USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 532 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 25 THR OG1 : rot 75:sc= -0.727! USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.922 K(o=0.2,f=-8.6!) USER MOD Set 2.1: A 4 TYR OH : rot 44:sc= 1.28 USER MOD Set 2.2: A 70 ASN : amide:sc= -4.03 K(o=-2.7,f=-8.6!) USER MOD Single : A 8 THR OG1 : rot -121:sc= -3.38! USER MOD Single : A 12 ASN : amide:sc=0.000738 X(o=0.00074,f=-0.0086) USER MOD Single : A 20 SER OG : rot -120:sc= -0.265 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00777 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.232 F(o=-3.2!,f=-0.23) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -99:sc= -1.85! USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.211 F(o=-1.3,f=-0.21) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 115:sc= -0.264 USER MOD Single : A 76 ASN : amide:sc= -0.0663 K(o=-0.066,f=-1.5!) USER MOD Single : A 77 TYR OH : rot -127:sc= 0.161! USER MOD ----------------------------------------------------------------- ATOM 46 N TYR A 4 4.838 -7.148 -5.053 1.00 0.73 N ATOM 47 CA TYR A 4 4.428 -5.827 -5.453 1.00 0.56 C ATOM 48 C TYR A 4 3.162 -5.509 -4.681 1.00 0.48 C ATOM 49 O TYR A 4 2.693 -6.351 -3.921 1.00 0.54 O ATOM 50 CB TYR A 4 4.201 -5.782 -6.967 1.00 0.66 C ATOM 51 CG TYR A 4 3.066 -6.653 -7.433 1.00 0.57 C ATOM 52 CD1 TYR A 4 1.770 -6.178 -7.404 1.00 0.51 C ATOM 53 CD2 TYR A 4 3.286 -7.946 -7.883 1.00 0.78 C ATOM 54 CE1 TYR A 4 0.716 -6.958 -7.804 1.00 0.60 C ATOM 55 CE2 TYR A 4 2.236 -8.742 -8.293 1.00 1.00 C ATOM 56 CZ TYR A 4 0.950 -8.246 -8.251 1.00 0.90 C ATOM 57 OH TYR A 4 -0.098 -9.044 -8.647 1.00 1.17 O ATOM 0 HA TYR A 4 5.194 -5.083 -5.232 1.00 0.56 H new ATOM 0 HB2 TYR A 4 4.004 -4.752 -7.266 1.00 0.66 H new ATOM 0 HB3 TYR A 4 5.116 -6.091 -7.472 1.00 0.66 H new ATOM 0 HD1 TYR A 4 1.583 -5.172 -7.059 1.00 0.51 H new ATOM 0 HD2 TYR A 4 4.293 -8.335 -7.913 1.00 0.78 H new ATOM 0 HE1 TYR A 4 -0.291 -6.569 -7.770 1.00 0.60 H new ATOM 0 HE2 TYR A 4 2.420 -9.747 -8.644 1.00 1.00 H new ATOM 0 HH TYR A 4 -0.710 -8.525 -9.210 1.00 1.17 H new ATOM 67 N ILE A 5 2.634 -4.311 -4.824 1.00 0.41 N ATOM 68 CA ILE A 5 1.485 -3.906 -4.035 1.00 0.37 C ATOM 69 C ILE A 5 0.369 -3.362 -4.912 1.00 0.31 C ATOM 70 O ILE A 5 0.603 -3.008 -6.069 1.00 0.33 O ATOM 71 CB ILE A 5 1.850 -2.832 -3.013 1.00 0.42 C ATOM 72 CG1 ILE A 5 2.089 -1.487 -3.714 1.00 0.49 C ATOM 73 CG2 ILE A 5 3.069 -3.245 -2.196 1.00 0.51 C ATOM 74 CD1 ILE A 5 2.442 -0.356 -2.776 1.00 1.00 C ATOM 0 H ILE A 5 2.978 -3.604 -5.474 1.00 0.41 H new ATOM 0 HA ILE A 5 1.145 -4.803 -3.518 1.00 0.37 H new ATOM 0 HB ILE A 5 1.013 -2.717 -2.324 1.00 0.42 H new ATOM 0 HG12 ILE A 5 2.893 -1.606 -4.441 1.00 0.49 H new ATOM 0 HG13 ILE A 5 1.193 -1.216 -4.272 1.00 0.49 H new ATOM 0 HG21 ILE A 5 3.307 -2.462 -1.476 1.00 0.51 H new ATOM 0 HG22 ILE A 5 2.854 -4.173 -1.665 1.00 0.51 H new ATOM 0 HG23 ILE A 5 3.919 -3.396 -2.862 1.00 0.51 H new ATOM 0 HD11 ILE A 5 2.595 0.558 -3.350 1.00 1.00 H new ATOM 0 HD12 ILE A 5 1.630 -0.206 -2.064 1.00 1.00 H new ATOM 0 HD13 ILE A 5 3.356 -0.603 -2.236 1.00 1.00 H new ATOM 86 N ARG A 6 -0.854 -3.317 -4.383 1.00 0.30 N ATOM 87 CA ARG A 6 -1.924 -2.652 -5.077 1.00 0.32 C ATOM 88 C ARG A 6 -2.457 -1.516 -4.206 1.00 0.31 C ATOM 89 O ARG A 6 -2.744 -1.709 -3.033 1.00 0.31 O ATOM 90 CB ARG A 6 -3.006 -3.685 -5.383 1.00 0.39 C ATOM 91 CG ARG A 6 -4.325 -3.145 -5.814 1.00 0.81 C ATOM 92 CD ARG A 6 -5.030 -4.278 -6.484 1.00 0.61 C