.558 1.00 10.96 O ATOM 0 H SER A 72 -1.483 1.633 10.218 1.00 10.16 H new ATOM 0 HA SER A 72 -2.887 -0.147 8.294 1.00 10.18 H new ATOM 0 HB2 SER A 72 -1.118 2.253 7.696 1.00 10.51 H new ATOM 0 HB3 SER A 72 -1.887 1.205 6.521 1.00 10.51 H new ATOM 0 HG SER A 72 -3.199 2.924 8.412 1.00 10.96 H new ATOM 686 N PRO A 73 -0.638 -1.320 7.698 1.00 9.90 N ATOM 687 CA PRO A 73 0.530 -2.221 7.662 1.00 9.80 C ATOM 688 C PRO A 73 1.782 -1.573 7.058 1.00 9.46 C ATOM 689 O PRO A 73 2.539 -2.229 6.336 1.00 9.61 O ATOM 690 CB PRO A 73 0.058 -3.389 6.774 1.00 10.31 C ATOM 691 CG PRO A 73 -1.406 -3.171 6.554 1.00 10.68 C ATOM 692 CD PRO A 73 -1.628 -1.696 6.686 1.00 10.39 C ATOM 0 HA PRO A 73 0.830 -2.514 8.668 1.00 9.80 H new ATOM 0 HB2 PRO A 73 0.598 -3.403 5.827 1.00 10.31 H new ATOM 0 HB3 PRO A 73 0.242 -4.348 7.259 1.00 10.31 H new ATOM 0 HG2 PRO A 73 -1.709 -3.525 5.569 1.00 10.68 H new ATOM 0 HG3 PRO A 73 -1.997 -3.722 7.286 1.00 10.68 H new ATOM 0 HD2 PRO A 73 -1.464 -1.174 5.743 1.00 10.39 H new ATOM 0 HD3 PRO A 73 -2.644 -1.465 7.006 1.00 10.39 H new ATOM 700 N GLU A 74 2.010 -0.305 7.402 1.00 9.22 N ATOM 701 CA GLU A 74 3.139 0.474 6.889 1.00 9.06 C ATOM 702 C GLU A 74 3.016 0.711 5.383 1.00 8.23 C ATOM 703 O GLU A 74 2.027 0.314 4.762 1.00 8.21 O ATOM 704 CB GLU A 74 4.477 -0.206 7.211 1.00 9.74 C ATOM 705 CG GLU A 74 4.751 -0.355 8.699 1.00 10.53 C ATOM 706 CD GLU A 74 4.635 0.957 9.450 1.00 11.29 C ATOM 707 OE1 GLU A 74 5.324 1.927 9.077 1.00 11.57 O ATOM 708 OE2 GLU A 74 3.863 1.018 10.431 1.00 11.76 O ATOM 0 H GLU A 74 1.414 0.214 8.047 1.00 9.22 H new ATOM 0 HA GLU A 74 3.115 1.442 7.390 1.00 9.06 H new ATOM 0 HB2 GLU A 74 4.492 -1.193 6.748 1.00 9.74 H new ATOM 0 HB3 GLU A 74 5.284 0.370 6.759 1.00 9.74 H new ATOM 0 HG2 GLU A 74 4.051 -1.075 9.123 1.00 10.53 H new ATOM 0 HG3 GLU A 74 5.752 -0.763 8.841 1.00 10.53 H new ATOM 715 N PHE A 75 4.013 1.401 4.823 1.00 7.77 N ATOM 716 CA PHE A 75 4.086 1.668 3.382 1.00 7.11 C ATOM 717 C PHE A 75 2.945 2.571 2.929 1.00 6.04 C ATOM 718 O PHE A 75 2.581 2.594 1.753 1.00 6.09 O ATOM 719 CB PHE A 75 4.081 0.359 2.581 1.00 7.64 C ATOM 720 CG PHE A 75 5.270 -0.519 2.848 1.00 8.33 C ATOM 721 CD1 PHE A 75 5.162 -1.618 3.682 1.00 8.82 C ATOM 722 CD2 PHE A 75 6.495 -0.239 2.266 1.00 8.70 C ATOM 723 CE1 PHE A 75 6.255 -2.425 3.932 1.00 9.64 C ATOM 724 CE2 PHE A 75 7.593 -1.042 2.511 1.00 9.54 C ATOM 725 CZ PHE A 75 7.467 -2.148 3.337 1.00 10.00 C ATOM 0 H PHE A 75 4.792 1.790 5.354 1.00 7.77 H new ATOM 0 HA PHE A 75 5.026 2.186 3.191 1.00 7.11 H new ATOM 0 HB2 PHE A 75 3.172 -0.195 2.814 1.00 7.64 H new ATOM 0 HB3 PHE A 75 4.047 0.595 1.517 1.00 7.64 H new ATOM 0 HD1 PHE A 75 4.212 -1.847 4.143 1.00 8.82 H new ATOM 0 HD2 PHE A 75 6.593 0.616 1.614 1.00 8.70 H new ATOM 0 HE1 PHE A 75 6.160 -3.273 4.594 1.00 9.64 H new ATOM 0 HE2 PHE A 75 8.546 -0.808 2.060 1.00 9.54 H new ATOM 0 HZ PHE A 75 8.316 -2.791 3.514 1.00 10.00 H new ATOM 735 N TYR A 76 2.407 3.336 3.863 1.00 5.40 N ATOM 736 CA TYR A 76 1.307 4.232 3.567 1.00 4.59 C ATOM 737 C TYR A 76 1.746 5.684 3.705 1.00 3.79 C ATOM 738 O TYR A 76 2.550 6.020 4.577 1.00 3.92 O ATOM 739 CB TYR A 76 0.113 3.940 4.486 1.00 4.75 C ATOM 740 CG TYR A 76 0.387 4.154 5.964 1.00 5.22 C ATOM 741 CD1 TYR A 76 0.956 3.149 6.738 1.00 5.71 C ATOM 742 CD2 TYR A 76 0.087 5.362 6.581 1.00 5.53 C ATOM 743 CE1 TYR A 76 1.219 3.343 8.079 1.00 6.42 C ATOM 744 CE2 TYR A 76 0.346 5.562 7.926 1.00 6.25 C ATOM 745 CZ TYR A 76 0.865 4.543 8.679 1.00 6.65 C ATOM 746 OH TYR A 76 1.186 4.744 10.004 1.00 7.53 O ATOM 0 H TYR A 76 2.716 3.353 4.835 1.00 5.40 H new ATOM 0 HA TYR A 76 0.996 4.065 2.536 1.00 4.59 H new ATOM 0 HB2 TYR A 76 -0.722 4.575 4.189 1.00 4.75 H new ATOM 0 HB3 TYR A 76 -0.202 2.908 4.334 1.00 4.75 H new ATOM 0 HD1 TYR A 76 1.196 2.200 6.282 1.00 5.71 H new ATOM 0 HD2 TYR A 76 -0.356 6.159 6.001 1.00 5.53 H new ATOM 0 HE1 TYR A 76 1.697 2.566 8.657 1.00 6.42 H new ATOM 0 HE2 TYR A 76 0.139 6.520 8.380 1.00 6.25 H new ATOM 0 HH TYR A 76 0.876 5.630 10.285 1.00 7.53 H new ATOM 756 N GLY A 77 1.224 6.534 2.839 1.00 3.20 N ATOM 757 CA GLY A 77 1.542 7.942 2.900 1.00 2.71 C ATOM 758 C GLY A 77 0.369 8.757 3.405 1.00 1.94 C ATOM 759 O GLY A 77 -0.475 9.182 2.615 1.00 2.44 O ATOM 0 H GLY A 77 0.582 6.272 2.091 1.00 3.20 H new ATOM 0 HA2 GLY A 77 2.400 8.094 3.555 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.831 8.294 1.910 1.00 2.71 H new ATOM 763 N LYS A 78 0.316 8.951 4.726 1.00 1.39 N ATOM 764 CA LYS A 78 -0.755 9.710 5.369 1.00 1.29 C ATOM 765 C LYS A 78 -2.111 9.052 5.096 1.00 1.03 C ATOM 766 O LYS A 78 -3.133 9.724 4.986 1.00 1.02 O ATOM 767 CB LYS A 78 -0.742 11.161 4.866 1.00 2.10 C ATOM 768 CG LYS A 78 -1.422 12.148 5.798 1.00 2.61 C ATOM 769 CD LYS A 78 -0.666 12.290 7.110 1.00 3.18 C ATOM 770 CE LYS A 78 -1.332 13.300 8.032 1.00 3.78 C ATOM 771 NZ LYS A 78 -1.423 14.648 7.413 1.00 4.14 N ATOM 0 H LYS A 78 1.013 8.587 5.376 1.00 1.39 H new ATOM 0 HA LYS A 78 -0.591 9.715 6.447 1.00 1.29 H new ATOM 0 HB2 LYS A 78 0.292 11.473 4.716 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -1.231 11.201 3.893 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -1.492 13.120 5.311 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -2.441 11.817 5.998 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -0.614 11.321 7.607 1.00 3.18 H new ATOM 0 HD3 LYS A 78 0.359 12.601 6.908 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -2.332 12.951 8.289 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -0.769 13.366 8.963 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -1.943 15.287 8.048 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -0.466 15.022 7.253 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -1.924 14.580 6.504 1.00 4.14 H new ATOM 785 N PHE A 79 -2.105 7.720 5.050 1.00 0.95 N ATOM 786 CA PHE A 79 -3.270 6.930 4.644 1.00 0.77 C ATOM 787 C PHE A 79 -4.550 7.356 5.359 1.00 0.70 C ATOM 788 O PHE A 79 -5.626 7.400 4.731 1.00 0.64 O ATOM 789 CB PHE A 79 -3.014 5.441 4.904 1.00 0.88 C ATOM 790 CG PHE A 79 -4.073 4.536 4.336 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.083 4.028 5.138 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.057 4.200 2.995 1.00 0.78 C ATOM 793 CE1 PHE A 79 -6.057 3.202 4.607 1.00 0.85 C ATOM 794 CE2 PHE A 79 -5.026 3.374 2.460 1.00 0.84 C ATOM 795 CZ PHE A 79 -6.026 2.875 3.265 1.00 0.82 C ATOM 0 H PHE A 79 -1.291 7.156 5.294 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.414 7.108 3.578 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.049 5.168 4.478 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -2.946 5.276 