USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= 0.393 K(o=0.74,f=0.022) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 176:sc= 0.346 (180deg=-0.0354) USER MOD Set 2.1: A 41 MET CE :methyl 128:sc= -1.25 (180deg=-1.33) USER MOD Set 2.2: A 49 MET CE :methyl -173:sc= -2.64! (180deg=-2.66!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.000113 USER MOD Single : A 19 TYR OH : rot 55:sc= 1.34 USER MOD Single : A 26 SER OG : rot -150:sc= -0.752 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 129:sc= 1.32 (180deg=0.531) USER MOD Single : A 48 LYS NZ :NH3+ -119:sc= 1.26 (180deg=-0.265) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.132 USER MOD Single : A 62 THR OG1 : rot -74:sc= 0.665 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.1) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 30:sc= 0.638 USER MOD Single : A 80 THR OG1 : rot -90:sc= -0.398 USER MOD Single : A 85 SER OG : rot -85:sc= 1.14 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 14 12.183 0.041 -0.963 1.00 0.88 N ATOM 50 CA ASN A 14 11.394 -0.150 0.253 1.00 0.81 C ATOM 51 C ASN A 14 9.908 -0.169 -0.076 1.00 0.64 C ATOM 52 O ASN A 14 9.105 -0.786 0.628 1.00 0.66 O ATOM 53 CB ASN A 14 11.701 0.965 1.251 1.00 0.96 C ATOM 54 CG ASN A 14 11.639 0.489 2.695 1.00 1.62 C ATOM 55 OD1 ASN A 14 10.628 -0.068 3.135 1.00 2.24 O ATOM 56 ND2 ASN A 14 12.708 0.701 3.447 1.00 2.24 N ATOM 0 HA ASN A 14 11.660 -1.108 0.699 1.00 0.81 H new ATOM 0 HB2 ASN A 14 12.693 1.368 1.047 1.00 0.96 H new ATOM 0 HB3 ASN A 14 10.991 1.780 1.110 1.00 0.96 H new ATOM 0 HD21 ASN A 14 12.713 0.401 4.422 1.00 2.24 H new ATOM 0 HD22 ASN A 14 13.526 1.164 3.051 1.00 2.24 H new ATOM 63 N LEU A 15 9.561 0.506 -1.165 1.00 0.56 N ATOM 64 CA LEU A 15 8.183 0.593 -1.635 1.00 0.48 C ATOM 65 C LEU A 15 7.620 -0.787 -1.990 1.00 0.37 C ATOM 66 O LEU A 15 6.410 -1.015 -1.903 1.00 0.33 O ATOM 67 CB LEU A 15 8.107 1.515 -2.852 1.00 0.58 C ATOM 68 CG LEU A 15 6.849 2.378 -2.939 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.203 3.783 -3.392 1.00 0.91 C ATOM 70 CD2 LEU A 15 5.839 1.756 -3.889 1.00 0.60 C ATOM 0 H LEU A 15 10.229 1.010 -1.749 1.00 0.56 H new ATOM 0 HA LEU A 15 7.578 1.003 -0.826 1.00 0.48 H new ATOM 0 HB2 LEU A 15 8.978 2.171 -2.846 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.173 0.906 -3.754 1.00 0.58 H new ATOM 0 HG LEU A 15 6.400 2.434 -1.947 1.00 0.65 H new ATOM 0 HD11 LEU A 15 6.297 4.386 -3.449 1.00 0.91 H new ATOM 0 HD12 LEU A 15 7.893 4.232 -2.678 1.00 0.91 H new ATOM 0 HD13 LEU A 15 7.673 3.741 -4.374 1.00 0.91 H new ATOM 0 HD21 LEU A 15 4.950 2.385 -3.938 1.00 0.60 H new ATOM 0 HD22 LEU A 15 6.279 1.671 -4.883 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.563 0.765 -3.529 1.00 0.60 H new ATOM 82 N ARG A 16 8.495 -1.709 -2.391 1.00 0.36 N ATOM 83 CA ARG A 16 8.070 -3.059 -2.752 1.00 0.33 C ATOM 84 C ARG A 16 7.475 -3.778 -1.547 1.00 0.27 C ATOM 85 O ARG A 16 6.518 -4.542 -1.676 1.00 0.28 O ATOM 86 CB ARG A 16 9.229 -3.863 -3.334 1.00 0.40 C ATOM 87 CG ARG A 16 8.802 -4.712 -4.510 1.00 0.65 C ATOM 88 CD ARG A 16 9.165 -6.176 -4.326 1.00 1.29 C ATOM 89 NE ARG A 16 8.018 -6.996 -3.954 1.00 2.05 N ATOM 90 CZ ARG A 16 6.999 -7.281 -4.764 1.00 2.78 C ATOM 91 NH1 ARG A 16 6.967 -6.814 -6.010 1.00 3.11 N ATOM 92 NH2 ARG A 16 6.040 -8.082 -4.339 1.00 3.67 N ATOM 0 H ARG A 16 9.498 -1.546 -2.474 1.00 0.36 H new ATOM 0 HA ARG A 16 7.300 -2.972 -3.518 1.00 0.33 H new ATOM 0 HB2 ARG A 16 10.020 -3.182 -3.648 1.00 0.40 H new ATOM 0 HB3 ARG A 16 9.650 -4.504 -2.559 1.00 0.40 H new ATOM 0 HG2 ARG A 16 7.725 -4.622 -4.648 1.00 0.65 H new ATOM 0 HG3 ARG A 16 9.273 -4.335 -5.418 1.00 0.65 H new ATOM 0 HD2 ARG A 16 9.596 -6.559 -5.251 1.00 1.29 H new ATOM 0 HD3 ARG A 16 9.933 -6.262 -3.557 1.00 1.29 H new ATOM 0 HE ARG A 16 7.994 -7.378 -3.008 1.00 2.05 H new ATOM 0 HH11 ARG A 16 7.729 -6.230 -6.356 1.00 3.11 H new ATOM 0 HH12 ARG A 16 6.181 -7.040 -6.619 1.00 3.11 H new ATOM 0 HH21 ARG A 16 6.084 -8.476 -3.399 1.00 3.67 H new ATOM 0 HH22 ARG A 16 5.255 -8.307 -4.950 1.00 3.67 H new ATOM 106 N MET A 17 8.034 -3.496 -0.376 1.00 0.28 N ATOM 107 CA MET A 17 7.558 -4.081 0.872 1.00 0.32 C ATOM 108 C MET A 17 6.176 -3.528 1.210 1.00 0.25 C ATOM 109 O MET A 17 5.309 -4.251 1.711 1.00 0.27 O ATOM 110 CB MET A 17 8.542 -3.776 1.999 1.00 0.45 C ATOM 111 CG MET A 17 8.393 -4.691 3.201 1.00 0.81 C ATOM 112 SD MET A 17 8.769 -3.858 4.756 1.00 1.96 S ATOM 113 CE MET A 17 7.879 -4.896 5.919 1.00 2.93 C ATOM 0 H MET A 17 8.824 -2.860 -0.265 1.00 0.28 H new ATOM 0 HA MET A 17 7.484 -5.162 0.756 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.559 -3.858 1.614 1.00 0.45 H new ATOM 0 HB3 MET A 17 8.405 -2.743 2.320 1.00 0.45 H new ATOM 0 HG2 MET A 17 7.374 -5.076 3.236 1.00 0.81 H new ATOM 0 HG3 MET A 17 9.054 -5.550 3.084 1.00 0.81 H new ATOM 0 HE1 MET A 17 8.014 -4.509 6.929 1.00 2.93 H new ATOM 0 HE2 MET A 17 6.818 -4.895 5.669 1.00 2.93 H new ATOM 0 HE3 MET A 17 8.264 -5.915 5.866 1.00 2.93 H new ATOM 123 N THR A 18 5.972 -2.253 0.898 1.00 0.21 N ATOM 124 CA THR A 18 4.693 -1.589 1.120 1.00 0.20 C ATOM 125 C THR A 18 3.609 -2.288 0.309 1.00 0.19 C ATOM 126 O THR A 18 2.532 -2.603 0.822 1.00 0.23 O ATOM 127 CB THR A 18 4.778 -0.105 0.710 1.00 0.27 C ATOM 128 OG1 THR A 18 6.057 0.428 1.096 1.00 0.38 O ATOM 129 CG2 THR A 18 3.666 0.709 1.353 1.00 0.30 C ATOM 0 H THR A 18 6.686 -1.652 0.486 1.00 0.21 H new ATOM 0 HA THR A 18 4.447 -1.643 2.180 1.00 0.20 H new ATOM 0 HB THR A 18 4.662 -0.041 -0.372 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.111 1.371 0.834 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.753 1.751 1.045 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.699 0.317 1.038 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.748 0.644 2.438 1.00 0.30 H new ATOM 137 N TYR A 19 3.924 -2.563 -0.949 1.00 0.21 N ATOM 138 CA TYR A 19 3.004 -3.254 -1.837 1.00 0.28 C ATOM 139 C TYR A 19 2.726 -4.662 -1.325 1.00 0.31 C ATOM 140 O TYR A 19 1.601 -5.153 -1.408 1.00 0.36 O ATOM 141 CB TYR A 19 3.574 -3.325 -3.257 1.00 0.35 C ATOM 142 CG TYR A 19 2.653 -4.018 -4.237 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.708 -3.298 -4.959 1.00 0.32 C ATOM 144 CD2 TYR A 19 2.736 -5.390 -4.453 1.00 0.52 C ATOM 145 CE1 TYR A 19 0.882 -3.920 -5.873 1.00 0.39 C ATOM 146 CE2 TYR A 19 1.907 -6.019 -5.363 1.00 0.59 C ATOM 147 CZ TYR A 19 0.935 -5.307 -6.005 1.00 0.52 C ATOM 148 OH TYR A 19 0.166 -5.898 -6.985 1.00 0.61 O ATOM 0 H TYR A 19 4.816 -2.316 -1.378 1.00 0.21 H new ATOM 0 HA TYR A 19 2.070 -2.692 -1.860 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.776 -2.314 -3.611 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.529 -3.851 -3.232 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.619 -2.233 -4.802 1.00 0.32 H new ATOM 0 HD2 TYR A 19 3.459 -5.972 -3.901 1.00 0.52 H new ATOM 0 HE1 TYR A 19 0.202 -3.339 -6.479 1.00 0.39 H new ATOM 0 HE2 TYR A 19 2.028 -7.073 -5.566 1.00 0.59 H new ATOM 0 HH TYR A 19 0.376 -5.495 -7.853 1.00 0.61 H new ATOM 158 N GLU A 20 3.763 -5.312 -0.801 1.00 0.32 N ATOM 159 CA GLU A 20 3.636 -6.668 -0.286 1.00 0.40 C ATOM 160 C GLU A 20 2.680 -6.724 0.901 1.00 0.35 C ATOM 161 O GLU A 20 1.784 -7.563 0.939 1.00 0.35 O ATOM 162 CB GLU A 20 5.007 -7.215 0.104 1.00 0.51 C ATOM 163 CG GLU A 20 5.479 -8.341 -0.792 1.00 1.21 C ATOM 164 CD GLU A 20 6.987 -8.421 -0.884 1.00 1.65 C ATOM 165 OE1 GLU A 20 7.673 -7.999 0.067 1.00 2.35 O ATOM 166 OE2 GLU A 20 7.495 -8.912 -1.914 1.00 1.93 O ATOM 0 H GLU A 20 4.701 -4.918 -0.723 1.00 0.32 H new ATOM 0 HA GLU A 20 3.219 -7.292 -1.077 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.736 -6.405 0.073 1.00 0.51 H new ATOM 0 HB3 GLU A 20 4.969 -7.571 1.134 1.00 0.51 H new ATOM 0 HG2 GLU A 20 5.091 -9.287 -0.414 1.00 1.21 H new ATOM 0 HG3 GLU A 20 5.065 -8.203 -1.791 1.00 1.21 H new ATOM 173 N ARG A 21 2.867 -5.818 1.858 1.00 0.33 N ATOM 174 CA ARG A 21 2.009 -5.765 3.041 1.00 0.32 C ATOM 175 C ARG A 21 0.557 -5.521 2.630 1.00 0.26 C ATOM 176 O ARG A 21 -0.371 -6.005 3.267 1.00 0.29 O ATOM 177 CB ARG A 21 2.481 -4.657 3.985 1.00 0.34 C ATOM 178 CG ARG A 21 1.957 -4.787 5.406 1.00 0.48 C ATOM 179 CD ARG A 21 3.090 -4.830 6.421 1.00 0.87 C ATOM 180 NE ARG A 21 2.881 -5.854 7.441 1.00 1.73 N ATOM 181 CZ ARG A 21 3.195 -5.708 8.734 1.00 2.60 C ATOM 182 NH1 ARG A 21 3.653 -4.544 9.186 1.00 2.99 N ATOM 183 NH2 ARG A 21 3.048 -6.733 9.573 1.00 3.57 N ATOM 0 H ARG A 21 3.603 -5.112 1.839 1.00 0.33 H new ATOM 0 HA ARG A 21 2.071 -6.721 3.561 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.571 -4.655 4.010 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.170 -3.694 3.581 1.00 0.34 H new ATOM 0 HG2 ARG A 21 1.299 -3.947 5.630 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.357 -5.693 5.491 1.00 0.48 H new ATOM 0 HD2 ARG A 21 4.031 -5.021 5.905 1.00 0.87 H new ATOM 0 HD3 ARG A 21 3.182 -3.856 6.901 1.00 0.87 H new ATOM 0 HE ARG A 21 2.468 -6.740 7.149 1.00 1.73 H new ATOM 0 HH11 ARG A 21 3.766 -3.758 8.546 1.00 2.99 H new ATOM 0 HH12 ARG A 21 3.891 -4.438 10.172 1.00 2.99 H new ATOM 0 HH21 ARG A 21 2.697 -7.627 9.230 1.00 3.57 H new ATOM 0 HH22 ARG A 21 3.287 -6.624 10.559 1.00 3.57 H new ATOM 197 N LEU A 22 0.379 -4.783 1.546 1.00 0.22 N ATOM 198 CA LEU A 22 -0.947 -4.483 1.027 1.00 0.20 C ATOM 199 C LEU A 22 -1.528 -5.689 0.306 1.00 0.23 C ATOM 200 O LEU A 22 -2.714 -5.967 0.419 1.00 0.24 O ATOM 201 CB LEU A 