USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 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= 0.0625 USER MOD Set 1.2: A 117 SER OG : rot 180:sc= -1.28 USER MOD Set 2.1: A 87 ASN : amide:sc= -0.359 K(o=0.21,f=-1) USER MOD Set 2.2: A 89 ASN : amide:sc= 0.565 K(o=0.21,f=-1) USER MOD Set 3.1: A 41 GLN : amide:sc= 0.335 K(o=0.68,f=-0.57) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.349 K(o=0.68,f=-1.5) USER MOD Single : A 32 GLN : amide:sc= -2.36! C(o=-2.4!,f=-7.2!) USER MOD Single : A 38 ASN : amide:sc= 0.493 K(o=0.49,f=-1.2) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -57:sc= 0.669 USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.672 (180deg=0.432) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 2.04 (180deg=2.02) USER MOD Single : A 61 ASN : amide:sc= -0.466 K(o=-0.47,f=-3.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0276) USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0439) USER MOD Single : A 85 SER OG : rot 12:sc= 0.671 USER MOD Single : A 90 THR OG1 : rot 75:sc= 0.497 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.42) USER MOD Single : A 100 MET CE :methyl 167:sc= -0.113 (180deg=-0.571) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 104 LYS NZ :NH3+ 171:sc= -0.0127 (180deg=-0.139) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -1.47 K(o=-1.5,f=0.3) USER MOD Single : A 109 MET CE :methyl -154:sc= -0.694 (180deg=-2.37) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= 0.461 (180deg=0.342) USER MOD Single : A 111 LYS NZ :NH3+ 166:sc= 0.476 (180deg=0.247) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 HC4 O4' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 6.439 -5.246 -14.102 1.00 8.65 N ATOM 2 CA LEU A 26 7.356 -4.086 -14.153 1.00 7.71 C ATOM 3 C LEU A 26 7.394 -3.395 -12.797 1.00 6.76 C ATOM 4 O LEU A 26 6.360 -2.954 -12.297 1.00 6.84 O ATOM 5 CB LEU A 26 6.891 -3.099 -15.231 1.00 7.84 C ATOM 6 CG LEU A 26 7.798 -1.884 -15.451 1.00 8.33 C ATOM 7 CD1 LEU A 26 9.135 -2.311 -16.034 1.00 8.50 C ATOM 8 CD2 LEU A 26 7.118 -0.869 -16.358 1.00 8.72 C ATOM 0 HA LEU A 26 8.358 -4.436 -14.401 1.00 7.71 H new ATOM 0 HB2 LEU A 26 6.798 -3.636 -16.175 1.00 7.84 H new ATOM 0 HB3 LEU A 26 5.895 -2.743 -14.967 1.00 7.84 H new ATOM 0 HG LEU A 26 7.982 -1.414 -14.485 1.00 8.33 H new ATOM 0 HD11 LEU A 26 9.764 -1.433 -16.183 1.00 8.50 H new ATOM 0 HD12 LEU A 26 9.628 -2.999 -15.347 1.00 8.50 H new ATOM 0 HD13 LEU A 26 8.973 -2.807 -16.991 1.00 8.50 H new ATOM 0 HD21 LEU A 26 7.776 -0.013 -16.504 1.00 8.72 H new ATOM 0 HD22 LEU A 26 6.903 -1.329 -17.322 1.00 8.72 H new ATOM 0 HD23 LEU A 26 6.187 -0.537 -15.899 1.00 8.72 H new ATOM 20 N ALA A 27 8.594 -3.329 -12.215 1.00 6.18 N ATOM 21 CA ALA A 27 8.828 -2.696 -10.915 1.00 5.48 C ATOM 22 C ALA A 27 8.206 -3.488 -9.762 1.00 4.38 C ATOM 23 O ALA A 27 7.151 -4.113 -9.901 1.00 4.57 O ATOM 24 CB ALA A 27 8.331 -1.254 -10.908 1.00 6.04 C ATOM 0 H ALA A 27 9.438 -3.717 -12.637 1.00 6.18 H new ATOM 0 HA ALA A 27 9.907 -2.691 -10.758 1.00 5.48 H new ATOM 0 HB1 ALA A 27 8.518 -0.809 -9.930 1.00 6.04 H new ATOM 0 HB2 ALA A 27 8.858 -0.684 -11.673 1.00 6.04 H new ATOM 0 HB3 ALA A 27 7.261 -1.237 -11.116 1.00 6.04 H new ATOM 30 N PHE A 28 8.881 -3.471 -8.620 1.00 3.64 N ATOM 31 CA PHE A 28 8.384 -4.133 -7.423 1.00 2.91 C ATOM 32 C PHE A 28 7.809 -3.108 -6.456 1.00 1.94 C ATOM 33 O PHE A 28 8.553 -2.335 -5.845 1.00 2.30 O ATOM 34 CB PHE A 28 9.506 -4.912 -6.730 1.00 3.48 C ATOM 35 CG PHE A 28 10.005 -6.098 -7.503 1.00 4.19 C ATOM 36 CD1 PHE A 28 11.033 -5.965 -8.424 1.00 4.76 C ATOM 37 CD2 PHE A 28 9.453 -7.352 -7.299 1.00 4.70 C ATOM 38 CE1 PHE A 28 11.498 -7.060 -9.124 1.00 5.72 C ATOM 39 CE2 PHE A 28 9.913 -8.449 -7.998 1.00 5.68 C ATOM 40 CZ PHE A 28 10.938 -8.304 -8.911 1.00 6.15 C ATOM 0 H PHE A 28 9.779 -3.003 -8.498 1.00 3.64 H new ATOM 0 HA PHE A 28 7.601 -4.830 -7.721 1.00 2.91 H new ATOM 0 HB2 PHE A 28 10.341 -4.236 -6.546 1.00 3.48 H new ATOM 0 HB3 PHE A 28 9.150 -5.251 -5.757 1.00 3.48 H new ATOM 0 HD1 PHE A 28 11.475 -4.994 -8.595 1.00 4.76 H new ATOM 0 HD2 PHE A 28 8.653 -7.472 -6.584 1.00 4.70 H new ATOM 0 HE1 PHE A 28 12.300 -6.944 -9.838 1.00 5.72 H new ATOM 0 HE2 PHE A 28 9.471 -9.420 -7.831 1.00 5.68 H new ATOM 0 HZ PHE A 28 11.301 -9.162 -9.458 1.00 6.15 H new ATOM 50 N GLY A 29 6.490 -3.095 -6.332 1.00 1.43 N ATOM 51 CA GLY A 29 5.853 -2.181 -5.410 1.00 0.99 C ATOM 52 C GLY A 29 4.536 -1.639 -5.913 1.00 0.78 C ATOM 53 O GLY A 29 4.093 -0.596 -5.458 1.00 1.00 O ATOM 0 H GLY A 29 5.853 -3.699 -6.851 1.00 1.43 H new ATOM 0 HA2 GLY A 29 5.688 -2.691 -4.461 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.528 -1.348 -5.212 1.00 0.99 H new ATOM 57 N ALA A 30 3.899 -2.332 -6.842 1.00 0.70 N ATOM 58 CA ALA A 30 2.637 -1.853 -7.385 1.00 0.54 C ATOM 59 C ALA A 30 1.476 -2.724 -6.910 1.00 0.49 C ATOM 60 O ALA A 30 1.301 -3.850 -7.373 1.00 0.60 O ATOM 61 CB ALA A 30 2.688 -1.823 -8.908 1.00 0.68 C ATOM 0 H ALA A 30 4.228 -3.215 -7.232 1.00 0.70 H new ATOM 0 HA ALA A 30 2.475 -0.838 -7.022 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.736 -1.462 -9.297 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.488 -1.157 -9.232 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.877 -2.828 -9.286 1.00 0.68 H new ATOM 67 N ILE A 31 0.695 -2.206 -5.977 1.00 0.40 N ATOM 68 CA ILE A 31 -0.448 -2.932 -5.445 1.00 0.39 C ATOM 69 C ILE A 31 -1.646 -2.005 -5.276 1.00 0.35 C ATOM 70 O ILE A 31 -1.488 -0.824 -4.982 1.00 0.36 O ATOM 71 CB ILE A 31 -0.154 -3.547 -4.303 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.359 -4.268 -3.712 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.466 -2.583 -3.293 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.109 -4.854 -2.339 1.00 0.90 C ATOM 0 H ILE A 31 0.832 -1.281 -5.570 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.712 -3.704 -6.168 1.00 0.39 H new ATOM 0 HB ILE A 31 0.590 -4.308 -4.537 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.194 -3.570 -3.652 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.660 -5.068 -4.389 1.00 0.48 H new ATOM 0 HG21 ILE A 31 0.694 -3.119 -2.371 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.384 -2.164 -3.706 1.00 0.52 H new ATOM 0 HG23 ILE A 31 -0.237 -1.777 -3.080 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.013 -5.351 -1.985 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -0.296 -5.577 -2.395 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -0.839 -4.057 -1.647 1.00 0.90 H new ATOM 86 N GLN A 32 -2.828 -2.517 -5.570 1.00 0.38 N ATOM 87 CA GLN A 32 -4.042 -1.727 -5.464 1.00 0.40 C ATOM 88 C GLN A 32 -4.934 -2.292 -4.358 1.00 0.37 C ATOM 89 O GLN A 32 -5.176 -3.506 -4.290 1.00 0.44 O ATOM 90 CB GLN A 32 -4.754 -1.678 -6.831 1.00 0.50 C ATOM 91 CG GLN A 32 -6.013 -2.517 -6.958 1.00 0.55 C ATOM 92 CD GLN A 32 -7.270 -1.726 -6.645 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.692 -1.642 -5.498 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.891 -1.163 -7.672 1.00 0.93 N ATOM 0 H GLN A 32 -2.973 -3.477 -5.884 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.799 -0.701 -5.189 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.009 -0.641 -7.048 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.049 -2.000 -7.597 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -6.080 -2.915 -7.970 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.947 -3.371 -6.284 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.508 -1.256 -8.613 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.752 -0.637 -7.521 1.00 0.93 H new ATOM 103 N LEU A 33 -5.385 -1.423 -3.472 1.00 0.34 N ATOM 104 CA LEU A 33 -6.224 -1.843 -2.361 1.00 0.36 C ATOM 105 C LEU A 33 -7.436 -0.942 -2.212 1.00 0.35 C ATOM 106 O LEU A 33 -7.464 0.179 -2.712 1.00 0.43 O ATOM 107 CB LEU A 33 -5.398 -1.897 -1.068 1.00 0.45 C ATOM 108 CG LEU A 33 -4.586 -0.641 -0.723 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.455 0.428 -0.076 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.425 -1.003 0.187 1.00 0.71 C ATOM 0 H LEU A 33 -5.186 -0.423 -3.499 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.598 -2.845 -2.570 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -6.075 -2.105 -0.239 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.710 -2.740 -1.137 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.195 -0.229 -1.653 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.846 1.302 0.154 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.253 0.712 -0.762 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.889 0.036 0.844 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.856 -0.105 0.425 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.808 -1.445 1.107 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.777 -1.720 -0.317 1.00 0.71 H new ATOM 122 N ASP A 34 -8.447 -1.450 -1.538 1.00 0.35 N ATOM 123 CA ASP A 34 -9.663 -0.684 -1.314 1.00 0.45 C ATOM 124 C ASP A 34 -9.457 0.344 -0.220 1.00 0.53 C ATOM 125 O ASP A 34 -8.565 0.217 0.619 1.00 0.58 O ATOM 126 CB ASP A 34 -10.862 -1.589 -0.982 1.00 0.55 C ATOM 127 CG ASP A 34 -10.648 -2.492 0.223 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.280 -1.989 1.306 1.00 0.88 O ATOM 129 OD2 ASP A 34 -10.880 -3.715 0.089 1.00 1.15 O ATOM 0 H ASP A 34 -8.454 -2.387 -1.135 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.892 -0.166 -2.245 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.736 -0.963 -0.802 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -11.087 -2.208 -1.850 1.00 0.55 H new ATOM 134 N GLY A 35 -10.293 1.367 -0.240 1.00 0.67 N ATOM 135 CA GLY A 35 -10.197 2.434 0.733 1.00 0.84 C ATOM 136 C GLY A 35 -10.776 2.051 2.078 1.00 0.85 C ATOM 137 O GLY A 35 -11.303 2.897 2.804 1.00 1.20 O ATOM 0 H GLY A 35 -11.045 1.479 -0.920 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.151 2.713 0.858 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.718 3.313 0.355 1.00 0.84 H new ATOM 141 N ASP A 36 -10.687 0.776 2.404 1.00 0.69 N ATOM 142 CA ASP A 36 -11.176 0.277 3.671 1.00 0.83 C ATOM 143 C ASP A 36 -10.043 -0.408 4.427 1.00 0.83 C ATOM 144 O ASP A 36 -9.995 -0.391 5.658 1.00 1.10 O ATOM 145 CB ASP A 36 -12.323 -0.695 3.434 1.00 0.89 C ATOM 146 CG ASP A 36 -13.452 -0.514 4.431 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.631 -0.616 4.022 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.174 -0.240 5.615 1.00 1.77 O ATOM 0 H ASP A 36 -10.276 0.063 1.802 1.00 0.69 H new ATOM 0 HA ASP A 36 -11.543 1.110 4.271 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -12.709 -0.558 2.424 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -11.948 -1.717 3.496 1.00 0.89 H new ATOM 153 N GLY A 37 -9.127 -1.010 3.681 1.00 0.67 N ATOM 154 CA GLY A 37 -7.957 -1.602 4.292 1.00 0.81 C ATOM 155 C GLY A 37 -7.711 -3.025 3.837 1.00 0.78 C ATOM 156 O GLY A 37 -7.026 -3.792 4.523 1.00 1.05 O ATOM 0 H GLY A 37 -9.174 -1.098 2.666 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.083 -0.994 4.056 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -8.072 -1.587 5.376 1.00 0.81 H new ATOM 160 N ASN A 38 -8.266 -3.390 2.689 1.00 0.61 N ATOM 161 CA ASN A 38 -8.075 -4.730 2.143 1.00 0.73 C ATOM 162 C ASN A 38 -7.534 -4.647 0.731 1.00 0.57 C ATOM 163 O ASN A 38 -7.704 -3.641 0.045 1.00 0.49 O ATOM 164 CB ASN A 38 -9.388 -5.513 2.142 1.00 0.95 C ATOM 165 CG ASN A 38 -10.112 -5.451 3.472 1.00 1.13 C ATOM 166 OD1 ASN A 38 -9.839 -6.235 4.381 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.043 -4.515 3.590 1.00 1.38 N ATOM 0 H ASN A 38 -8.851 -2.780 2.118 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.358 -5.252 2.777 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.039 -5.120 1.361 