5.979 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.110 4.280 6.188 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.277 4.589 2.357 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.841 2.813 5.240 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -5.000 3.119 1.411 1.00 0.84 H new ATOM 0 HZ PHE A 79 -6.785 2.229 2.848 1.00 0.82 H new ATOM 805 N LYS A 80 -4.428 7.709 6.648 1.00 0.82 N ATOM 806 CA LYS A 80 -5.604 7.961 7.475 1.00 0.89 C ATOM 807 C LYS A 80 -6.284 9.256 7.040 1.00 0.81 C ATOM 808 O LYS A 80 -7.512 9.353 7.010 1.00 0.87 O ATOM 809 CB LYS A 80 -5.219 8.013 8.957 1.00 1.12 C ATOM 810 CG LYS A 80 -6.409 7.959 9.901 1.00 1.66 C ATOM 811 CD LYS A 80 -5.963 7.941 11.352 1.00 2.17 C ATOM 812 CE LYS A 80 -7.141 7.789 12.304 1.00 2.87 C ATOM 813 NZ LYS A 80 -8.121 8.899 12.162 1.00 3.48 N ATOM 0 H LYS A 80 -3.536 7.824 7.130 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.310 7.141 7.341 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -4.552 7.180 9.179 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -4.659 8.929 9.146 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -7.053 8.821 9.727 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -7.003 7.070 9.690 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -5.263 7.120 11.507 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -5.429 8.863 11.579 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -7.640 6.839 12.114 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -6.776 7.758 13.330 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -8.814 8.851 12.936 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -7.621 9.810 12.200 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -8.614 8.813 11.250 1.00 3.48 H new ATOM 827 N GLU A 81 -5.471 10.230 6.664 1.00 0.78 N ATOM 828 CA GLU A 81 -5.968 11.493 6.155 1.00 0.78 C ATOM 829 C GLU A 81 -6.342 11.329 4.693 1.00 0.62 C ATOM 830 O GLU A 81 -7.281 11.949 4.210 1.00 0.64 O ATOM 831 CB GLU A 81 -4.905 12.585 6.315 1.00 0.96 C ATOM 832 CG GLU A 81 -5.275 13.913 5.674 1.00 1.53 C ATOM 833 CD GLU A 81 -4.200 14.963 5.852 1.00 2.31 C ATOM 834 OE1 GLU A 81 -3.111 14.823 5.257 1.00 3.07 O ATOM 835 OE2 GLU A 81 -4.434 15.942 6.586 1.00 2.63 O ATOM 0 H GLU A 81 -4.454 10.166 6.704 1.00 0.78 H new ATOM 0 HA GLU A 81 -6.850 11.791 6.722 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.722 12.746 7.377 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -3.970 12.232 5.880 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -5.457 13.761 4.610 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -6.207 14.275 6.108 1.00 1.53 H new ATOM 842 N GLY A 82 -5.615 10.454 4.008 1.00 0.55 N ATOM 843 CA GLY A 82 -5.843 10.206 2.615 1.00 0.47 C ATOM 844 C GLY A 82 -7.252 9.734 2.351 1.00 0.46 C ATOM 845 O GLY A 82 -7.937 10.226 1.447 1.00 0.49 O ATOM 0 H GLY A 82 -4.857 9.905 4.413 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.653 11.117 2.048 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.136 9.456 2.259 1.00 0.47 H new ATOM 849 N VAL A 83 -7.681 8.789 3.171 1.00 0.51 N ATOM 850 CA VAL A 83 -9.008 8.199 3.058 1.00 0.61 C ATOM 851 C VAL A 83 -10.079 9.213 3.439 1.00 0.70 C ATOM 852 O VAL A 83 -11.050 9.416 2.710 1.00 0.79 O ATOM 853 CB VAL A 83 -9.113 7.145 3.851 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.501 6.516 3.754 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.046 6.108 3.540 1.00 0.69 C ATOM 0 H VAL A 83 -7.121 8.408 3.934 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.152 7.893 2.022 1.00 0.61 H new ATOM 0 HB VAL A 83 -8.963 7.495 4.872 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -10.556 5.652 4.417 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.253 7.248 4.048 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -10.685 6.198 2.728 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.161 5.256 4.209 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.152 5.775 2.507 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.059 6.548 3.680 1.00 0.69 H new ATOM 865 N ALA A 84 -9.857 9.898 4.552 1.00 0.76 N ATOM 866 CA ALA A 84 -10.853 10.810 5.095 1.00 0.94 C ATOM 867 C ALA A 84 -10.949 12.060 4.245 1.00 0.88 C ATOM 868 O ALA A 84 -12.002 12.691 4.157 1.00 1.07 O ATOM 869 CB ALA A 84 -10.524 11.165 6.535 1.00 1.12 C ATOM 0 H ALA A 84 -8.996 9.839 5.096 1.00 0.76 H new ATOM 0 HA ALA A 84 -11.821 10.310 5.079 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -11.280 11.848 6.923 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -10.509 10.258 7.139 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -9.546 11.645 6.577 1.00 1.12 H new ATOM 875 N SER A 85 -9.842 12.402 3.614 1.00 0.76 N ATOM 876 CA SER A 85 -9.817 13.510 2.670 1.00 0.84 C ATOM 877 C SER A 85 -10.606 13.125 1.420 1.00 0.94 C ATOM 878 O SER A 85 -11.108 13.980 0.695 1.00 1.22 O ATOM 879 CB SER A 85 -8.369 13.874 2.313 1.00 1.19 C ATOM 880 OG SER A 85 -8.291 15.126 1.649 1.00 1.88 O ATOM 0 H SER A 85 -8.946 11.930 3.736 1.00 0.76 H new ATOM 0 HA SER A 85 -10.279 14.386 3.124 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.767 13.906 3.221 1.00 1.19 H new ATOM 0 HB3 SER A 85 -7.945 13.097 1.676 1.00 1.19 H new ATOM 0 HG SER A 85 -7.356 15.417 1.608 1.00 1.88 H new ATOM 886 N GLY A 86 -10.717 11.818 1.187 1.00 0.96 N ATOM 887 CA GLY A 86 -11.516 11.317 0.088 1.00 1.46 C ATOM 888 C GLY A 86 -10.790 11.402 -1.228 1.00 1.21 C ATOM 889 O GLY A 86 -11.408 11.347 -2.293 1.00 1.66 O ATOM 0 H GLY A 86 -10.263 11.096 1.746 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.790 10.280 0.283 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.444 11.886 0.027 1.00 1.46 H new ATOM 893 N ASN A 87 -9.473 11.514 -1.157 1.00 0.66 N ATOM 894 CA ASN A 87 -8.662 11.707 -2.354 1.00 0.67 C ATOM 895 C ASN A 87 -7.197 11.404 -2.083 1.00 0.52 C ATOM 896 O ASN A 87 -6.323 12.243 -2.292 1.00 0.72 O ATOM 897 CB ASN A 87 -8.835 13.135 -2.915 1.00 0.95 C ATOM 898 CG ASN A 87 -8.691 14.245 -1.873 1.00 1.40 C ATOM 899 OD1 ASN A 87 -9.395 15.252 -1.934 1.00 2.08 O ATOM 900 ND2 ASN A 87 -7.758 14.103 -0.947 1.00 1.72 N ATOM 0 H ASN A 87 -8.942 11.475 -0.287 1.00 0.66 H new ATOM 0 HA ASN A 87 -9.013 11.003 -3.108 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -8.098 13.295 -3.702 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.819 13.214 -3.378 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -7.607 14.840 -0.258 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -7.190 13.256 -0.921 1.00 1.72 H new ATOM 907 N LEU A 88 -6.940 10.206 -1.593 1.00 0.40 N ATOM 908 CA LEU A 88 -5.584 9.768 -1.336 1.00 