22 -0.862 -3.321 0.043 1.00 0.22 C ATOM 202 CG LEU A 22 -0.952 -1.933 0.651 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.190 -0.933 -0.207 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.408 -1.523 0.781 1.00 0.33 C ATOM 0 H LEU A 22 1.142 -4.378 1.004 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.591 -4.222 1.867 1.00 0.20 H new ATOM 0 HB2 LEU A 22 0.079 -3.398 -0.501 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.663 -3.429 -0.688 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.501 -1.947 1.643 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.262 0.059 0.239 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.857 -1.229 -0.267 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.619 -0.912 -1.209 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.468 -0.526 1.218 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.873 -1.516 -0.205 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.930 -2.232 1.423 1.00 0.33 H new ATOM 216 N ARG A 23 -0.686 -6.392 -0.442 1.00 0.27 N ATOM 217 CA ARG A 23 -1.117 -7.562 -1.199 1.00 0.32 C ATOM 218 C ARG A 23 -1.470 -8.707 -0.266 1.00 0.31 C ATOM 219 O ARG A 23 -2.429 -9.441 -0.502 1.00 0.34 O ATOM 220 CB ARG A 23 -0.011 -7.994 -2.171 1.00 0.39 C ATOM 221 CG ARG A 23 -0.398 -9.153 -3.070 1.00 0.82 C ATOM 222 CD ARG A 23 -0.496 -8.723 -4.518 1.00 1.40 C ATOM 223 NE ARG A 23 -1.558 -9.447 -5.213 1.00 1.98 N ATOM 224 CZ ARG A 23 -2.385 -8.906 -6.105 1.00 2.61 C ATOM 225 NH1 ARG A 23 -2.220 -7.646 -6.488 1.00 3.01 N ATOM 226 NH2 ARG A 23 -3.350 -9.645 -6.653 1.00 3.33 N ATOM 0 H ARG A 23 0.305 -6.171 -0.541 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.008 -7.297 -1.768 1.00 0.32 H new ATOM 0 HB2 ARG A 23 0.266 -7.142 -2.792 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.874 -8.271 -1.598 1.00 0.39 H new ATOM 0 HG2 ARG A 23 0.339 -9.950 -2.975 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -1.354 -9.563 -2.746 1.00 0.82 H new ATOM 0 HD2 ARG A 23 -0.689 -7.651 -4.570 1.00 1.40 H new ATOM 0 HD3 ARG A 23 0.456 -8.900 -5.018 1.00 1.40 H new ATOM 0 HE ARG A 23 -1.674 -10.438 -4.999 1.00 1.98 H new ATOM 0 HH11 ARG A 23 -1.458 -7.090 -6.099 1.00 3.01 H new ATOM 0 HH12 ARG A 23 -2.855 -7.233 -7.172 1.00 3.01 H new ATOM 0 HH21 ARG A 23 -3.454 -10.625 -6.389 1.00 3.33 H new ATOM 0 HH22 ARG A 23 -3.984 -9.231 -7.336 1.00 3.33 H new ATOM 240 N GLU A 24 -0.703 -8.848 0.800 1.00 0.31 N ATOM 241 CA GLU A 24 -0.941 -9.897 1.766 1.00 0.33 C ATOM 242 C GLU A 24 -2.190 -9.590 2.586 1.00 0.28 C ATOM 243 O GLU A 24 -2.957 -10.484 2.947 1.00 0.30 O ATOM 244 CB GLU A 24 0.275 -10.023 2.681 1.00 0.38 C ATOM 245 CG GLU A 24 0.948 -11.384 2.624 1.00 0.61 C ATOM 246 CD GLU A 24 0.056 -12.503 3.109 1.00 1.63 C ATOM 247 OE1 GLU A 24 -0.718 -13.052 2.294 1.00 2.24 O ATOM 248 OE2 GLU A 24 0.123 -12.842 4.307 1.00 2.36 O ATOM 0 H GLU A 24 0.091 -8.246 1.016 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.100 -10.840 1.243 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.002 -9.257 2.411 1.00 0.38 H new ATOM 0 HB3 GLU A 24 -0.032 -9.823 3.707 1.00 0.38 H new ATOM 0 HG2 GLU A 24 1.254 -11.589 1.598 1.00 0.61 H new ATOM 0 HG3 GLU A 24 1.854 -11.361 3.229 1.00 0.61 H new ATOM 255 N LEU A 25 -2.391 -8.311 2.874 1.00 0.24 N ATOM 256 CA LEU A 25 -3.539 -7.875 3.656 1.00 0.22 C ATOM 257 C LEU A 25 -4.804 -7.928 2.799 1.00 0.18 C ATOM 258 O LEU A 25 -5.878 -8.291 3.285 1.00 0.20 O ATOM 259 CB LEU A 25 -3.315 -6.450 4.182 1.00 0.22 C ATOM 260 CG LEU A 25 -3.684 -6.193 5.653 1.00 0.25 C ATOM 261 CD1 LEU A 25 -4.380 -4.847 5.813 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.531 -7.331 6.225 1.00 0.28 C ATOM 0 H LEU A 25 -1.772 -7.556 2.577 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.660 -8.545 4.507 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.263 -6.198 4.045 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.891 -5.763 3.561 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.758 -6.160 6.227 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.630 -4.689 6.862 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.716 -4.052 5.475 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -5.292 -4.836 5.217 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.773 -7.116 7.266 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.452 -7.424 5.650 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.972 -8.265 6.168 1.00 0.28 H new ATOM 274 N SER A 26 -4.662 -7.571 1.524 1.00 0.17 N ATOM 275 CA SER A 26 -5.771 -7.571 0.580 1.00 0.16 C ATOM 276 C SER A 26 -6.308 -8.983 0.365 1.00 0.19 C ATOM 277 O SER A 26 -7.518 -9.191 0.227 1.00 0.22 O ATOM 278 CB SER A 26 -5.297 -6.965 -0.746 1.00 0.19 C ATOM 279 OG SER A 26 -5.789 -5.652 -0.910 1.00 0.86 O ATOM 0 H SER A 26 -3.774 -7.274 1.119 1.00 0.17 H new ATOM 0 HA SER A 26 -6.585 -6.970 0.985 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.207 -6.955 -0.776 1.00 0.19 H new ATOM 0 HB3 SER A 26 -5.633 -7.588 -1.575 1.00 0.19 H new ATOM 0 HG SER A 26 -5.904 -5.463 -1.865 1.00 0.86 H new ATOM 285 N LEU A 27 -5.407 -9.948 0.358 1.00 0.23 N ATOM 286 CA LEU A 27 -5.783 -11.337 0.181 1.00 0.28 C ATOM 287 C LEU A 27 -6.395 -11.868 1.466 1.00 0.29 C ATOM 288 O LEU A 27 -7.252 -12.750 1.450 1.00 0.34 O ATOM 289 CB LEU A 27 -4.552 -12.165 -0.202 1.00 0.33 C ATOM 290 CG LEU A 27 -4.389 -12.445 -1.701 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.386 -11.154 -2.510 1.00 0.54 C ATOM 292 CD2 LEU A 27 -3.113 -13.234 -1.959 1.00 0.60 C ATOM 0 H LEU A 27 -4.405 -9.793 0.473 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.519 -11.413 -0.620 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -3.661 -11.646 0.153 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.597 -13.118 0.326 1.00 0.33 H new ATOM 0 HG LEU A 27 -5.243 -13.040 -2.023 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.269 -11.388 -3.568 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -5.328 -10.627 -2.357 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -3.559 -10.522 -2.184 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -3.013 -13.424 -3.028 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -2.254 -12.661 -1.610 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -3.157 -14.183 -1.424 1.00 0.60 H new ATOM 304 N ASN A 28 -5.942 -11.318 2.581 1.00 0.28 N ATOM 305 CA ASN A 28 -6.432 -11.725 3.882 1.00 0.35 C ATOM 306 C ASN A 28 -7.847 -11.231 4.127 1.00 0.35 C ATOM 307 O ASN A 28 -8.775 -12.025 4.239 1.00 0.42 O ATOM 308 CB ASN A 28 -5.500 -11.211 4.979 1.00 0.41 C ATOM 309 CG ASN A 28 -5.519 -12.102 6.199 1.00 0.84 C ATOM 310 OD1 ASN A 28 -6.115 -11.762 7.219 1.00 1.14 O ATOM 311 ND2 ASN A 28 -4.876 -13.257 6.100 1.00 1.31 N ATOM 0 H ASN A 28 -5.233 -10.586 2.608 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.451 -12.815 3.904 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.483 -11.148 4.591 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.796 -10.201 5.263 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -4.863 -13.903 6.889 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -4.394 -13.500 5.234 1.00 1.31 H new ATOM 318 N LEU A 29 -7.999 -9.917 4.211 1.00 0.33 N ATOM 319 CA LEU A 29 -9.300 -9.299 4.458 1.00 0.38 C ATOM 320 C LEU A 29 -10.287 -9.607 3.342 1.00 0.40 C ATOM 321 O LEU A 29 -11.475 -9.795 3.592 1.00 0.49 O ATOM 322 CB LEU A 29 -9.156 -7.783 4.599 1.00 0.40 C ATOM 323 CG LEU A 29 -8.281 -7.314 5.754 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.634 -5.992 5.402 1.00 0.36 C ATOM 325 CD2 LEU A 29 -9.100 -7.168 7.020 1.00 0.39 C ATOM 0 H LEU A 29 -7.233 -9.251 4.111 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.685 -9.719 5.387 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.746 -7.386 3.670 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -10.149 -7.350 4.719 1.00 0.40 H new ATOM 0 HG LEU A 29 -7.506 -8.060 5.929 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -7.009 -5.661 6.231 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -7.019 -6.114 4.510 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.407 -5.248 5.210 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -8.456 -6.832 7.833 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.892 -6.437 6.859 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -9.542 -8.130 7.281 1.00 0.39 H new ATOM 337 N GLY A 30 -9.787 -9.644 2.114 1.00 0.35 N ATOM 338 CA GLY A 30 -10.635 -9.912 0.973 1.00 0.43 C ATOM 339 C GLY A 30 -11.270 -11.288 1.002 1.00 0.53 C ATOM 340 O GLY A 30 -12.421 -11.452 0.586 1.00 0.65 O ATOM 0 H GLY A 30 -8.804 -9.492 1.889 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.421 -9.158 0.930 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.046 -9.811 0.061 1.00 0.43 H new ATOM 344 N ASN A 31 -10.528 -12.288 1.472 1.00 0.53 N ATOM 345 CA ASN A 31 -11.050 -13.654 1.513 1.00 0.66 C ATOM 346 C ASN A 31 -11.651 -13.989 2.874 1.00 0.71 C ATOM 347 O ASN A 31 -12.370 -14.976 3.013 1.00 0.84 O ATOM 348 CB ASN A 31 -9.945 -14.657 1.166 1.00 0.70 C ATOM 349 CG ASN A 31 -10.455 -15.837 0.360 1.00 1.17 C ATOM 350 OD1 ASN A 31 -10.809 -15.705 -0.816 1.00 1.94 O ATOM 351 ND2 ASN A 31 -10.487 -17.004 0.981 1.00 1.52 N ATOM 0 H ASN A 31 -9.577 -12.183 1.825 1.00 0.53 H new ATOM 0 HA ASN A 31 -11.845 -13.723 0.771 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -9.163 -14.149 0.602 