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -9.184 -6.554 1.893 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -11.566 -4.423 4.461 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.236 -3.887 2.810 1.00 1.38 H new ATOM 174 N ILE A 39 -6.877 -5.707 0.301 1.00 0.65 N ATOM 175 CA ILE A 39 -6.297 -5.746 -1.024 1.00 0.57 C ATOM 176 C ILE A 39 -7.366 -6.105 -2.051 1.00 0.59 C ATOM 177 O ILE A 39 -8.288 -6.859 -1.751 1.00 0.77 O ATOM 178 CB ILE A 39 -5.297 -6.626 -1.081 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.229 -6.326 -0.034 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.664 -6.680 -2.469 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.683 -4.915 -0.080 1.00 1.18 C ATOM 0 H ILE A 39 -6.732 -6.553 0.852 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.897 -4.758 -1.251 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.731 -7.603 -0.867 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.648 -6.508 0.956 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.404 -7.026 -0.165 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.854 -7.409 -2.471 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -5.417 -6.972 -3.201 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -4.269 -5.698 -2.727 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.930 -4.791 0.698 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -3.231 -4.731 -1.055 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.494 -4.205 0.083 1.00 1.18 H new ATOM 193 N LEU A 40 -7.291 -5.497 -3.223 1.00 0.51 N ATOM 194 CA LEU A 40 -8.158 -5.879 -4.326 1.00 0.61 C ATOM 195 C LEU A 40 -7.337 -6.585 -5.392 1.00 0.60 C ATOM 196 O LEU A 40 -7.645 -7.709 -5.794 1.00 0.72 O ATOM 197 CB LEU A 40 -8.869 -4.659 -4.922 1.00 0.66 C ATOM 198 CG LEU A 40 -9.805 -3.925 -3.964 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.463 -2.745 -4.657 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.861 -4.875 -3.419 1.00 1.54 C ATOM 0 H LEU A 40 -6.642 -4.740 -3.435 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.924 -6.556 -3.948 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.116 -3.957 -5.279 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -9.443 -4.980 -5.791 1.00 0.66 H new ATOM 0 HG LEU A 40 -9.213 -3.548 -3.130 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.126 -2.236 -3.957 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.696 -2.051 -5.001 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -11.040 -3.100 -5.511 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.519 -4.335 -2.738 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -11.446 -5.281 -4.244 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -10.375 -5.691 -2.884 1.00 1.54 H new ATOM 212 N GLN A 41 -6.269 -5.928 -5.820 1.00 0.50 N ATOM 213 CA GLN A 41 -5.371 -6.496 -6.814 1.00 0.55 C ATOM 214 C GLN A 41 -3.918 -6.318 -6.390 1.00 0.46 C ATOM 215 O GLN A 41 -3.430 -5.197 -6.244 1.00 0.46 O ATOM 216 CB GLN A 41 -5.607 -5.854 -8.186 1.00 0.67 C ATOM 217 CG GLN A 41 -4.673 -6.366 -9.275 1.00 1.08 C ATOM 218 CD GLN A 41 -4.776 -7.865 -9.490 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.835 -8.463 -9.304 1.00 2.41 O ATOM 220 NE2 GLN A 41 -3.673 -8.483 -9.870 1.00 2.37 N ATOM 0 H GLN A 41 -6.003 -4.999 -5.493 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.581 -7.563 -6.891 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.638 -6.037 -8.489 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.488 -4.774 -8.097 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -4.900 -5.854 -10.210 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -3.646 -6.112 -9.014 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -2.814 -7.952 -10.014 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -3.679 -9.492 -10.020 1.00 2.37 H new ATOM 229 N TYR A 42 -3.235 -7.433 -6.182 1.00 0.57 N ATOM 230 CA TYR A 42 -1.827 -7.419 -5.811 1.00 0.58 C ATOM 231 C TYR A 42 -0.989 -7.843 -7.006 1.00 0.65 C ATOM 232 O TYR A 42 -1.138 -8.955 -7.513 1.00 0.79 O ATOM 233 CB TYR A 42 -1.583 -8.347 -4.614 1.00 0.71 C ATOM 234 CG TYR A 42 -0.132 -8.446 -4.179 1.00 0.82 C ATOM 235 CD1 TYR A 42 0.442 -9.681 -3.902 1.00 1.09 C ATOM 236 CD2 TYR A 42 0.659 -7.311 -4.042 1.00 0.82 C ATOM 237 CE1 TYR A 42 1.759 -9.783 -3.500 1.00 1.26 C ATOM 238 CE2 TYR A 42 1.980 -7.405 -3.641 1.00 1.02 C ATOM 239 CZ TYR A 42 2.526 -8.644 -3.372 1.00 1.21 C ATOM 240 OH TYR A 42 3.841 -8.744 -2.971 1.00 1.42 O ATOM 0 H TYR A 42 -3.637 -8.367 -6.265 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.537 -6.410 -5.517 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -2.179 -7.996 -3.771 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -1.943 -9.345 -4.865 1.00 0.71 H new ATOM 0 HD1 TYR A 42 -0.153 -10.577 -4.003 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.235 -6.340 -4.252 1.00 0.82 H new ATOM 0 HE1 TYR A 42 2.187 -10.751 -3.287 1.00 1.26 H new ATOM 0 HE2 TYR A 42 2.581 -6.513 -3.539 1.00 1.02 H new ATOM 0 HH TYR A 42 4.240 -7.850 -2.932 1.00 1.42 H new ATOM 250 N ASN A 43 -0.133 -6.947 -7.470 1.00 0.63 N ATOM 251 CA ASN A 43 0.688 -7.211 -8.644 1.00 0.75 C ATOM 252 C ASN A 43 2.089 -7.632 -8.231 1.00 0.92 C ATOM 253 O ASN A 43 2.924 -6.798 -7.880 1.00 1.02 O ATOM 254 CB ASN A 43 0.755 -5.978 -9.551 1.00 0.78 C ATOM 255 CG ASN A 43 -0.603 -5.569 -10.095 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.479 -6.408 -10.311 1.00 1.21 O ATOM 257 ND2 ASN A 43 -0.789 -4.275 -10.307 1.00 0.88 N ATOM 0 H ASN A 43 0.013 -6.028 -7.052 1.00 0.63 H new ATOM 0 HA ASN A 43 0.226 -8.026 -9.202 1.00 0.75 H new ATOM 0 HB2 ASN A 43 1.183 -5.145 -8.993 1.00 0.78 H new ATOM 0 HB3 ASN A 43 1.428 -6.182 -10.384 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -1.684 -3.940 -10.662 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.037 -3.613 -10.115 1.00 0.88 H new ATOM 264 N ALA A 44 2.332 -8.931 -8.254 1.00 1.13 N ATOM 265 CA ALA A 44 3.626 -9.470 -7.874 1.00 1.36 C ATOM 266 C ALA A 44 4.364 -10.005 -9.092 1.00 1.78 C ATOM 267 O ALA A 44 3.747 -10.512 -10.035 1.00 2.50 O ATOM 268 CB ALA A 44 3.462 -10.562 -6.828 1.00 2.05 C ATOM 0 H ALA A 44 1.648 -9.634 -8.533 1.00 1.13 H new ATOM 0 HA ALA A 44 4.219 -8.664 -7.442 1.00 1.36 H new ATOM 0 HB1 ALA A 44 4.442 -10.954 -6.555 1.00 2.05 H new ATOM 0 HB2 ALA A 44 2.977 -10.149 -5.943 1.00 2.05 H new ATOM 0 HB3 ALA A 44 2.849 -11.367 -7.235 1.00 2.05 H new ATOM 274 N ALA A 45 5.681 -9.889 -9.069 1.00 2.22 N ATOM 275 CA ALA A 45 6.506 -10.367 -10.163 1.00 3.09 C ATOM 276 C ALA A 45 7.118 -11.714 -9.809 1.00 3.52 C ATOM 277 O ALA A 45 7.525 -11.932 -8.664 1.00 3.90 O ATOM 278 CB ALA A 45 7.591 -9.355 -10.501 1.00 4.00 C ATOM 0 H ALA A 45 6.202 -9.466 -8.301 1.00 2.22 H new ATOM 0 HA ALA A 45 5.876 -10.493 -11.044 1.00 3.09 H new ATOM 0 HB1 ALA A 45 8.198 -9.733 -11.324 1.00 4.00 H new ATOM 0 HB2 ALA A 45 7.130 -8.412 -10.794 1.00 4.00 H new ATOM 0 HB3 ALA A 45 8.223 -9.194 -9.628 1.00 4.00 H new ATOM 284 N GLU A 46 7.155 -12.610 -10.795 1.00 4.02 N ATOM 285 CA GLU A 46 7.681 -13.964 -10.623 1.00 4.87 C ATOM 286 C GLU A 46 6.776 -14.789 -9.707 1.00 5.45 C ATOM 287 O GLU A 46 5.733 -14.313 -9.245 1.00 5.90 O ATOM 288 CB GLU A 46 9.119 -13.939 -10.089 1.00 5.61 C ATOM 289 CG GLU A 46 10.110 -13.303 -11.054 1.00 5.96 C ATOM 290 CD GLU A 46 11.523 -13.261 -10.511 1.00 6.73 C ATOM 291 OE1 GLU A 46 11.878 -12.269 -9.841 1.00 7.09 O ATOM 292 OE2 GLU A 46 12.295 -14.208 -10.769 1.00 7.21 O ATOM 0 H GLU A 46 6.820 -12.417 -11.739 1.00 4.02 H new ATOM 0 HA GLU A 46 7.698 -14.440 -11.604 1.00 4.87 H new ATOM 0 HB2 GLU A 46 9.139 -13.393 -9.146 1.00 5.61 H new ATOM 0 HB3 GLU A 46 9.437 -14.959 -9.873 1.00 5.61 H new ATOM 0 HG2 GLU A 46 10.104 -13.859 -11.991 1.00 5.96 H new ATOM 0 HG3 GLU A 46 9.785 -12.288 -11.283 1.00 5.96 H new ATOM 299 N GLY A 47 7.168 -16.030 -9.459 1.00 5.76 N ATOM 300 CA GLY A 47 6.353 -16.912 -8.651 1.00 6.54 C ATOM 301 C GLY A 47 6.877 -17.046 -7.240 1.00 6.69 C ATOM 302 O GLY A 47 7.643 -16.204 -6.767 1.00 6.97 O ATOM 0 H GLY A 47 8.036 -16.441 -9.803 1.00 5.76 H new ATOM 0 HA2 GLY A 47 5.331 -16.534 -8.622 1.00 6.54 H new ATOM 0 HA3 GLY A 47 6.315 -17.897 -9.117 1.00 6.54 H new ATOM 306 N ASP A 48 6.475 -18.115 -6.569 1.00 6.81 N ATOM 307 CA ASP A 48 6.895 -18.363 -5.197 1.00 7.22 C ATOM 308 C ASP A 48 8.326 -18.891 -5.147 1.00 7.49 C ATOM 309 O ASP A 48 8.580 -20.094 -5.064 1.00 7.74 O ATOM 310 CB ASP A 48 5.927 -19.312 -4.479 1.00 7.72 C ATOM 311 CG ASP A 48 5.677 -20.604 -5.235 1.00 8.18 C ATOM 312 OD1 ASP A 48 6.254 -21.643 -4.860 1.00 8.38 O ATOM 313 OD2 ASP A 48 4.902 -20.583 -6.213 1.00 8.59 O ATOM 0 H ASP A 48 5.856 -18.828 -6.954 1.00 6.81 H new ATOM 0 HA ASP A 48 6.873 -17.410 -4.668 1.00 7.22 H new ATOM 0 HB2 ASP A 48 6.326 -19.548 -3.493 1.00 7.72 H new ATOM 0 HB3 ASP A 48 4.977 -18.801 -4.324 1.00 7.72 H new ATOM 318 N ILE A 49 9.257 -17.963 -5.244 1.00 7.75 N ATOM 319 CA ILE A 49 10.673 -18.261 -5.118 1.00 8.31 C ATOM 320 C ILE A 49 11.282 -17.427 -3.999 1.00 8.64 C ATOM 321 O ILE A 49 12.029 -17.935 -3.167 1.00 9.15 O ATOM 322 CB ILE A 49 11.327 -18.046 -6.255 1.00 8.70 C ATOM 323 CG1 ILE A 49 10.913 -16.726 -6.916 1.00 8.59 C ATOM 324 CG2 ILE A 49 11.118 -19.218 -7.205 1.00 9.24 C ATOM 325 CD1 ILE A 49 11.637 -16.444 -8.214 1.00 9.12 C ATOM 0 H ILE A 49 9.054 -16.978 -5.413 1.00 7.75 H new ATOM 0 HA ILE A 49 10.769 -19.320 -4.878 1.00 8.31 H new ATOM 0 HB ILE A 49 12.388 -17.963 -6.020 1.00 8.70 H new ATOM 0 HG12 ILE A 49 9.840 -16.745 -7.105 1.00 8.59 H new ATOM 0 HG13 ILE A 49 11.099 -15.907 -6.221 1.00 8.59 H new ATOM 0 HG21 ILE A 49 11.657 -19.034 -8.134 1.00 9.24 H new ATOM 0 HG22 ILE A 49 11.492 -20.132 -6.743 1.00 9.24 H new ATOM 0 HG23 ILE A 49 10.055 -19.328 -7.418 1.00 9.24 H new ATOM 0 HD11 ILE A 49 11.293 -15.494 -8.624 1.00 9.12 H new ATOM 0 HD12 ILE A 49 12.710 -16.392 -8.028 1.00 9.12 H new ATOM 0 HD13 ILE A 49 11.431 -17.243 -8.927 1.00 9.12 H new ATOM 337 N THR A 50 10.880 -16.163 -3.932 1.00 8.56 N ATOM 338 CA THR A 50 11.356 -15.253 -2.900 1.00 9.03 C ATOM 339 C THR A 50 10.366 -15.223 -1.724 1.00 9.23 C ATOM 340 O THR A 50 9.947 -14.165 -1.242 1.00 9.50 O ATOM 341 CB THR A 50 11.574 -14.026 -3.392 1.00 9.31 C ATOM 342 OG1 THR A 50 12.064 -13.144 -2.369 1.00 9.41 O ATOM 343 CG2 THR A 50 10.331 -13.425 -4.048 1.00 9.82 C ATOM 0 H THR A 50 10.220 -15.744 -4.587 1.00 8.56 H new ATOM 0 HA THR A 50 12.314 -15.621 -2.531 1.00 9.03 H new ATOM 0 HB THR A 50 12.332 -14.135 -4.168 1.00 9.31 H new ATOM 0 HG1 THR A 50 11.425 -13.118 -1.626 1.00 9.41 H new ATOM 0 HG21 THR A 50 10.565 -12.431 -4.429 1.00 9.82 H new ATOM 0 HG22 THR A 50 10.010 -14.063 -4.872 1.00 9.82 H new ATOM 0 HG23 THR A 50 9.530 -13.352 -3.312 1.00 9.82 H new ATOM 351 N GLY A 51 9.995 -16.413 -1.270 1.00 9.30 N ATOM 352 CA GLY A 51 9.013 -16.535 -0.213 1.00 9.62 C ATOM 353 C GLY A 51 7.711 -17.100 -0.734 1.00 9.32 C ATOM 354 O GLY A 51 7.036 -16.468 -1.548 1.00 9.37 O ATOM 0 H GLY A 51 10.360 -17.300 -1.618 1.00 9.30 H new ATOM 0 HA2 GLY A 51 9.402 -17.180 0.575 1.00 9.62 H new ATOM 0 HA3 GLY A 51 8.834 -15.557 0.235 1.00 9.62 H new ATOM 358 N ARG A 52 7.363 -18.299 -0.287 1.00 9.21 N ATOM 359 CA ARG A 52 6.158 -18.964 -0.757 1.00 9.00 C ATOM 360 C ARG A 52 4.914 -18.428 -0.068 1.00 8.48 C ATOM 361 O ARG A 52 4.670 -18.704 1.109 1.00 8.73 O ATOM 362 CB ARG A 52 6.250 -20.479 -0.564 1.00 9.54 C ATOM 363 CG ARG A 52 7.002 -21.176 -1.684 1.00 10.23 C ATOM 364 CD ARG A 52 6.851 -22.688 -1.620 1.00 10.92 C ATOM 365 NE ARG A 52 6.995 -23.292 -2.944 1.00 11.43 N ATOM 366 CZ ARG A 52 7.282 -24.574 -3.164 1.00 12.12 C ATOM 367 NH1 ARG A 52 7.480 -25.400 -2.147 1.00 12.40 N ATOM 368 NH2 ARG A 52 7.363 -25.031 -4.410 1.00 12.72 N ATOM 0 