0.32 C ATOM 909 C LEU A 88 -4.820 9.572 -2.630 1.00 0.30 C ATOM 910 O LEU A 88 -4.827 8.489 -3.196 1.00 0.34 O ATOM 911 CB LEU A 88 -5.588 8.464 -0.562 1.00 0.37 C ATOM 912 CG LEU A 88 -4.487 8.362 0.463 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.685 7.138 1.342 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.108 8.336 -0.181 1.00 0.48 C ATOM 0 H LEU A 88 -7.657 9.517 -1.365 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.093 10.543 -0.748 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.550 8.352 -0.061 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.496 7.635 -1.264 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.541 9.256 1.084 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -3.880 7.082 2.075 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.642 7.212 1.859 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.675 6.240 0.724 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.346 8.262 0.594 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.033 7.476 -0.847 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.956 9.251 -0.753 1.00 0.48 H new ATOM 926 N ASN A 89 -4.189 10.622 -3.100 1.00 0.32 N ATOM 927 CA ASN A 89 -3.346 10.536 -4.274 1.00 0.34 C ATOM 928 C ASN A 89 -2.138 11.444 -4.093 1.00 0.40 C ATOM 929 O ASN A 89 -2.234 12.660 -4.264 1.00 0.50 O ATOM 930 CB ASN A 89 -4.153 10.904 -5.527 1.00 0.41 C ATOM 931 CG ASN A 89 -3.293 11.029 -6.777 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.269 10.357 -6.917 1.00 2.01 O ATOM 933 ND2 ASN A 89 -3.704 11.887 -7.699 1.00 1.62 N ATOM 0 H ASN A 89 -4.243 11.553 -2.686 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.988 9.515 -4.403 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.918 10.146 -5.694 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.671 11.847 -5.354 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -3.168 12.008 -8.558 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -4.557 12.427 -7.550 1.00 1.62 H new ATOM 940 N THR A 90 -1.001 10.854 -3.727 1.00 0.39 N ATOM 941 CA THR A 90 0.180 11.630 -3.411 1.00 0.50 C ATOM 942 C THR A 90 1.439 10.795 -3.601 1.00 0.55 C ATOM 943 O THR A 90 1.383 9.562 -3.652 1.00 0.69 O ATOM 944 CB THR A 90 0.113 12.104 -2.167 1.00 0.68 C ATOM 945 OG1 THR A 90 1.158 13.059 -1.926 1.00 1.67 O ATOM 946 CG2 THR A 90 0.184 10.991 -1.126 1.00 1.22 C ATOM 0 H THR A 90 -0.880 9.845 -3.644 1.00 0.39 H new ATOM 0 HA THR A 90 0.225 12.476 -4.097 1.00 0.50 H new ATOM 0 HB THR A 90 -0.854 12.597 -2.069 1.00 0.68 H new ATOM 0 HG1 THR A 90 1.089 13.395 -1.008 1.00 1.67 H new ATOM 0 HG21 THR A 90 0.126 11.423 -0.127 1.00 1.22 H new ATOM 0 HG22 THR A 90 -0.648 10.302 -1.272 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.125 10.451 -1.234 1.00 1.22 H new ATOM 954 N MET A 91 2.557 11.475 -3.786 1.00 0.72 N ATOM 955 CA MET A 91 3.847 10.820 -3.898 1.00 1.00 C ATOM 956 C MET A 91 4.826 11.401 -2.893 1.00 0.88 C ATOM 957 O MET A 91 5.037 12.615 -2.837 1.00 0.92 O ATOM 958 CB MET A 91 4.410 10.934 -5.319 1.00 1.53 C ATOM 959 CG MET A 91 4.410 12.353 -5.870 1.00 2.33 C ATOM 960 SD MET A 91 5.007 12.446 -7.566 1.00 3.24 S ATOM 961 CE MET A 91 4.933 14.215 -7.842 1.00 3.94 C ATOM 0 H MET A 91 2.596 12.491 -3.862 1.00 0.72 H new ATOM 0 HA MET A 91 3.704 9.762 -3.679 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.431 10.552 -5.327 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.826 10.297 -5.983 1.00 1.53 H new ATOM 0 HG2 MET A 91 3.398 12.755 -5.824 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.033 12.984 -5.236 1.00 2.33 H new ATOM 0 HE1 MET A 91 5.272 14.440 -8.853 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.906 14.560 -7.719 1.00 3.94 H new ATOM 0 HE3 MET A 91 5.575 14.723 -7.122 1.00 3.94 H new ATOM 971 N PHE A 92 5.415 10.529 -2.100 1.00 0.98 N ATOM 972 CA PHE A 92 6.339 10.942 -1.065 1.00 1.01 C ATOM 973 C PHE A 92 7.427 9.895 -0.899 1.00 0.90 C ATOM 974 O PHE A 92 7.143 8.704 -0.792 1.00 0.85 O ATOM 975 CB PHE A 92 5.591 11.149 0.256 1.00 1.24 C ATOM 976 CG PHE A 92 6.473 11.555 1.406 1.00 1.49 C ATOM 977 CD1 PHE A 92 6.963 12.848 1.495 1.00 1.94 C ATOM 978 CD2 PHE A 92 6.814 10.644 2.394 1.00 1.58 C ATOM 979 CE1 PHE A 92 7.773 13.226 2.548 1.00 2.47 C ATOM 980 CE2 PHE A 92 7.625 11.017 3.450 1.00 2.01 C ATOM 981 CZ PHE A 92 8.098 12.299 3.535 1.00 2.46 C ATOM 0 H PHE A 92 5.268 9.521 -2.154 1.00 0.98 H new ATOM 0 HA PHE A 92 6.801 11.886 -1.354 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.826 11.912 0.112 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.075 10.225 0.517 1.00 1.24 H new ATOM 0 HD1 PHE A 92 6.709 13.569 0.732 1.00 1.94 H new ATOM 0 HD2 PHE A 92 6.442 9.632 2.338 1.00 1.58 H new ATOM 0 HE1 PHE A 92 8.152 14.236 2.606 1.00 2.47 H new ATOM 0 HE2 PHE A 92 7.886 10.295 4.210 1.00 2.01 H new ATOM 0 HZ PHE A 92 8.722 12.591 4.366 1.00 2.46 H new ATOM 991 N GLU A 93 8.667 10.333 -0.904 1.00 0.98 N ATOM 992 CA GLU A 93 9.776 9.425 -0.706 1.00 0.97 C ATOM 993 C GLU A 93 10.339 9.582 0.695 1.00 1.21 C ATOM 994 O GLU A 93 10.655 10.695 1.135 1.00 1.50 O ATOM 995 CB GLU A 93 10.860 9.646 -1.764 1.00 1.18 C ATOM 996 CG GLU A 93 11.381 11.067 -1.854 1.00 1.33 C ATOM 997 CD GLU A 93 12.304 11.259 -3.034 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.416 10.695 -3.018 1.00 1.97 O ATOM 999 OE2 GLU A 93 11.933 11.988 -3.976 1.00 1.92 O ATOM 0 H GLU A 93 8.932 11.308 -1.042 1.00 0.98 H new ATOM 0 HA GLU A 93 9.411 8.404 -0.817 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.696 8.980 -1.551 1.00 1.18 H new ATOM 0 HB3 GLU A 93 10.462 9.358 -2.737 1.00 1.18 H new ATOM 0 HG2 GLU A 93 10.541 11.756 -1.935 1.00 1.33 H new ATOM 0 HG3 GLU A 93 11.911 11.317 -0.935 1.00 1.33 H new ATOM 1006 N TYR A 94 10.440 8.467 1.402 1.00 1.23 N ATOM 1007 CA TYR A 94 10.988 8.472 2.741 1.00 1.60 C ATOM 1008 C TYR A 94 12.174 7.532 2.796 1.00 1.67 C ATOM 1009 O TYR A 94 12.034 6.323 2.952 1.00 1.62 O ATOM 1010 CB TYR A 94 9.922 8.127 3.798 1.00 1.88 C ATOM 1011 CG TYR A 94 9.096 6.887 3.516 1.00 2.23 C ATOM 1012 CD1 TYR A 94 9.354 5.689 4.172 1.00 2.63 C ATOM 1013 CD2 TYR A 94 8.074 6.910 2.573 1.00 2.62 C ATOM 1014 CE1 TYR A 94 8.616 4.553 3.900 1.00 3.18 C ATOM 1015 CE2 TYR A 94 7.330 5.779 2.298 1.00 3.33 C ATOM 1016 CZ TYR A 94 7.554 4.620 3.036 1.00 3.51 C ATOM 1017 OH TYR A 94 6.867 3.471 2.694 1.00 4.29 O ATOM 0 H TYR A 94 10.148 7.549 1.067 1.00 1.23 H new ATOM 0 HA TYR A 94 11.329 9.479 2.982 1.00 1.60 H new ATOM 0 HB2 TYR A 94 10.418 8.000 4.760 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.247 8.977 3.897 1.00 1.88 H new ATOM 0 HD1 TYR A 94 10.145 