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -9.489 -15.021 2.087 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -10.812 -17.835 0.488 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -10.186 -17.073 1.953 1.00 1.52 H new ATOM 358 N ARG A 32 -11.369 -13.155 3.868 1.00 0.66 N ATOM 359 CA ARG A 32 -11.896 -13.355 5.213 1.00 0.77 C ATOM 360 C ARG A 32 -13.252 -12.660 5.335 1.00 0.86 C ATOM 361 O ARG A 32 -13.999 -12.851 6.300 1.00 1.01 O ATOM 362 CB ARG A 32 -10.890 -12.798 6.227 1.00 0.76 C ATOM 363 CG ARG A 32 -11.466 -12.469 7.591 1.00 0.91 C ATOM 364 CD ARG A 32 -11.125 -11.050 8.001 1.00 1.14 C ATOM 365 NE ARG A 32 -10.272 -11.011 9.184 1.00 2.09 N ATOM 366 CZ ARG A 32 -10.243 -9.995 10.045 1.00 2.75 C ATOM 367 NH1 ARG A 32 -11.023 -8.934 9.864 1.00 2.70 N ATOM 368 NH2 ARG A 32 -9.428 -10.038 11.096 1.00 3.82 N ATOM 0 H ARG A 32 -10.776 -12.331 3.767 1.00 0.66 H new ATOM 0 HA ARG A 32 -12.041 -14.416 5.414 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -10.087 -13.524 6.355 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -10.441 -11.895 5.812 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -12.549 -12.595 7.572 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -11.077 -13.168 8.331 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -10.623 -10.545 7.176 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -12.045 -10.499 8.199 1.00 1.14 H new ATOM 0 HE ARG A 32 -9.662 -11.809 9.362 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -11.650 -8.893 9.061 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -10.994 -8.161 10.528 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -8.826 -10.848 11.242 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -9.405 -9.260 11.756 1.00 3.82 H new ATOM 382 N MET A 33 -13.582 -11.887 4.315 1.00 0.83 N ATOM 383 CA MET A 33 -14.854 -11.197 4.265 1.00 0.96 C ATOM 384 C MET A 33 -15.848 -12.062 3.511 1.00 1.17 C ATOM 385 O MET A 33 -15.521 -12.607 2.461 1.00 1.55 O ATOM 386 CB MET A 33 -14.705 -9.829 3.592 1.00 0.80 C ATOM 387 CG MET A 33 -15.484 -8.719 4.288 1.00 0.95 C ATOM 388 SD MET A 33 -14.454 -7.298 4.701 1.00 1.18 S ATOM 389 CE MET A 33 -15.188 -6.044 3.659 1.00 1.84 C ATOM 0 H MET A 33 -12.981 -11.723 3.507 1.00 0.83 H new ATOM 0 HA MET A 33 -15.215 -11.025 5.279 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.649 -9.559 3.566 1.00 0.80 H new ATOM 0 HB3 MET A 33 -15.041 -9.904 2.558 1.00 0.80 H new ATOM 0 HG2 MET A 33 -16.301 -8.395 3.643 1.00 0.95 H new ATOM 0 HG3 MET A 33 -15.934 -9.113 5.199 1.00 0.95 H new ATOM 0 HE1 MET A 33 -14.661 -5.100 3.799 1.00 1.84 H new ATOM 0 HE2 MET A 33 -15.114 -6.349 2.615 1.00 1.84 H new ATOM 0 HE3 MET A 33 -16.237 -5.917 3.927 1.00 1.84 H new ATOM 399 N VAL A 34 -17.044 -12.217 4.054 1.00 1.22 N ATOM 400 CA VAL A 34 -18.058 -13.042 3.418 1.00 1.41 C ATOM 401 C VAL A 34 -19.308 -12.205 3.152 1.00 1.54 C ATOM 402 O VAL A 34 -19.887 -11.634 4.078 1.00 1.66 O ATOM 403 CB VAL A 34 -18.415 -14.278 4.281 1.00 1.65 C ATOM 404 CG1 VAL A 34 -19.246 -15.266 3.478 1.00 1.87 C ATOM 405 CG2 VAL A 34 -17.159 -14.958 4.820 1.00 1.64 C ATOM 0 H VAL A 34 -17.336 -11.784 4.930 1.00 1.22 H new ATOM 0 HA VAL A 34 -17.654 -13.407 2.474 1.00 1.41 H new ATOM 0 HB VAL A 34 -19.003 -13.933 5.131 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -19.488 -16.128 4.100 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -20.168 -14.785 3.151 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -18.679 -15.595 2.607 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -17.442 -15.822 5.422 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -16.536 -15.285 3.987 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -16.600 -14.254 5.437 1.00 1.64 H new ATOM 415 N PRO A 35 -19.741 -12.099 1.883 1.00 1.58 N ATOM 416 CA PRO A 35 -19.084 -12.751 0.737 1.00 1.51 C ATOM 417 C PRO A 35 -17.733 -12.116 0.403 1.00 1.32 C ATOM 418 O PRO A 35 -17.526 -10.920 0.633 1.00 1.30 O ATOM 419 CB PRO A 35 -20.081 -12.537 -0.407 1.00 1.71 C ATOM 420 CG PRO A 35 -20.837 -11.310 -0.028 1.00 1.86 C ATOM 421 CD PRO A 35 -20.922 -11.324 1.471 1.00 1.75 C ATOM 0 HA PRO A 35 -18.860 -13.799 0.933 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -19.568 -12.407 -1.360 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -20.746 -13.393 -0.517 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -20.328 -10.413 -0.382 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -21.831 -11.310 -0.475 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -20.901 -10.315 1.882 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.846 -11.789 1.815 1.00 1.75 H new ATOM 429 N PRO A 36 -16.790 -12.920 -0.115 1.00 1.22 N ATOM 430 CA PRO A 36 -15.444 -12.447 -0.455 1.00 1.08 C ATOM 431 C PRO A 36 -15.463 -11.255 -1.392 1.00 1.17 C ATOM 432 O PRO A 36 -16.264 -11.189 -2.328 1.00 1.42 O ATOM 433 CB PRO A 36 -14.801 -13.645 -1.138 1.00 1.12 C ATOM 434 CG PRO A 36 -15.517 -14.813 -0.559 1.00 1.14 C ATOM 435 CD PRO A 36 -16.943 -14.360 -0.378 1.00 1.27 C ATOM 0 HA PRO A 36 -14.906 -12.104 0.429 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -14.920 -13.600 -2.220 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -13.731 -13.693 -0.937 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -15.460 -15.676 -1.222 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -15.076 -15.112 0.392 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -17.544 -14.548 -1.267 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -17.430 -14.874 0.451 1.00 1.27 H new ATOM 443 N VAL A 37 -14.578 -10.314 -1.123 1.00 0.99 N ATOM 444 CA VAL A 37 -14.477 -9.101 -1.916 1.00 1.08 C ATOM 445 C VAL A 37 -13.892 -9.393 -3.296 1.00 1.24 C ATOM 446 O VAL A 37 -14.170 -8.680 -4.265 1.00 2.02 O ATOM 447 CB VAL A 37 -13.593 -8.047 -1.216 1.00 0.81 C ATOM 448 CG1 VAL A 37 -13.961 -6.654 -1.660 1.00 0.95 C ATOM 449 CG2 VAL A 37 -13.705 -8.146 0.293 1.00 0.81 C ATOM 0 H VAL A 37 -13.911 -10.367 -0.353 1.00 0.99 H new ATOM 0 HA VAL A 37 -15.488 -8.709 -2.025 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.561 -8.251 -1.502 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.324 -5.930 -1.152 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -13.822 -6.567 -2.738 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -15.004 -6.456 -1.412 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.070 -7.390 0.755 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -14.740 -7.983 0.592 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.385 -9.136 0.617 1.00 0.81 H new ATOM 459 N GLY A 38 -13.062 -10.428 -3.367 1.00 1.18 N ATOM 460 CA GLY A 38 -12.419 -10.798 -4.612 1.00 1.27 C ATOM 461 C GLY A 38 -11.212 -9.929 -4.870 1.00 1.09 C ATOM 462 O GLY A 38 -10.092 -10.419 -5.020 1.00 1.23 O ATOM 0 H GLY A 38 -12.822 -11.023 -2.574 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -12.118 -11.845 -4.574 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -13.126 -10.700 -5.435 1.00 1.27 H new ATOM 466 N ASN A 39 -11.451 -8.632 -4.881 1.00 0.92 N ATOM 467 CA ASN A 39 -10.397 -7.651 -5.074 1.00 0.82 C ATOM 468 C ASN A 39 -10.523 -6.562 -4.022 1.00 0.64 C ATOM 469 O ASN A 39 -11.110 -5.507 -4.269 1.00 0.74 O ATOM 470 CB ASN A 39 -10.450 -7.041 -6.476 1.00 0.99 C ATOM 471 CG ASN A 39 -9.169 -7.285 -7.255 1.00 1.44 C ATOM 472 OD1 ASN A 39 -8.106 -6.787 -6.899 1.00 2.12 O ATOM 473 ND2 ASN A 39 -9.268 -8.050 -8.332 1.00 2.13 N ATOM 0 H ASN A 39 -12.379 -8.228 -4.757 1.00 0.92 H new ATOM 0 HA ASN A 39 -9.435 -8.153 -4.970 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -11.292 -7.464 -7.023 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -10.627 -5.968 -6.398 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -8.442 -8.243 -8.898 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -10.170 -8.446 -8.595 1.00 2.13 H new ATOM 480 N PHE A 40 -9.990 -6.845 -2.835 1.00 0.46 N ATOM 481 CA PHE A 40 -10.038 -5.916 -1.709 1.00 0.32 C ATOM 482 C PHE A 40 -9.496 -4.547 -2.116 1.00 0.28 C ATOM 483 O PHE A 40 -10.085 -3.513 -1.806 1.00 0.52 O ATOM 484 CB PHE A 40 -9.254 -6.496 -0.530 1.00 0.24 C ATOM 485 CG PHE A 40 -9.430 -5.741 0.740 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.695 -5.537 1.246 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.339 -5.232 1.422 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.878 -4.844 2.416 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.512 -4.534 2.594 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.729 -4.346 3.103 1.00 0.33 C ATOM 0 H PHE A 40 -9.514 -7.723 -2.627 1.00 0.46 H new ATOM 0 HA PHE A 40 -11.075 -5.779 -1.402 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.564 -7.529 -0.373 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.195 -6.516 -0.785 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.552 -5.927 0.716 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.344 -5.384 1.031 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.870 -4.679 2.809 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.651 -4.133 3.108 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.847 -3.816 4.037 1.00 0.33 H new ATOM 500 N MET A 41 -8.400 -4.566 -2.845 1.00 0.22 N ATOM 501 CA MET A 41 -7.786 -3.370 -3.360 1.00 0.18 C ATOM 502 C MET A 41 -7.117 -3.714 -4.682 1.00 0.20 C ATOM 503 O MET A 41 -6.209 -4.544 -4.718 1.00 0.24 O ATOM 504 CB MET A 41 -6.768 -2.810 -2.372 1.00 0.17 C ATOM 505 CG MET A 41 -6.495 -1.329 -2.564 1.00 0.21 C ATOM 506 SD MET A 41 -8.016 -0.362 -2.699 1.00 0.28 S ATOM 507 CE MET A 41 -8.148 0.347 -1.060 1.00 0.25 C ATOM 0 H MET A 41 -7.909 -5.424 -3.097 1.00 0.22 H new ATOM 0 HA MET A 41 -8.544 -2.602 -3.512 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.128 -2.977 -1.357 1.00 0.17 H new ATOM 0 HB3 MET A 41 -5.833 -3.361 -2.474 1.00 0.17 H new ATOM 0 HG2 MET A 41 -5.905 -0.959 -1.725 1.00 0.21 H new ATOM 0 HG3 MET A 41 -5.895 -1.186 -3.463 1.00 0.21 H new ATOM 0 HE1 MET A 41 -8.279 1.426 -1.140 1.00 0.25 H new ATOM 0 HE2 MET A 41 -9.005 -0.086 -0.544 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.240 0.133 -0.497 1.00 0.25 H new ATOM 517 N PRO A 42 -7.564 -3.098 -5.788 1.00 0.20 N ATOM 518 CA PRO A 42 -7.003 -3.345 -7.122 1.00 0.24 C ATOM 519 C PRO A 42 -5.507 -3.068 -7.163 1.00 0.21 C ATOM 520 O PRO A 42 -5.020 -2.154 -6.488 1.00 0.20 O ATOM 521 CB PRO A 42 -7.756 -2.359 -8.023 1.00 0.29 C ATOM 522 CG PRO A 42 -9.014 -2.060 -7.281 1.00 0.27 C ATOM 523 CD PRO A 42 -8.653 -2.115 -5.825 1.00 0.23 C ATOM 0 HA PRO A 42 -7.118 -4.384 -7.430 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.173 -1.455 -8.196 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -7.966 -2.795 -9.000 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.403 -1.078 -7.551 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.791 -2.787 -7.519 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.331 -1.143 -5.453 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.498 -2.427 -5.212 1.00 0.23 H new ATOM 531 N ASP A 43 -4.788 -3.877 -7.943 1.00 0.23 N ATOM 532 CA ASP A 43 -3.333 -3.772 -8.088 1.00 0.23 C ATOM 533 C ASP A 43 -2.899 -2.343 -8.387 1.00 0.22 C ATOM 534 O ASP A 43 -1.905 -1.862 -7.839 1.00 0.23 O ATOM 535 CB ASP A 43 -2.857 -4.722 -9.196 1.00 0.29 C ATOM 536 CG ASP A 43 -1.477 -4.382 -9.722 1.00 0.78 C ATOM 537 OD1 ASP A 43 -0.488 -4.574 -8.988 1.00 1.51 O ATOM 538 OD2 ASP A 43 -1.372 -3.946 -10.889 1.00 1.08 O ATOM 0 H ASP A 43 -5.200 -4.629 -8.496 1.00 0.23 H new ATOM 0 HA ASP A 43 -2.874 -4.058 -7.142 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -2.852 -5.743 -8.813 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.570 -4.695 -10.020 1.00 0.29 H new ATOM 543 N SER A 44 -3.650 -1.662 -9.243 1.00 0.23 N ATOM 544 CA SER A 44 -3.338 -0.282 -9.598 1.00 0.25 C ATOM 545 C SER A 44 -3.427 0.639 -8.382 1.00 0.23 C ATOM 546 O SER A 44 -2.565 1.492 -8.182 1.00 0.26 O ATOM 547 CB SER A 44 -4.269 0.203 -10.704 1.00 0.32 C ATOM 548 OG SER A 44 -4.262 -0.709 -11.783 1.00 0.57 O ATOM 0 H SER A 44 -4.477 -2.041 -9.704 1.00 0.23 H new ATOM 0 HA SER A 44 -2.311 -0.253 -9.963 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.282 0.310 -10.316 1.00 0.32 H new ATOM 0 HB3 SER A 44 -3.954 1.188 -11.049 1.00 0.32 H new ATOM 0 HG SER A 44 -4.864 -0.388 -12.486 1.00 0.57 H new ATOM 554 N ILE A 45 -4.458 0.449 -7.564 1.00 0.21 N ATOM 555 CA ILE A 45 -4.634 1.263 -6.368 1.00 0.21 C ATOM 556 C ILE A 45 -3.585 0.895 -5.327 1.00 0.17 C ATOM 557 O ILE A 45 -3.084 1.755 -4.602 1.00 0.18 O ATOM 558 CB ILE A 45 -6.048 1.103 -5.764 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.121 1.359 -6.831 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.232 2.044 -4.577 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.589 2.800 -6.919 1.00 0.34 C ATOM 0 H ILE A 45 -5.180 -0.257 -7.707 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.513 2.306 -6.661 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.158 0.079 -5.408 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -6.729 1.058 -7.802 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -7.981 0.723 -6.623 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.233 1.918 -4.164 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.492 1.812 -3.811 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -6.103 3.075 -4.907 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.346 2.890 -7.698 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -8.015 3.103 -5.962 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.743 3.443 -7.160 1.00 0.34 H new ATOM 573 N LEU A 46 -3.237 -0.385 -5.279 1.00 0.16 N ATOM 574 CA LEU A 46 -2.228 -0.871 -4.346 1.00 0.16 C ATOM 575 C LEU A 46 -0.886 -0.201 -4.635 1.00 0.16 C ATOM 576 O LEU A 46 -0.125 0.095 -3.719 1.00 0.19 O ATOM 577 CB LEU A 46 -2.067 -2.398 -4.453 1.00 0.18 C ATOM 578 CG LEU A 46 -3.233 -3.236 -3.936 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.056 -4.690 -4.340 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.339 -3.132 -2.426 1.00 0.19 C ATOM 0 H LEU A 46 -3.640 -1.107 -5.877 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.555 -0.624 -3.336 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -1.900 -2.652 -5.500 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.169 -2.687 -3.907 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.152 -2.851 -4.379 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -3.895 -5.277 -3.965 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.019 -4.764 -5.427 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.127 -5.074 -3.919 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.176 -3.737 -2.078 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.417 -3.493 -1.971 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.500 -2.092 -2.143 1.00 0.19 H new ATOM 592 N LYS A 47 -0.606 0.026 -5.913 1.00 0.17 N ATOM 593 CA LYS A 47 0.647 0.642 -6.327 1.00 0.19 C ATOM 594 C LYS A 47 0.701 2.131 -5.976 1.00 0.18 C ATOM 595 O LYS A 47 1.716 2.617 -5.469 1.00 0.20 O ATOM 596 CB LYS A 47 0.837 0.462 -7.831 1.00 0.24 C ATOM 597 CG LYS A 47 1.255 -0.943 -8.231 1.00 0.31 C ATOM 598 CD LYS A 47 1.302 -1.094 -9.740 1.00 0.44 C ATOM 599 CE LYS A 47 1.605 -2.520 -10.145 1.00 0.88 C ATOM 600 NZ LYS A 47 1.025 -2.840 -11.473 1.00 0.97 N ATOM 0 H LYS A 47 -1.233 -0.209 -6.682 1.00 0.17 H new ATOM 0 HA LYS A 47 1.452 0.146 -5.785 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.095 0.712 -8.338 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.590 1.169 -8.180 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.235 -1.167 -7.810 1.00 0.31 H new ATOM 0 HG3 LYS A 47 0.555 -1.666 -7.812 1.00 0.31 H new ATOM 0 HD2 LYS A 47 0.347 -0.788 -10.167 1.00 0.44 H new ATOM 0 HD3 LYS A 47 2.062 -0.429 -10.150 1.00 0.44 H new ATOM 0 HE2 LYS A 47 2.684 -2.671 -10.172 1.00 0.88 H new ATOM 0 HE3 LYS A 47 1.206 -3.205 -9.397 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 1.759 -3.255 -12.082 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 0.246 -3.520 -11.357 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 0.662 -1.970 -11.912 1.00 0.97 H new ATOM 614 N LYS A 48 -0.377 2.858 -6.247 1.00 0.17 N ATOM 615 CA LYS A 48 -0.408 4.290 -5.958 1.00 0.18 C ATOM 616 C LYS A 48 -0.476 4.546 -4.457 1.00 0.18 C ATOM 617 O LYS A 48 0.165 5.458 -3.942 1.00 0.20 O ATOM 618 CB LYS A 48 -1.590 4.974 -6.657 1.00 0.20 C ATOM 619 CG LYS A 48 -2.864 4.143 -6.683 1.00 0.31 C ATOM 620 CD LYS A 48 -4.010 4.893 -7.346 1.00 0.32 C ATOM 621 CE LYS A 48 -4.074 4.618 -8.839 1.00 0.45 C ATOM 622 NZ LYS A 48 -4.948 5.594 -9.551 1.00 0.77 N ATOM 0 H LYS A 48 -1.232 2.487 -6.661 1.00 0.17 H new ATOM 0 HA LYS A 48 0.518 4.717 -6.344 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.796 5.920 -6.156 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -1.304 5.212 -7.681 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.680 3.211 -7.218 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -3.145 3.875 -5.664 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.952 4.602 -6.882 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.890 5.963 -7.178 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -3.069 4.659 -9.258 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -4.448 3.608 -9.006 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -5.735 5.088 -10.005 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -5.326 6.283 -8.870 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -4.393 6.093 -10.276 1.00 0.77 H new ATOM 636 N MET A 49 -1.246 3.729 -3.759 1.00 0.17 N ATOM 637 CA MET A 49 -1.392 3.870 -2.319 1.00 0.17 C ATOM 638 C MET A 49 -0.080 3.510 -1.612 1.00 0.17 C ATOM 639 O MET A 49 0.234 4.062 -0.563 1.00 0.19 O ATOM 640 CB MET A 49 -2.572 3.021 -1.818 1.00 0.17 C ATOM 641 CG MET A 49 -2.193 1.889 -0.879 1.00 0.19 C ATOM 642 SD MET A 49 -3.243 1.826 0.573 1.00 1.07 S ATOM 643 CE MET A 49 -4.653 0.946 -0.081 1.00 0.22 C ATOM 0 H MET A 49 -1.780 2.961 -4.165 1.00 0.17 H new ATOM 0 HA MET A 49 -1.614 4.910 -2.080 1.00 0.17 H new ATOM 0 HB2 MET A 49 -3.280 3.674 -1.308 1.00 0.17 H new ATOM 0 HB3 MET A 49 -3.090 2.600 -2.680 1.00 0.17 H new ATOM 0 HG2 MET A 49 -2.258 0.941 -1.413 1.00 0.19 H new ATOM 0 HG3 MET A 49 -1.155 2.010 -0.569 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.450 0.933 0.662 1.00 0.22 H new ATOM 0 HE2 MET A 49 -5.006 1.445 -0.984 1.00 0.22 H new ATOM 0 HE3 MET A 49 -4.364 -0.077 -0.321 1.00 0.22 H new ATOM 653 N ALA A 50 0.685 2.596 -2.202 1.00 0.16 N ATOM 654 CA ALA A 50 1.958 2.184 -1.621 1.00 0.17 C ATOM 655 C ALA A 50 3.040 3.219 -1.893 1.00 0.18 C ATOM 656 O ALA A 50 3.976 3.379 -1.108 1.00 0.22 O ATOM 657 CB ALA A 50 2.376 0.821 -2.161 1.00 0.19 C ATOM 0 H ALA A 50 0.447 2.129 -3.077 1.00 0.16 H new ATOM 0 HA ALA A 50 1.828 2.105 -0.542 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.328 