H ARG A 52 7.898 -18.830 0.400 1.00 9.21 H new ATOM 0 HA ARG A 52 6.075 -18.751 -1.823 1.00 9.00 H new ATOM 0 HB2 ARG A 52 6.745 -20.689 0.384 1.00 9.54 H new ATOM 0 HB3 ARG A 52 5.244 -20.893 -0.497 1.00 9.54 H new ATOM 0 HG2 ARG A 52 6.635 -20.816 -2.645 1.00 10.23 H new ATOM 0 HG3 ARG A 52 8.059 -20.915 -1.628 1.00 10.23 H new ATOM 0 HD2 ARG A 52 7.600 -23.102 -0.945 1.00 10.92 H new ATOM 0 HD3 ARG A 52 5.875 -22.941 -1.206 1.00 10.92 H new ATOM 0 HE ARG A 52 6.867 -22.689 -3.757 1.00 11.43 H new ATOM 0 HH11 ARG A 52 7.413 -25.055 -1.189 1.00 12.40 H new ATOM 0 HH12 ARG A 52 7.699 -26.381 -2.322 1.00 12.40 H new ATOM 0 HH21 ARG A 52 7.205 -24.400 -5.196 1.00 12.72 H new ATOM 0 HH22 ARG A 52 7.583 -26.012 -4.580 1.00 12.72 H new ATOM 382 N ASP A 53 4.141 -17.648 -0.805 1.00 7.97 N ATOM 383 CA ASP A 53 2.859 -17.158 -0.323 1.00 7.57 C ATOM 384 C ASP A 53 1.750 -17.753 -1.181 1.00 7.11 C ATOM 385 O ASP A 53 1.806 -17.675 -2.408 1.00 6.96 O ATOM 386 CB ASP A 53 2.807 -15.628 -0.388 1.00 7.63 C ATOM 387 CG ASP A 53 1.695 -15.041 0.464 1.00 7.90 C ATOM 388 OD1 ASP A 53 2.004 -14.250 1.376 1.00 8.01 O ATOM 389 OD2 ASP A 53 0.510 -15.364 0.239 1.00 8.24 O ATOM 0 H ASP A 53 4.381 -17.338 -1.747 1.00 7.97 H new ATOM 0 HA ASP A 53 2.727 -17.459 0.716 1.00 7.57 H new ATOM 0 HB2 ASP A 53 3.764 -15.222 -0.059 1.00 7.63 H new ATOM 0 HB3 ASP A 53 2.668 -15.317 -1.423 1.00 7.63 H new ATOM 394 N PRO A 54 0.742 -18.379 -0.557 1.00 7.19 N ATOM 395 CA PRO A 54 -0.372 -18.999 -1.283 1.00 7.04 C ATOM 396 C PRO A 54 -1.340 -17.973 -1.870 1.00 6.40 C ATOM 397 O PRO A 54 -2.292 -18.330 -2.567 1.00 6.42 O ATOM 398 CB PRO A 54 -1.068 -19.835 -0.207 1.00 7.72 C ATOM 399 CG PRO A 54 -0.762 -19.136 1.072 1.00 8.11 C ATOM 400 CD PRO A 54 0.611 -18.544 0.904 1.00 7.77 C ATOM 0 HA PRO A 54 -0.025 -19.576 -2.140 1.00 7.04 H new ATOM 0 HB2 PRO A 54 -2.143 -19.889 -0.381 1.00 7.72 H new ATOM 0 HB3 PRO A 54 -0.694 -20.859 -0.198 1.00 7.72 H new ATOM 0 HG2 PRO A 54 -1.499 -18.360 1.278 1.00 8.11 H new ATOM 0 HG3 PRO A 54 -0.787 -19.830 1.912 1.00 8.11 H new ATOM 0 HD2 PRO A 54 0.703 -17.591 1.425 1.00 7.77 H new ATOM 0 HD3 PRO A 54 1.383 -19.202 1.304 1.00 7.77 H new ATOM 408 N LYS A 55 -1.103 -16.700 -1.583 1.00 6.12 N ATOM 409 CA LYS A 55 -1.982 -15.642 -2.052 1.00 5.80 C ATOM 410 C LYS A 55 -1.214 -14.648 -2.913 1.00 5.33 C ATOM 411 O LYS A 55 -0.627 -13.691 -2.405 1.00 5.67 O ATOM 412 CB LYS A 55 -2.626 -14.920 -0.866 1.00 6.46 C ATOM 413 CG LYS A 55 -3.175 -15.862 0.194 1.00 7.19 C ATOM 414 CD LYS A 55 -3.755 -15.103 1.375 1.00 8.01 C ATOM 415 CE LYS A 55 -2.759 -14.111 1.961 1.00 8.64 C ATOM 416 NZ LYS A 55 -1.474 -14.752 2.359 1.00 9.24 N ATOM 0 H LYS A 55 -0.310 -16.377 -1.028 1.00 6.12 H new ATOM 0 HA LYS A 55 -2.767 -16.094 -2.659 1.00 5.80 H new ATOM 0 HB2 LYS A 55 -1.888 -14.261 -0.408 1.00 6.46 H new ATOM 0 HB3 LYS A 55 -3.435 -14.287 -1.232 1.00 6.46 H new ATOM 0 HG2 LYS A 55 -3.946 -16.495 -0.246 1.00 7.19 H new ATOM 0 HG3 LYS A 55 -2.380 -16.522 0.541 1.00 7.19 H new ATOM 0 HD2 LYS A 55 -4.653 -14.571 1.059 1.00 8.01 H new ATOM 0 HD3 LYS A 55 -4.059 -15.810 2.147 1.00 8.01 H new ATOM 0 HE2 LYS A 55 -2.558 -13.329 1.229 1.00 8.64 H new ATOM 0 HE3 LYS A 55 -3.203 -13.627 2.831 1.00 8.64 H new ATOM 0 HZ1 LYS A 55 -0.970 -14.134 3.026 1.00 9.24 H new ATOM 0 HZ2 LYS A 55 -1.669 -15.667 2.814 1.00 9.24 H new ATOM 0 HZ3 LYS A 55 -0.885 -14.903 1.515 1.00 9.24 H new ATOM 430 N GLN A 56 -1.197 -14.896 -4.219 1.00 4.97 N ATOM 431 CA GLN A 56 -0.524 -14.005 -5.157 1.00 4.93 C ATOM 432 C GLN A 56 -1.396 -12.786 -5.443 1.00 4.31 C ATOM 433 O GLN A 56 -0.917 -11.754 -5.913 1.00 4.54 O ATOM 434 CB GLN A 56 -0.195 -14.745 -6.457 1.00 5.58 C ATOM 435 CG GLN A 56 0.704 -15.957 -6.255 1.00 6.20 C ATOM 436 CD GLN A 56 1.054 -16.651 -7.556 1.00 6.94 C ATOM 437 OE1 GLN A 56 0.343 -17.550 -8.008 1.00 7.39 O ATOM 438 NE2 GLN A 56 2.158 -16.248 -8.161 1.00 7.40 N ATOM 0 H GLN A 56 -1.641 -15.706 -4.651 1.00 4.97 H new ATOM 0 HA GLN A 56 0.410 -13.668 -4.708 1.00 4.93 H new ATOM 0 HB2 GLN A 56 -1.124 -15.066 -6.928 1.00 5.58 H new ATOM 0 HB3 GLN A 56 0.290 -14.054 -7.147 1.00 5.58 H new ATOM 0 HG2 GLN A 56 1.622 -15.644 -5.757 1.00 6.20 H new ATOM 0 HG3 GLN A 56 0.207 -16.666 -5.592 1.00 6.20 H new ATOM 0 HE21 GLN A 56 2.719 -15.500 -7.753 1.00 7.40 H new ATOM 0 HE22 GLN A 56 2.449 -16.685 -9.035 1.00 7.40 H new ATOM 447 N VAL A 57 -2.687 -12.930 -5.174 1.00 3.91 N ATOM 448 CA VAL A 57 -3.632 -11.831 -5.277 1.00 3.65 C ATOM 449 C VAL A 57 -4.329 -11.666 -3.923 1.00 2.70 C ATOM 450 O VAL A 57 -4.373 -12.627 -3.150 1.00 3.03 O ATOM 451 CB VAL A 57 -4.542 -12.045 -6.232 1.00 4.38 C ATOM 452 CG1 VAL A 57 -5.355 -10.788 -6.531 1.00 5.06 C ATOM 453 CG2 VAL A 57 -3.908 -12.574 -7.512 1.00 4.94 C ATOM 0 H VAL A 57 -3.106 -13.812 -4.879 1.00 3.91 H new ATOM 0 HA VAL A 57 -3.088 -10.925 -5.546 1.00 3.65 H new ATOM 0 HB VAL A 57 -5.219 -12.808 -5.847 1.00 4.38 H new ATOM 0 HG11 VAL A 57 -6.084 -11.003 -7.313 1.00 5.06 H new ATOM 0 HG12 VAL A 57 -5.875 -10.468 -5.628 1.00 5.06 H new ATOM 0 HG13 VAL A 57 -4.687 -9.994 -6.866 1.00 5.06 H new ATOM 0 HG21 VAL A 57 -4.682 -12.734 -8.262 1.00 4.94 H new ATOM 0 HG22 VAL A 57 -3.185 -11.849 -7.886 1.00 4.94 H new ATOM 0 HG23 VAL A 57 -3.403 -13.517 -7.305 1.00 4.94 H new ATOM 463 N ILE A 58 -4.806 -10.441 -3.624 1.00 2.02 N ATOM 464 CA ILE A 58 -5.492 -10.104 -2.364 1.00 1.38 C ATOM 465 C ILE A 58 -4.862 -10.801 -1.150 1.00 1.46 C ATOM 466 O ILE A 58 -5.406 -11.739 -0.561 1.00 1.83 O ATOM 467 CB ILE A 58 -6.827 -10.280 -2.427 1.00 1.94 C ATOM 468 CG1 ILE A 58 -7.503 -9.850 -1.119 1.00 2.47 C ATOM 469 CG2 ILE A 58 -7.230 -11.709 -2.803 1.00 2.66 C ATOM 470 CD1 ILE A 58 -9.012 -9.966 -1.145 1.00 3.17 C ATOM 0 H ILE A 58 -4.724 -9.648 -4.261 1.00 2.02 H new ATOM 0 HA ILE A 58 -5.341 -9.034 -2.218 1.00 1.38 H new ATOM 0 HB ILE A 58 -7.180 -9.637 -3.233 1.00 1.94 H new ATOM 0 HG12 ILE A 58 -7.115 -10.459 -0.303 1.00 2.47 H new ATOM 0 HG13 ILE A 58 -7.231 -8.817 -0.903 1.00 2.47 H new ATOM 0 HG21 ILE A 58 -8.317 -11.784 -2.836 1.00 2.66 H new ATOM 0 HG22 ILE A 58 -6.819 -11.957 -3.781 1.00 2.66 H new ATOM 0 HG23 ILE A 58 -6.841 -12.404 -2.059 1.00 2.66 H new ATOM 0 HD11 ILE A 58 -9.418 -9.644 -0.186 1.00 3.17 H new ATOM 0 HD12 ILE A 58 -9.412 -9.335 -1.938 1.00 3.17 H new ATOM 0 HD13 ILE A 58 -9.294 -11.003 -1.329 1.00 3.17 H new ATOM 482 N GLY A 59 -3.695 -10.300 -0.776 1.00 1.92 N ATOM 483 CA GLY A 59 -3.002 -10.810 0.389 1.00 2.81 C ATOM 484 C GLY A 59 -3.735 -10.475 1.670 1.00 2.70 C ATOM 485 O GLY A 59 -3.667 -11.215 2.649 1.00 3.24 O ATOM 0 H GLY A 59 -3.212 -9.544 -1.262 1.00 1.92 H new ATOM 0 HA2 GLY A 59 -2.895 -11.891 0.304 1.00 2.81 H new ATOM 0 HA3 GLY A 59 -1.996 -10.392 0.426 1.00 2.81 H new ATOM 489 N LYS A 60 -4.457 -9.364 1.658 1.00 2.08 N ATOM 490 CA LYS A 60 -5.209 -8.948 2.817 1.00 2.08 C ATOM 491 C LYS A 60 -6.667 -9.342 2.659 1.00 2.02 C ATOM 492 O LYS A 60 -7.462 -8.604 2.076 1.00 1.74 O ATOM 493 CB LYS A 60 -5.073 -7.439 3.008 1.00 1.96 C ATOM 494 CG LYS A 60 -5.907 -6.879 4.149 1.00 2.22 C ATOM 495 CD LYS A 60 -5.468 -7.443 5.488 1.00 2.80 C ATOM 496 CE LYS A 60 -6.334 -6.923 6.621 1.00 3.43 C ATOM 497 NZ LYS A 60 -6.364 -5.436 6.677 1.00 3.85 N ATOM 0 H LYS A 60 -4.534 -8.739 0.855 1.00 2.08 H new ATOM 0 HA LYS A 60 -4.813 -9.446 3.702 1.00 2.08 H new ATOM 0 HB2 LYS A 60 -4.025 -7.199 3.187 1.00 1.96 H new ATOM 0 HB3 LYS A 60 -5.361 -6.939 2.083 1.00 1.96 H new ATOM 0 HG2 LYS A 60 -5.821 -5.793 4.165 1.00 2.22 H new ATOM 0 HG3 LYS A 60 -6.958 -7.113 3.982 1.00 2.22 H new ATOM 0 HD2 LYS A 60 -5.519 -8.531 5.460 1.00 2.80 H new ATOM 0 HD3 LYS A 60 -4.427 -7.177 5.673 1.00 2.80 H new ATOM 0 HE2 LYS A 60 -7.350 -7.300 6.500 1.00 3.43 H new ATOM 0 HE3 LYS A 60 -5.960 -7.312 7.568 1.00 3.43 H new ATOM 0 HZ1 LYS A 60 -6.954 -5.131 7.477 1.00 3.85 H new ATOM 0 HZ2 LYS A 60 -5.397 -5.074 6.802 1.00 3.85 H new ATOM 0 HZ3 LYS A 60 -6.762 -5.063 5.791 1.00 3.85 H new ATOM 511 N ASN A 61 -6.996 -10.529 3.141 1.00 2.50 N ATOM 512 CA ASN A 61 -8.373 -11.001 3.128 1.00 2.76 C ATOM 513 C ASN A 61 -9.001 -10.761 4.492 1.00 3.11 C ATOM 514 O ASN A 61 -8.742 -11.495 5.449 1.00 3.53 O ATOM 515 CB ASN A 61 -8.454 -12.491 2.760 1.00 3.24 C ATOM 516 CG ASN A 61 -9.882 -12.973 2.526 1.00 3.68 C ATOM 517 OD1 ASN A 61 -10.842 -12.443 3.089 1.00 4.05 O ATOM 518 ND2 ASN A 61 -10.032 -13.984 1.687 1.00 4.18 N ATOM 0 H ASN A 61 -6.329 -11.185 3.547 1.00 2.50 H new ATOM 0 HA ASN A 61 -8.921 -10.445 2.367 1.00 2.76 H new ATOM 0 HB2 ASN A 61 -7.865 -12.669 1.861 1.00 3.24 H new ATOM 0 HB3 ASN A 61 -8.004 -13.081 3.558 1.00 3.24 H new ATOM 0 HD21 ASN A 61 -10.964 -14.348 1.489 1.00 4.18 H new ATOM 0 HD22 ASN A 61 -9.216 -14.400 1.238 1.00 4.18 H new ATOM 525 N PHE A 62 -9.797 -9.714 4.582 1.00 3.09 N ATOM 526 CA PHE A 62 -10.470 -9.359 5.817 1.00 3.55 C ATOM 527 C PHE A 62 -11.705 -8.538 5.473 1.00 4.05 C ATOM 528 O PHE A 62 -11.937 -8.234 4.302 1.00 4.38 O ATOM 529 CB PHE A 62 -9.514 -8.553 6.705 1.00 4.05 C ATOM 530 CG PHE A 62 -9.760 -8.691 8.181 1.00 4.80 C ATOM 531 CD1 PHE A 62 -10.512 -7.752 8.869 1.00 5.37 C ATOM 532 CD2 PHE A 62 -9.228 -9.760 8.884 1.00 5.28 C ATOM 533 CE1 PHE A 62 -10.727 -7.877 10.229 1.00 6.27 C ATOM 534 CE2 PHE A 62 -9.441 -9.890 10.242 1.00 6.21 C ATOM 535 CZ PHE A 62 -10.191 -8.947 10.915 1.00 6.66 C ATOM 0 H PHE A 62 -9.996 -9.086 3.803 1.00 3.09 H new ATOM 0 HA PHE A 62 -10.771 -10.254 6.361 1.00 3.55 H new ATOM 0 HB2 PHE A 62 -8.492 -8.864 6.490 1.00 4.05 H new ATOM 0 HB3 PHE A 62 -9.590 -7.500 6.435 1.00 4.05 H new ATOM 0 HD1 PHE A 62 -10.935 -6.913 8.337 1.00 5.37 H new ATOM 0 HD2 PHE A 62 -8.639 -10.501 8.363 1.00 5.28 H new ATOM 0 HE1 PHE A 62 -11.314 -7.138 10.754 1.00 6.27 H new ATOM 0 HE2 PHE A 62 -9.021 -10.729 10.777 1.00 6.21 H new ATOM 0 HZ PHE A 62 -10.358 -9.047 11.977 1.00 6.66 H new ATOM 545 N PHE A 63 -12.510 -8.201 6.464 1.00 4.57 N ATOM 546 CA PHE A 63 -13.621 -7.294 6.234 1.00 5.42 C ATOM 547 C PHE A 63 -13.136 -5.856 6.382 1.00 5.92 C ATOM 548 O PHE A 63 -13.117 -5.092 5.418 1.00 6.42 O ATOM 549 CB PHE A 63 -14.769 -7.584 7.202 1.00 6.08 C ATOM 550 CG PHE A 63 -16.009 -6.787 6.913 1.00 6.58 C ATOM 551 CD1 PHE A 63 -16.472 -5.843 7.815 1.00 7.21 C ATOM 552 CD2 PHE A 63 -16.710 -6.981 5.733 1.00 6.73 C ATOM 553 CE1 PHE A 63 -17.611 -5.107 7.546 1.00 7.98 C ATOM 554 CE2 PHE A 63 -17.848 -6.248 5.459 1.00 7.51 C ATOM 555 CZ PHE A 63 -18.300 -5.309 6.365 1.00 8.13 C ATOM 0 H PHE A 63 -12.419 -8.536 7.423 1.00 4.57 H new ATOM 0 HA PHE A 63 -13.999 -7.441 5.222 1.00 5.42 H new ATOM 0 HB2 PHE A 63 -15.011 -8.646 7.160 1.00 6.08 H new ATOM 0 HB3 PHE A 63 -14.439 -7.373 8.219 1.00 6.08 H new ATOM 0 HD1 PHE A 63 -15.937 -5.680 8.739 1.00 7.21 H new ATOM 0 HD2 PHE A 63 -16.362 -7.714 5.020 1.00 6.73 H new ATOM 0 HE1 PHE A 63 -17.962 -4.375 8.258 1.00 7.98 H new ATOM 0 HE2 PHE A 63 -18.385 -6.409 4.536 1.00 7.51 H new ATOM 0 HZ PHE A 63 -19.189 -4.734 6.151 1.00 8.13 H new ATOM 565 N LYS A 64 -12.742 -5.507 7.596 1.00 6.06 N ATOM 566 CA LYS A 64 -12.124 -4.220 7.885 1.00 6.71 C ATOM 567 C LYS A 64 -11.578 -4.244 9.306 1.00 6.68 C ATOM 568 O LYS A 64 -12.188 -4.833 10.199 1.00 6.92 O ATOM 569 CB LYS A 64 -13.112 -3.060 7.695 1.00 7.46 C ATOM 570 CG LYS A 64 -14.357 -3.149 8.562 1.00 8.15 C ATOM 571 CD LYS A 64 -15.364 -2.065 8.202 1.00 8.91 C ATOM 572 CE LYS A 64 -15.825 -2.188 6.758 1.00 9.51 C ATOM 573 NZ LYS A 64 -16.870 -1.192 6.418 1.00 10.05 N ATOM 0 H LYS A 64 -12.842 -6.110 8.413 1.00 6.06 H new ATOM 0 HA LYS A 64 -11.308 -4.054 7.182 1.00 6.71 H new ATOM 0 HB2 LYS A 64 -12.599 -2.123 7.911 1.00 7.46 H new ATOM 0 HB3 LYS A 64 -13.414 -3.024 6.648 1.00 7.46 H new ATOM 0 HG2 LYS A 64 -14.817 -4.130 