ATOM 93 NE ARG A 6 -5.960 -3.849 -7.499 1.00 1.13 N ATOM 94 CZ ARG A 6 -7.098 -4.485 -7.778 1.00 1.78 C ATOM 95 NH1 ARG A 6 -7.460 -5.536 -7.052 1.00 2.03 N ATOM 96 NH2 ARG A 6 -7.863 -4.080 -8.783 1.00 2.73 N ATOM 0 H ARG A 6 -1.113 -3.731 -3.488 1.00 0.30 H new ATOM 0 HA ARG A 6 -1.579 -2.217 -6.015 1.00 0.32 H new ATOM 0 HB2 ARG A 6 -2.635 -4.349 -6.164 1.00 0.39 H new ATOM 0 HB3 ARG A 6 -3.159 -4.295 -4.493 1.00 0.39 H new ATOM 0 HG2 ARG A 6 -4.896 -2.780 -4.960 1.00 0.81 H new ATOM 0 HG3 ARG A 6 -4.199 -2.305 -6.497 1.00 0.81 H new ATOM 0 HD2 ARG A 6 -4.292 -4.941 -6.934 1.00 0.61 H new ATOM 0 HD3 ARG A 6 -5.565 -4.859 -5.733 1.00 0.61 H new ATOM 0 HE ARG A 6 -5.734 -3.011 -8.034 1.00 1.13 H new ATOM 0 HH11 ARG A 6 -6.868 -5.854 -6.284 1.00 2.03 H new ATOM 0 HH12 ARG A 6 -8.330 -6.026 -7.262 1.00 2.03 H new ATOM 0 HH21 ARG A 6 -7.582 -3.278 -9.347 1.00 2.73 H new ATOM 0 HH22 ARG A 6 -8.733 -4.571 -8.992 1.00 2.73 H new ATOM 110 N VAL A 7 -2.619 -0.337 -4.785 1.00 0.34 N ATOM 111 CA VAL A 7 -2.991 0.832 -3.998 1.00 0.38 C ATOM 112 C VAL A 7 -4.046 1.660 -4.696 1.00 0.38 C ATOM 113 O VAL A 7 -4.065 1.750 -5.913 1.00 0.41 O ATOM 114 CB VAL A 7 -1.759 1.714 -3.671 1.00 0.45 C ATOM 115 CG1 VAL A 7 -0.869 1.891 -4.885 1.00 1.21 C ATOM 116 CG2 VAL A 7 -2.166 3.067 -3.106 1.00 1.45 C ATOM 0 H VAL A 7 -2.501 -0.163 -5.783 1.00 0.34 H new ATOM 0 HA VAL A 7 -3.408 0.460 -3.062 1.00 0.38 H new ATOM 0 HB VAL A 7 -1.190 1.190 -2.903 1.00 0.45 H new ATOM 0 HG11 VAL A 7 -0.014 2.514 -4.622 1.00 1.21 H new ATOM 0 HG12 VAL A 7 -0.517 0.916 -5.223 1.00 1.21 H new ATOM 0 HG13 VAL A 7 -1.435 2.370 -5.684 1.00 1.21 H new ATOM 0 HG21 VAL A 7 -1.274 3.654 -2.890 1.00 1.45 H new ATOM 0 HG22 VAL A 7 -2.781 3.595 -3.835 1.00 1.45 H new ATOM 0 HG23 VAL A 7 -2.735 2.922 -2.188 1.00 1.45 H new ATOM 126 N THR A 8 -4.980 2.159 -3.919 1.00 0.39 N ATOM 127 CA THR A 8 -5.932 3.142 -4.384 1.00 0.40 C ATOM 128 C THR A 8 -6.404 3.994 -3.215 1.00 0.42 C ATOM 129 O THR A 8 -6.060 3.705 -2.070 1.00 0.56 O ATOM 130 CB THR A 8 -7.089 2.470 -5.123 1.00 0.43 C ATOM 131 OG1 THR A 8 -8.085 3.429 -5.489 1.00 0.49 O ATOM 132 CG2 THR A 8 -7.693 1.369 -4.288 1.00 0.47 C ATOM 0 H THR A 8 -5.101 1.893 -2.942 1.00 0.39 H new ATOM 0 HA THR A 8 -5.449 3.805 -5.102 1.00 0.40 H new ATOM 0 HB THR A 8 -6.692 2.026 -6.036 1.00 0.43 H new ATOM 0 HG1 THR A 8 -8.942 3.182 -5.083 1.00 0.49 H new ATOM 0 HG21 THR A 8 -8.514 0.906 -4.835 1.00 0.47 H new ATOM 0 HG22 THR A 8 -6.933 0.618 -4.071 1.00 0.47 H new ATOM 0 HG23 THR A 8 -8.069 1.786 -3.354 1.00 0.47 H new ATOM 140 N GLU A 9 -7.141 5.055 -3.484 1.00 0.35 N ATOM 141 CA GLU A 9 -7.741 5.817 -2.411 1.00 0.30 C ATOM 142 C GLU A 9 -8.915 5.048 -1.856 1.00 0.29 C ATOM 143 O GLU A 9 -8.983 4.735 -0.670 1.00 0.41 O ATOM 144 CB GLU A 9 -8.199 7.186 -2.896 1.00 0.31 C ATOM 145 CG GLU A 9 -7.070 8.164 -3.133 1.00 1.13 C ATOM 146 CD GLU A 9 -7.480 9.276 -4.067 1.00 2.20 C ATOM 147 OE1 GLU A 9 -7.697 10.412 -3.589 1.00 2.55 O ATOM 148 OE2 GLU A 9 -7.565 9.026 -5.283 1.00 2.97 O ATOM 0 H GLU A 9 -7.336 5.403 -4.423 1.00 0.35 H new ATOM 0 HA GLU A 9 -6.994 5.972 -1.632 1.00 0.30 H new ATOM 0 HB2 GLU A 9 -8.760 7.063 -3.822 1.00 0.31 H new ATOM 0 HB3 GLU A 9 -8.885 7.609 -2.162 1.00 0.31 H new ATOM 0 HG2 GLU A 9 -6.750 8.588 -2.181 1.00 1.13 H new ATOM 0 HG3 GLU A 9 -6.213 7.636 -3.551 1.00 1.13 H new ATOM 155 N ASP A 10 -9.804 4.684 -2.732 1.00 0.32 N ATOM 156 CA ASP A 10 -11.001 4.011 -2.320 1.00 0.36 C ATOM 157 C ASP A 10 -10.918 2.614 -2.822 1.00 0.33 C ATOM 158 O ASP A 10 -10.348 2.349 -3.870 1.00 0.33 O ATOM 159 CB ASP A 10 -12.262 4.645 -2.871 1.00 0.48 C ATOM 160 CG ASP A 10 -13.417 4.550 -1.898 1.00 0.84 C ATOM 161 OD1 ASP A 10 -13.855 5.603 -1.394 1.00 1.14 O ATOM 162 OD2 ASP A 10 -13.879 3.421 -1.619 1.00 1.11 O ATOM 0 H ASP A 10 -9.724 4.841 -3.737 1.00 0.32 H new ATOM 0 HA ASP A 10 -11.065 4.068 -1.233 1.00 0.36 H new ATOM 0 HB2 ASP A 10 -12.069 5.692 -3.103 1.00 0.48 H new ATOM 0 HB3 ASP A 10 -12.535 4.156 -3.806 1.00 0.48 H new ATOM 167 N GLU A 11 -11.541 1.749 -2.091 1.00 0.38 N ATOM 168 CA GLU A 11 -11.415 0.320 -2.307 1.00 0.40 C ATOM 169 C GLU A 11 -11.977 -0.026 -3.669 1.00 0.47 C ATOM 170 O GLU A 11 -11.651 -1.055 -4.259 1.00 0.60 O ATOM 171 CB GLU A 11 -12.160 -0.437 -1.220 1.00 0.50 C ATOM 172 CG GLU A 11 -11.674 -0.082 0.165 1.00 0.69 C ATOM 173 CD GLU A 11 -12.585 -0.586 1.258 1.00 1.05 C ATOM 174 OE1 GLU A 11 -13.806 -0.352 1.172 1.00 1.48 O ATOM 175 OE2 GLU A 11 -12.085 -1.193 2.227 1.00 1.37 O ATOM 0 H GLU A 11 -12.158 2.001 -1.319 1.00 0.38 H new ATOM 0 HA GLU A 11 -10.364 0.034 -2.267 1.00 0.40 H new ATOM 0 HB2 GLU A 11 -13.226 -0.220 -1.295 1.00 0.50 H new ATOM 0 HB3 GLU A 11 -12.041 -1.509 -1.380 1.00 0.50 H new ATOM 0 HG2 GLU A 11 -10.677 -0.497 0.311 1.00 0.69 H new ATOM 0 HG3 GLU A 11 -11.584 1.001 0.246 1.00 0.69 H new ATOM 182 N ASN A 12 -12.842 0.856 -4.145 1.00 0.49 N ATOM 183 CA ASN A 12 -13.407 0.751 -5.457 1.00 0.60 C ATOM 184 C ASN A 12 -13.118 1.998 -6.294 1.00 0.48 C ATOM 185 O ASN A 12 -13.860 2.292 -7.234 1.00 0.52 O ATOM 186 CB ASN A 12 -14.909 0.530 -5.346 1.00 0.81 C ATOM 187 CG ASN A 12 -15.621 1.634 -4.595 1.00 1.46 C ATOM 188 OD1 ASN A 12 -15.735 1.595 -3.371 1.00 2.00 O ATOM 189 ND2 ASN A 12 -16.123 2.613 -5.327 1.00 2.02 N ATOM 0 H ASN A 12 -13.166 1.667 -3.618 1.00 0.49 H new ATOM 0 HA ASN A 12 -12.946 -0.098 -5.962 1.00 0.60 H new ATOM 0 HB2 ASN A 12 -15.333 0.449 -6.347 1.00 0.81 H new ATOM 0 HB3 ASN A 12 -15.094 -0.420 -4.844 1.00 0.81 H new ATOM 0 HD21 ASN A 12 -16.629 3.377 -4.879 1.00 2.02 H new ATOM 0 HD22 ASN A 12 -16.004 2.605 -6.340 1.00 2.02 H new ATOM 196 N ASP A 13 -12.056 2.752 -5.963 1.00 0.40 N ATOM 197 CA ASP A 13 -11.641 3.849 -6.833 1.00 0.37 C ATOM 198 C ASP A 13 -10.969 3.254 -8.052 1.00 0.47 C ATOM 199 O ASP A 13 -11.602 2.607 -8.884 1.00 0.59 O ATOM 200 CB ASP A 13 -10.644 4.802 -6.158 1.00 0.34 C ATOM 201 CG ASP A 13 -10.525 6.129 -6.879 1.00 0.39 C ATOM 202 OD1 ASP A 13 -11.407 6.988 -6.690 1.00 0.44 O ATOM 203 OD2 ASP A 13 -9.556 6.316 -7.641 1.00 0.52 O ATOM 0 H ASP A 13 -11.489 2.624 -5.125 1.00 0.40 H new ATOM 0 HA ASP A 13 -12.531 4.425 -7.086 1.00 0.37 H new ATOM 0 HB2 ASP A 13 -10.956 4.979 -5.129 1.00 0.34 H new ATOM 0 HB3 ASP A 13 -9.664 4.326 -6.116 1.00 0.34 H new ATOM 208 N GLU A 14 -9.687 3.495 -8.157 1.00 0.47 N ATOM 209 CA GLU A 14 -8.855 2.761 -9.080 1.00 0.56 C ATOM 210 C GLU A 14 -7.728 2.079 -8.328 1.00 0.50 C ATOM 211 O GLU A 14 -6.652 2.654 -8.166 1.00 0.50 O ATOM 212 CB GLU A 14 -8.291 3.709 -10.124 1.00 0.68 C ATOM 213 CG GLU A 14 -7.681 2.997 -11.323 1.00 1.12 C ATOM 214 CD GLU A 14 -7.189 3.944 -12.395 1.00 1.38 C ATOM 215 OE1 GLU A 14 -6.212 4.677 -12.134 1.00 2.18 O ATOM 216 OE2 GLU A 14 -7.770 3.967 -13.498 1.00 1.73 O ATOM 0 H GLU A 14 -9.192 4.200 -7.610 1.00 0.47 H new ATOM 0 HA GLU A 14 -9.454 2.000 -9.579 1.00 0.56 H new ATOM 0 HB2 GLU A 14 -9.085 4.371 -10.470 1.00 0.68 H new ATOM 0 HB3 GLU A 14 -7.532 4.338 -9.660 1.00 0.68 H new ATOM 0 