5.645 4.907 1.00 2.63 H new ATOM 0 HD2 TYR A 94 7.858 7.828 2.047 1.00 2.62 H new ATOM 0 HE1 TYR A 94 8.875 3.614 4.367 1.00 3.18 H new ATOM 0 HE2 TYR A 94 6.582 5.794 1.519 1.00 3.33 H new ATOM 0 HH TYR A 94 6.104 3.703 2.125 1.00 4.29 H new ATOM 1027 N THR A 95 13.347 8.099 2.599 1.00 1.95 N ATOM 1028 CA THR A 95 14.551 7.318 2.549 1.00 2.19 C ATOM 1029 C THR A 95 15.186 7.209 3.935 1.00 2.45 C ATOM 1030 O THR A 95 15.196 8.178 4.698 1.00 2.63 O ATOM 1031 CB THR A 95 15.409 7.816 1.660 1.00 2.45 C ATOM 1032 OG1 THR A 95 16.567 6.985 1.558 1.00 2.89 O ATOM 1033 CG2 THR A 95 15.827 9.243 1.988 1.00 2.83 C ATOM 0 H THR A 95 13.485 9.102 2.471 1.00 1.95 H new ATOM 0 HA THR A 95 14.288 6.312 2.223 1.00 2.19 H new ATOM 0 HB THR A 95 14.889 7.838 0.702 1.00 2.45 H new ATOM 0 HG1 THR A 95 17.021 6.948 2.426 1.00 2.89 H new ATOM 0 HG21 THR A 95 16.526 9.600 1.232 1.00 2.83 H new ATOM 0 HG22 THR A 95 14.947 9.886 2.001 1.00 2.83 H new ATOM 0 HG23 THR A 95 16.307 9.266 2.966 1.00 2.83 H new ATOM 1041 N PHE A 96 15.616 5.995 4.278 1.00 2.62 N ATOM 1042 CA PHE A 96 16.303 5.729 5.542 1.00 3.02 C ATOM 1043 C PHE A 96 15.439 6.164 6.726 1.00 3.39 C ATOM 1044 O PHE A 96 15.767 7.106 7.451 1.00 3.84 O ATOM 1045 CB PHE A 96 17.678 6.423 5.567 1.00 3.29 C ATOM 1046 CG PHE A 96 18.672 5.846 4.584 1.00 3.71 C ATOM 1047 CD1 PHE A 96 20.018 5.763 4.904 1.00 4.45 C ATOM 1048 CD2 PHE A 96 18.257 5.376 3.347 1.00 3.78 C ATOM 1049 CE1 PHE A 96 20.924 5.220 4.008 1.00 5.24 C ATOM 1050 CE2 PHE A 96 19.152 4.837 2.450 1.00 4.50 C ATOM 1051 CZ PHE A 96 20.491 4.757 2.779 1.00 5.25 C ATOM 0 H PHE A 96 15.498 5.170 3.689 1.00 2.62 H new ATOM 0 HA PHE A 96 16.469 4.655 5.628 1.00 3.02 H new ATOM 0 HB2 PHE A 96 17.543 7.483 5.353 1.00 3.29 H new ATOM 0 HB3 PHE A 96 18.092 6.351 6.573 1.00 3.29 H new ATOM 0 HD1 PHE A 96 20.364 6.125 5.861 1.00 4.45 H new ATOM 0 HD2 PHE A 96 17.212 5.434 3.082 1.00 3.78 H new ATOM 0 HE1 PHE A 96 21.970 5.158 4.270 1.00 5.24 H new ATOM 0 HE2 PHE A 96 18.808 4.478 1.491 1.00 4.50 H new ATOM 0 HZ PHE A 96 21.197 4.335 2.079 1.00 5.25 H new ATOM 1061 N ASP A 97 14.320 5.471 6.897 1.00 3.71 N ATOM 1062 CA ASP A 97 13.336 5.823 7.910 1.00 4.37 C ATOM 1063 C ASP A 97 13.651 5.152 9.250 1.00 4.59 C ATOM 1064 O ASP A 97 14.810 4.875 9.563 1.00 4.90 O ATOM 1065 CB ASP A 97 11.936 5.415 7.428 1.00 5.00 C ATOM 1066 CG ASP A 97 11.755 3.909 7.369 1.00 5.62 C ATOM 1067 OD1 ASP A 97 12.344 3.271 6.476 1.00 5.98 O ATOM 1068 OD2 ASP A 97 11.033 3.366 8.238 1.00 6.06 O ATOM 0 H ASP A 97 14.071 4.654 6.340 1.00 3.71 H new ATOM 0 HA ASP A 97 13.370 6.902 8.064 1.00 4.37 H new ATOM 0 HB2 ASP A 97 11.187 5.841 8.096 1.00 5.00 H new ATOM 0 HB3 ASP A 97 11.759 5.838 6.439 1.00 5.00 H new ATOM 1073 N TYR A 98 12.610 4.901 10.036 1.00 4.86 N ATOM 1074 CA TYR A 98 12.753 4.317 11.364 1.00 5.39 C ATOM 1075 C TYR A 98 13.032 2.819 11.272 1.00 5.39 C ATOM 1076 O TYR A 98 13.397 2.182 12.264 1.00 5.65 O ATOM 1077 CB TYR A 98 11.483 4.562 12.182 1.00 6.08 C ATOM 1078 CG TYR A 98 11.054 6.013 12.214 1.00 6.83 C ATOM 1079 CD1 TYR A 98 11.779 6.957 12.932 1.00 7.42 C ATOM 1080 CD2 TYR A 98 9.921 6.433 11.534 1.00 7.24 C ATOM 1081 CE1 TYR A 98 11.383 8.280 12.969 1.00 8.35 C ATOM 1082 CE2 TYR A 98 9.522 7.754 11.565 1.00 8.16 C ATOM 1083 CZ TYR A 98 10.275 8.679 12.261 1.00 8.70 C ATOM 1084 OH TYR A 98 9.852 9.987 12.322 1.00 9.77 O ATOM 0 H TYR A 98 11.645 5.096 9.771 1.00 4.86 H new ATOM 0 HA TYR A 98 13.598 4.794 11.860 1.00 5.39 H new ATOM 0 HB2 TYR A 98 10.673 3.961 11.769 1.00 6.08 H new ATOM 0 HB3 TYR A 98 11.646 4.217 13.203 1.00 6.08 H new ATOM 0 HD1 TYR A 98 12.665 6.652 13.469 1.00 7.42 H new ATOM 0 HD2 TYR A 98 9.342 5.716 10.972 1.00 7.24 H new ATOM 0 HE1 TYR A 98 11.942 8.997 13.552 1.00 8.35 H new ATOM 0 HE2 TYR A 98 8.626 8.063 11.048 1.00 8.16 H new ATOM 0 HH TYR A 98 9.056 10.100 11.762 1.00 9.77 H new ATOM 1094 N GLN A 99 12.829 2.254 10.090 1.00 5.51 N ATOM 1095 CA GLN A 99 13.156 0.859 9.844 1.00 5.83 C ATOM 1096 C GLN A 99 14.670 0.686 9.841 1.00 5.62 C ATOM 1097 O GLN A 99 15.383 1.412 9.144 1.00 5.86 O ATOM 1098 CB GLN A 99 12.552 0.396 8.514 1.00 6.51 C ATOM 1099 CG GLN A 99 12.847 -1.055 8.168 1.00 7.10 C ATOM 1100 CD GLN A 99 12.082 -1.531 6.947 1.00 7.79 C ATOM 1101 OE1 GLN A 99 10.972 -2.054 7.060 1.00 8.08 O ATOM 1102 NE2 GLN A 99 12.668 -1.358 5.774 1.00 8.34 N ATOM 0 H GLN A 99 12.438 2.743 9.285 1.00 5.51 H new ATOM 0 HA GLN A 99 12.732 0.243 10.637 1.00 5.83 H new ATOM 0 HB2 GLN A 99 11.472 0.537 8.550 1.00 6.51 H new ATOM 0 HB3 GLN A 99 12.931 1.033 7.714 1.00 6.51 H new ATOM 0 HG2 GLN A 99 13.916 -1.172 7.991 1.00 7.10 H new ATOM 0 HG3 GLN A 99 12.594 -1.686 9.020 1.00 7.10 H new ATOM 0 HE21 GLN A 99 13.588 -0.921 5.723 1.00 8.34 H new ATOM 0 HE22 GLN A 99 12.200 -1.662 4.920 1.00 8.34 H new ATOM 1111 N MET A 100 15.158 -0.266 10.634 1.00 5.51 N ATOM 1112 CA MET A 100 16.595 -0.481 10.789 1.00 5.61 C ATOM 1113 C MET A 100 17.244 -0.873 9.462 1.00 5.03 C ATOM 1114 O MET A 100 18.444 -0.679 9.266 1.00 5.20 O ATOM 1115 CB MET A 100 16.866 -1.543 11.858 1.00 6.33 C ATOM 1116 CG MET A 100 18.341 -1.721 12.175 1.00 6.86 C ATOM 1117 SD MET A 100 18.627 -2.797 13.591 1.00 7.54 S ATOM 1118 CE MET A 100 17.865 -1.837 14.899 1.00 8.19 C ATOM 0 H MET A 100 14.577 -0.902 11.180 1.00 5.51 H new ATOM 0 HA MET A 100 17.042 0.459 11.112 1.00 5.61 H new ATOM 0 HB2 MET A 100 16.336 -1.271 12.771 1.00 6.33 H new ATOM 0 HB3 MET A 100 16.457 -2.496 11.524 1.00 6.33 H new ATOM 0 HG2 MET A 100 18.848 -2.134 11.303 1.00 6.86 H new ATOM 0 HG3 MET A 100 18.786 -0.745 12.370 1.00 6.86 H new ATOM 0 HE1 MET A 100 18.277 -2.142 15.861 1.00 8.19 H new ATOM 0 HE2 MET A 100 18.066 -0.778 14.737 1.00 8.19 H new ATOM 0 HE3 MET A 100 16.788 -2.007 14.895 1.00 8.19 H new ATOM 1128 N THR A 101 16.449 -1.428 8.559 1.00 4.63 N ATOM 1129 CA THR A 101 16.899 -1.681 7.202 1.00 4.25 C ATOM 1130 C THR A 101 16.471 -0.520 6.305 1.00 3.46 C ATOM 1131 O THR A 101 15.358 -0.511 5.773 1.00 3.35 O ATOM 1132 CB THR A 101 16.381 -2.800 6.738 1.00 4.65 C ATOM 1133 OG1 THR A 101 16.544 -3.847 7.709 1.00 5.10 O ATOM 1134 CG2 THR A 101 17.036 -3.208 5.427 1.00 5.07 C ATOM 0 H THR A 101 15.487 -1.712 8.744 1.00 4.63 H new ATOM 0 HA THR A 101 17.985 -1.774 7.207 1.00 4.25 H new ATOM 0 HB THR A 101 15.320 -2.633 6.550 1.00 4.65 H new ATOM 0 HG1 THR A 101 16.156 -4.678 7.362 1.00 5.10 H new ATOM 0 HG21 THR A 101 16.587 -4.135 5.069 1.00 5.07 H new ATOM 0 HG22 THR A 101 16.887 -2.423 4.686 1.00 5.07 H new ATOM 0 HG23 THR A 101 18.104 -3.359 5.585 1.00 5.07 H new ATOM 1142 N PRO A 102 17.364 0.457 6.092 1.00 3.42 