8.441 1.00 8.15 H new ATOM 0 HG3 LYS A 64 -14.079 -3.055 9.612 1.00 8.15 H new ATOM 0 HD2 LYS A 64 -16.225 -2.132 8.867 1.00 8.91 H new ATOM 0 HD3 LYS A 64 -14.916 -1.084 8.359 1.00 8.91 H new ATOM 0 HE2 LYS A 64 -14.971 -2.058 6.093 1.00 9.51 H new ATOM 0 HE3 LYS A 64 -16.213 -3.192 6.586 1.00 9.51 H new ATOM 0 HZ1 LYS A 64 -17.154 -1.312 5.425 1.00 10.05 H new ATOM 0 HZ2 LYS A 64 -17.696 -1.332 7.034 1.00 10.05 H new ATOM 0 HZ3 LYS A 64 -16.493 -0.233 6.556 1.00 10.05 H new ATOM 587 N ASP A 65 -10.423 -3.636 9.509 1.00 6.69 N ATOM 588 CA ASP A 65 -9.752 -3.703 10.800 1.00 6.98 C ATOM 589 C ASP A 65 -8.878 -2.484 11.017 1.00 7.54 C ATOM 590 O ASP A 65 -8.709 -1.653 10.118 1.00 7.94 O ATOM 591 CB ASP A 65 -8.876 -4.956 10.888 1.00 7.04 C ATOM 592 CG ASP A 65 -7.676 -4.876 9.960 1.00 7.56 C ATOM 593 OD1 ASP A 65 -6.600 -4.418 10.404 1.00 7.91 O ATOM 594 OD2 ASP A 65 -7.813 -5.244 8.777 1.00 7.87 O ATOM 0 H ASP A 65 -9.930 -3.092 8.801 1.00 6.69 H new ATOM 0 HA ASP A 65 -10.524 -3.739 11.569 1.00 6.98 H new ATOM 0 HB2 ASP A 65 -8.533 -5.087 11.914 1.00 7.04 H new ATOM 0 HB3 ASP A 65 -9.472 -5.833 10.636 1.00 7.04 H new ATOM 599 N VAL A 66 -8.321 -2.390 12.219 1.00 7.81 N ATOM 600 CA VAL A 66 -7.363 -1.351 12.561 1.00 8.51 C ATOM 601 C VAL A 66 -6.147 -1.954 13.258 1.00 8.76 C ATOM 602 O VAL A 66 -5.591 -1.364 14.189 1.00 9.29 O ATOM 603 CB VAL A 66 -7.892 -0.412 13.344 1.00 8.83 C ATOM 604 CG1 VAL A 66 -8.833 0.487 12.555 1.00 9.35 C ATOM 605 CG2 VAL A 66 -8.613 -1.021 14.542 1.00 8.99 C ATOM 0 H VAL A 66 -8.523 -3.034 12.984 1.00 7.81 H new ATOM 0 HA VAL A 66 -7.063 -0.882 11.624 1.00 8.51 H new ATOM 0 HB VAL A 66 -7.071 0.196 13.724 1.00 8.83 H new ATOM 0 HG11 VAL A 66 -9.252 1.245 13.217 1.00 9.35 H new ATOM 0 HG12 VAL A 66 -8.282 0.973 11.749 1.00 9.35 H new ATOM 0 HG13 VAL A 66 -9.640 -0.112 12.133 1.00 9.35 H new ATOM 0 HG21 VAL A 66 -9.032 -0.225 15.158 1.00 8.99 H new ATOM 0 HG22 VAL A 66 -9.416 -1.670 14.192 1.00 8.99 H new ATOM 0 HG23 VAL A 66 -7.907 -1.604 15.133 1.00 8.99 H new ATOM 615 N ALA A 67 -5.736 -3.140 12.816 1.00 8.55 N ATOM 616 CA ALA A 67 -4.639 -3.844 13.464 1.00 8.92 C ATOM 617 C ALA A 67 -3.948 -4.824 12.520 1.00 9.09 C ATOM 618 O ALA A 67 -4.394 -5.960 12.356 1.00 9.14 O ATOM 619 CB ALA A 67 -5.141 -4.581 14.699 1.00 9.16 C ATOM 0 H ALA A 67 -6.144 -3.628 12.019 1.00 8.55 H new ATOM 0 HA ALA A 67 -3.904 -3.095 13.759 1.00 8.92 H new ATOM 0 HB1 ALA A 67 -4.310 -5.103 15.174 1.00 9.16 H new ATOM 0 HB2 ALA A 67 -5.569 -3.865 15.401 1.00 9.16 H new ATOM 0 HB3 ALA A 67 -5.904 -5.303 14.407 1.00 9.16 H new ATOM 625 N PRO A 68 -2.859 -4.390 11.870 1.00 9.42 N ATOM 626 CA PRO A 68 -2.011 -5.282 11.079 1.00 9.81 C ATOM 627 C PRO A 68 -1.275 -6.271 11.981 1.00 10.00 C ATOM 628 O PRO A 68 -0.307 -5.909 12.656 1.00 10.26 O ATOM 629 CB PRO A 68 -1.020 -4.337 10.384 1.00 10.35 C ATOM 630 CG PRO A 68 -1.586 -2.965 10.561 1.00 10.29 C ATOM 631 CD PRO A 68 -2.374 -3.006 11.839 1.00 9.70 C ATOM 0 HA PRO A 68 -2.582 -5.884 10.372 1.00 9.81 H new ATOM 0 HB2 PRO A 68 -0.028 -4.413 10.829 1.00 10.35 H new ATOM 0 HB3 PRO A 68 -0.916 -4.585 9.328 1.00 10.35 H new ATOM 0 HG2 PRO A 68 -0.793 -2.219 10.615 1.00 10.29 H new ATOM 0 HG3 PRO A 68 -2.222 -2.693 9.719 1.00 10.29 H new ATOM 0 HD2 PRO A 68 -1.754 -2.774 12.705 1.00 9.70 H new ATOM 0 HD3 PRO A 68 -3.195 -2.289 11.833 1.00 9.70 H new ATOM 639 N CYS A 69 -1.759 -7.505 12.011 1.00 10.09 N ATOM 640 CA CYS A 69 -1.223 -8.522 12.910 1.00 10.43 C ATOM 641 C CYS A 69 0.136 -9.044 12.451 1.00 10.35 C ATOM 642 O CYS A 69 1.155 -8.791 13.096 1.00 10.58 O ATOM 643 CB CYS A 69 -2.218 -9.675 13.068 1.00 10.98 C ATOM 644 SG CYS A 69 -3.546 -9.331 14.268 1.00 11.49 S ATOM 0 H CYS A 69 -2.525 -7.829 11.421 1.00 10.09 H new ATOM 0 HA CYS A 69 -1.072 -8.047 13.880 1.00 10.43 H new ATOM 0 HB2 CYS A 69 -2.664 -9.895 12.098 1.00 10.98 H new ATOM 0 HB3 CYS A 69 -1.679 -10.569 13.381 1.00 10.98 H new ATOM 649 N THR A 70 0.156 -9.775 11.351 1.00 10.23 N ATOM 650 CA THR A 70 1.384 -10.380 10.865 1.00 10.31 C ATOM 651 C THR A 70 2.171 -9.423 9.976 1.00 10.28 C ATOM 652 O THR A 70 3.389 -9.284 10.124 1.00 10.36 O ATOM 653 CB THR A 70 1.114 -11.481 10.195 1.00 10.47 C ATOM 654 OG1 THR A 70 -0.054 -11.279 9.377 1.00 10.95 O ATOM 655 CG2 THR A 70 0.903 -12.658 11.133 1.00 10.51 C ATOM 0 H THR A 70 -0.665 -9.965 10.776 1.00 10.23 H new ATOM 0 HA THR A 70 1.997 -10.619 11.734 1.00 10.31 H new ATOM 0 HB THR A 70 1.966 -11.712 9.556 1.00 10.47 H new ATOM 0 HG1 THR A 70 -0.250 -12.100 8.879 1.00 10.95 H new ATOM 0 HG21 THR A 70 0.682 -13.552 10.551 1.00 10.51 H new ATOM 0 HG22 THR A 70 1.807 -12.822 11.720 1.00 10.51 H new ATOM 0 HG23 THR A 70 0.069 -12.445 11.802 1.00 10.51 H new ATOM 663 N ASP A 71 1.457 -8.733 9.092 1.00 10.38 N ATOM 664 CA ASP A 71 2.067 -7.840 8.110 1.00 10.55 C ATOM 665 C ASP A 71 2.919 -6.772 8.782 1.00 10.46 C ATOM 666 O ASP A 71 2.410 -5.904 9.493 1.00 10.82 O ATOM 667 CB ASP A 71 0.986 -7.184 7.251 1.00 11.00 C ATOM 668 CG ASP A 71 0.070 -8.202 6.610 1.00 11.33 C ATOM 669 OD1 ASP A 71 -1.027 -8.441 7.156 1.00 11.56 O ATOM 670 OD2 ASP A 71 0.456 -8.794 5.577 1.00 11.54 O ATOM 0 H ASP A 71 0.439 -8.776 9.035 1.00 10.38 H new ATOM 0 HA ASP A 71 2.719 -8.439 7.474 1.00 10.55 H new ATOM 0 HB2 ASP A 71 0.397 -6.505 7.867 1.00 11.00 H new ATOM 0 HB3 ASP A 71 1.457 -6.582 6.474 1.00 11.00 H new ATOM 675 N SER A 72 4.221 -6.856 8.560 1.00 10.16 N ATOM 676 CA SER A 72 5.168 -5.916 9.145 1.00 10.18 C ATOM 677 C SER A 72 5.428 -4.700 8.237 1.00 9.81 C ATOM 678 O SER A 72 5.486 -3.576 8.736 1.00 9.67 O ATOM 679 CB SER A 72 6.479 -6.633 9.473 1.00 10.51 C ATOM 680 OG SER A 72 6.251 -7.701 10.380 1.00 10.96 O ATOM 0 H SER A 72 4.650 -7.572 7.974 1.00 10.16 H new ATOM 0 HA SER A 72 4.724 -5.533 10.064 1.00 10.18 H new ATOM 0 HB2 SER A 72 6.929 -7.016 8.557 1.00 10.51 H new ATOM 0 HB3 SER A 72 7.188 -5.927 9.905 1.00 10.51 H new ATOM 0 HG SER A 72 7.100 -8.149 10.577 1.00 10.96 H new ATOM 686 N PRO A 73 5.626 -4.887 6.908 1.00 9.90 N ATOM 687 CA PRO A 73 5.795 -3.761 5.976 1.00 9.80 C ATOM 688 C PRO A 73 4.593 -2.812 5.978 1.00 9.46 C ATOM 689 O PRO A 73 3.501 -3.169 5.540 1.00 9.61 O ATOM 690 CB PRO A 73 5.940 -4.436 4.608 1.00 10.31 C ATOM 691 CG PRO A 73 6.391 -5.820 4.909 1.00 10.68 C ATOM 692 CD PRO A 73 5.739 -6.183 6.209 1.00 10.39 C ATOM 0 HA PRO A 73 6.648 -3.140 6.249 1.00 9.80 H new ATOM 0 HB2 PRO A 73 4.994 -4.438 4.066 1.00 10.31 H new ATOM 0 HB3 PRO A 73 6.664 -3.912 3.984 1.00 10.31 H new ATOM 0 HG2 PRO A 73 6.097 -6.509 4.117 1.00 10.68 H new ATOM 0 HG3 PRO A 73 7.477 -5.870 4.988 1.00 10.68 H new ATOM 0 HD2 PRO A 73 4.763 -6.643 6.054 1.00 10.39 H new ATOM 0 HD3 PRO A 73 6.340 -6.894 6.775 1.00 10.39 H new ATOM 700 N GLU A 74 4.808 -1.605 6.481 1.00 9.22 N ATOM 701 CA GLU A 74 3.754 -0.604 6.573 1.00 9.06 C ATOM 702 C GLU A 74 3.966 0.477 5.517 1.00 8.23 C ATOM 703 O GLU A 74 4.832 1.339 5.661 1.00 8.21 O ATOM 704 CB GLU A 74 3.755 0.008 7.973 1.00 9.74 C ATOM 705 CG GLU A 74 3.616 -1.028 9.077 1.00 10.53 C ATOM 706 CD GLU A 74 4.180 -0.556 10.401 1.00 11.29 C ATOM 707 OE1 GLU A 74 5.396 -0.260 10.463 1.00 11.57 O ATOM 708 OE2 GLU A 74 3.427 -0.506 11.396 1.00 11.76 O ATOM 0 H GLU A 74 5.712 -1.293 6.835 1.00 9.22 H new ATOM 0 HA GLU A 74 2.788 -1.076 6.393 1.00 9.06 H new ATOM 0 HB2 GLU A 74 4.681 0.564 8.119 1.00 9.74 H new ATOM 0 HB3 GLU A 74 2.937 0.725 8.050 1.00 9.74 H new ATOM 0 HG2 GLU A 74 2.562 -1.277 9.204 1.00 10.53 H new ATOM 0 HG3 GLU A 74 4.126 -1.943 8.776 1.00 10.53 H new ATOM 715 N PHE A 75 3.191 0.410 4.443 1.00 7.77 N ATOM 716 CA PHE A 75 3.330 1.362 3.343 1.00 7.11 C ATOM 717 C PHE A 75 2.140 2.314 3.272 1.00 6.04 C ATOM 718 O PHE A 75 1.903 2.960 2.250 1.00 6.09 O ATOM 719 CB PHE A 75 3.497 0.623 2.015 1.00 7.64 C ATOM 720 CG PHE A 75 4.824 -0.072 1.878 1.00 8.33 C ATOM 721 CD1 PHE A 75 4.939 -1.433 2.114 1.00 8.82 C ATOM 722 CD2 PHE A 75 5.957 0.638 1.511 1.00 8.70 C ATOM 723 CE1 PHE A 75 6.157 -2.070 1.986 1.00 9.64 C ATOM 724 CE2 PHE A 75 7.177 0.005 1.382 1.00 9.54 C ATOM 725 CZ PHE A 75 7.277 -1.352 1.618 1.00 10.00 C ATOM 0 H PHE A 75 2.461 -0.290 4.308 1.00 7.77 H new ATOM 0 HA PHE A 75 4.223 1.958 3.532 1.00 7.11 H new ATOM 0 HB2 PHE A 75 2.699 -0.112 1.915 1.00 7.64 H new ATOM 0 HB3 PHE A 75 3.381 1.333 1.196 1.00 7.64 H new ATOM 0 HD1 PHE A 75 4.066 -2.001 2.401 1.00 8.82 H new ATOM 0 HD2 PHE A 75 5.884 1.699 1.324 1.00 8.70 H new ATOM 0 HE1 PHE A 75 6.234 -3.131 2.174 1.00 9.64 H new ATOM 0 HE2 PHE A 75 8.052 0.570 1.097 1.00 9.54 H new ATOM 0 HZ PHE A 75 8.230 -1.850 1.515 1.00 10.00 H new ATOM 735 N TYR A 76 1.409 2.415 4.367 1.00 5.40 N ATOM 736 CA TYR A 76 0.276 3.324 4.443 1.00 4.59 C ATOM 737 C TYR A 76 0.768 4.728 4.770 1.00 3.79 C ATOM 738 O TYR A 76 1.395 4.944 5.807 1.00 3.92 O ATOM 739 CB TYR A 76 -0.720 2.848 5.505 1.00 4.75 C ATOM 740 CG TYR A 76 -1.301 1.477 5.231 1.00 5.22 C ATOM 741 CD1 TYR A 76 -0.708 0.331 5.751 1.00 5.71 C ATOM 742 CD2 TYR A 76 -2.445 1.327 4.459 1.00 5.53 C ATOM 743 CE1 TYR A 76 -1.236 -0.922 5.505 1.00 6.42 C ATOM 744 CE2 TYR A 76 -2.980 0.077 4.208 1.00 6.25 C ATOM 745 CZ TYR A 76 -2.373 -1.043 4.735 1.00 6.65 C ATOM 746 OH TYR A 76 -2.903 -2.288 4.487 1.00 7.53 O ATOM 0 H TYR A 76 1.579 1.879 5.218 1.00 5.40 H new ATOM 0 HA TYR A 76 -0.233 3.340 3.479 1.00 4.59 H new ATOM 0 HB2 TYR A 76 -0.223 2.834 6.475 1.00 4.75 H new ATOM 0 HB3 TYR A 76 -1.534 3.569 5.575 1.00 4.75 H new ATOM 0 HD1 TYR A 76 0.181 0.422 6.358 1.00 5.71 H new ATOM 0 HD2 TYR A 76 -2.926 2.202 4.047 1.00 5.53 H new ATOM 0 HE1 TYR A 76 -0.761 -1.801 5.914 1.00 6.42 H new ATOM 0 HE2 TYR A 76 -3.869 -0.021 3.602 1.00 6.25 H new ATOM 0 HH TYR A 76 -3.704 -2.197 3.930 1.00 7.53 H new ATOM 756 N GLY A 77 0.487 5.678 3.887 1.00 3.20 N ATOM 757 CA GLY A 77 0.992 7.024 4.074 1.00 2.71 C ATOM 758 C GLY A 77 -0.087 7.964 4.551 1.00 1.94 C ATOM 759 O GLY A 77 -0.769 8.587 3.738 1.00 2.44 O ATOM 0 H GLY A 77 -0.078 5.542 3.049 1.00 3.20 H new ATOM 0 HA2 GLY A 77 1.808 7.009 4.797 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.405 7.391 3.135 1.00 2.71 H new ATOM 763 N LYS A 78 -0.249 8.054 5.874 1.00 1.39 N ATOM 764 CA LYS A 78 -1.302 8.875 6.472 1.00 1.29 C ATOM 765 C LYS A 78 -2.666 8.412 5.964 1.00 1.03 C ATOM 766 O LYS A 78 -3.560 9.217 5.704 1.00 1.02 O ATOM 767 CB LYS A 78 -1.084 10.360 6.149 1.00 2.10 C ATOM 768 CG LYS A 78 0.243 10.921 6.650 1.00 2.61 C ATOM 769 CD LYS A 78 0.382 10.778 8.159 1.00 3.18 C ATOM 770 CE LYS A 78 1.579 11.551 8.693 1.00 3.78 C ATOM 771 NZ LYS A 78 2.864 11.098 8.091 1.00 4.14 N ATOM 0 H LYS A 78 0.338 7.567 6.551 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.266 8.758 7.555 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.139 10.497 5.069 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -1.898 10.938 6.586 1.00 2.10 H new ATOM 0 HG2 LYS A 78 1.066 10.402 6.158 1.00 2.61 H new ATOM 0 HG3 LYS A 78 0.320 11.973 6.376 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -0.527 11.136 8.643 1.00 3.18 H new ATOM 0 HD3 LYS A 78 0.486 9.724 8.416 1.00 3.18 H new ATOM 0 HE2 LYS A 78 1.441 12.613 8.491 1.00 3.78 H new ATOM 0 HE3 LYS A 78 1.628 11.436 9.776 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 3.655 11.595 8.548 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 2.971 10.073 8.232 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 2.864 11.309 7.073 1.00 4.14 H new ATOM 785 N PHE A 79 -2.823 7.094 5.877 1.00 0.95 N ATOM 786 CA PHE A 79 -3.987 6.478 5.242 1.00 0.77 C ATOM 787 C PHE A 79 -5.295 6.953 5.873 1.00 0.70 C ATOM 788 O PHE A 79 -6.337 7.018 5.189 1.00 0.64 O ATOM 789 CB PHE A 79 -3.880 4.950 5.338 1.00 0.88 C ATOM 790 CG PHE A 79 -4.904 4.209 4.524 1.00 0.79 C