HG2 GLU A 14 -6.850 2.378 -10.985 1.00 1.12 H new ATOM 0 HG3 GLU A 14 -8.423 2.325 -11.754 1.00 1.12 H new ATOM 223 N PRO A 15 -7.949 0.855 -7.840 1.00 0.50 N ATOM 224 CA PRO A 15 -6.884 0.072 -7.234 1.00 0.45 C ATOM 225 C PRO A 15 -6.007 -0.553 -8.299 1.00 0.43 C ATOM 226 O PRO A 15 -6.489 -1.203 -9.227 1.00 0.52 O ATOM 227 CB PRO A 15 -7.636 -0.991 -6.457 1.00 0.50 C ATOM 228 CG PRO A 15 -8.863 -1.183 -7.233 1.00 0.57 C ATOM 229 CD PRO A 15 -9.238 0.158 -7.792 1.00 0.58 C ATOM 0 HA PRO A 15 -6.216 0.664 -6.609 1.00 0.45 H new ATOM 0 HB2 PRO A 15 -7.061 -1.914 -6.381 1.00 0.50 H new ATOM 0 HB3 PRO A 15 -7.852 -0.666 -5.439 1.00 0.50 H new ATOM 0 HG2 PRO A 15 -8.705 -1.905 -8.034 1.00 0.57 H new ATOM 0 HG3 PRO A 15 -9.661 -1.576 -6.603 1.00 0.57 H new ATOM 0 HD2 PRO A 15 -9.690 0.073 -8.780 1.00 0.58 H new ATOM 0 HD3 PRO A 15 -9.956 0.676 -7.156 1.00 0.58 H new ATOM 237 N ILE A 16 -4.724 -0.384 -8.141 1.00 0.36 N ATOM 238 CA ILE A 16 -3.782 -0.726 -9.177 1.00 0.36 C ATOM 239 C ILE A 16 -2.675 -1.625 -8.659 1.00 0.31 C ATOM 240 O ILE A 16 -2.106 -1.363 -7.603 1.00 0.37 O ATOM 241 CB ILE A 16 -3.182 0.553 -9.777 1.00 0.42 C ATOM 242 CG1 ILE A 16 -2.684 1.476 -8.649 1.00 0.41 C ATOM 243 CG2 ILE A 16 -4.214 1.247 -10.641 1.00 0.51 C ATOM 244 CD1 ILE A 16 -3.452 2.782 -8.517 1.00 0.45 C ATOM 0 H ILE A 16 -4.300 -0.006 -7.294 1.00 0.36 H new ATOM 0 HA ILE A 16 -4.320 -1.277 -9.948 1.00 0.36 H new ATOM 0 HB ILE A 16 -2.329 0.298 -10.406 1.00 0.42 H new ATOM 0 HG12 ILE A 16 -2.743 0.937 -7.703 1.00 0.41 H new ATOM 0 HG13 ILE A 16 -1.632 1.704 -8.821 1.00 0.41 H new ATOM 0 HG21 ILE A 16 -3.783 2.154 -11.065 1.00 0.51 H new ATOM 0 HG22 ILE A 16 -4.521 0.581 -11.447 1.00 0.51 H new ATOM 0 HG23 ILE A 16 -5.082 1.506 -10.034 1.00 0.51 H new ATOM 0 HD11 ILE A 16 -3.034 3.369 -7.699 1.00 0.45 H new ATOM 0 HD12 ILE A 16 -3.372 3.346 -9.446 1.00 0.45 H new ATOM 0 HD13 ILE A 16 -4.501 2.568 -8.311 1.00 0.45 H new ATOM 256 N GLU A 17 -2.377 -2.681 -9.400 1.00 0.34 N ATOM 257 CA GLU A 17 -1.243 -3.534 -9.087 1.00 0.34 C ATOM 258 C GLU A 17 0.014 -2.943 -9.695 1.00 0.36 C ATOM 259 O GLU A 17 0.091 -2.729 -10.906 1.00 0.45 O ATOM 260 CB GLU A 17 -1.452 -4.936 -9.617 1.00 0.43 C ATOM 261 CG GLU A 17 -2.555 -5.692 -8.901 1.00 0.53 C ATOM 262 CD GLU A 17 -2.988 -6.927 -9.656 1.00 0.98 C ATOM 263 OE1 GLU A 17 -4.089 -6.913 -10.241 1.00 1.62 O ATOM 264 OE2 GLU A 17 -2.216 -7.907 -9.691 1.00 1.35 O ATOM 0 H GLU A 17 -2.906 -2.967 -10.224 1.00 0.34 H new ATOM 0 HA GLU A 17 -1.143 -3.590 -8.003 1.00 0.34 H new ATOM 0 HB2 GLU A 17 -1.688 -4.883 -10.680 1.00 0.43 H new ATOM 0 HB3 GLU A 17 -0.520 -5.494 -9.525 1.00 0.43 H new ATOM 0 HG2 GLU A 17 -2.210 -5.979 -7.908 1.00 0.53 H new ATOM 0 HG3 GLU A 17 -3.413 -5.034 -8.763 1.00 0.53 H new ATOM 271 N ILE A 18 0.990 -2.683 -8.858 1.00 0.32 N ATOM 272 CA ILE A 18 2.179 -1.950 -9.276 1.00 0.39 C ATOM 273 C ILE A 18 3.433 -2.560 -8.672 1.00 0.36 C ATOM 274 O ILE A 18 3.441 -2.957 -7.506 1.00 0.35 O ATOM 275 CB ILE A 18 2.108 -0.454 -8.884 1.00 0.47 C ATOM 276 CG1 ILE A 18 1.862 -0.299 -7.381 1.00 1.18 C ATOM 277 CG2 ILE A 18 1.034 0.265 -9.688 1.00 1.37 C ATOM 278 CD1 ILE A 18 1.962 1.130 -6.892 1.00 1.52 C ATOM 0 H ILE A 18 0.991 -2.966 -7.878 1.00 0.32 H new ATOM 0 HA ILE A 18 2.221 -2.022 -10.363 1.00 0.39 H new ATOM 0 HB ILE A 18 3.068 0.006 -9.119 1.00 0.47 H new ATOM 0 HG12 ILE A 18 0.872 -0.687 -7.142 1.00 1.18 H new ATOM 0 HG13 ILE A 18 2.583 -0.910 -6.839 1.00 1.18 H new ATOM 0 HG21 ILE A 18 1.002 