N ATOM 1143 CA PRO A 102 17.041 1.688 5.386 1.00 3.17 C ATOM 1144 C PRO A 102 17.023 1.505 3.873 1.00 2.61 C ATOM 1145 O PRO A 102 18.069 1.401 3.231 1.00 2.79 O ATOM 1146 CB PRO A 102 18.165 2.655 5.799 1.00 3.96 C ATOM 1147 CG PRO A 102 19.028 1.901 6.762 1.00 4.51 C ATOM 1148 CD PRO A 102 18.766 0.446 6.507 1.00 4.18 C ATOM 0 HA PRO A 102 16.043 2.046 5.640 1.00 3.17 H new ATOM 0 HB2 PRO A 102 18.740 2.978 4.931 1.00 3.96 H new ATOM 0 HB3 PRO A 102 17.756 3.553 6.263 1.00 3.96 H new ATOM 0 HG2 PRO A 102 20.081 2.139 6.611 1.00 4.51 H new ATOM 0 HG3 PRO A 102 18.786 2.166 7.791 1.00 4.51 H new ATOM 0 HD2 PRO A 102 19.418 0.044 5.731 1.00 4.18 H new ATOM 0 HD3 PRO A 102 18.922 -0.159 7.400 1.00 4.18 H new ATOM 1156 N THR A 103 15.828 1.440 3.312 1.00 2.26 N ATOM 1157 CA THR A 103 15.669 1.354 1.877 1.00 1.91 C ATOM 1158 C THR A 103 15.102 2.666 1.348 1.00 1.65 C ATOM 1159 O THR A 103 14.268 3.294 2.004 1.00 1.74 O ATOM 1160 CB THR A 103 14.868 0.356 1.549 1.00 2.12 C ATOM 1161 OG1 THR A 103 15.170 -0.789 2.366 1.00 2.59 O ATOM 1162 CG2 THR A 103 15.004 -0.023 0.085 1.00 2.29 C ATOM 0 H THR A 103 14.952 1.445 3.834 1.00 2.26 H new ATOM 0 HA THR A 103 16.646 1.169 1.431 1.00 1.91 H new ATOM 0 HB THR A 103 13.842 0.684 1.717 1.00 2.12 H new ATOM 0 HG1 THR A 103 14.575 -1.529 2.124 1.00 2.59 H new ATOM 0 HG21 THR A 103 14.328 -0.847 -0.142 1.00 2.29 H new ATOM 0 HG22 THR A 103 14.752 0.835 -0.538 1.00 2.29 H new ATOM 0 HG23 THR A 103 16.030 -0.329 -0.118 1.00 2.29 H new ATOM 1170 N LYS A 104 15.590 3.126 0.208 1.00 1.52 N ATOM 1171 CA LYS A 104 15.069 4.353 -0.352 1.00 1.37 C ATOM 1172 C LYS A 104 13.820 4.054 -1.153 1.00 1.18 C ATOM 1173 O LYS A 104 13.892 3.600 -2.302 1.00 1.26 O ATOM 1174 CB LYS A 104 16.101 5.079 -1.218 1.00 1.53 C ATOM 1175 CG LYS A 104 15.615 6.442 -1.682 1.00 1.64 C ATOM 1176 CD LYS A 104 16.718 7.241 -2.355 1.00 2.24 C ATOM 1177 CE LYS A 104 16.288 8.679 -2.616 1.00 2.60 C ATOM 1178 NZ LYS A 104 15.091 8.757 -3.494 1.00 3.12 N ATOM 0 H LYS A 104 16.329 2.678 -0.334 1.00 1.52 H new ATOM 0 HA LYS A 104 14.824 5.021 0.474 1.00 1.37 H new ATOM 0 HB2 LYS A 104 17.025 5.199 -0.652 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.337 4.466 -2.088 1.00 1.53 H new ATOM 0 HG2 LYS A 104 14.785 6.314 -2.377 1.00 1.64 H new ATOM 0 HG3 LYS A 104 15.232 7.001 -0.828 1.00 1.64 H new ATOM 0 HD2 LYS A 104 17.608 7.235 -1.726 1.00 2.24 H new ATOM 0 HD3 LYS A 104 16.990 6.765 -3.297 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.073 9.170 -1.667 1.00 2.60 H new ATOM 0 HE3 LYS A 104 17.111 9.224 -3.078 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 15.331 9.276 -4.363 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.778 7.796 -3.740 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 14.326 9.253 -2.994 1.00 3.12 H new ATOM 1192 N VAL A 105 12.680 4.294 -0.523 1.00 1.04 N ATOM 1193 CA VAL A 105 11.394 4.042 -1.147 1.00 0.90 C ATOM 1194 C VAL A 105 10.675 5.334 -1.485 1.00 0.72 C ATOM 1195 O VAL A 105 10.999 6.400 -0.952 1.00 0.75 O ATOM 1196 CB VAL A 105 10.604 3.289 -0.397 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.150 1.872 -0.298 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.412 3.885 0.990 1.00 1.11 C ATOM 0 H VAL A 105 12.622 4.665 0.425 1.00 1.04 H new ATOM 0 HA VAL A 105 11.613 3.499 -2.066 1.00 0.90 H new ATOM 0 HB VAL A 105 9.627 3.255 -0.880 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.487 1.269 0.322 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.211 1.435 -1.295 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.144 1.895 0.149 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.758 3.239 1.576 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.379 3.970 1.487 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.962 4.874 0.902 1.00 1.11 H new ATOM 1208 N LYS A 106 9.728 5.234 -2.399 1.00 0.64 N ATOM 1209 CA LYS A 106 8.959 6.383 -2.832 1.00 0.59 C ATOM 1210 C LYS A 106 7.544 5.943 -3.157 1.00 0.53 C ATOM 1211 O LYS A 106 7.331 5.163 -4.087 1.00 0.68 O ATOM 1212 CB LYS A 106 9.615 7.020 -4.062 1.00 0.79 C ATOM 1213 CG LYS A 106 9.094 8.410 -4.389 1.00 1.39 C ATOM 1214 CD LYS A 106 9.897 9.054 -5.507 1.00 1.61 C ATOM 1215 CE LYS A 106 9.453 8.570 -6.879 1.00 2.08 C ATOM 1216 NZ LYS A 106 8.085 9.046 -7.218 1.00 2.36 N ATOM 0 H LYS A 106 9.472 4.360 -2.859 1.00 0.64 H new ATOM 0 HA LYS A 106 8.930 7.125 -2.034 1.00 0.59 H new ATOM 0 HB2 LYS A 106 10.691 7.075 -3.900 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.456 6.371 -4.923 1.00 0.79 H new ATOM 0 HG2 LYS A 106 8.046 8.348 -4.681 1.00 1.39 H new ATOM 0 HG3 LYS A 106 9.140 9.036 -3.498 1.00 1.39 H new ATOM 0 HD2 LYS A 106 9.790 10.137 -5.453 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.955 8.831 -5.369 1.00 1.61 H new ATOM 0 HE2 LYS A 106 10.157 8.921 -7.633 1.00 2.08 H new ATOM 0 HE3 LYS A 106 9.475 7.481 -6.905 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 7.946 8.999 -8.248 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 7.381 8.444 -6.746 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 7.970 10.029 -6.898 1.00 2.36 H new ATOM 1230 N VAL A 107 6.578 6.427 -2.392 1.00 0.47 N ATOM 1231 CA VAL A 107 5.206 6.003 -2.583 1.00 0.49 C ATOM 1232 C VAL A 107 4.501 6.865 -3.590 1.00 0.45 C ATOM 1233 O VAL A 107 4.800 8.048 -3.741 1.00 0.74 O ATOM 1234 CB VAL A 107 4.468 5.988 -1.474 1.00 0.60 C ATOM 1235 CG1 VAL A 107 4.893 4.846 -0.564 1.00 0.99 C ATOM 1236 CG2 VAL A 107 4.518 7.309 -0.720 1.00 1.11 C ATOM 0 H VAL A 107 6.718 7.105 -1.643 1.00 0.47 H new ATOM 0 HA VAL A 107 5.298 4.976 -2.936 1.00 0.49 H new ATOM 0 HB VAL A 107 3.435 5.835 -1.786 1.00 0.60 H new ATOM 0 HG11 VAL A 107 4.279 4.850 0.336 1.00 0.99 H new ATOM 0 HG12 VAL A 107 4.765 3.898 -1.086 1.00 0.99 H new ATOM 0 HG13 VAL A 107 5.940 4.970 -0.289 1.00 0.99 H new ATOM 0 HG21 VAL A 107 3.899 7.241 0.175 1.00 1.11 H new ATOM 0 HG22 VAL A 107 5.547 7.526 -0.434 1.00 1.11 H new ATOM 0 HG23 VAL A 107 4.143 8.108 -1.360 1.00 1.11 H new ATOM 1246 N HIS A 108 3.641 6.235 -4.342 1.00 0.30 N ATOM 1247 CA HIS A 108 2.611 6.943 -5.039 1.00 0.31 C ATOM 1248 C HIS A 108 1.324 6.206 -4.782 1.00 0.28 C ATOM 1249 O HIS A 108 1.080 5.138 -5.336 1.00 0.31 O ATOM 1250 CB HIS A 108 2.894 7.048 -6.540 1.00 0.43 C ATOM 1251 CG HIS A 108 1.953 7.977 -7.257 1.00 0.56 C ATOM 1252 ND1 HIS A 108 1.595 7.824 -8.579 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.299 9.085 -6.823 1.00 0.71 C ATOM 1254 CE1 HIS A 108 0.765 8.792 -8.923 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.571 9.569 -7.879 1.00 0.80 N ATOM 0 H HIS A 108 3.636 5.225 -4.486 