ATOM 791 CD1 PHE A 79 -6.068 3.735 5.110 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.699 3.985 3.173 1.00 0.78 C ATOM 793 CE1 PHE A 79 -7.006 3.051 4.362 1.00 0.85 C ATOM 794 CE2 PHE A 79 -5.634 3.302 2.421 1.00 0.84 C ATOM 795 CZ PHE A 79 -6.789 2.835 3.015 1.00 0.82 C ATOM 0 H PHE A 79 -2.148 6.423 6.244 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.998 6.781 4.195 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.885 4.645 5.014 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.979 4.655 6.383 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -6.243 3.903 6.163 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.798 4.349 2.702 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -7.908 2.685 4.830 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -5.462 3.133 1.368 1.00 0.84 H new ATOM 0 HZ PHE A 79 -7.522 2.302 2.428 1.00 0.82 H new ATOM 805 N LYS A 80 -5.220 7.330 7.160 1.00 0.82 N ATOM 806 CA LYS A 80 -6.409 7.714 7.916 1.00 0.89 C ATOM 807 C LYS A 80 -6.949 9.043 7.410 1.00 0.81 C ATOM 808 O LYS A 80 -8.159 9.273 7.382 1.00 0.87 O ATOM 809 CB LYS A 80 -6.087 7.809 9.407 1.00 1.12 C ATOM 810 CG LYS A 80 -5.581 6.506 10.004 1.00 1.66 C ATOM 811 CD LYS A 80 -5.199 6.679 11.463 1.00 2.17 C ATOM 812 CE LYS A 80 -4.609 5.406 12.043 1.00 2.87 C ATOM 813 NZ LYS A 80 -5.598 4.297 12.091 1.00 3.48 N ATOM 0 H LYS A 80 -4.350 7.375 7.691 1.00 0.82 H new ATOM 0 HA LYS A 80 -7.171 6.948 7.773 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -5.336 8.585 9.559 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -6.982 8.122 9.944 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -6.351 5.740 9.916 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -4.717 6.156 9.439 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -4.477 7.490 11.557 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -6.079 6.967 12.038 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -3.752 5.100 11.444 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -4.240 5.605 13.049 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -5.182 3.482 12.586 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -6.449 4.613 12.598 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -5.855 4.019 11.122 1.00 3.48 H new ATOM 827 N GLU A 81 -6.044 9.908 6.991 1.00 0.78 N ATOM 828 CA GLU A 81 -6.426 11.188 6.432 1.00 0.78 C ATOM 829 C GLU A 81 -6.681 11.036 4.945 1.00 0.62 C ATOM 830 O GLU A 81 -7.507 11.738 4.380 1.00 0.64 O ATOM 831 CB GLU A 81 -5.340 12.234 6.691 1.00 0.96 C ATOM 832 CG GLU A 81 -5.661 13.614 6.139 1.00 1.53 C ATOM 833 CD GLU A 81 -6.993 14.149 6.623 1.00 2.31 C ATOM 834 OE1 GLU A 81 -7.902 14.348 5.788 1.00 3.07 O ATOM 835 OE2 GLU A 81 -7.141 14.370 7.844 1.00 2.63 O ATOM 0 H GLU A 81 -5.038 9.745 7.028 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.341 11.529 6.915 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -5.177 12.314 7.766 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.405 11.887 6.251 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -4.871 14.307 6.427 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -5.667 13.572 5.050 1.00 1.53 H new ATOM 842 N GLY A 82 -5.996 10.085 4.328 1.00 0.55 N ATOM 843 CA GLY A 82 -6.143 9.851 2.920 1.00 0.47 C ATOM 844 C GLY A 82 -7.572 9.531 2.550 1.00 0.46 C ATOM 845 O GLY A 82 -8.087 9.980 1.522 1.00 0.49 O ATOM 0 H GLY A 82 -5.332 9.466 4.793 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.814 10.732 2.369 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.496 9.027 2.619 1.00 0.47 H new ATOM 849 N VAL A 83 -8.212 8.759 3.411 1.00 0.51 N ATOM 850 CA VAL A 83 -9.608 8.389 3.236 1.00 0.61 C ATOM 851 C VAL A 83 -10.508 9.613 3.376 1.00 0.70 C ATOM 852 O VAL A 83 -11.345 9.891 2.513 1.00 0.79 O ATOM 853 CB VAL A 83 -9.959 7.489 4.140 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.433 7.116 4.006 1.00 0.85 C ATOM 855 CG2 VAL A 83 -9.089 6.246 4.041 1.00 0.69 C ATOM 0 H VAL A 83 -7.781 8.371 4.250 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.725 7.969 2.237 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.808 7.937 5.122 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.691 6.375 4.762 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -12.047 8.005 4.145 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.615 6.701 3.015 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -9.400 5.523 4.796 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -9.196 5.805 3.050 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -8.046 6.518 4.206 1.00 0.69 H new ATOM 865 N ALA A 84 -10.274 10.379 4.434 1.00 0.76 N ATOM 866 CA ALA A 84 -11.146 11.486 4.787 1.00 0.94 C ATOM 867 C ALA A 84 -10.895 12.688 3.896 1.00 0.88 C ATOM 868 O ALA A 84 -11.786 13.508 3.685 1.00 1.07 O ATOM 869 CB ALA A 84 -10.977 11.853 6.251 1.00 1.12 C ATOM 0 H ALA A 84 -9.482 10.251 5.064 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.176 11.167 4.630 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -11.638 12.684 6.496 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.228 10.994 6.873 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -9.943 12.145 6.436 1.00 1.12 H new ATOM 875 N SER A 85 -9.681 12.788 3.377 1.00 0.76 N ATOM 876 CA SER A 85 -9.372 13.804 2.373 1.00 0.84 C ATOM 877 C SER A 85 -10.261 13.600 1.149 1.00 0.94 C ATOM 878 O SER A 85 -10.578 14.544 0.427 1.00 1.22 O ATOM 879 CB SER A 85 -7.892 13.766 1.980 1.00 1.19 C ATOM 880 OG SER A 85 -7.064 14.139 3.071 1.00 1.88 O ATOM 0 H SER A 85 -8.897 12.186 3.629 1.00 0.76 H new ATOM 0 HA SER A 85 -9.570 14.787 2.801 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.627 12.763 1.645 1.00 1.19 H new ATOM 0 HB3 SER A 85 -7.718 14.439 1.141 1.00 1.19 H new ATOM 0 HG SER A 85 -7.595 14.152 3.895 1.00 1.88 H new ATOM 886 N GLY A 86 -10.657 12.353 0.923 1.00 0.96 N ATOM 887 CA GLY A 86 -11.670 12.067 -0.072 1.00 1.46 C ATOM 888 C GLY A 86 -11.106 11.465 -1.331 1.00 1.21 C ATOM 889 O GLY A 86 -11.851 10.979 -2.182 1.00 1.66 O ATOM 0 H GLY A 86 -10.294 11.535 1.412 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -12.406 11.384 0.353 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.197 12.988 -0.321 1.00 1.46 H new ATOM 893 N ASN A 87 -9.790 11.477 -1.444 1.00 0.66 N ATOM 894 CA ASN A 87 -9.120 10.969 -2.631 1.00 0.67 C ATOM 895 C ASN A 87 -7.621 10.878 -2.388 1.00 0.52 C ATOM 896 O ASN A 87 -6.830 11.571 -3.018 1.00 0.72 O ATOM 897 CB ASN A 87 -9.447 11.817 -3.884 1.00 0.95 C ATOM 898 CG ASN A 87 -9.066 13.287 -3.774 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.978 13.691 -4.175 1.00 2.08 O ATOM 900 ND2 ASN A 87 -9.968 14.102 -3.256 1.00 1.72 N ATOM 0 H ASN A 87 -9.160 11.834 -0.726 1.00 0.66 H new ATOM 0 HA ASN A 87 -9.496 9.965 -2.830 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -8.932 11.386 -4.743 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -10.516 11.747 -4.085 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -9.770 15.100 -3.180 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -10.862 13.733 -2.932 1.00 1.72 H new ATOM 907 N LEU A 88 -7.263 10.034 -1.419 1.00 0.40 N ATOM 908 CA LEU A 88 -5.874 9.730 -1.081 1.00 0.32 C ATOM 909 C LEU A 88 -4.999 9.637 -2.320 1.00 0.30 C ATOM 910 O LEU A 88 -5.049 8.649 -3.039 1.00 0.34 O ATOM 911 CB LEU A 88 -5.825 8.394 -0.346 1.00 0.37 C ATOM 912 CG LEU A 88 -4.670 8.242 0.613 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.837 6.988 1.456 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.333 8.221 -0.106 1.00 0.48 C ATOM 0 H LEU A 88 -7.939 9.536 -0.840 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.494 10.538 -0.455 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.756 8.264 0.205 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.776 7.592 -1.082 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.676 9.113 1.268 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -3.995 6.895 2.141 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.763 7.054 2.027 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.873 6.114 0.805 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.530 8.110 0.622 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.308 7.384 -0.804 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -3.200 9.154 -0.654 1.00 0.48 H new ATOM 926 N ASN A 89 -4.229 10.674 -2.585 1.00 0.32 N ATOM 927 CA ASN A 89 -3.296 10.648 -3.694 1.00 0.34 C ATOM 928 C ASN A 89 -2.037 11.445 -3.333 1.00 0.40 C ATOM 929 O ASN A 89 -2.050 12.673 -3.304 1.00 0.50 O ATOM 930 CB ASN A 89 -3.999 11.148 -4.978 1.00 0.41 C ATOM 931 CG ASN A 89 -4.114 12.663 -5.091 1.00 1.12 C ATOM 932 OD1 ASN A 89 -3.298 13.313 -5.743 1.00 2.01 O ATOM 933 ND2 ASN A 89 -5.128 13.231 -4.455 1.00 1.62 N ATOM 0 H ASN A 89 -4.231 11.542 -2.050 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.968 9.628 -3.896 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -3.454 10.773 -5.844 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.999 10.717 -5.020 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -5.253 14.242 -4.496 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -5.783 12.657 -3.925 1.00 1.62 H new ATOM 940 N THR A 90 -0.958 10.743 -2.986 1.00 0.39 N ATOM 941 CA THR A 90 0.275 11.401 -2.591 1.00 0.50 C ATOM 942 C THR A 90 1.493 10.710 -3.174 1.00 0.55 C ATOM 943 O THR A 90 1.443 9.528 -3.523 1.00 0.69 O ATOM 944 CB THR A 90 0.408 11.449 -1.276 1.00 0.68 C ATOM 945 OG1 THR A 90 -0.057 10.220 -0.690 1.00 1.67 O ATOM 946 CG2 THR A 90 -0.339 12.624 -0.670 1.00 1.22 C ATOM 0 H THR A 90 -0.918 9.724 -2.972 1.00 0.39 H new ATOM 0 HA THR A 90 0.212 12.416 -2.984 1.00 0.50 H new ATOM 0 HB THR A 90 1.468 11.584 -1.059 1.00 0.68 H new ATOM 0 HG1 THR A 90 0.602 9.512 -0.849 1.00 1.67 H new ATOM 0 HG21 THR A 90 -0.202 12.624 0.411 1.00 1.22 H new ATOM 0 HG22 THR A 90 0.049 13.555 -1.085 1.00 1.22 H new ATOM 0 HG23 THR A 90 -1.401 12.538 -0.901 1.00 1.22 H new ATOM 954 N MET A 91 2.566 11.471 -3.333 1.00 0.72 N ATOM 955 CA MET A 91 3.858 10.914 -3.704 1.00 1.00 C ATOM 956 C MET A 91 4.958 11.599 -2.914 1.00 0.88 C ATOM 957 O MET A 91 4.939 12.817 -2.722 1.00 0.92 O ATOM 958 CB MET A 91 4.141 11.021 -5.213 1.00 1.53 C ATOM 959 CG MET A 91 4.266 12.441 -5.749 1.00 2.33 C ATOM 960 SD MET A 91 2.686 13.288 -5.907 1.00 3.24 S ATOM 961 CE MET A 91 3.223 14.884 -6.519 1.00 3.94 C ATOM 0 H MET A 91 2.566 12.484 -3.210 1.00 0.72 H new ATOM 0 HA MET A 91 3.834 9.851 -3.463 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.064 10.484 -5.433 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.341 10.515 -5.753 1.00 1.53 H new ATOM 0 HG2 MET A 91 4.913 13.016 -5.086 1.00 2.33 H new ATOM 0 HG3 MET A 91 4.753 12.412 -6.724 1.00 2.33 H new ATOM 0 HE1 MET A 91 2.356 15.527 -6.669 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.895 15.344 -5.795 1.00 3.94 H new ATOM 0 HE3 MET A 91 3.745 14.753 -7.467 1.00 3.94 H new ATOM 971 N PHE A 92 5.909 10.811 -2.447 1.00 0.98 N ATOM 972 CA PHE A 92 6.973 11.307 -1.592 1.00 1.01 C ATOM 973 C PHE A 92 8.109 10.296 -1.562 1.00 0.90 C ATOM 974 O PHE A 92 7.871 9.090 -1.538 1.00 0.85 O ATOM 975 CB PHE A 92 6.425 11.545 -0.175 1.00 1.24 C ATOM 976 CG PHE A 92 7.427 12.093 0.805 1.00 1.49 C ATOM 977 CD1 PHE A 92 7.728 13.445 0.828 1.00 1.94 C ATOM 978 CD2 PHE A 92 8.058 11.255 1.711 1.00 1.58 C ATOM 979 CE1 PHE A 92 8.640 13.951 1.733 1.00 2.47 C ATOM 980 CE2 PHE A 92 8.973 11.757 2.618 1.00 2.01 C ATOM 981 CZ PHE A 92 9.264 13.105 2.630 1.00 2.46 C ATOM 0 H PHE A 92 5.966 9.813 -2.648 1.00 0.98 H new ATOM 0 HA PHE A 92 7.352 12.251 -1.983 1.00 1.01 H new ATOM 0 HB2 PHE A 92 5.584 12.235 -0.237 1.00 1.24 H new ATOM 0 HB3 PHE A 92 6.037 10.603 0.212 1.00 1.24 H new