1.315 -9.396 1.00 1.37 H new ATOM 0 HG22 ILE A 18 1.264 0.191 -10.751 1.00 1.37 H new ATOM 0 HG23 ILE A 18 0.065 -0.195 -9.494 1.00 1.37 H new ATOM 0 HD11 ILE A 18 1.776 1.161 -5.818 1.00 1.52 H new ATOM 0 HD12 ILE A 18 2.960 1.516 -7.099 1.00 1.52 H new ATOM 0 HD13 ILE A 18 1.222 1.743 -7.406 1.00 1.52 H new ATOM 290 N PRO A 19 4.506 -2.653 -9.470 1.00 0.39 N ATOM 291 CA PRO A 19 5.789 -3.196 -9.023 1.00 0.39 C ATOM 292 C PRO A 19 6.474 -2.286 -8.011 1.00 0.36 C ATOM 293 O PRO A 19 6.706 -1.103 -8.275 1.00 0.44 O ATOM 294 CB PRO A 19 6.624 -3.287 -10.309 1.00 0.48 C ATOM 295 CG PRO A 19 5.652 -3.105 -11.428 1.00 0.67 C ATOM 296 CD PRO A 19 4.554 -2.246 -10.879 1.00 0.47 C ATOM 0 HA PRO A 19 5.666 -4.154 -8.519 1.00 0.39 H new ATOM 0 HB2 PRO A 19 7.396 -2.518 -10.331 1.00 0.48 H new ATOM 0 HB3 PRO A 19 7.130 -4.250 -10.381 1.00 0.48 H new ATOM 0 HG2 PRO A 19 6.128 -2.630 -12.286 1.00 0.67 H new ATOM 0 HG3 PRO A 19 5.264 -4.065 -11.769 1.00 0.67 H new ATOM 0 HD2 PRO A 19 4.777 -1.185 -10.987 1.00 0.47 H new ATOM 0 HD3 PRO A 19 3.606 -2.426 -11.386 1.00 0.47 H new ATOM 304 N SER A 20 6.789 -2.846 -6.857 1.00 0.39 N ATOM 305 CA SER A 20 7.454 -2.110 -5.800 1.00 0.39 C ATOM 306 C SER A 20 8.961 -2.331 -5.861 1.00 0.38 C ATOM 307 O SER A 20 9.438 -3.194 -6.605 1.00 0.40 O ATOM 308 CB SER A 20 6.910 -2.559 -4.447 1.00 0.44 C ATOM 309 OG SER A 20 5.496 -2.466 -4.412 1.00 0.97 O ATOM 0 H SER A 20 6.591 -3.820 -6.628 1.00 0.39 H new ATOM 0 HA SER A 20 7.259 -1.046 -5.932 1.00 0.39 H new ATOM 0 HB2 SER A 20 7.215 -3.587 -4.251 1.00 0.44 H new ATOM 0 HB3 SER A 20 7.338 -1.943 -3.656 1.00 0.44 H new ATOM 0 HG SER A 20 5.226 -1.853 -3.697 1.00 0.97 H new ATOM 315 N GLU A 21 9.706 -1.548 -5.086 1.00 0.41 N ATOM 316 CA GLU A 21 11.146 -1.718 -4.987 1.00 0.48 C ATOM 317 C GLU A 21 11.442 -3.063 -4.353 1.00 0.49 C ATOM 318 O GLU A 21 10.803 -3.450 -3.376 1.00 0.45 O ATOM 319 CB GLU A 21 11.754 -0.586 -4.159 1.00 0.53 C ATOM 320 CG GLU A 21 13.270 -0.588 -4.108 1.00 1.47 C ATOM 321 CD GLU A 21 13.897 -0.369 -5.465 1.00 1.91 C ATOM 322 OE1 GLU A 21 14.422 -1.341 -6.039 1.00 2.77 O ATOM 323 OE2 GLU A 21 13.863 0.773 -5.964 1.00 2.00 O ATOM 0 H GLU A 21 9.332 -0.788 -4.517 1.00 0.41 H new ATOM 0 HA GLU A 21 11.590 -1.685 -5.982 1.00 0.48 H new ATOM 0 HB2 GLU A 21 11.418 0.367 -4.568 1.00 0.53 H new ATOM 0 HB3 GLU A 21 11.369 -0.650 -3.141 1.00 0.53 H new ATOM 0 HG2 GLU A 21 13.608 0.192 -3.426 1.00 1.47 H new ATOM 0 HG3 GLU A 21 13.615 -1.539 -3.702 1.00 1.47 H new ATOM 330 N ASP A 22 12.409 -3.761 -4.933 1.00 0.61 N ATOM 331 CA ASP A 22 12.774 -5.124 -4.536 1.00 0.70 C ATOM 332 C ASP A 22 13.141 -5.217 -3.071 1.00 0.72 C ATOM 333 O ASP A 22 13.204 -6.305 -2.502 1.00 0.81 O ATOM 334 CB ASP A 22 13.984 -5.567 -5.315 1.00 0.87 C ATOM 335 CG ASP A 22 13.769 -5.576 -6.814 1.00 1.33 C ATOM 336 OD1 ASP A 22 13.497 -6.655 -7.373 1.00 1.43 O ATOM 337 OD2 ASP A 22 13.877 -4.503 -7.443 1.00 2.13 O ATOM 0 H ASP A 22 12.972 -3.397 -5.702 1.00 0.61 H new ATOM 0 HA ASP A 22 11.904 -5.751 -4.732 1.00 0.70 H new ATOM 0 HB2 ASP A 22 14.819 -4.907 -5.080 1.00 0.87 H new ATOM 0 HB3 ASP A 22 14.268 -6.568 -4.991 1.00 0.87 H new ATOM 342 N ASP A 23 13.419 -4.077 -2.472 1.00 0.69 N ATOM 343 CA ASP A 23 13.772 -4.030 -1.061 1.00 0.75 C ATOM 344 C ASP A 23 12.511 -4.115 -0.235 1.00 0.66 C ATOM 345 O ASP A 23 12.538 -4.065 0.993 1.00 0.75 O ATOM 346 CB ASP A 23 14.543 -2.767 -0.720 1.00 0.82 C ATOM 347 CG ASP A 23 15.850 -2.668 -1.478 1.00 1.53 C ATOM 348 OD1 ASP