0.530 -1.717 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.616 0.081 -1.909 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.483 0.876 -3.244 1.00 0.19 H new ATOM 663 N ALA A 51 2.916 3.914 -3.015 1.00 0.18 N ATOM 664 CA ALA A 51 3.891 4.920 -3.388 1.00 0.22 C ATOM 665 C ALA A 51 3.609 6.257 -2.723 1.00 0.24 C ATOM 666 O ALA A 51 4.530 6.957 -2.298 1.00 0.30 O ATOM 667 CB ALA A 51 3.918 5.088 -4.896 1.00 0.25 C ATOM 0 H ALA A 51 2.151 3.798 -3.679 1.00 0.18 H new ATOM 0 HA ALA A 51 4.866 4.576 -3.041 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.654 5.846 -5.165 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.186 4.140 -5.363 1.00 0.25 H new ATOM 0 HB3 ALA A 51 2.933 5.399 -5.245 1.00 0.25 H new ATOM 673 N ILE A 52 2.346 6.628 -2.647 1.00 0.24 N ATOM 674 CA ILE A 52 1.991 7.902 -2.052 1.00 0.28 C ATOM 675 C ILE A 52 1.791 7.768 -0.547 1.00 0.26 C ATOM 676 O ILE A 52 2.163 8.663 0.212 1.00 0.31 O ATOM 677 CB ILE A 52 0.709 8.465 -2.715 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.048 9.127 -4.054 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.001 9.456 -1.810 1.00 0.35 C ATOM 680 CD1 ILE A 52 1.311 8.137 -5.168 1.00 0.37 C ATOM 0 H ILE A 52 1.558 6.075 -2.984 1.00 0.24 H new ATOM 0 HA ILE A 52 2.813 8.597 -2.224 1.00 0.28 H new ATOM 0 HB ILE A 52 0.034 7.627 -2.889 1.00 0.31 H new ATOM 0 HG12 ILE A 52 0.226 9.780 -4.346 1.00 0.36 H new ATOM 0 HG13 ILE A 52 1.927 9.759 -3.926 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.893 9.829 -2.309 1.00 0.35 H new ATOM 0 HG22 ILE A 52 -0.281 8.962 -0.880 1.00 0.35 H new ATOM 0 HG23 ILE A 52 0.668 10.289 -1.590 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.544 8.676 -6.086 1.00 0.37 H new ATOM 0 HD12 ILE A 52 2.153 7.500 -4.897 1.00 0.37 H new ATOM 0 HD13 ILE A 52 0.425 7.521 -5.324 1.00 0.37 H new ATOM 692 N LEU A 53 1.216 6.640 -0.130 1.00 0.21 N ATOM 693 CA LEU A 53 0.949 6.359 1.280 1.00 0.21 C ATOM 694 C LEU A 53 0.217 7.532 1.925 1.00 0.23 C ATOM 695 O LEU A 53 0.788 8.282 2.724 1.00 0.27 O ATOM 696 CB LEU A 53 2.247 6.047 2.013 1.00 0.24 C ATOM 697 CG LEU A 53 2.738 4.611 1.851 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.181 4.494 2.306 1.00 0.41 C ATOM 699 CD2 LEU A 53 1.852 3.640 2.620 1.00 0.35 C ATOM 0 H LEU A 53 0.922 5.895 -0.761 1.00 0.21 H new ATOM 0 HA LEU A 53 0.305 5.482 1.350 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.022 6.725 1.656 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.108 6.252 3.074 1.00 0.24 H new ATOM 0 HG LEU A 53 2.683 4.349 0.794 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.518 3.465 2.185 1.00 0.41 H new ATOM 0 HD12 LEU A 53 4.807 5.154 1.705 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.256 4.779 3.355 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.225 2.624 2.487 1.00 0.35 H new ATOM 0 HD22 LEU A 53 1.866 3.896 3.679 1.00 0.35 H new ATOM 0 HD23 LEU A 53 0.831 3.704 2.245 1.00 0.35 H new ATOM 711 N PRO A 54 -1.060 7.721 1.554 1.00 0.24 N ATOM 712 CA PRO A 54 -1.881 8.821 2.057 1.00 0.30 C ATOM 713 C PRO A 54 -2.431 8.563 3.457 1.00 0.40 C ATOM 714 O PRO A 54 -3.096 7.554 3.701 1.00 0.48 O ATOM 715 CB PRO A 54 -3.031 8.916 1.042 1.00 0.36 C ATOM 716 CG PRO A 54 -2.735 7.903 -0.023 1.00 0.25 C ATOM 717 CD PRO A 54 -1.810 6.900 0.600 1.00 0.23 C ATOM 0 HA PRO A 54 -1.298 9.737 2.150 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.989 8.710 1.519 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -3.095 9.918 0.619 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.651 7.425 -0.371 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.272 8.374 -0.890 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -2.355 6.096 1.095 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -1.157 6.435 -0.138 1.00 0.23 H new ATOM 725 N MET A 55 -2.145 9.488 4.366 1.00 0.49 N ATOM 726 CA MET A 55 -2.592 9.382 5.750 1.00 0.64 C ATOM 727 C MET A 55 -4.106 9.556 5.855 1.00 0.72 C ATOM 728 O MET A 55 -4.780 8.783 6.537 1.00 1.02 O ATOM 729 CB MET A 55 -1.882 10.431 6.619 1.00 0.80 C ATOM 730 CG MET A 55 -0.751 9.863 7.459 1.00 1.07 C ATOM 731 SD MET A 55 -1.211 9.661 9.195 1.00 1.66 S ATOM 732 CE MET A 55 -1.767 7.959 9.181 1.00 1.52 C ATOM 0 H MET A 55 -1.601 10.327 4.167 1.00 0.49 H new ATOM 0 HA MET A 55 -2.337 8.385 6.111 1.00 0.64 H new ATOM 0 HB2 MET A 55 -1.486 11.216 5.975 1.00 0.80 H new ATOM 0 HB3 MET A 55 -2.613 10.899 7.278 1.00 0.80 H new ATOM 0 HG2 MET A 55 -0.450 8.898 7.052 1.00 1.07 H new ATOM 0 HG3 MET A 55 0.114 10.522 7.390 1.00 1.07 H new ATOM 0 HE1 MET A 55 -2.088 7.673 10.183 1.00 1.52 H new ATOM 0 HE2 MET A 55 -2.602 7.855 8.489 1.00 1.52 H new ATOM 0 HE3 MET A 55 -0.949 7.312 8.863 1.00 1.52 H new ATOM 742 N ASN A 56 -4.629 10.562 5.168 1.00 0.66 N ATOM 743 CA ASN A 56 -6.058 10.839 5.177 1.00 0.84 C ATOM 744 C ASN A 56 -6.531 11.249 3.788 1.00 0.69 C ATOM 745 O ASN A 56 -5.775 11.168 2.816 1.00 0.59 O ATOM 746 CB ASN A 56 -6.383 11.925 6.202 1.00 1.13 C ATOM 747 CG ASN A 56 -7.261 11.406 7.328 1.00 1.94 C ATOM 748 OD1 ASN A 56 -6.965 10.377 7.937 1.00 2.68 O ATOM 749 ND2 ASN A 56 -8.344 12.111 7.617 1.00 2.34 N ATOM 0 H ASN A 56 -4.081 11.203 4.594 1.00 0.66 H new ATOM 0 HA ASN A 56 -6.586 9.929 5.462 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -5.456 12.319 6.618 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -6.886 12.754 5.704 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -8.966 11.807 8.366 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -8.556 12.958 7.090 1.00 2.34 H new ATOM 756 N ASP A 57 -7.790 11.667 3.701 1.00 0.76 N ATOM 757 CA ASP A 57 -8.392 12.072 2.429 1.00 0.76 C ATOM 758 C ASP A 57 -7.606 13.181 1.740 1.00 0.73 C ATOM 759 O ASP A 57 -7.581 13.248 0.509 1.00 1.11 O ATOM 760 CB ASP A 57 -9.838 12.532 2.630 1.00 0.96 C ATOM 761 CG ASP A 57 -10.594 12.628 1.316 1.00 1.69 C ATOM 762 OD1 ASP A 57 -10.922 11.569 0.736 1.00 1.77 O ATOM 763 OD2 ASP A 57 -10.855 13.755 0.851 1.00 2.68 O ATOM 0 H ASP A 57 -8.419 11.735 4.501 1.00 0.76 H new ATOM 0 HA ASP A 57 -8.371 11.191 1.787 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -10.351 11.835 3.293 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -9.844 13.504 3.123 1.00 0.96 H new ATOM 768 N SER A 58 -6.964 14.039 2.531 1.00 0.67 N ATOM 769 CA SER A 58 -6.173 15.147 1.999 1.00 0.72 C ATOM 770 C SER A 58 -5.152 14.656 0.969 1.00 0.66 C ATOM 771 O SER A 58 -5.080 15.169 -0.148 1.00 0.77 O ATOM 772 CB SER A 58 -5.467 15.864 3.154 1.00 0.87 C ATOM 773 OG SER A 58 -5.782 15.250 4.396 1.00 1.02 O ATOM 0 H SER A 58 -6.977 13.987 3.550 1.00 0.67 H new ATOM 0 HA SER A 58 -6.841 15.843 1.492 1.00 0.72 H new ATOM 0 HB2 SER A 58 -4.389 15.843 2.996 1.00 0.87 H new ATOM 0 HB3 SER A 58 -5.766 16.912 3.175 1.00 0.87 H new ATOM 0 HG SER A 58 -5.320 15.721 5.120 1.00 1.02 H new ATOM 779 N ALA A 59 -4.373 13.653 1.349 1.00 0.58 N ATOM 780 CA ALA A 59 -3.369 13.088 0.463 1.00 0.59 C ATOM 781 C ALA A 59 -4.000 12.121 -0.528 1.00 0.51 C ATOM 782 O ALA A 59 -3.505 11.954 -1.642 1.00 0.59 O ATOM 783 CB ALA A 59 -2.284 12.395 1.265 1.00 0.62 C ATOM 0 H ALA A 59 -4.419 13.214 2.268 1.00 0.58 H new ATOM 0 HA ALA A 59 -2.917 13.903 -0.101 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.540 11.978 0.586 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -1.806 13.115 1.929 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -2.725 11.593 1.857 1.00 0.62 H new ATOM 789 N PHE A 60 -5.085 11.475 -0.106 1.00 0.40 N ATOM 790 CA PHE A 60 -5.802 10.501 -0.931 1.00 0.37 C ATOM 791 C PHE A 60 -6.193 11.070 -2.294 1.00 0.42 C ATOM 792 O PHE A 60 -6.391 10.323 -3.253 1.00 0.46 O ATOM 793 CB PHE A 60 -7.035 9.974 -0.188 1.00 0.33 C ATOM 794 CG PHE A 60 -6.775 8.682 0.521 1.00 0.26 C ATOM 795 CD1 PHE A 60 -6.014 7.703 -0.085 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.277 8.446 1.790 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.759 6.510 0.554 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.026 7.250 2.435 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.260 6.283 1.813 1.00 0.24 C ATOM 0 H PHE A 60 -5.494 11.611 0.819 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.120 9.671 -1.118 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.365 10.720 0.535 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -7.850 9.836 -0.898 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.613 7.875 -1.073 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -7.870 9.204 2.280 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -5.165 5.752 0.065 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -7.427 7.072 3.422 1.00 0.37 H new ATOM 0 HZ PHE A 60 -6.055 5.349 2.316 1.00 0.24 H new ATOM 809 N ALA A 61 -6.313 12.387 -2.373 1.00 0.47 N ATOM 810 CA ALA A 61 -6.675 13.060 -3.616 1.00 0.56 C ATOM 811 C ALA A 61 -5.660 12.779 -4.728 1.00 0.58 C ATOM 812 O ALA A 61 -5.994 12.845 -5.912 1.00 0.64 O ATOM 813 CB ALA A 61 -6.787 14.554 -3.370 1.00 0.67 C ATOM 0 H ALA A 61 -6.164 13.017 -1.585 1.00 0.47 H new ATOM 0 HA ALA A 61 -7.637 12.670 -3.947 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -7.057 15.056 -4.299 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -7.554 14.743 -2.619 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -5.830 14.937 -3.016 1.00 0.67 H new ATOM 819 N THR A 62 -4.423 12.460 -4.351 1.00 0.57 N ATOM 820 CA THR A 62 -3.375 12.176 -5.330 1.00 