ATOM 0 HD1 PHE A 92 7.244 14.111 0.130 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.833 10.199 1.708 1.00 1.58 H new ATOM 0 HE1 PHE A 92 8.865 15.007 1.740 1.00 2.47 H new ATOM 0 HE2 PHE A 92 9.460 11.093 3.317 1.00 2.01 H new ATOM 0 HZ PHE A 92 9.978 13.498 3.339 1.00 2.46 H new ATOM 991 N GLU A 93 9.338 10.771 -1.581 1.00 0.98 N ATOM 992 CA GLU A 93 10.476 9.880 -1.503 1.00 0.97 C ATOM 993 C GLU A 93 10.881 9.707 -0.050 1.00 1.21 C ATOM 994 O GLU A 93 11.379 10.645 0.587 1.00 1.50 O ATOM 995 CB GLU A 93 11.641 10.423 -2.325 1.00 1.18 C ATOM 996 CG GLU A 93 11.336 10.535 -3.808 1.00 1.33 C ATOM 997 CD GLU A 93 12.441 11.229 -4.569 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.484 10.595 -4.826 1.00 1.97 O ATOM 999 OE2 GLU A 93 12.271 12.417 -4.917 1.00 1.92 O ATOM 0 H GLU A 93 9.573 11.761 -1.649 1.00 0.98 H new ATOM 0 HA GLU A 93 10.200 8.910 -1.915 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.917 11.406 -1.944 1.00 1.18 H new ATOM 0 HB3 GLU A 93 12.506 9.774 -2.188 1.00 1.18 H new ATOM 0 HG2 GLU A 93 11.183 9.538 -4.222 1.00 1.33 H new ATOM 0 HG3 GLU A 93 10.404 11.083 -3.945 1.00 1.33 H new ATOM 1006 N TYR A 94 10.657 8.506 0.470 1.00 1.23 N ATOM 1007 CA TYR A 94 10.817 8.246 1.887 1.00 1.60 C ATOM 1008 C TYR A 94 11.910 7.216 2.129 1.00 1.67 C ATOM 1009 O TYR A 94 11.787 6.058 1.724 1.00 1.62 O ATOM 1010 CB TYR A 94 9.486 7.758 2.473 1.00 1.88 C ATOM 1011 CG TYR A 94 9.488 7.590 3.977 1.00 2.23 C ATOM 1012 CD1 TYR A 94 9.665 6.339 4.559 1.00 2.63 C ATOM 1013 CD2 TYR A 94 9.303 8.680 4.816 1.00 2.62 C ATOM 1014 CE1 TYR A 94 9.658 6.181 5.932 1.00 3.18 C ATOM 1015 CE2 TYR A 94 9.296 8.532 6.192 1.00 3.33 C ATOM 1016 CZ TYR A 94 9.473 7.281 6.744 1.00 3.51 C ATOM 1017 OH TYR A 94 9.461 7.130 8.114 1.00 4.29 O ATOM 0 H TYR A 94 10.363 7.696 -0.076 1.00 1.23 H new ATOM 0 HA TYR A 94 11.111 9.171 2.382 1.00 1.60 H new ATOM 0 HB2 TYR A 94 8.702 8.464 2.200 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.229 6.804 2.014 1.00 1.88 H new ATOM 0 HD1 TYR A 94 9.811 5.476 3.927 1.00 2.63 H new ATOM 0 HD2 TYR A 94 9.162 9.661 4.387 1.00 2.62 H new ATOM 0 HE1 TYR A 94 9.797 5.202 6.367 1.00 3.18 H new ATOM 0 HE2 TYR A 94 9.153 9.392 6.830 1.00 3.33 H new ATOM 0 HH TYR A 94 9.321 8.002 8.538 1.00 4.29 H new ATOM 1027 N THR A 95 12.989 7.643 2.759 1.00 1.95 N ATOM 1028 CA THR A 95 14.026 6.723 3.176 1.00 2.19 C ATOM 1029 C THR A 95 13.680 6.104 4.518 1.00 2.45 C ATOM 1030 O THR A 95 12.948 6.697 5.316 1.00 2.63 O ATOM 1031 CB THR A 95 15.205 7.309 3.249 1.00 2.45 C ATOM 1032 OG1 THR A 95 15.064 8.619 3.822 1.00 2.89 O ATOM 1033 CG2 THR A 95 15.858 7.405 1.881 1.00 2.83 C ATOM 0 H THR A 95 13.168 8.620 2.992 1.00 1.95 H new ATOM 0 HA THR A 95 14.084 5.941 2.418 1.00 2.19 H new ATOM 0 HB THR A 95 15.848 6.702 3.886 1.00 2.45 H new ATOM 0 HG1 THR A 95 15.943 9.049 3.875 1.00 2.89 H new ATOM 0 HG21 THR A 95 16.828 7.893 1.974 1.00 2.83 H new ATOM 0 HG22 THR A 95 15.993 6.404 1.471 1.00 2.83 H new ATOM 0 HG23 THR A 95 15.222 7.987 1.214 1.00 2.83 H new ATOM 1041 N PHE A 96 14.142 4.888 4.735 1.00 2.62 N ATOM 1042 CA PHE A 96 13.891 4.202 5.990 1.00 3.02 C ATOM 1043 C PHE A 96 14.736 4.803 7.107 1.00 3.39 C ATOM 1044 O PHE A 96 15.840 5.292 6.866 1.00 3.84 O ATOM 1045 CB PHE A 96 14.158 2.702 5.844 1.00 3.29 C ATOM 1046 CG PHE A 96 13.104 1.990 5.042 1.00 3.71 C ATOM 1047 CD1 PHE A 96 12.056 1.345 5.677 1.00 4.45 C ATOM 1048 CD2 PHE A 96 13.156 1.974 3.657 1.00 3.78 C ATOM 1049 CE1 PHE A 96 11.077 0.700 4.947 1.00 5.24 C ATOM 1050 CE2 PHE A 96 12.181 1.327 2.922 1.00 4.50 C ATOM 1051 CZ PHE A 96 11.140 0.689 3.568 1.00 5.25 C ATOM 0 H PHE A 96 14.692 4.355 4.061 1.00 2.62 H new ATOM 0 HA PHE A 96 12.842 4.334 6.254 1.00 3.02 H new ATOM 0 HB2 PHE A 96 15.128 2.556 5.368 1.00 3.29 H new ATOM 0 HB3 PHE A 96 14.218 2.252 6.835 1.00 3.29 H new ATOM 0 HD1 PHE A 96 12.004 1.346 6.756 1.00 4.45 H new ATOM 0 HD2 PHE A 96 13.967 2.472 3.147 1.00 3.78 H new ATOM 0 HE1 PHE A 96 10.263 0.205 5.455 1.00 5.24 H new ATOM 0 HE2 PHE A 96 12.233 1.320 1.843 1.00 4.50 H new ATOM 0 HZ PHE A 96 10.377 0.183 2.995 1.00 5.25 H new ATOM 1061 N ASP A 97 14.205 4.767 8.326 1.00 3.71 N ATOM 1062 CA ASP A 97 14.845 5.414 9.467 1.00 4.37 C ATOM 1063 C ASP A 97 16.126 4.681 9.849 1.00 4.59 C ATOM 1064 O ASP A 97 17.223 5.101 9.486 1.00 4.90 O ATOM 1065 CB ASP A 97 13.876 5.456 10.655 1.00 5.00 C ATOM 1066 CG ASP A 97 14.360 6.346 11.783 1.00 5.62 C ATOM 1067 OD1 ASP A 97 15.000 5.836 12.722 1.00 5.98 O ATOM 1068 OD2 ASP A 97 14.080 7.565 11.744 1.00 6.06 O ATOM 0 H ASP A 97 13.329 4.294 8.549 1.00 3.71 H new ATOM 0 HA ASP A 97 15.107 6.435 9.190 1.00 4.37 H new ATOM 0 HB2 ASP A 97 12.904 5.810 10.312 1.00 5.00 H new ATOM 0 HB3 ASP A 97 13.731 4.445 11.034 1.00 5.00 H new ATOM 1073 N TYR A 98 15.976 3.575 10.564 1.00 4.86 N ATOM 1074 CA TYR A 98 17.100 2.716 10.914 1.00 5.39 C ATOM 1075 C TYR A 98 16.636 1.272 11.005 1.00 5.39 C ATOM 1076 O TYR A 98 16.286 0.785 12.082 1.00 5.65 O ATOM 1077 CB TYR A 98 17.756 3.132 12.236 1.00 6.08 C ATOM 1078 CG TYR A 98 18.634 4.360 12.134 1.00 6.83 C ATOM 1079 CD1 TYR A 98 19.913 4.282 11.596 1.00 7.42 C ATOM 1080 CD2 TYR A 98 18.190 5.593 12.587 1.00 7.24 C ATOM 1081 CE1 TYR A 98 20.723 5.399 11.515 1.00 8.35 C ATOM 1082 CE2 TYR A 98 18.990 6.713 12.507 1.00 8.16 C ATOM 1083 CZ TYR A 98 20.254 6.612 11.971 1.00 8.70 C ATOM 1084 OH TYR A 98 21.056 7.728 11.905 1.00 9.77 O ATOM 0 H TYR A 98 15.076 3.248 10.917 1.00 4.86 H new ATOM 0 HA TYR A 98 17.848 2.819 10.128 1.00 5.39 H new ATOM 0 HB2 TYR A 98 16.975 3.318 12.973 1.00 6.08 H new ATOM 0 HB3 TYR A 98 18.355 2.301 12.609 1.00 6.08 H new ATOM 0 HD1 TYR A 98 20.280 3.333 11.235 1.00 7.42 H new ATOM 0 HD2 TYR A 98 17.200 5.678 13.010 1.00 7.24 H new ATOM 0 HE1 TYR A 98 21.716 5.322 11.097 1.00 8.35 H new ATOM 0 HE2 TYR A 98 18.627 7.666 12.863 1.00 8.16 H new ATOM 0 HH TYR A 98 20.573 8.500 12.267 1.00 9.77 H new ATOM 1094 N GLN A 99 16.590 0.606 9.864 1.00 5.51 N ATOM 1095 CA GLN A 99 16.177 -0.790 9.817 1.00 5.83 C ATOM 1096 C GLN A 99 17.414 -1.663 9.657 1.00 5.62 C ATOM 1097 O GLN A 99 17.569 -2.682 10.334 1.00 5.86 O ATOM 1098 CB GLN A 99 15.209 -1.023 8.652 1.00 6.51 C ATOM 1099 CG GLN A 99 14.358 0.194 8.298 1.00 7.10 C ATOM 1100 CD GLN A 99 13.434 0.655 9.417 1.00 7.79 C ATOM 1101 OE1 GLN A 99 13.180 1.851 9.564 1.00 8.08 O ATOM 1102 NE2 GLN A 99 12.901 -0.281 10.190 1.00 8.34 N ATOM 0 H GLN A 99 16.833 1.007 8.958 1.00 5.51 H new ATOM 0 HA GLN A 99 15.661 -1.049 10.742 1.00 5.83 H new ATOM 0 HB2 GLN A 99 15.780 -1.322 7.773 1.00 6.51 H new ATOM 0 HB3 GLN A 99 14.550 -1.854 8.902 1.00 6.51 H new ATOM 0 HG2 GLN A 99 15.017 1.017 8.024 1.00 7.10 H new ATOM 0 HG3 GLN A 99 13.757 -0.040 7.419 1.00 7.10 H new ATOM 0 HE21 GLN A 99 13.135 -1.262 10.038 1.00 8.34 H new ATOM 0 HE22 GLN A 99 12.257 -0.020 10.937 1.00 8.34 H new ATOM 1111 N MET A 100 18.286 -1.230 8.750 1.00 5.51 N ATOM 1112 CA MET A 100 19.582 -1.859 8.510 1.00 5.61 C ATOM 1113 C MET A 100 20.274 -1.129 7.375 1.00 5.03 C ATOM 1114 O MET A 100 21.416 -0.686 7.499 1.00 5.20 O ATOM 1115 CB MET A 100 19.440 -3.340 8.155 1.00 6.33 C ATOM 1116 CG MET A 100 20.773 -4.051 7.965 1.00 6.86 C ATOM 1117 SD MET A 100 21.886 -3.849 9.374 1.00 7.54 S ATOM 1118 CE MET A 100 20.845 -4.424 10.711 1.00 8.19 C ATOM 0 H MET A 100 18.110 -0.422 8.153 1.00 5.51 H new ATOM 0 HA MET A 100 20.170 -1.796 9.426 1.00 5.61 H new ATOM 0 HB2 MET A 100 18.879 -3.842 8.943 1.00 6.33 H new ATOM 0 HB3 MET A 100 18.855 -3.431 7.240 1.00 6.33 H new ATOM 0 HG2 MET A 100 20.592 -5.113 7.801 1.00 6.86 H new ATOM 0 HG3 MET A 100 21.258 -3.668 7.067 1.00 6.86 H new ATOM 0 HE1 MET A 100 21.452 -4.580 11.603 1.00 8.19 H new ATOM 0 HE2 MET A 100 20.077 -3.679 10.920 1.00 8.19 H new ATOM 0 HE3 MET A 100 20.371 -5.363 10.425 1.00 8.19 H new ATOM 1128 N THR A 101 19.563 -1.012 6.267 1.00 4.63 N ATOM 1129 CA THR A 101 20.030 -0.254 5.127 1.00 4.25 C ATOM 1130 C THR A 101 19.166 1.000 4.965 1.00 3.46 C ATOM 1131 O THR A 101 17.956 0.948 5.202 1.00 3.35 O ATOM 1132 CB THR A 101 19.974 -0.993 4.024 1.00 4.65 C ATOM 1133 OG1 THR A 101 20.607 -2.263 4.264 1.00 5.10 O ATOM 1134 CG2 THR A 101 20.641 -0.314 2.833 1.00 5.07 C ATOM 0 H THR A 101 18.647 -1.441 6.136 1.00 4.63 H new ATOM 0 HA THR A 101 21.067 0.038 5.292 1.00 4.25 H new ATOM 0 HB THR A 101 18.921 -1.129 3.777 1.00 4.65 H new ATOM 0 HG1 THR A 101 20.564 -2.809 3.451 1.00 5.10 H new ATOM 0 HG21 THR A 101 20.567 -0.960 1.958 1.00 5.07 H new ATOM 0 HG22 THR A 101 20.142 0.633 2.628 1.00 5.07 H new ATOM 0 HG23 THR A 101 21.691 -0.130 3.060 1.00 5.07 H new ATOM 1142 N PRO A 102 19.776 2.162 4.659 1.00 3.42 N ATOM 1143 CA PRO A 102 19.034 3.392 4.359 1.00 3.17 C ATOM 1144 C PRO A 102 18.352 3.312 2.994 1.00 2.61 C ATOM 1145 O PRO A 102 18.634 4.110 2.097 1.00 2.79 O ATOM 1146 CB PRO A 102 20.116 4.488 4.350 1.00 3.96 C ATOM 1147 CG PRO A 102 21.337 3.851 4.926 1.00 4.51 C ATOM 1148 CD PRO A 102 21.225 2.388 4.619 1.00 4.18 C ATOM 0 HA PRO A 102 18.240 3.578 5.083 1.00 3.17 H new ATOM 0 HB2 PRO A 102 20.302 4.847 3.338 1.00 3.96 H new ATOM 0 HB3 PRO A 102 19.807 5.349 4.942 1.00 3.96 H new ATOM 0 HG2 PRO A 102 22.241 4.273 4.487 1.00 4.51 H new ATOM 0 HG3 PRO A 102 21.395 4.021 6.001 1.00 4.51 H new ATOM 0 HD2 PRO A 102 21.646 2.145 3.643 1.00 4.18 H new ATOM 0 HD3 PRO A 102 21.751 1.778 5.354 1.00 4.18 H new ATOM 1156 N THR A 103 17.467 2.333 2.843 1.00 2.26 N ATOM 1157 CA THR A 103 16.762 2.110 1.595 1.00 1.91 C ATOM 1158 C THR A 103 15.978 3.349 1.179 1.00 1.65 C ATOM 1159 O THR A 103 15.316 3.983 2.007 1.00 1.74 O ATOM 1160 CB THR A 103 15.939 1.087 1.707 1.00 2.12 C ATOM 1161 OG1 THR A 103 16.601 0.024 2.416 1.00 2.59 O ATOM 1162 CG2 THR A 103 15.467 0.587 0.345 1.00 2.29 C ATOM 0 H THR A 103 17.221 1.675 3.583 1.00 2.26 H new ATOM 0 HA THR A 103 17.506 1.893 0.829 1.00 1.91 H new ATOM 0 HB THR A 103 15.058 1.417 2.258 1.00 2.12 H new ATOM 0 HG1 THR A 103 15.993 -0.739 2.504 1.00 2.59 H new ATOM 0 HG21 THR A 103 14.790 -0.257 0.482 1.00 2.29 H new ATOM 0 HG22 THR A 103 14.945 1.390 -0.176 1.00 2.29 H new ATOM 0 HG23 THR A 103 16.327 0.270 -0.245 1.00 2.29 H new ATOM 1170 N LYS A 104 16.104 3.724 -0.085 1.00 1.52 N ATOM 1171 CA LYS A 104 15.407 4.876 -0.606 1.00 1.37 C ATOM 1172 C LYS A 104 14.286 4.441 -1.533 1.00 1.18 C ATOM 1173 O LYS A 104 14.532 4.031 -2.675 1.00 1.26 O ATOM 1174 CB LYS A 104 16.373 5.786 -1.358 1.00 1.53 C ATOM 1175 CG LYS A 104 15.728 7.069 -1.856 1.00 1.64 C ATOM 1176 CD LYS A 104 16.687 7.883 -2.710 1.00 2.24 C ATOM 1177 CE LYS A 104 16.020 9.125 -3.277 1.00 2.60 C ATOM 1178 NZ LYS A 104 15.554 10.046 -2.207 1.00 3.12 N ATOM 0 H LYS A 104 16.687 3.240 -0.767 1.00 1.52 H new ATOM 0 HA LYS A 104 14.981 5.427 0.232 1.00 1.37 H new ATOM 0 HB2 LYS A 104 17.208 6.038 -0.704 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.786 5.242 -2.207 1.00 1.53 H new ATOM 0 HG2 LYS A 104 14.838 6.828 -2.437 1.00 1.64 H new ATOM 0 HG3 LYS A 104 15.401 7.667 -1.005 1.00 1.64 H new ATOM 0 HD2 LYS A 104 17.550 8.175 -2.111 1.00 2.24 H new ATOM 0 HD3 LYS A 104 17.060 7.266 -3.527 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.722 9.649 -3.926 1.00 2.60 H new ATOM 0 HE3 LYS A 104 15.173 8.831 -3.896 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 15.245 10.944 -2.632 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.758 9.612 -1.698 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 16.333 10.228 -1.542 1.00 3.12 H new ATOM 1192 N VAL A 105 13.061 4.507 -1.033 1.00 1.04 N ATOM 1193 CA VAL A 105 11.900 4.222 -1.838 1.00 0.90 C ATOM 1194 C VAL A 105 11.096 5.483 -2.027 1.00 0.72 C ATOM 1195 O VAL A 105 11.316 6.481 -1.339 1.00 0.75 O ATOM 1196 CB VAL A 105 