A 23 16.753 -3.488 -1.216 1.00 1.85 O ATOM 349 OD2 ASP A 23 15.980 -1.772 -2.336 1.00 2.32 O ATOM 0 H ASP A 23 13.408 -3.169 -2.937 1.00 0.69 H new ATOM 0 HA ASP A 23 14.421 -4.876 -0.836 1.00 0.75 H new ATOM 0 HB2 ASP A 23 13.928 -1.896 -0.946 1.00 0.82 H new ATOM 0 HB3 ASP A 23 14.744 -2.745 0.351 1.00 0.82 H new ATOM 354 N GLY A 24 11.403 -4.233 -0.946 1.00 0.56 N ATOM 355 CA GLY A 24 10.108 -4.352 -0.302 1.00 0.55 C ATOM 356 C GLY A 24 9.582 -2.996 0.083 1.00 0.48 C ATOM 357 O GLY A 24 8.810 -2.842 1.030 1.00 0.55 O ATOM 0 H GLY A 24 11.374 -4.249 -1.965 1.00 0.56 H new ATOM 0 HA2 GLY A 24 9.405 -4.843 -0.975 1.00 0.55 H new ATOM 0 HA3 GLY A 24 10.193 -4.980 0.585 1.00 0.55 H new ATOM 361 N THR A 25 10.041 -2.010 -0.651 1.00 0.40 N ATOM 362 CA THR A 25 9.910 -0.631 -0.268 1.00 0.39 C ATOM 363 C THR A 25 9.340 0.205 -1.421 1.00 0.36 C ATOM 364 O THR A 25 9.370 -0.221 -2.572 1.00 0.41 O ATOM 365 CB THR A 25 11.316 -0.148 0.159 1.00 0.51 C ATOM 366 OG1 THR A 25 11.349 0.161 1.557 1.00 0.62 O ATOM 367 CG2 THR A 25 11.790 1.029 -0.669 1.00 0.47 C ATOM 0 H THR A 25 10.521 -2.148 -1.540 1.00 0.40 H new ATOM 0 HA THR A 25 9.209 -0.517 0.559 1.00 0.39 H new ATOM 0 HB THR A 25 12.008 -0.969 -0.026 1.00 0.51 H new ATOM 0 HG1 THR A 25 11.364 -0.670 2.076 1.00 0.62 H new ATOM 0 HG21 THR A 25 12.781 1.334 -0.334 1.00 0.47 H new ATOM 0 HG22 THR A 25 11.835 0.741 -1.719 1.00 0.47 H new ATOM 0 HG23 THR A 25 11.095 1.860 -0.551 1.00 0.47 H new ATOM 375 N VAL A 26 8.779 1.369 -1.103 1.00 0.33 N ATOM 376 CA VAL A 26 8.290 2.294 -2.106 1.00 0.37 C ATOM 377 C VAL A 26 8.451 3.742 -1.648 1.00 0.35 C ATOM 378 O VAL A 26 8.466 4.027 -0.450 1.00 0.32 O ATOM 379 CB VAL A 26 6.818 2.032 -2.449 1.00 0.42 C ATOM 380 CG1 VAL A 26 6.696 0.978 -3.535 1.00 0.47 C ATOM 381 CG2 VAL A 26 6.060 1.592 -1.222 1.00 0.41 C ATOM 0 H VAL A 26 8.654 1.691 -0.143 1.00 0.33 H new ATOM 0 HA VAL A 26 8.892 2.132 -3.000 1.00 0.37 H new ATOM 0 HB VAL A 26 6.388 2.963 -2.817 1.00 0.42 H new ATOM 0 HG11 VAL A 26 5.643 0.809 -3.761 1.00 0.47 H new ATOM 0 HG12 VAL A 26 7.210 1.320 -4.433 1.00 0.47 H new ATOM 0 HG13 VAL A 26 7.147 0.047 -3.191 1.00 0.47 H new ATOM 0 HG21 VAL A 26 5.018 1.411 -1.484 1.00 0.41 H new ATOM 0 HG22 VAL A 26 6.501 0.675 -0.831 1.00 0.41 H new ATOM 0 HG23 VAL A 26 6.113 2.372 -0.463 1.00 0.41 H new ATOM 391 N LEU A 27 8.575 4.645 -2.614 1.00 0.42 N ATOM 392 CA LEU A 27 8.760 6.070 -2.349 1.00 0.45 C ATOM 393 C LEU A 27 7.482 6.686 -1.792 1.00 0.43 C ATOM 394 O LEU A 27 6.616 7.111 -2.542 1.00 0.48 O ATOM 395 CB LEU A 27 9.182 6.770 -3.653 1.00 0.56 C ATOM 396 CG LEU A 27 8.837 6.015 -4.936 1.00 1.25 C ATOM 397 CD1 LEU A 27 7.356 6.163 -5.231 1.00 1.94 C ATOM 398 CD2 LEU A 27 9.681 6.516 -6.100 1.00 1.67 C ATOM 0 H LEU A 27 8.550 4.410 -3.606 1.00 0.42 H new ATOM 0 HA LEU A 27 9.541 6.201 -1.600 1.00 0.45 H new ATOM 0 HB2 LEU A 27 8.709 7.752 -3.689 1.00 0.56 H new ATOM 0 HB3 LEU A 27 10.259 6.936 -3.626 1.00 0.56 H new ATOM 0 HG LEU A 27 9.062 4.957 -4.799 1.00 1.25 H new ATOM 0 HD11 LEU A 27 7.112 5.624 -6.146 1.00 1.94 H new ATOM 0 HD12 LEU A 27 6.777 5.753 -4.403 1.00 1.94 H new ATOM 0 HD13 LEU A 27 7.114 7.218 -5.356 1.00 1.94 H new ATOM 0 HD21 LEU A 27 9.419 5.965 -7.003 1.00 1.67 H new ATOM 0 HD22 LEU A 27 9.492 7.578 -6.256 1.00 1.67 H new ATOM 0 HD23 LEU A 27 10.737 6.364 -5.876 1.00 1.67 H new ATOM 410 N LEU A 28 7.385 6.760 -0.468 1.00 0.45 N ATOM 411 CA LEU A 28 6.165 7.190 0.177 1.00 0.49 C ATOM 412 C LEU A 28 5.895 8.641 -0.166 1.00 