0.64 C ATOM 821 C THR A 62 -3.490 10.760 -5.896 1.00 0.53 C ATOM 822 O THR A 62 -2.715 10.369 -6.766 1.00 0.57 O ATOM 823 CB THR A 62 -1.965 12.382 -4.739 1.00 0.78 C ATOM 824 OG1 THR A 62 -1.770 11.560 -3.581 1.00 1.03 O ATOM 825 CG2 THR A 62 -1.754 13.841 -4.376 1.00 1.13 C ATOM 0 H THR A 62 -4.123 12.392 -3.379 1.00 0.57 H new ATOM 0 HA THR A 62 -3.520 12.888 -6.143 1.00 0.64 H new ATOM 0 HB THR A 62 -1.236 12.092 -5.496 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.273 11.933 -2.827 1.00 1.03 H new ATOM 0 HG21 THR A 62 -0.755 13.972 -3.960 1.00 1.13 H new ATOM 0 HG22 THR A 62 -1.859 14.457 -5.269 1.00 1.13 H new ATOM 0 HG23 THR A 62 -2.497 14.143 -3.638 1.00 1.13 H new ATOM 833 N LEU A 63 -4.467 10.000 -5.407 1.00 0.44 N ATOM 834 CA LEU A 63 -4.676 8.637 -5.878 1.00 0.40 C ATOM 835 C LEU A 63 -5.482 8.639 -7.167 1.00 0.48 C ATOM 836 O LEU A 63 -5.646 7.604 -7.811 1.00 0.68 O ATOM 837 CB LEU A 63 -5.413 7.799 -4.826 1.00 0.34 C ATOM 838 CG LEU A 63 -4.580 7.314 -3.636 1.00 0.27 C ATOM 839 CD1 LEU A 63 -5.143 6.007 -3.104 1.00 0.28 C ATOM 840 CD2 LEU A 63 -3.117 7.143 -4.014 1.00 0.27 C ATOM 0 H LEU A 63 -5.123 10.305 -4.688 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.696 8.196 -6.060 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -6.246 8.388 -4.442 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.840 6.927 -5.322 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.635 8.072 -2.855 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.544 5.670 -2.258 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -6.173 6.159 -2.781 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -5.117 5.253 -3.890 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.555 6.798 -3.146 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -3.032 6.410 -4.816 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.714 8.098 -4.351 1.00 0.27 H new ATOM 852 N GLY A 64 -5.989 9.804 -7.541 1.00 0.63 N ATOM 853 CA GLY A 64 -6.770 9.906 -8.752 1.00 0.76 C ATOM 854 C GLY A 64 -8.254 9.800 -8.490 1.00 0.91 C ATOM 855 O GLY A 64 -8.966 9.093 -9.201 1.00 1.61 O ATOM 0 H GLY A 64 -5.873 10.678 -7.028 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -6.557 10.857 -9.240 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -6.469 9.119 -9.443 1.00 0.76 H new ATOM 859 N THR A 65 -8.710 10.521 -7.464 1.00 1.22 N ATOM 860 CA THR A 65 -10.116 10.544 -7.061 1.00 1.52 C ATOM 861 C THR A 65 -10.691 9.136 -6.881 1.00 1.28 C ATOM 862 O THR A 65 -11.393 8.620 -7.752 1.00 1.56 O ATOM 863 CB THR A 65 -10.994 11.350 -8.048 1.00 2.09 C ATOM 864 OG1 THR A 65 -10.285 11.626 -9.271 1.00 2.14 O ATOM 865 CG2 THR A 65 -11.440 12.661 -7.413 1.00 2.55 C ATOM 0 H THR A 65 -8.110 11.109 -6.886 1.00 1.22 H new ATOM 0 HA THR A 65 -10.138 11.047 -6.094 1.00 1.52 H new ATOM 0 HB THR A 65 -11.869 10.744 -8.283 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.864 12.135 -9.877 1.00 2.14 H new ATOM 0 HG21 THR A 65 -12.057 13.216 -8.120 1.00 2.55 H new ATOM 0 HG22 THR A 65 -12.019 12.451 -6.513 1.00 2.55 H new ATOM 0 HG23 THR A 65 -10.564 13.255 -7.151 1.00 2.55 H new ATOM 873 N VAL A 66 -10.396 8.526 -5.735 1.00 0.89 N ATOM 874 CA VAL A 66 -10.895 7.188 -5.442 1.00 0.69 C ATOM 875 C VAL A 66 -12.400 7.224 -5.179 1.00 0.68 C ATOM 876 O VAL A 66 -12.929 8.214 -4.663 1.00 0.72 O ATOM 877 CB VAL A 66 -10.198 6.551 -4.216 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.858 5.950 -4.593 1.00 0.58 C ATOM 879 CG2 VAL A 66 -10.030 7.567 -3.100 1.00 0.58 C ATOM 0 H VAL A 66 -9.818 8.935 -5.000 1.00 0.89 H new ATOM 0 HA VAL A 66 -10.674 6.579 -6.319 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.838 5.746 -3.856 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -8.395 5.511 -3.709 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.005 5.177 -5.348 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -8.209 6.729 -4.993 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.538 7.095 -2.250 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -9.423 8.400 -3.455 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -11.009 7.936 -2.794 1.00 0.58 H new ATOM 889 N GLU A 67 -13.081 6.143 -5.534 1.00 0.72 N ATOM 890 CA GLU A 67 -14.520 6.040 -5.334 1.00 0.79 C ATOM 891 C GLU A 67 -14.844 5.874 -3.851 1.00 0.63 C ATOM 892 O GLU A 67 -14.028 5.352 -3.083 1.00 0.49 O ATOM 893 CB GLU A 67 -15.073 4.848 -6.113 1.00 0.94 C ATOM 894 CG GLU A 67 -15.585 5.191 -7.499 1.00 1.19 C ATOM 895 CD GLU A 67 -15.180 4.156 -8.526 1.00 1.70 C ATOM 896 OE1 GLU A 67 -14.826 3.026 -8.137 1.00 2.42 O ATOM 897 OE2 GLU A 67 -15.209 4.468 -9.735 1.00 2.16 O ATOM 0 H GLU A 67 -12.657 5.321 -5.964 1.00 0.72 H new ATOM 0 HA GLU A 67 -14.984 6.957 -5.697 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -14.291 4.094 -6.204 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -15.884 4.399 -5.540 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -16.672 5.271 -7.474 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -15.200 6.166 -7.796 1.00 1.19 H new ATOM 904 N ASP A 68 -16.034 6.317 -3.456 1.00 0.71 N ATOM 905 CA ASP A 68 -16.482 6.221 -2.065 1.00 0.67 C ATOM 906 C ASP A 68 -16.503 4.767 -1.611 1.00 0.54 C ATOM 907 O ASP A 68 -16.206 4.465 -0.457 1.00 0.55 O ATOM 908 CB ASP A 68 -17.867 6.856 -1.887 1.00 0.85 C ATOM 909 CG ASP A 68 -18.257 7.006 -0.427 1.00 1.26 C ATOM 910 OD1 ASP A 68 -17.639 7.827 0.286 1.00 1.72 O ATOM 911 OD2 ASP A 68 -19.191 6.309 0.019 1.00 1.61 O ATOM 0 H ASP A 68 -16.712 6.750 -4.083 1.00 0.71 H new ATOM 0 HA ASP A 68 -15.775 6.771 -1.444 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -17.878 7.836 -2.365 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.611 6.245 -2.397 1.00 0.85 H new ATOM 916 N LYS A 69 -16.826 3.862 -2.532 1.00 0.55 N ATOM 917 CA LYS A 69 -16.857 2.435 -2.222 1.00 0.58 C ATOM 918 C LYS A 69 -15.466 1.936 -1.812 1.00 0.51 C ATOM 919 O LYS A 69 -15.337 1.008 -1.015 1.00 0.60 O ATOM 920 CB LYS A 69 -17.368 1.636 -3.425 1.00 0.71 C ATOM 921 CG LYS A 69 -16.574 1.878 -4.700 1.00 0.82 C ATOM 922 CD LYS A 69 -17.445 1.743 -5.939 1.00 1.15 C ATOM 923 CE LYS A 69 -16.991 0.583 -6.807 1.00 1.53 C ATOM 924 NZ LYS A 69 -16.573 1.023 -8.170 1.00 1.97 N ATOM 0 H LYS A 69 -17.069 4.090 -3.496 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.539 2.286 -1.385 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.337 0.573 -3.184 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -18.412 1.892 -3.603 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -16.134 2.875 -4.671 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -15.749 1.167 -4.756 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -18.483 1.594 -5.642 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -17.408 2.668 -6.515 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -16.159 0.073 -6.321 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -17.801 -0.141 -6.894 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -16.451 0.191 -8.781 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -17.303 1.645 -8.573 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -15.673 1.541 -8.107 1.00 1.97 H new ATOM 938 N TYR A 70 -14.425 2.578 -2.338 1.00 0.43 N ATOM 939 CA TYR A 70 -13.056 2.216 -2.000 1.00 0.39 C ATOM 940 C TYR A 70 -12.627 3.002 -0.781 1.00 0.33 C ATOM 941 O TYR A 70 -11.868 2.525 0.051 1.00 0.34 O ATOM 942 CB TYR A 70 -12.099 2.507 -3.165 1.00 0.47 C ATOM 943 CG TYR A 70 -12.239 1.536 -4.308 1.00 0.60 C ATOM 944 CD1 TYR A 70 -11.554 0.331 -4.309 1.00 1.05 C ATOM 945 CD2 TYR A 70 -13.056 1.827 -5.390 1.00 1.18 C ATOM 946 CE1 TYR A 70 -11.675 -0.554 -5.360 1.00 1.16 C ATOM 947 CE2 TYR A 70 -13.181 0.947 -6.444 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.506 -0.262 -6.403 1.00 0.94 C ATOM 949 OH TYR A 70 -12.610 -1.126 -7.466 1.00 1.11 O ATOM 0 H TYR A 70 -14.506 3.350 -2.999 1.00 0.43 H new ATOM 0 HA TYR A 70 -13.019 1.146 -1.793 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.281 3.517 -3.531 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -11.073 2.480 -2.798 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -10.916 0.081 -3.474 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -13.603 2.758 -5.407 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -11.113 -1.476 -5.358 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -13.799 1.198 -7.293 1.00 1.29 H new ATOM 0 HH TYR A 70 -13.245 -0.766 -8.119 1.00 1.11 H new ATOM 959 N ARG A 71 -13.147 4.211 -0.698 1.00 0.37 N ATOM 960 CA ARG A 71 -12.865 5.120 0.399 1.00 0.46 C ATOM 961 C ARG A 71 -13.367 4.568 1.724 1.00 0.52 C ATOM 962 O ARG A 71 -12.744 4.767 2.763 1.00 0.59 O ATOM 963 CB ARG A 71 -13.526 6.467 0.131 1.00 0.60 C ATOM 964 CG ARG A 71 -12.572 7.519 -0.392 1.00 0.81 C ATOM 965 CD ARG A 71 -12.407 8.659 0.600 1.00 0.97 C ATOM 966 NE ARG A 71 -13.025 9.898 0.137 1.00 1.39 N ATOM 967 CZ ARG A 71 -14.310 10.214 0.329 1.00 1.96 C ATOM 968 NH1 ARG A 71 -15.105 9.400 0.999 1.00 2.55 N ATOM 969 NH2 ARG A 71 -14.801 11.350 -0.157 1.00 2.53 N ATOM 0 H ARG A 71 -13.784 4.595 -1.396 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.784 5.239 0.467 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -14.332 6.329 -0.590 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -13.981 6.828 1.053 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -11.601 7.065 -0.592 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -12.943 