11.124 3.275 -1.318 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.865 1.947 -1.259 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.602 3.656 0.058 1.00 1.11 C ATOM 0 H VAL A 105 12.853 4.758 -0.066 1.00 1.04 H new ATOM 0 HA VAL A 105 12.262 3.847 -2.796 1.00 0.90 H new ATOM 0 HB VAL A 105 10.261 3.168 -1.975 1.00 1.00 H new ATOM 0 HG11 VAL A 105 11.213 1.185 -0.831 1.00 1.23 H new ATOM 0 HG12 VAL A 105 12.159 1.649 -2.266 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.755 2.054 -0.638 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.973 2.853 0.444 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.442 3.816 0.734 1.00 1.11 H new ATOM 0 HG23 VAL A 105 10.016 4.572 -0.016 1.00 1.11 H new ATOM 1208 N LYS A 106 10.211 5.462 -2.985 1.00 0.64 N ATOM 1209 CA LYS A 106 9.292 6.561 -3.155 1.00 0.59 C ATOM 1210 C LYS A 106 7.882 6.026 -3.168 1.00 0.53 C ATOM 1211 O LYS A 106 7.625 4.956 -3.725 1.00 0.68 O ATOM 1212 CB LYS A 106 9.584 7.373 -4.423 1.00 0.79 C ATOM 1213 CG LYS A 106 9.245 6.674 -5.727 1.00 1.39 C ATOM 1214 CD LYS A 106 9.403 7.628 -6.896 1.00 1.61 C ATOM 1215 CE LYS A 106 8.884 7.027 -8.188 1.00 2.08 C ATOM 1216 NZ LYS A 106 9.005 7.984 -9.321 1.00 2.36 N ATOM 0 H LYS A 106 10.104 4.703 -3.658 1.00 0.64 H new ATOM 0 HA LYS A 106 9.418 7.247 -2.317 1.00 0.59 H new ATOM 0 HB2 LYS A 106 9.026 8.308 -4.374 1.00 0.79 H new ATOM 0 HB3 LYS A 106 10.642 7.634 -4.433 1.00 0.79 H new ATOM 0 HG2 LYS A 106 9.896 5.810 -5.864 1.00 1.39 H new ATOM 0 HG3 LYS A 106 8.222 6.300 -5.691 1.00 1.39 H new ATOM 0 HD2 LYS A 106 8.867 8.553 -6.685 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.455 7.888 -7.013 1.00 1.61 H new ATOM 0 HE2 LYS A 106 9.440 6.118 -8.417 1.00 2.08 H new ATOM 0 HE3 LYS A 106 7.840 6.739 -8.063 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 8.641 7.542 -10.189 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 8.454 8.841 -9.112 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 10.004 8.239 -9.455 1.00 2.36 H new ATOM 1230 N VAL A 107 6.981 6.745 -2.530 1.00 0.47 N ATOM 1231 CA VAL A 107 5.602 6.315 -2.470 1.00 0.49 C ATOM 1232 C VAL A 107 4.764 7.061 -3.469 1.00 0.45 C ATOM 1233 O VAL A 107 5.033 8.219 -3.787 1.00 0.74 O ATOM 1234 CB VAL A 107 5.041 6.446 -1.270 1.00 0.60 C ATOM 1235 CG1 VAL A 107 5.577 5.389 -0.314 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.244 7.837 -0.685 1.00 1.11 C ATOM 0 H VAL A 107 7.178 7.623 -2.050 1.00 0.47 H new ATOM 0 HA VAL A 107 5.632 5.251 -2.703 1.00 0.49 H new ATOM 0 HB VAL A 107 3.968 6.303 -1.401 1.00 0.60 H new ATOM 0 HG11 VAL A 107 5.108 5.510 0.662 1.00 0.99 H new ATOM 0 HG12 VAL A 107 5.351 4.397 -0.705 1.00 0.99 H new ATOM 0 HG13 VAL A 107 6.657 5.502 -0.215 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.768 7.893 0.294 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.311 8.036 -0.582 1.00 1.11 H new ATOM 0 HG23 VAL A 107 4.799 8.579 -1.348 1.00 1.11 H new ATOM 1246 N HIS A 108 3.819 6.354 -4.035 1.00 0.30 N ATOM 1247 CA HIS A 108 2.742 6.975 -4.749 1.00 0.31 C ATOM 1248 C HIS A 108 1.494 6.161 -4.495 1.00 0.28 C ATOM 1249 O HIS A 108 1.297 5.090 -5.064 1.00 0.31 O ATOM 1250 CB HIS A 108 3.045 7.059 -6.244 1.00 0.43 C ATOM 1251 CG HIS A 108 2.150 8.003 -6.989 1.00 0.56 C ATOM 1252 ND1 HIS A 108 2.082 8.051 -8.363 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.293 8.948 -6.542 1.00 0.71 C ATOM 1254 CE1 HIS A 108 1.228 8.991 -8.726 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.731 9.549 -7.637 1.00 0.80 N ATOM 0 H HIS A 108 3.778 5.335 -4.012 1.00 0.30 H new ATOM 0 HA HIS A 108 2.604 7.998 -4.400 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.080 7.372 -6.379 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.953 6.065 -6.681 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.088 9.186 -5.509 1.00 0.71 H new ATOM 0 HE1 HIS A 108 0.978 9.258 -9.742 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.043 10.302 -7.615 1.00 0.80 H new ATOM 1264 N MET A 109 0.663 6.677 -3.629 1.00 0.31 N ATOM 1265 CA MET A 109 -0.590 6.045 -3.301 1.00 0.33 C ATOM 1266 C MET A 109 -1.699 6.957 -3.747 1.00 0.37 C ATOM 1267 O MET A 109 -1.713 8.133 -3.390 1.00 0.55 O ATOM 1268 CB MET A 109 -0.689 5.740 -1.796 1.00 0.43 C ATOM 1269 CG MET A 109 -0.378 6.918 -0.883 1.00 0.77 C ATOM 1270 SD MET A 109 1.392 7.214 -0.691 1.00 1.28 S ATOM 1271 CE MET A 109 1.890 5.698 0.127 1.00 2.22 C ATOM 0 H MET A 109 0.835 7.549 -3.129 1.00 0.31 H new ATOM 0 HA MET A 109 -0.666 5.087 -3.815 1.00 0.33 H new ATOM 0 HB2 MET A 109 -1.696 5.385 -1.577 1.00 0.43 H new ATOM 0 HB3 MET A 109 -0.005 4.925 -1.559 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.849 7.815 -1.284 1.00 0.77 H new ATOM 0 HG3 MET A 109 -0.819 6.737 0.097 1.00 0.77 H new ATOM 0 HE1 MET A 109 2.789 5.881 0.716 1.00 2.22 H new ATOM 0 HE2 MET A 109 1.089 5.359 0.784 1.00 2.22 H new ATOM 0 HE3 MET A 109 2.095 4.932 -0.621 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.607 6.449 -4.555 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.580 7.314 -5.170 1.00 0.30 C ATOM 1283 C LYS A 110 -4.904 6.610 -5.306 1.00 0.24 C ATOM 1284 O LYS A 110 -4.958 5.402 -5.510 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.098 7.798 -6.542 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.039 6.709 -7.606 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.705 7.285 -8.971 1.00 0.78 C ATOM 1288 CE LYS A 110 -3.719 8.337 -9.400 1.00 1.38 C ATOM 1289 NZ LYS A 110 -5.093 7.778 -9.529 1.00 1.73 N ATOM 0 H LYS A 110 -2.688 5.461 -4.795 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.708 8.183 -4.525 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.760 8.592 -6.888 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.106 8.236 -6.432 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.289 5.968 -7.329 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.997 6.191 -7.652 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -1.709 7.728 -8.946 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -2.678 6.483 -9.708 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -3.726 9.149 -8.673 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.413 8.766 -10.354 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -5.704 8.467 -10.013 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -5.059 6.897 -10.081 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -5.477 7.579 -8.583 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.961 7.380 -5.193 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.289 6.883 -5.372 1.00 0.22 C ATOM 1305 C LYS A 111 -7.457 6.235 -6.742 1.00 0.22 C ATOM 1306 O LYS A 111 -7.189 6.846 -7.782 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.220 8.060 -5.217 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.690 7.742 -5.423 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.444 8.978 -5.867 1.00 0.53 C ATOM 1310 CE LYS A 111 -10.209 9.258 -7.344 1.00 0.91 C ATOM 1311 NZ LYS A 111 -10.715 8.162 -8.217 1.00 1.78 N ATOM 0 H LYS A 111 -5.914 8.375 -4.973 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.511 6.111 -4.635 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -8.090 8.479 -4.219 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.927 8.833 -5.928 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.797 6.956 -6.171 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -10.119 7.361 -4.496 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -11.510 8.844 -5.684 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -10.124 9.836 -5.275 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -10.700 10.192 -7.617 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -9.142 9.396 -7.520 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -10.752 8.492 -9.203 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -10.078 7.343 -8.150 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.669 7.885 -7.909 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.878 4.981 -6.712 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.093 4.188 -7.904 1.00 0.26 C ATOM 1327 C ALA A 112 -9.220 4.773 -8.744 1.00 0.38 C ATOM 1328 O ALA A 112 -10.153 5.381 -8.212 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.405 2.751 -7.524 1.00 0.33 C ATOM 0 H ALA A 112 -8.082 4.482 -5.846 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.181 4.204 -8.501 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.565 2.162 -8.427 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.569 2.334 -6.962 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.305 2.724 -6.909 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.124 4.612 -10.054 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.148 5.124 -10.957 1.00 0.64 C ATOM 1337 C LEU A 113 -11.399 4.244 -10.918 1.00 0.76 C ATOM 1338 O LEU A 113 -12.416 4.553 -11.547 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.596 5.254 -12.389 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.920 4.006 -12.975 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -9.941 2.983 -13.447 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -7.993 4.397 -14.113 1.00 2.39 C ATOM 0 H LEU A 113 -8.351 4.133 -10.517 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.435 6.120 -10.620 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -10.417 5.539 -13.047 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -8.876 6.072 -12.405 1.00 0.76 H new ATOM 0 HG LEU A 113 -8.334 3.541 -12.182 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -9.424 2.115 -13.855 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -10.562 2.674 -12.606 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -10.570 3.426 -14.219 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -7.520 3.503 -14.520 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -8.567 4.892 -14.896 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -7.226 5.076 -13.741 1.00 2.39 H new ATOM 1354 N SER A 114 -11.321 3.151 -10.165 1.00 0.73 N ATOM 1355 CA SER A 114 -12.449 2.250 -9.997 1.00 0.92 C ATOM 1356 C SER A 114 -13.436 2.797 -8.966 1.00 0.93 C ATOM 1357 O SER A 114 -14.610 2.428 -8.961 1.00 1.27 O ATOM 1358 CB SER A 114 -11.943 0.867 -9.586 1.00 1.04 C ATOM 1359 OG SER A 114 -10.895 0.977 -8.636 1.00 1.66 O ATOM 0 H SER A 114 -10.481 2.869 -9.660 1.00 0.73 H new ATOM 0 HA SER A 114 -12.978 2.166 -10.946 1.00 0.92 H new ATOM 0 HB2 SER A 114 -12.763 0.285 -9.165 1.00 1.04 H new ATOM 0 HB3 SER A 114 -11.589 0.328 -10.465 1.00 1.04 H new ATOM 0 HG SER A 114 -10.586 0.082 -8.384 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.956 3.680 -8.095 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.829 4.297 -7.117 1.00 0.79 C ATOM 1367 C GLY A 115 -13.185 4.419 -5.752 1.00 0.78 C ATOM 1368 O GLY A 115 -12.071 4.932 -5.630 1.00 1.52 O ATOM 0 H GLY A 115 -11.981 3.977 -8.050 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -14.118 5.288 -7.468 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.744 3.710 -7.031 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.883 3.936 -4.727 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.406 4.035 -3.350 1.00 0.85 C ATOM 1374 C ASP A 116 -12.346 2.971 -3.066 1.00 0.80 C ATOM 1375 O ASP A 116 -12.614 1.923 -2.468 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.577 3.929 -2.367 1.00 1.25 C ATOM 1377 CG ASP A 116 -14.148 4.049 -0.916 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -14.442 3.122 -0.132 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -13.531 5.066 -0.547 1.00 2.79 O ATOM 0 H ASP A 116 -14.785 3.470 -4.825 1.00 0.72 H new ATOM 0 HA ASP A 116 -12.941 5.011 -3.215 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.304 4.710 -2.591 