1.00 0.30 H new ATOM 0 HA HIS A 108 2.555 7.970 -4.677 1.00 0.31 H new ATOM 0 HB2 HIS A 108 3.917 7.393 -6.687 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.825 6.056 -6.986 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.344 9.507 -5.830 1.00 0.71 H new ATOM 0 HE1 HIS A 108 0.320 8.924 -9.898 1.00 1.01 H new ATOM 0 HE2 HIS A 108 -0.024 10.397 -7.859 1.00 0.80 H new ATOM 1264 N MET A 109 0.530 6.765 -3.907 1.00 0.31 N ATOM 1265 CA MET A 109 -0.754 6.196 -3.580 1.00 0.33 C ATOM 1266 C MET A 109 -1.792 7.023 -4.274 1.00 0.37 C ATOM 1267 O MET A 109 -1.723 8.243 -4.230 1.00 0.55 O ATOM 1268 CB MET A 109 -0.986 6.194 -2.066 1.00 0.43 C ATOM 1269 CG MET A 109 0.067 5.421 -1.288 1.00 0.77 C ATOM 1270 SD MET A 109 -0.321 5.307 0.467 1.00 1.28 S ATOM 1271 CE MET A 109 -1.823 4.336 0.410 1.00 2.22 C ATOM 0 H MET A 109 0.752 7.623 -3.402 1.00 0.31 H new ATOM 0 HA MET A 109 -0.804 5.158 -3.908 1.00 0.33 H new ATOM 0 HB2 MET A 109 -1.006 7.224 -1.709 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.966 5.765 -1.858 1.00 0.43 H new ATOM 0 HG2 MET A 109 0.157 4.417 -1.703 1.00 0.77 H new ATOM 0 HG3 MET A 109 1.035 5.906 -1.412 1.00 0.77 H new ATOM 0 HE1 MET A 109 -2.669 4.957 0.703 1.00 2.22 H new ATOM 0 HE2 MET A 109 -1.979 3.966 -0.603 1.00 2.22 H new ATOM 0 HE3 MET A 109 -1.737 3.493 1.095 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.722 6.385 -4.950 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.675 7.131 -5.732 1.00 0.30 C ATOM 1283 C LYS A 110 -5.051 6.540 -5.572 1.00 0.24 C ATOM 1284 O LYS A 110 -5.226 5.325 -5.648 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.259 7.171 -7.212 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.212 5.812 -7.891 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.725 5.928 -9.329 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.853 4.605 -10.066 1.00 1.38 C ATOM 1289 NZ LYS A 110 -2.313 4.676 -11.448 1.00 1.73 N ATOM 0 H LYS A 110 -2.836 5.372 -4.973 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.696 8.158 -5.368 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.955 7.810 -7.755 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.275 7.635 -7.287 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.552 5.147 -7.334 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -4.204 5.361 -7.876 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -3.301 6.693 -9.849 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -1.684 6.252 -9.337 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -2.325 3.830 -9.511 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.902 4.312 -10.103 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -2.422 3.751 -11.911 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -2.833 5.397 -11.987 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -1.305 4.930 -11.414 1.00 1.73 H new ATOM 1303 N LYS A 111 -6.013 7.395 -5.306 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.377 6.993 -5.286 1.00 0.22 C ATOM 1305 C LYS A 111 -7.759 6.366 -6.618 1.00 0.22 C ATOM 1306 O LYS A 111 -7.763 7.028 -7.658 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.206 8.218 -4.989 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.702 8.003 -5.099 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.456 9.278 -4.785 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.923 9.148 -5.157 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.713 10.345 -4.769 1.00 1.78 N ATOM 0 H LYS A 111 -5.859 8.382 -5.100 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.552 6.238 -4.519 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.974 8.563 -3.982 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.914 9.014 -5.674 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.952 7.666 -6.105 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -10.011 7.214 -4.413 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.365 9.506 -3.723 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -10.011 10.111 -5.329 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.010 8.991 -6.232 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.342 8.266 -4.671 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.703 10.070 -4.607 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.320 10.753 -3.897 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -12.670 11.051 -5.531 1.00 1.78 H new ATOM 1325 N ALA A 112 -8.037 5.071 -6.559 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.287 4.271 -7.740 1.00 0.26 C ATOM 1327 C ALA A 112 -9.454 4.831 -8.536 1.00 0.38 C ATOM 1328 O ALA A 112 -10.430 5.322 -7.966 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.564 2.830 -7.347 1.00 0.33 C ATOM 0 H ALA A 112 -8.095 4.548 -5.685 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.398 4.303 -8.369 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.751 2.238 -8.243 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.702 2.425 -6.818 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.439 2.792 -6.698 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.362 4.728 -9.854 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.377 5.277 -10.744 1.00 0.64 C ATOM 1337 C LEU A 113 -11.665 4.461 -10.668 1.00 0.76 C ATOM 1338 O LEU A 113 -12.699 4.858 -11.210 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.864 5.310 -12.185 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.558 6.079 -12.398 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -8.162 6.062 -13.867 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -8.694 7.507 -11.897 1.00 2.39 C ATOM 0 H LEU A 113 -8.590 4.266 -10.334 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.592 6.296 -10.422 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.722 4.285 -12.526 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.634 5.752 -12.817 1.00 0.76 H new ATOM 0 HG LEU A 113 -7.771 5.588 -11.826 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -7.231 6.614 -13.999 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -8.023 5.032 -14.194 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -8.948 6.529 -14.461 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -7.756 8.039 -12.056 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -9.493 8.009 -12.442 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -8.930 7.498 -10.833 1.00 2.39 H new ATOM 1354 N SER A 114 -11.590 3.318 -9.999 1.00 0.73 N ATOM 1355 CA SER A 114 -12.752 2.473 -9.776 1.00 0.92 C ATOM 1356 C SER A 114 -13.688 3.089 -8.733 1.00 0.93 C ATOM 1357 O SER A 114 -14.906 2.905 -8.789 1.00 1.27 O ATOM 1358 CB SER A 114 -12.290 1.084 -9.333 1.00 1.04 C ATOM 1359 OG SER A 114 -11.141 1.179 -8.505 1.00 1.66 O ATOM 0 H SER A 114 -10.726 2.953 -9.598 1.00 0.73 H new ATOM 0 HA SER A 114 -13.310 2.387 -10.708 1.00 0.92 H new ATOM 0 HB2 SER A 114 -13.093 0.583 -8.793 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.065 0.474 -10.208 1.00 1.04 H new ATOM 0 HG SER A 114 -10.861 0.281 -8.230 1.00 1.66 H new ATOM 1365 N GLY A 115 -13.117 3.831 -7.789 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.919 4.482 -6.772 1.00 0.79 C ATOM 1367 C GLY A 115 -13.250 4.483 -5.413 1.00 0.78 C ATOM 1368 O GLY A 115 -12.103 4.913 -5.279 1.00 1.52 O ATOM 0 H GLY A 115 -12.113 3.992 -7.711 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -14.119 5.510 -7.075 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.883 3.979 -6.698 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.963 3.984 -4.407 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.476 3.998 -3.029 1.00 0.85 C ATOM 1374 C ASP A 116 -12.390 2.942 -2.825 1.00 0.80 C ATOM 1375 O ASP A 116 -12.634 1.842 -2.321 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.633 3.787 -2.049 1.00 1.25 C ATOM 1377 CG ASP A 116 -14.258 4.139 -0.622 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -14.235 3.228 0.235 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -14.008 5.334 -0.351 1.00 2.79 O ATOM 0 H ASP A 116 -14.885 3.563 -4.521 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.035 4.975 -2.832 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.483 4.396 -2.359 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.955 2.746 -2.090 1.00 1.25 H new ATOM 1384 N SER A 117 -11.198 3.291 -3.265 1.00 0.42 N ATOM 1385 CA SER A 117 -10.037 2.423 -3.216 1.00 0.29 C ATOM 1386 C SER A 117 -8.805 3.251 -3.527 1.00 0.22 C ATOM 1387 O SER A 117 -8.917 4.307 -4.148 1.00 0.25 O ATOM 1388 CB SER A 117 -10.193 1.281 -4.211 1.00 0.34 C ATOM 1389 OG SER A 117 -10.776 1.736 -5.421 1.00 0.44 O ATOM 0 H SER A 117 -11.005 4.205 -3.675 1.00 0.42 H new ATOM 0 HA SER A 117 -9.936 1.984 -2.223 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.219 0.838 -4.417 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.814 0.498 -3.776 1.00 0.34 H new ATOM 0 HG SER A 117 -10.864 0.985 -6.044 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.650 2.807 -3.080 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.417 3.564 -3.286 1.00 0.19 C ATOM 1397 C TYR A 118 -5.256 2.633 -3.622 1.00 0.20 C ATOM 1398 O TYR A 118 -5.105 1.575 -3.014 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.075 4.387 -2.036 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.229 5.171 -1.482 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -7.953 4.697 -0.408 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.596 6.378 -2.045 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.021 5.407 0.102 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.661 7.101 -1.546 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.345 6.630 -0.447 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.440 7.317 0.023 1.00 0.42 O ATOM 0 H TYR A 118 -7.531 1.930 -2.573 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.577 4.240 -4.126 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.702 3.715 -1.263 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.265 5.075 -2.278 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.679 3.754 0.042 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.041 6.762 -2.888 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.598 5.009 0.924 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.956 8.029 -2.014 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.532 8.161 -0.467 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.439 3.022 -4.593 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.292 2.231 -4.975 1.00 0.22 C ATOM 1418 C TRP A 119 -2.115 2.519 -4.070 1.00 0.25 C ATOM 1419 O TRP A 119 -2.072 3.540 -3.385 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.877 2.549 -6.403 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.836 2.100 -7.452 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.079 2.596 -7.715 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.598 1.075 -8.409 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.637 1.915 -8.775 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.742 0.974 -9.215 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.524 0.224 -8.651 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.838 0.051 -10.252 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.614 -0.686 -9.671 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.764 -0.772 -10.467 1.00 0.42 C ATOM 0 H TRP A 119 -4.556 3.883 -5.127 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.577 1.182 -4.891 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.740 3.627 -6.494 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.909 2.087 -6.595 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.554 3.401 -7.174 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.563 2.083 -9.168 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.633 0.280 -8.044 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.725 -0.014 -10.864 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.784 -1.349 -9.865 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.804 -1.500 -11.264 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.159 1.615 -4.105 1.00 0.28 N ATOM 1441 CA VAL A 120 0.074 1.733 -3.343 1.00 0.32 C ATOM 1442 C VAL A 120 1.259 1.323 -4.216 1.00 0.34 C ATOM 1443 O VAL A 120 1.555 0.138 -4.366 1.00 0.43 O ATOM 1444 CB VAL A 120 0.060 0.950 -2.266 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.338 1.132 -1.449 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -1.156 1.197 -1.386 1.00 0.62 C ATOM 0 H VAL A 120 -1.213 0.767 -4.669 1.00 0.28 H new ATOM 0 HA VAL A 120 0.166 2.772 -3.025 1.00 0.32 H new ATOM 0 HB VAL A 120 0.004 -0.077 -2.626 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.306 0.483 -0.574 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.201 0.872 -2.062 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.420 2.170 -1.128 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -1.120 0.534 -0.522 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -1.156 2.233 -1.049 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -2.064 1.001 -1.956 1.00 0.62 H new ATOM 1456 N PHE A 121 1.932 2.298 -4.803 1.00 0.34 N ATOM 1457 CA PHE A 121 3.165 2.021 -5.527 1.00 0.42 C ATOM 1458 C PHE A 121 4.362 2.373 -4.649 1.00 0.40 C ATOM 1459 O PHE A 121 4.694 3.550 -4.490 1.00 0.49 O