7.910 -1.340 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -12.848 8.372 1.555 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -11.345 8.831 0.778 1.00 0.97 H new ATOM 0 HE ARG A 71 -12.439 10.565 -0.365 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -14.740 8.524 1.374 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -16.084 9.647 1.142 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -14.197 11.985 -0.679 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -15.782 11.587 -0.008 1.00 2.53 H new ATOM 983 N ARG A 72 -14.510 3.902 1.688 1.00 0.57 N ATOM 984 CA ARG A 72 -15.107 3.356 2.856 1.00 0.72 C ATOM 985 C ARG A 72 -14.377 2.111 3.344 1.00 0.68 C ATOM 986 O ARG A 72 -14.203 1.931 4.539 1.00 0.82 O ATOM 987 CB ARG A 72 -16.547 3.024 2.548 1.00 0.87 C ATOM 988 CG ARG A 72 -17.237 2.448 3.738 1.00 1.22 C ATOM 989 CD ARG A 72 -17.531 0.976 3.553 1.00 1.78 C ATOM 990 NE ARG A 72 -17.528 0.262 4.830 1.00 2.63 N ATOM 991 CZ ARG A 72 -17.145 -1.004 4.977 1.00 3.47 C ATOM 992 NH1 ARG A 72 -16.810 -1.733 3.919 1.00 3.77 N ATOM 993 NH2 ARG A 72 -17.133 -1.555 6.183 1.00 4.38 N ATOM 0 H ARG A 72 -15.039 3.734 0.832 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.045 4.095 3.655 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -17.068 3.924 2.223 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.590 2.315 1.721 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -16.615 2.587 4.622 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -18.168 2.986 3.915 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -18.501 0.856 3.071 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -16.788 0.537 2.888 1.00 1.78 H new ATOM 0 HE ARG A 72 -17.839 0.766 5.660 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -16.845 -1.323 2.986 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -16.517 -2.703 4.040 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -17.417 -1.009 6.996 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -16.840 -2.525 6.298 1.00 4.38 H new ATOM 1007 N ARG A 73 -13.956 1.248 2.428 1.00 0.63 N ATOM 1008 CA ARG A 73 -13.252 0.022 2.818 1.00 0.70 C ATOM 1009 C ARG A 73 -11.765 0.320 3.021 1.00 0.53 C ATOM 1010 O ARG A 73 -10.980 -0.547 3.408 1.00 0.59 O ATOM 1011 CB ARG A 73 -13.497 -1.110 1.794 1.00 0.88 C ATOM 1012 CG ARG A 73 -12.295 -1.505 0.943 1.00 0.59 C ATOM 1013 CD ARG A 73 -12.302 -0.767 -0.376 1.00 0.71 C ATOM 1014 NE ARG A 73 -13.516 -1.043 -1.162 1.00 1.08 N ATOM 1015 CZ ARG A 73 -13.604 -1.963 -2.133 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -12.539 -2.675 -2.490 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -14.758 -2.168 -2.748 1.00 1.44 N ATOM 0 H ARG A 73 -14.085 1.366 1.423 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.650 -0.334 3.768 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -13.843 -1.992 2.332 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -14.305 -0.804 1.129 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.374 -1.284 1.483 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -12.309 -2.580 0.763 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -12.227 0.305 -0.191 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -11.424 -1.053 -0.955 1.00 0.71 H new ATOM 0 HE ARG A 73 -14.350 -0.495 -0.953 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -11.645 -2.523 -2.024 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -12.617 -3.373 -3.230 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -15.580 -1.626 -2.483 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -14.825 -2.868 -3.487 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.409 1.575 2.776 1.00 0.36 N ATOM 1032 CA PHE A 74 -10.033 2.053 2.938 1.00 0.26 C ATOM 1033 C PHE A 74 -9.562 1.897 4.385 1.00 0.22 C ATOM 1034 O PHE A 74 -8.392 1.621 4.648 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.936 3.528 2.531 1.00 0.27 C ATOM 1036 CG PHE A 74 -9.016 3.767 1.368 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.829 3.068 1.268 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.345 4.676 0.372 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.980 3.267 0.199 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.500 4.879 -0.704 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.313 4.170 -0.790 1.00 0.30 C ATOM 0 H PHE A 74 -12.061 2.292 2.460 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.392 1.450 2.295 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.931 3.894 2.278 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.589 4.111 3.385 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.562 2.357 2.036 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.270 5.230 0.438 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -6.054 2.715 0.136 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.765 5.588 -1.475 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.650 4.324 -1.629 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.490 2.098 5.314 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.216 2.012 6.748 1.00 0.30 C ATOM 1053 C LYS A 75 -9.591 0.675 7.160 1.00 0.28 C ATOM 1054 O LYS A 75 -8.924 0.595 8.193 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.505 2.236 7.533 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.726 1.565 6.916 1.00 0.37 C ATOM 1057 CD LYS A 75 -13.325 0.509 7.833 1.00 0.82 C ATOM 1058 CE LYS A 75 -14.553 1.033 8.552 1.00 1.28 C ATOM 1059 NZ LYS A 75 -14.793 0.310 9.828 1.00 1.72 N ATOM 0 H LYS A 75 -11.460 2.327 5.095 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.488 2.790 6.978 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.371 1.862 8.548 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -11.691 3.307 7.610 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -13.480 2.320 6.693 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.446 1.105 5.969 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -13.591 -0.373 7.250 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -12.580 0.195 8.564 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -14.430 2.097 8.754 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -15.425 0.930 7.906 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -15.641 0.696 10.291 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -14.935 -0.702 9.632 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -13.971 0.429 10.454 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.797 -0.373 6.362 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.233 -1.687 6.673 1.00 0.22 C ATOM 1075 C TYR A 76 -7.730 -1.710 6.399 1.00 0.20 C ATOM 1076 O TYR A 76 -7.039 -2.662 6.759 1.00 0.23 O ATOM 1077 CB TYR A 76 -9.909 -2.785 5.852 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.380 -2.983 6.142 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -11.801 -3.423 7.388 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.344 -2.708 5.182 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -13.140 -3.590 7.673 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.687 -2.870 5.458 1.00 0.61 C ATOM 1083 CZ TYR A 76 -14.082 -3.378 6.642 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.415 -3.477 6.992 1.00 0.99 O ATOM 0 H TYR A 76 -10.345 -0.339 5.503 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.411 -1.875 7.732 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -9.790 -2.552 4.794 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.388 -3.726 6.032 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -11.066 -3.639 8.150 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.039 -2.362 4.205 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -13.461 -3.877 8.663 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.425 -2.588 4.721 1.00 0.61 H new ATOM 0 HH TYR A 76 -15.528 -3.213 7.929 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.234 -0.656 5.764 1.00 0.18 N ATOM 1095 CA PHE A 77 -5.816 -0.538 5.437 1.00 0.21 C ATOM 1096 C PHE A 77 -5.172 0.577 6.251 1.00 0.24 C ATOM 1097 O PHE A 77 -3.957 0.732 6.248 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.637 -0.223 3.950 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.514 -1.429 3.056 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.641 -2.464 3.362 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.269 -1.519 1.897 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.522 -3.561 2.526 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -6.146 -2.608 1.055 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.279 -3.633 1.372 1.00 0.24 C ATOM 0 H PHE A 77 -7.798 0.138 5.462 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.337 -1.488 5.673 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.485 0.374 3.615 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -4.746 0.393 3.829 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.048 -2.413 4.263 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -6.962 -0.728 1.649 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.839 -4.359 2.775 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.730 -2.657 0.148 1.00 0.26 H new ATOM 0 HZ PHE A 77 -5.192 -4.490 0.720 1.00 0.24 H new ATOM 1114 N LYS A 78 -6.011 1.377 6.901 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.563 2.531 7.689 1.00 0.34 C ATOM 1116 C LYS A 78 -4.396 2.226 8.637 1.00 0.37 C ATOM 1117 O LYS A 78 -3.514 3.068 8.824 