0.46 C ATOM 413 O LEU A 28 4.827 8.970 -0.648 1.00 0.46 O ATOM 414 CB LEU A 28 6.313 6.974 1.685 1.00 0.63 C ATOM 415 CG LEU A 28 6.175 8.207 2.571 1.00 0.67 C ATOM 416 CD1 LEU A 28 4.715 8.593 2.752 1.00 0.83 C ATOM 417 CD2 LEU A 28 6.833 7.982 3.921 1.00 0.97 C ATOM 0 H LEU A 28 8.142 6.526 0.174 1.00 0.45 H new ATOM 0 HA LEU A 28 5.312 6.609 -0.173 1.00 0.49 H new ATOM 0 HB2 LEU A 28 5.567 6.244 1.999 1.00 0.63 H new ATOM 0 HB3 LEU A 28 7.291 6.530 1.871 1.00 0.63 H new ATOM 0 HG LEU A 28 6.686 9.030 2.071 1.00 0.67 H new ATOM 0 HD11 LEU A 28 4.648 9.475 3.388 1.00 0.83 H new ATOM 0 HD12 LEU A 28 4.273 8.812 1.780 1.00 0.83 H new ATOM 0 HD13 LEU A 28 4.176 7.768 3.218 1.00 0.83 H new ATOM 0 HD21 LEU A 28 6.721 8.876 4.534 1.00 0.97 H new ATOM 0 HD22 LEU A 28 6.359 7.137 4.421 1.00 0.97 H new ATOM 0 HD23 LEU A 28 7.893 7.771 3.779 1.00 0.97 H new ATOM 429 N SER A 29 6.908 9.472 0.018 1.00 0.49 N ATOM 430 CA SER A 29 6.828 10.900 -0.245 1.00 0.58 C ATOM 431 C SER A 29 6.528 11.151 -1.710 1.00 0.58 C ATOM 432 O SER A 29 5.794 12.077 -2.073 1.00 0.61 O ATOM 433 CB SER A 29 8.151 11.553 0.152 1.00 0.72 C ATOM 434 OG SER A 29 9.247 10.799 -0.342 1.00 1.43 O ATOM 0 H SER A 29 7.821 9.170 0.359 1.00 0.49 H new ATOM 0 HA SER A 29 6.019 11.335 0.343 1.00 0.58 H new ATOM 0 HB2 SER A 29 8.194 12.569 -0.241 1.00 0.72 H new ATOM 0 HB3 SER A 29 8.214 11.629 1.238 1.00 0.72 H new ATOM 0 HG SER A 29 10.086 11.232 -0.080 1.00 1.43 H new ATOM 440 N THR A 30 7.056 10.280 -2.545 1.00 0.60 N ATOM 441 CA THR A 30 6.871 10.391 -3.955 1.00 0.68 C ATOM 442 C THR A 30 5.453 9.955 -4.304 1.00 0.65 C ATOM 443 O THR A 30 4.811 10.507 -5.199 1.00 0.74 O ATOM 444 CB THR A 30 7.948 9.585 -4.668 1.00 0.79 C ATOM 445 OG1 THR A 30 9.211 10.258 -4.586 1.00 1.42 O ATOM 446 CG2 THR A 30 7.564 9.346 -6.088 1.00 0.94 C ATOM 0 H THR A 30 7.621 9.482 -2.255 1.00 0.60 H new ATOM 0 HA THR A 30 6.979 11.422 -4.291 1.00 0.68 H new ATOM 0 HB THR A 30 8.045 8.618 -4.175 1.00 0.79 H new ATOM 0 HG1 THR A 30 9.895 9.728 -5.047 1.00 1.42 H new ATOM 0 HG21 THR A 30 8.344 8.769 -6.584 1.00 0.94 H new ATOM 0 HG22 THR A 30 6.626 8.793 -6.123 1.00 0.94 H new ATOM 0 HG23 THR A 30 7.441 10.302 -6.597 1.00 0.94 H new ATOM 454 N VAL A 31 4.954 8.998 -3.541 1.00 0.56 N ATOM 455 CA VAL A 31 3.560 8.622 -3.598 1.00 0.58 C ATOM 456 C VAL A 31 2.668 9.798 -3.181 1.00 0.56 C ATOM 457 O VAL A 31 1.733 10.129 -3.880 1.00 0.67 O ATOM 458 CB VAL A 31 3.289 7.378 -2.723 1.00 0.55 C ATOM 459 CG1 VAL A 31 1.811 7.210 -2.415 1.00 0.65 C ATOM 460 CG2 VAL A 31 3.810 6.146 -3.433 1.00 0.57 C ATOM 0 H VAL A 31 5.505 8.464 -2.868 1.00 0.56 H new ATOM 0 HA VAL A 31 3.316 8.362 -4.628 1.00 0.58 H new ATOM 0 HB VAL A 31 3.806 7.514 -1.773 1.00 0.55 H new ATOM 0 HG11 VAL A 31 1.666 6.323 -1.798 1.00 0.65 H new ATOM 0 HG12 VAL A 31 1.449 8.088 -1.880 1.00 0.65 H new ATOM 0 HG13 VAL A 31 1.256 7.098 -3.346 1.00 0.65 H new ATOM 0 HG21 VAL A 31 3.621 5.265 -2.819 1.00 0.57 H new ATOM 0 HG22 VAL A 31 3.302 6.036 -4.391 1.00 0.57 H new ATOM 0 HG23 VAL A 31 4.882 6.249 -3.600 1.00 0.57 H new ATOM 470 N THR A 32 2.989 10.459 -2.069 1.00 0.49 N ATOM 471 CA THR A 32 2.165 11.565 -1.562 1.00 0.52 C ATOM 472 C THR A 32 2.142 12.764 -2.504 1.00 0.64 C ATOM 473 O THR A 32 1.347 13.677 -2.293 1.00 0.72 O ATOM 474 CB THR A 32 2.514 12.028 -0.123 1.00 0.48 C ATOM 475 OG1 THR A 32 2.919 13.400 -0.105 1.00 0.67 O ATOM 476 CG2 THR A 32 3.599 11.186 0.470 1.00 0.52 C ATOM 0 H THR A 32 3.810 10.252 -1.501 1.00 0.49 H