ATOM 1460 CB PHE A 121 3.256 2.829 -6.821 1.00 0.61 C ATOM 1461 CG PHE A 121 2.128 2.604 -7.786 1.00 0.49 C ATOM 1462 CD1 PHE A 121 1.037 3.455 -7.810 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.167 1.548 -8.681 1.00 0.98 C ATOM 1464 CE1 PHE A 121 0.005 3.256 -8.705 1.00 0.96 C ATOM 1465 CE2 PHE A 121 1.137 1.341 -9.577 1.00 1.49 C ATOM 1466 CZ PHE A 121 0.054 2.197 -9.589 1.00 1.45 C ATOM 0 H PHE A 121 1.651 3.279 -4.794 1.00 0.34 H new ATOM 0 HA PHE A 121 3.168 0.961 -5.779 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.293 3.889 -6.569 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.195 2.586 -7.319 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.992 4.285 -7.120 1.00 0.52 H new ATOM 0 HD2 PHE A 121 3.014 0.878 -8.678 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -0.840 3.928 -8.714 1.00 0.96 H new ATOM 0 HE2 PHE A 121 1.179 0.511 -10.267 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.753 2.038 -10.289 1.00 1.45 H new ATOM 1476 N VAL A 122 4.990 1.363 -4.074 1.00 0.49 N ATOM 1477 CA VAL A 122 6.196 1.562 -3.281 1.00 0.61 C ATOM 1478 C VAL A 122 7.434 1.271 -4.129 1.00 0.73 C ATOM 1479 O VAL A 122 7.746 0.121 -4.439 1.00 0.95 O ATOM 1480 CB VAL A 122 6.206 0.821 -2.170 1.00 0.77 C ATOM 1481 CG1 VAL A 122 5.287 1.438 -1.124 1.00 1.61 C ATOM 1482 CG2 VAL A 122 5.809 -0.632 -2.423 1.00 1.52 C ATOM 0 H VAL A 122 4.685 0.392 -4.140 1.00 0.49 H new ATOM 0 HA VAL A 122 6.208 2.605 -2.965 1.00 0.61 H new ATOM 0 HB VAL A 122 7.233 0.811 -1.804 1.00 0.77 H new ATOM 0 HG11 VAL A 122 5.301 0.827 -0.221 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.631 2.445 -0.886 1.00 1.61 H new ATOM 0 HG13 VAL A 122 4.270 1.484 -1.515 1.00 1.61 H new ATOM 0 HG21 VAL A 122 5.835 -1.185 -1.484 1.00 1.52 H new ATOM 0 HG22 VAL A 122 4.801 -0.667 -2.837 1.00 1.52 H new ATOM 0 HG23 VAL A 122 6.507 -1.082 -3.129 1.00 1.52 H new ATOM 1492 N LYS A 123 8.142 2.317 -4.518 1.00 0.76 N ATOM 1493 CA LYS A 123 9.236 2.163 -5.449 1.00 0.97 C ATOM 1494 C LYS A 123 10.565 2.377 -4.756 1.00 1.04 C ATOM 1495 O LYS A 123 10.894 3.494 -4.362 1.00 1.02 O ATOM 1496 CB LYS A 123 9.092 3.140 -6.616 1.00 1.11 C ATOM 1497 CG LYS A 123 7.850 2.906 -7.462 1.00 1.66 C ATOM 1498 CD LYS A 123 7.740 3.943 -8.567 1.00 2.03 C ATOM 1499 CE LYS A 123 6.500 3.742 -9.424 1.00 2.74 C ATOM 1500 NZ LYS A 123 6.558 2.486 -10.216 1.00 3.45 N ATOM 0 H LYS A 123 7.978 3.274 -4.204 1.00 0.76 H new ATOM 0 HA LYS A 123 9.206 1.145 -5.838 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.068 4.157 -6.225 1.00 1.11 H new ATOM 0 HB3 LYS A 123 9.974 3.064 -7.252 1.00 1.11 H new ATOM 0 HG2 LYS A 123 7.885 1.908 -7.898 1.00 1.66 H new ATOM 0 HG3 LYS A 123 6.963 2.947 -6.830 1.00 1.66 H new ATOM 0 HD2 LYS A 123 7.717 4.940 -8.126 1.00 2.03 H new ATOM 0 HD3 LYS A 123 8.627 3.894 -9.198 1.00 2.03 H new ATOM 0 HE2 LYS A 123 5.618 3.725 -8.784 1.00 2.74 H new ATOM 0 HE3 LYS A 123 6.387 4.590 -10.100 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 5.741 2.443 -10.858 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 7.437 2.466 -10.772 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 6.536 1.669 -9.573 1.00 3.45 H new ATOM 1514 N ARG A 124 11.315 1.302 -4.590 1.00 1.23 N ATOM 1515 CA ARG A 124 12.643 1.396 -4.020 1.00 1.40 C ATOM 1516 C ARG A 124 13.675 1.317 -5.131 1.00 1.63 C ATOM 1517 O ARG A 124 13.486 0.593 -6.113 1.00 1.81 O ATOM 1518 CB ARG A 124 12.872 0.303 -2.956 1.00 1.65 C ATOM 1519 CG ARG A 124 13.172 -1.096 -3.488 1.00 1.97 C ATOM 1520 CD ARG A 124 14.667 -1.301 -3.708 1.00 2.31 C ATOM 1521 NE ARG A 124 15.007 -2.689 -4.017 1.00 2.83 N ATOM 1522 CZ ARG A 124 16.229 -3.093 -4.373 1.00 3.38 C ATOM 1523 NH1 ARG A 124 17.207 -2.212 -4.547 1.00 3.50 N ATOM 1524 NH2 ARG A 124 16.467 -4.382 -4.569 1.00 4.23 N ATOM 0 H ARG A 124 11.026 0.357 -4.842 1.00 1.23 H new ATOM 0 HA ARG A 124 12.746 2.356 -3.514 1.00 1.40 H new ATOM 0 HB2 ARG A 124 13.700 0.613 -2.318 1.00 1.65 H new ATOM 0 HB3 ARG A 124 11.986 0.248 -2.324 1.00 1.65 H new ATOM 0 HG2 ARG A 124 12.801 -1.841 -2.784 1.00 1.97 H new ATOM 0 HG3 ARG A 124 12.640 -1.251 -4.427 1.00 1.97 H new ATOM 0 HD2 ARG A 124 15.001 -0.659 -4.523 1.00 2.31 H new ATOM 0 HD3 ARG A 124 15.208 -0.989 -2.814 1.00 2.31 H new ATOM 0 HE ARG A 124 14.268 -3.389 -3.957 1.00 2.83 H new ATOM 0 HH11 ARG A 124 17.028 -1.217 -4.409 1.00 3.50 H new ATOM 0 HH12 ARG A 124 18.137 -2.530 -4.819 1.00 3.50 H new ATOM 0 HH21 ARG A 124 15.718 -5.063 -4.448 1.00 4.23 H new ATOM 0 HH22 ARG A 124 17.400 -4.693 -4.841 1.00 4.23 H new ATOM 1538 N VAL A 125 14.740 2.078 -4.990 1.00 1.80 N ATOM 1539 CA VAL A 125 15.817 2.048 -5.959 1.00 2.18 C ATOM 1540 C VAL A 125 16.662 0.785 -5.767 1.00 2.76 C ATOM 1541 O VAL A 125 16.783 0.002 -6.735 1.00 3.34 O ATOM 1542 CB VAL A 125 16.562 3.159 -5.926 1.00 2.48 C ATOM 1543 CG1 VAL A 125 17.074 3.477 -4.524 1.00 3.01 C ATOM 1544 CG2 VAL A 125 17.715 3.087 -6.918 1.00 3.14 C ATOM 1545 OXT VAL A 125 17.127 0.535 -4.631 1.00 3.27 O ATOM 0 H VAL A 125 14.884 2.725 -4.215 1.00 1.80 H new ATOM 0 HA VAL A 125 15.373 2.016 -6.954 1.00 2.18 H new ATOM 0 HB VAL A 125 15.906 3.978 -6.223 1.00 2.48 H new ATOM 0 HG11 VAL A 125 17.673 4.387 -4.553 1.00 3.01 H new ATOM 0 HG12 VAL A 125 16.228 3.620 -3.852 1.00 3.01 H new ATOM 0 HG13 VAL A 125 17.688 2.651 -4.165 1.00 3.01 H new ATOM 0 HG21 VAL A 125 18.299 4.006 -6.864 1.00 3.14 H new ATOM 0 HG22 VAL A 125 18.352 2.237 -6.674 1.00 3.14 H new ATOM 0 HG23 VAL A 125 17.320 2.967 -7.927 1.00 3.14 H new TER 1555 VAL A 125 HETATM 1556 C1 HC4 A 169 -6.320 -5.025 13.194 1.00 12.02 C HETATM 1557 O1 HC4 A 169 -6.463 -4.250 14.126 1.00 12.16 O HETATM 1558 C2 HC4 A 169 -7.213 -6.255 12.897 1.00 12.51 C HETATM 1559 C3 HC4 A 169 -8.269 -6.677 13.628 1.00 13.15 C HETATM 1560 C1' HC4 A 169 -8.720 -6.292 14.973 1.00 13.58 C HETATM 1561 C2' HC4 A 169 -9.828 -6.936 15.518 1.00 14.40 C HETATM 1562 C3' HC4 A 169 -10.333 -6.587 16.757 1.00 14.99 C HETATM 1563 C4' HC4 A 169 -9.734 -5.583 17.480 1.00 14.81 C HETATM 1564 C5' HC4 A 169 -8.646 -4.924 16.967 1.00 14.03 C HETATM 1565 C6' HC4 A 169 -8.155 -5.273 15.727 1.00 13.40 C HETATM 1566 O4' HC4 A 169 -10.227 -5.231 18.712 1.00 15.56 O HETATM 0 HO4' HC4 A 169 -9.685 -4.506 19.086 1.00 15.56 H new HETATM 0 H6' HC4 A 169 -7.297 -4.732 15.327 1.00 13.40 H new HETATM 0 H5' HC4 A 169 -8.171 -4.126 17.538 1.00 14.03 H new HETATM 0 H3' HC4 A 169 -11.203 -7.106 17.159 1.00 14.99 H new HETATM 0 H3 HC4 A 169 -8.889 -7.428 13.138 1.00 13.15 H new HETATM 0 H2' HC4 A 169 -10.309 -7.735 14.954 1.00 14.40 H new HETATM 0 H2 HC4 A 169 -6.965 -6.839 12.010 1.00 12.51 H new