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.733 3.097 8.495 1.00 0.43 C ATOM 1119 CG LYS A 78 -6.847 4.614 8.430 1.00 0.68 C ATOM 1120 CD LYS A 78 -7.727 5.069 7.278 1.00 0.82 C ATOM 1121 CE LYS A 78 -7.485 6.534 6.940 1.00 0.98 C ATOM 1122 NZ LYS A 78 -7.747 7.428 8.099 1.00 1.37 N ATOM 0 H LYS A 78 -7.023 1.247 6.899 1.00 0.27 H new ATOM 0 HA LYS A 78 -5.196 3.261 6.968 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.661 2.656 8.130 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.625 2.794 9.537 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -7.256 4.987 9.369 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -5.853 5.048 8.321 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -7.528 4.454 6.401 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -8.775 4.922 7.539 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -6.455 6.663 6.609 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -8.126 6.824 6.107 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -7.505 8.407 7.844 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -8.753 7.376 8.357 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -7.166 7.127 8.908 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.379 1.040 9.232 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.301 0.679 10.150 1.00 0.46 C ATOM 1138 C ALA A 79 -2.045 0.294 9.384 1.00 0.41 C ATOM 1139 O ALA A 79 -0.924 0.564 9.820 1.00 0.49 O ATOM 1140 CB ALA A 79 -3.741 -0.460 11.060 1.00 0.56 C ATOM 0 H ALA A 79 -5.088 0.319 9.100 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.070 1.548 10.766 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -2.928 -0.718 11.738 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -4.611 -0.148 11.638 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -3.999 -1.330 10.456 1.00 0.56 H new ATOM 1146 N THR A 80 -2.248 -0.326 8.234 1.00 0.31 N ATOM 1147 CA THR A 80 -1.157 -0.758 7.381 1.00 0.30 C ATOM 1148 C THR A 80 -0.495 0.427 6.684 1.00 0.24 C ATOM 1149 O THR A 80 0.736 0.536 6.661 1.00 0.27 O ATOM 1150 CB THR A 80 -1.683 -1.761 6.340 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.984 -2.213 6.736 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.752 -2.956 6.212 1.00 0.46 C ATOM 0 H THR A 80 -3.174 -0.543 7.866 1.00 0.31 H new ATOM 0 HA THR A 80 -0.403 -1.240 8.004 1.00 0.30 H new ATOM 0 HB THR A 80 -1.735 -1.261 5.373 1.00 0.36 H new ATOM 0 HG1 THR A 80 -2.896 -3.011 7.299 1.00 0.53 H new ATOM 0 HG21 THR A 80 -1.149 -3.648 5.469 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.236 -2.616 5.900 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.674 -3.462 7.175 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.314 1.319 6.131 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.811 2.506 5.441 1.00 0.24 C ATOM 1162 C ILE A 81 0.021 3.359 6.395 1.00 0.28 C ATOM 1163 O ILE A 81 1.012 3.969 5.996 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.963 3.358 4.852 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.896 2.487 4.019 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.422 4.490 3.992 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -4.260 3.105 3.796 1.00 0.55 C ATOM 0 H ILE A 81 -2.331 1.242 6.147 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.186 2.164 4.616 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.518 3.788 5.686 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -2.432 2.292 3.052 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -3.019 1.523 4.514 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.252 5.072 3.592 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.786 5.135 4.598 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.839 4.075 3.169 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.871 2.431 3.196 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.744 3.275 4.758 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -4.148 4.055 3.274 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.380 3.383 7.662 1.00 0.31 N ATOM 1180 CA ALA A 82 0.330 4.150 8.683 1.00 0.39 C ATOM 1181 C ALA A 82 1.628 3.460 9.105 1.00 0.41 C ATOM 1182 O ALA A 82 2.634 4.120 9.361 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.559 4.382 9.894 1.00 0.46 C ATOM 0 H ALA A 82 -1.196 2.878 8.008 1.00 0.31 H new ATOM 0 HA ALA A 82 0.590 5.114 8.245 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.012 4.955 10.643 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.448 4.936 9.592 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -0.856 3.422 10.317 1.00 0.46 H new ATOM 1189 N ASP A 83 1.598 2.133 9.172 1.00 0.37 N ATOM 1190 CA ASP A 83 2.777 1.352 9.559 1.00 0.42 C ATOM 1191 C ASP A 83 3.843 1.402 8.464 1.00 0.39 C ATOM 1192 O ASP A 83 5.037 1.502 8.747 1.00 0.46 O ATOM 1193 CB ASP A 83 2.378 -0.108 9.833 1.00 0.47 C ATOM 1194 CG ASP A 83 3.569 -1.059 9.844 1.00 0.80 C ATOM 1195 OD1 ASP A 83 4.307 -1.087 10.851 1.00 1.37 O ATOM 1196 OD2 ASP A 83 3.766 -1.790 8.848 1.00 1.40 O ATOM 0 H ASP A 83 0.772 1.572 8.964 1.00 0.37 H new ATOM 0 HA ASP A 83 3.192 1.787 10.468 1.00 0.42 H new ATOM 0 HB2 ASP A 83 1.866 -0.165 10.794 1.00 0.47 H new ATOM 0 HB3 ASP A 83 1.667 -0.433 9.073 1.00 0.47 H new ATOM 1201 N LEU A 84 3.415 1.321 7.214 1.00 0.32 N ATOM 1202 CA LEU A 84 4.348 1.336 6.099 1.00 0.31 C ATOM 1203 C LEU A 84 4.894 2.730 5.800 1.00 0.35 C ATOM 1204 O LEU A 84 6.016 2.862 5.336 1.00 0.42 O ATOM 1205 CB LEU A 84 3.680 0.766 4.858 1.00 0.29 C ATOM 1206 CG LEU A 84 3.221 -0.687 4.990 1.00 0.36 C ATOM 1207 CD1 LEU A 84 2.068 -0.966 4.041 1.00 0.40 C ATOM 1208 CD2 LEU A 84 4.380 -1.633 4.721 1.00 0.48 C ATOM 0 H LEU A 84 2.433 1.245 6.947 1.00 0.32 H new ATOM 0 HA LEU A 84 5.197 0.716 6.387 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.817 1.384 4.610 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.375 0.839 4.022 1.00 0.29 H new ATOM 0 HG LEU A 84 2.872 -0.852 6.009 1.00 0.36 H new ATOM 0 HD11 LEU A 84 1.753 -2.004 4.147 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.233 -0.307 4.279 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.390 -0.787 3.015 1.00 0.40 H new ATOM 0 HD21 LEU A 84 4.039 -2.664 4.818 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.756 -1.469 3.711 1.00 0.48 H new ATOM 0 HD23 LEU A 84 5.177 -1.445 5.440 1.00 0.48 H new ATOM 1220 N SER A 85 4.118 3.773 6.067 1.00 0.37 N ATOM 1221 CA SER A 85 4.581 5.135 5.802 1.00 0.50 C ATOM 1222 C SER A 85 5.665 5.561 6.794 1.00 0.61 C ATOM 1223 O SER A 85 6.496 6.413 6.487 1.00 0.73 O ATOM 1224 CB SER A 85 3.418 6.126 5.858 1.00 0.57 C ATOM 1225 OG SER A 85 2.559 5.847 6.949 1.00 1.37 O ATOM 0 H SER A 85 3.179 3.708 6.461 1.00 0.37 H new ATOM 0 HA SER A 85 5.008 5.140 4.799 1.00 0.50 H new ATOM 0 HB2 SER A 85 3.806 7.141 5.947 1.00 0.57 H new ATOM 0 HB3 SER A 85 2.853 6.081 4.927 1.00 0.57 H new ATOM 0 HG SER A 85 1.905 5.167 6.685 1.00 1.37 H new ATOM 1231 N LYS A 86 5.639 4.978 7.989 1.00 0.60 N ATOM 1232 CA LYS A 86 6.603 5.319 9.030 1.00 0.74 C ATOM 1233 C LYS A 86 7.874 4.479 8.934 1.00 0.78 C ATOM 1234 O LYS A 86 8.918 4.870 9.450 1.00 0.98 O ATOM 1235 CB LYS A 86 5.974 5.120 10.413 1.00 0.75 C ATOM 1236 CG LYS A 86 5.584 6.410 11.106 1.00 1.29 C ATOM 1237 CD LYS A 86 4.917 6.133 12.443 1.00 1.79 C ATOM 1238 CE LYS A 86 5.242 7.210 13.469 1.00 2.34 C ATOM 1239 NZ LYS A 86 6.017 6.669 14.619 1.00 3.07 N ATOM 0 H LYS A 86 4.960 4.267 8.260 1.00 0.60 H new ATOM 0 HA LYS A 86 6.876 6.364 8.886 1.00 0.74 H new ATOM 0 HB2 LYS A 86 5.088 4.493 10.311 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.677 4.578 11.046 1.00 0.75 H new ATOM 0 HG2 LYS A 86 6.470 7.026 11.259 1.00 1.29 H new ATOM 0 HG3 LYS A 86 4.906 6.978 10.469 1.00 1.29 H new ATOM 0 HD2 LYS A 86 3.837 6.075 12.306 1.00 1.79 H new ATOM 0 HD3 LYS A 86 5.243 5.163 12.818 1.00 1.79 H new ATOM 0 HE2 LYS A 86 5.812 8.006 12.990 1.00 2.34 H new ATOM 0 HE3 LYS A 86 4.316 7.655 13.833 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 6.217 7.435 15.294 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 5.463 5.927 15.092 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 6.913 6.267 14.276 1.00 3.07 H new ATOM 1253 N LYS A 87 7.786 3.308 8.312 1.00 0.75 N ATOM 1254 CA LYS A 87 8.949 2.433 8.222 1.00 0.86 C ATOM 1255 C LYS A 87 9.559 2.375 6.824 1.00 0.93 C ATOM 1256 O LYS A 87 10.718 1.992 6.675 1.00 1.11 O ATOM 1257 CB LYS A 87 8.589 1.034 8.708 1.00 0.91 C ATOM 1258 CG LYS A 87 7.884 1.032 10.054 1.00 1.01 C ATOM 1259 CD LYS A 87 8.823 0.644 11.193 1.00 1.35 C ATOM 1260 CE LYS A 87 10.173 1.339 11.092 1.00 2.18 C ATOM 1261 NZ LYS A 87 10.498 2.131 12.313 1.00 2.78 N ATOM 0 H LYS A 87 6.940 2.948 7.871 1.00 0.75 H new ATOM 0 HA LYS A 87 9.715 2.863 8.868 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.949 0.553 7.969 1.00 0.91 H new ATOM 0 HB3 LYS A 87 9.498 0.436 8.780 1.00 0.91 H new ATOM 0 HG2 LYS A 87 7.470 2.022 10.247 1.00 1.01 H new ATOM 0 HG3 LYS A 87 7.046 0.336 10.023 1.00 1.01 H new ATOM 0 HD2 LYS A 87 8.358 0.896 12.146 1.00 1.35 H new ATOM 0 HD3 LYS A 87 8.972 -0.436 11.186 1.00 1.35 H new ATOM 0 HE2 LYS A 87 10.951 0.593 10.928 1.00 2.18 H new ATOM 0 HE3 LYS A 87 10.175 1.998 10.224 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 11.426 2.585 12.196 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 9.771 2.861 12.457 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 10.523 1.500 13.139 1.00 2.78 H new