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -15.081 2.974 -2.513 1.00 1.25 H new ATOM 1384 N SER A 117 -11.155 3.248 -3.558 1.00 0.42 N ATOM 1385 CA SER A 117 -9.997 2.396 -3.404 1.00 0.29 C ATOM 1386 C SER A 117 -8.760 3.217 -3.716 1.00 0.22 C ATOM 1387 O SER A 117 -8.853 4.246 -4.381 1.00 0.25 O ATOM 1388 CB SER A 117 -10.103 1.187 -4.323 1.00 0.34 C ATOM 1389 OG SER A 117 -10.602 1.548 -5.601 1.00 0.44 O ATOM 0 H SER A 117 -10.963 4.096 -4.091 1.00 0.42 H new ATOM 0 HA SER A 117 -9.935 2.021 -2.382 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.122 0.724 -4.432 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.759 0.442 -3.872 1.00 0.34 H new ATOM 0 HG SER A 117 -10.657 0.751 -6.168 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.620 2.801 -3.208 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.385 3.551 -3.405 1.00 0.19 C ATOM 1397 C TYR A 118 -5.222 2.605 -3.693 1.00 0.20 C ATOM 1398 O TYR A 118 -5.129 1.525 -3.113 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.075 4.405 -2.166 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.251 5.177 -1.634 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -7.978 4.703 -0.561 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.624 6.376 -2.205 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.057 5.409 -0.063 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.701 7.092 -1.719 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.416 6.603 -0.647 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.485 7.314 -0.150 1.00 0.42 O ATOM 0 H TYR A 118 -7.516 1.950 -2.656 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.518 4.210 -4.263 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.696 3.755 -1.377 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.277 5.106 -2.413 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.699 3.765 -0.103 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.065 6.761 -3.045 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.615 5.026 0.779 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.981 8.029 -2.176 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.605 8.133 -0.674 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.341 3.004 -4.598 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.196 2.197 -4.939 1.00 0.22 C ATOM 1418 C TRP A 119 -2.039 2.503 -4.020 1.00 0.25 C ATOM 1419 O TRP A 119 -2.037 3.507 -3.315 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.752 2.477 -6.364 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.701 2.025 -7.414 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.924 2.545 -7.709 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.478 0.962 -8.329 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.483 1.847 -8.755 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.610 0.870 -9.151 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.424 0.073 -8.524 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.714 -0.083 -10.159 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.522 -0.867 -9.515 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.661 -0.944 -10.329 1.00 0.42 C ATOM 0 H TRP A 119 -4.404 3.886 -5.107 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.488 1.152 -4.837 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.593 3.550 -6.476 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.790 1.993 -6.531 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.385 3.378 -7.200 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.398 2.028 -9.168 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.542 0.124 -7.903 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.592 -0.142 -10.785 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.709 -1.560 -9.672 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.710 -1.695 -11.104 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.062 1.625 -4.058 1.00 0.28 N ATOM 1441 CA VAL A 120 0.193 1.800 -3.350 1.00 0.32 C ATOM 1442 C VAL A 120 1.340 1.426 -4.284 1.00 0.34 C ATOM 1443 O VAL A 120 1.636 0.248 -4.473 1.00 0.43 O ATOM 1444 CB VAL A 120 0.256 1.029 -2.265 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.581 1.236 -1.528 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.911 1.271 -1.319 1.00 0.62 C ATOM 0 H VAL A 120 -1.115 0.755 -4.589 1.00 0.28 H new ATOM 0 HA VAL A 120 0.265 2.841 -3.035 1.00 0.32 H new ATOM 0 HB VAL A 120 0.195 -0.004 -2.607 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.610 0.597 -0.646 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.409 0.980 -2.189 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.669 2.279 -1.223 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.816 0.620 -0.450 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.907 2.312 -0.995 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.847 1.055 -1.834 1.00 0.62 H new ATOM 1456 N PHE A 121 1.960 2.424 -4.895 1.00 0.34 N ATOM 1457 CA PHE A 121 3.136 2.187 -5.718 1.00 0.42 C ATOM 1458 C PHE A 121 4.380 2.617 -4.956 1.00 0.40 C ATOM 1459 O PHE A 121 4.503 3.780 -4.575 1.00 0.49 O ATOM 1460 CB PHE A 121 3.096 2.989 -7.016 1.00 0.61 C ATOM 1461 CG PHE A 121 1.893 2.762 -7.885 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.844 3.667 -7.890 1.00 0.52 C ATOM 1463 CD2 PHE A 121 1.825 1.657 -8.714 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.251 3.472 -8.706 1.00 0.96 C ATOM 1465 CE2 PHE A 121 0.732 1.453 -9.530 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.307 2.363 -9.527 1.00 1.45 C ATOM 0 H PHE A 121 1.671 3.400 -4.837 1.00 0.34 H new ATOM 0 HA PHE A 121 3.154 1.123 -5.955 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.147 4.049 -6.768 1.00 0.61 H new ATOM 0 HB3 PHE A 121 3.989 2.753 -7.595 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.884 4.535 -7.248 1.00 0.52 H new ATOM 0 HD2 PHE A 121 2.637 0.945 -8.722 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.062 4.185 -8.703 1.00 0.96 H new ATOM 0 HE2 PHE A 121 0.689 0.584 -10.170 1.00 1.49 H new ATOM 0 HZ PHE A 121 -1.163 2.207 -10.167 1.00 1.45 H new ATOM 1476 N VAL A 122 5.284 1.691 -4.723 1.00 0.49 N ATOM 1477 CA VAL A 122 6.587 2.025 -4.177 1.00 0.61 C ATOM 1478 C VAL A 122 7.674 1.504 -5.094 1.00 0.73 C ATOM 1479 O VAL A 122 7.434 0.602 -5.895 1.00 0.95 O ATOM 1480 CB VAL A 122 6.780 1.552 -2.948 1.00 0.77 C ATOM 1481 CG1 VAL A 122 5.850 2.234 -1.954 1.00 1.61 C ATOM 1482 CG2 VAL A 122 6.605 0.042 -2.886 1.00 1.52 C ATOM 0 H VAL A 122 5.143 0.697 -4.903 1.00 0.49 H new ATOM 0 HA VAL A 122 6.628 3.112 -4.109 1.00 0.61 H new ATOM 0 HB VAL A 122 7.811 1.776 -2.676 1.00 0.77 H new ATOM 0 HG11 VAL A 122 6.026 1.832 -0.956 1.00 1.61 H new ATOM 0 HG12 VAL A 122 6.043 3.307 -1.952 1.00 1.61 H new ATOM 0 HG13 VAL A 122 4.814 2.053 -2.241 1.00 1.61 H new ATOM 0 HG21 VAL A 122 6.771 -0.302 -1.865 1.00 1.52 H new ATOM 0 HG22 VAL A 122 5.594 -0.220 -3.197 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.324 -0.435 -3.551 1.00 1.52 H new ATOM 1492 N LYS A 123 8.839 2.123 -5.041 1.00 0.76 N ATOM 1493 CA LYS A 123 9.976 1.632 -5.795 1.00 0.97 C ATOM 1494 C LYS A 123 11.268 2.111 -5.165 1.00 1.04 C ATOM 1495 O LYS A 123 11.402 3.289 -4.834 1.00 1.02 O ATOM 1496 CB LYS A 123 9.913 2.072 -7.264 1.00 1.11 C ATOM 1497 CG LYS A 123 10.836 1.263 -8.165 1.00 1.66 C ATOM 1498 CD LYS A 123 10.814 1.743 -9.609 1.00 2.03 C ATOM 1499 CE LYS A 123 11.543 3.067 -9.780 1.00 2.74 C ATOM 1500 NZ LYS A 123 11.685 3.440 -11.214 1.00 3.45 N ATOM 0 H LYS A 123 9.022 2.960 -4.488 1.00 0.76 H new ATOM 0 HA LYS A 123 9.944 0.543 -5.770 1.00 0.97 H new ATOM 0 HB2 LYS A 123 8.888 1.977 -7.623 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.178 3.127 -7.334 1.00 1.11 H new ATOM 0 HG2 LYS A 123 11.855 1.322 -7.782 1.00 1.66 H new ATOM 0 HG3 LYS A 123 10.543 0.214 -8.130 1.00 1.66 H new ATOM 0 HD2 LYS A 123 11.275 0.990 -10.248 1.00 2.03 H new ATOM 0 HD3 LYS A 123 9.781 1.853 -9.939 1.00 2.03 H new ATOM 0 HE2 LYS A 123 11.000 3.851 -9.253 1.00 2.74 H new ATOM 0 HE3 LYS A 123 12.530 3.000 -9.323 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 12.187 4.348 -11.289 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 12.225 2.704 -11.712 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 10.742 3.529 -11.644 1.00 3.45 H new ATOM 1514 N ARG A 124 12.200 1.192 -4.985 1.00 1.23 N ATOM 1515 CA ARG A 124 13.486 1.522 -4.400 1.00 1.40 C ATOM 1516 C ARG A 124 14.465 1.952 -5.486 1.00 1.63 C ATOM 1517 O ARG A 124 14.492 1.382 -6.583 1.00 1.81 O ATOM 1518 CB ARG A 124 14.043 0.332 -3.607 1.00 1.65 C ATOM 1519 CG ARG A 124 14.376 -0.881 -4.459 1.00 1.97 C ATOM 1520 CD ARG A 124 14.892 -2.025 -3.605 1.00 2.31 C ATOM 1521 NE ARG A 124 15.478 -3.090 -4.415 1.00 2.83 N ATOM 1522 CZ ARG A 124 15.490 -4.373 -4.060 1.00 3.38 C ATOM 1523 NH1 ARG A 124 14.907 -4.758 -2.932 1.00 3.50 N ATOM 1524 NH2 ARG A 124 16.086 -5.269 -4.834 1.00 4.23 N ATOM 0 H ARG A 124 12.089 0.210 -5.236 1.00 1.23 H new ATOM 0 HA ARG A 124 13.349 2.354 -3.709 1.00 1.40 H new ATOM 0 HB2 ARG A 124 14.942 0.650 -3.080 1.00 1.65 H new ATOM 0 HB3 ARG A 124 13.315 0.042 -2.849 1.00 1.65 H new ATOM 0 HG2 ARG A 124 13.488 -1.202 -5.003 1.00 1.97 H new ATOM 0 HG3 ARG A 124 15.126 -0.612 -5.203 1.00 1.97 H new ATOM 0 HD2 ARG A 124 15.639 -1.648 -2.906 1.00 2.31 H new ATOM 0 HD3 ARG A 124 14.074 -2.431 -3.009 1.00 2.31 H new ATOM 0 HE ARG A 124 15.904 -2.835 -5.306 1.00 2.83 H new ATOM 0 HH11 ARG A 124 14.448 -4.070 -2.335 1.00 3.50 H new ATOM 0 HH12 ARG A 124 14.918 -5.742 -2.662 1.00 3.50 H new ATOM 0 HH21 ARG A 124 16.535 -4.975 -5.701 1.00 4.23 H new ATOM 0 HH22 ARG A 124 16.095 -6.252 -4.562 1.00 4.23 H new ATOM 1538 N VAL A 125 15.250 2.968 -5.185 1.00 1.80 N ATOM 1539 CA VAL A 125 16.215 3.492 -6.128 1.00 2.18 C ATOM 1540 C VAL A 125 17.610 3.524 -5.500 1.00 2.76 C ATOM 1541 O VAL A 125 17.742 3.993 -4.348 1.00 3.34 O ATOM 1542 CB VAL A 125 15.849 4.696 -6.579 1.00 2.48 C ATOM 1543 CG1 VAL A 125 15.638 5.693 -5.444 1.00 3.01 C ATOM 1544 CG2 VAL A 125 16.841 5.238 -7.592 1.00 3.14 C ATOM 1545 OXT VAL A 125 18.568 3.054 -6.150 1.00 3.27 O ATOM 0 H VAL A 125 15.237 3.450 -4.286 1.00 1.80 H new ATOM 0 HA VAL A 125 16.249 2.826 -6.990 1.00 2.18 H new ATOM 0 HB VAL A 125 14.891 4.562 -7.082 1.00 2.48 H new ATOM 0 HG11 VAL A 125 15.342 6.657 -5.857 1.00 3.01 H new ATOM 0 HG12 VAL A 125 14.856 5.327 -4.779 1.00 3.01 H new ATOM 0 HG13 VAL A 125 16.566 5.808 -4.884 1.00 3.01 H new ATOM 0 HG21 VAL A 125 16.511 6.218 -7.936 1.00 3.14 H new ATOM 0 HG22 VAL A 125 17.823 5.329 -7.127 1.00 3.14 H new ATOM 0 HG23 VAL A 125 16.903 4.557 -8.441 1.00 3.14 H new TER 1555 VAL A 125 HETATM 1556 C1 HC4 A 169 -2.515 -9.085 15.746 1.00 12.02 C HETATM 1557 O1 HC4 A 169 -1.664 -9.907 16.040 1.00 12.16 O HETATM 1558 C2 HC4 A 169 -2.825 -7.782 16.527 1.00 12.51 C HETATM 1559 C3 HC4 A 169 -2.209 -7.337 17.645 1.00 13.15 C HETATM 1560 C1' HC4 A 169 -1.029 -7.841 18.359 1.00 13.58 C HETATM 1561 C2' HC4 A 169 -0.585 -7.149 19.485 1.00 14.40 C HETATM 1562 C3' HC4 A 169 0.502 -7.583 20.220 1.00 14.99 C HETATM 1563 C4' HC4 A 169 1.167 -8.726 19.844 1.00 14.81 C HETATM 1564 C5' HC4 A 169 0.754 -9.432 18.745 1.00 14.03 C HETATM 1565 C6' HC4 A 169 -0.335 -8.993 18.018 1.00 13.40 C HETATM 1566 O4' HC4 A 169 2.249 -9.164 20.570 1.00 15.56 O HETATM 0 HO4' HC4 A 169 2.601 -9.986 20.169 1.00 15.56 H new HETATM 0 H6' HC4 A 169 -0.659 -9.568 17.151 1.00 13.40 H new HETATM 0 H5' HC4 A 169 1.283 -10.337 18.446 1.00 14.03 H new HETATM 0 H3' HC4 A 169 0.831 -7.021 21.094 1.00 14.99 H new HETATM 0 H3 HC4 A 169 -2.666 -6.454 18.092 1.00 13.15 H new HETATM 0 H2' HC4 A 169 -1.108 -6.244 19.793 1.00 14.40 H new HETATM 0 H2 HC4 A 169 -3.626 -7.157 16.132 1.00 12.51 H new