new ATOM 0 HA THR A 32 1.165 11.134 -1.516 1.00 0.52 H new ATOM 0 HB THR A 32 1.610 11.915 0.475 1.00 0.48 H new ATOM 0 HG1 THR A 32 3.131 13.666 0.814 1.00 0.67 H new ATOM 0 HG21 THR A 32 3.821 11.535 1.478 1.00 0.52 H new ATOM 0 HG22 THR A 32 3.272 10.147 0.510 1.00 0.52 H new ATOM 0 HG23 THR A 32 4.495 11.261 -0.145 1.00 0.52 H new ATOM 484 N ALA A 33 3.094 12.826 -3.442 1.00 0.69 N ATOM 485 CA ALA A 33 3.103 13.845 -4.522 1.00 0.82 C ATOM 486 C ALA A 33 1.816 13.898 -5.356 1.00 0.88 C ATOM 487 O ALA A 33 1.858 14.119 -6.568 1.00 0.93 O ATOM 488 CB ALA A 33 4.282 13.601 -5.427 1.00 0.89 C ATOM 0 H ALA A 33 3.881 12.178 -3.482 1.00 0.69 H new ATOM 0 HA ALA A 33 3.177 14.813 -4.026 1.00 0.82 H new ATOM 0 HB1 ALA A 33 4.292 14.347 -6.221 1.00 0.89 H new ATOM 0 HB2 ALA A 33 5.204 13.673 -4.850 1.00 0.89 H new ATOM 0 HB3 ALA A 33 4.205 12.606 -5.865 1.00 0.89 H new ATOM 494 N GLN A 34 0.692 13.727 -4.687 1.00 0.92 N ATOM 495 CA GLN A 34 -0.611 13.595 -5.297 1.00 0.98 C ATOM 496 C GLN A 34 -1.603 13.191 -4.239 1.00 0.91 C ATOM 497 O GLN A 34 -1.317 13.270 -3.044 1.00 0.81 O ATOM 498 CB GLN A 34 -0.588 12.512 -6.354 1.00 1.04 C ATOM 499 CG GLN A 34 -0.025 11.205 -5.866 1.00 0.94 C ATOM 500 CD GLN A 34 1.096 10.695 -6.757 1.00 0.96 C ATOM 501 OE1 GLN A 34 2.325 11.136 -6.494 1.00 1.05 O flip ATOM 502 NE2 GLN A 34 0.858 9.934 -7.698 1.00 0.89 N flip ATOM 0 H GLN A 34 0.663 13.675 -3.669 1.00 0.92 H new ATOM 0 HA GLN A 34 -0.886 14.547 -5.752 1.00 0.98 H new ATOM 0 HB2 GLN A 34 -1.603 12.348 -6.716 1.00 1.04 H new ATOM 0 HB3 GLN A 34 0.002 12.857 -7.203 1.00 1.04 H new ATOM 0 HG2 GLN A 34 0.349 11.329 -4.850 1.00 0.94 H new ATOM 0 HG3 GLN A 34 -0.821 10.461 -5.824 1.00 0.94 H new ATOM 0 HE21 GLN A 34 -0.096 9.617 -7.869 1.00 0.89 H new ATOM 0 HE22 GLN A 34 1.616 9.622 -8.305 1.00 0.89 H new ATOM 511 N PHE A 35 -2.766 12.766 -4.673 1.00 0.98 N ATOM 512 CA PHE A 35 -3.678 12.094 -3.798 1.00 0.94 C ATOM 513 C PHE A 35 -3.754 10.622 -4.197 1.00 0.94 C ATOM 514 O PHE A 35 -4.536 10.235 -5.063 1.00 1.07 O ATOM 515 CB PHE A 35 -5.026 12.766 -3.950 1.00 1.08 C ATOM 516 CG PHE A 35 -5.140 14.070 -3.208 1.00 1.12 C ATOM 517 CD1 PHE A 35 -4.311 15.138 -3.519 1.00 1.15 C ATOM 518 CD2 PHE A 35 -6.078 14.229 -2.204 1.00 1.39 C ATOM 519 CE1 PHE A 35 -4.415 16.334 -2.839 1.00 1.25 C ATOM 520 CE2 PHE A 35 -6.187 15.422 -1.520 1.00 1.50 C ATOM 521 CZ PHE A 35 -5.355 16.476 -1.838 1.00 1.33 C ATOM 0 H PHE A 35 -3.098 12.877 -5.631 1.00 0.98 H new ATOM 0 HA PHE A 35 -3.354 12.148 -2.759 1.00 0.94 H new ATOM 0 HB2 PHE A 35 -5.216 12.943 -5.009 1.00 1.08 H new ATOM 0 HB3 PHE A 35 -5.802 12.088 -3.596 1.00 1.08 H new ATOM 0 HD1 PHE A 35 -3.575 15.032 -4.303 1.00 1.15 H new ATOM 0 HD2 PHE A 35 -6.734 13.408 -1.952 1.00 1.39 H new ATOM 0 HE1 PHE A 35 -3.762 17.157 -3.089 1.00 1.25 H new ATOM 0 HE2 PHE A 35 -6.922 15.531 -0.737 1.00 1.50 H new ATOM 0 HZ PHE A 35 -5.439 17.411 -1.304 1.00 1.33 H new ATOM 531 N PRO A 36 -2.909 9.795 -3.568 1.00 0.82 N ATOM 532 CA PRO A 36 -2.878 8.351 -3.750 1.00 0.85 C ATOM 533 C PRO A 36 -3.106 7.529 -2.470 1.00 0.77 C ATOM 534 O PRO A 36 -3.003 6.307 -2.495 1.00 0.83 O ATOM 535 CB PRO A 36 -1.422 8.209 -4.124 1.00 0.82 C ATOM 536 CG PRO A 36 -0.750 9.120 -3.136 1.00 0.67 C ATOM 537 CD PRO A 36 -1.747 10.203 -2.795 1.00 0.69 C ATOM 0 HA PRO A 36 -3.648 7.999 -4.437 1.00 0.85 H new ATOM 0 HB2 PRO A 36 -1.076 7.180 -4.029 1.00 0.82 H new ATOM 0 HB3 PRO A 36 -1.234 8.515 -5.153 1.00 0.82 H new ATOM 0 HG2 PRO A 36 -0.455 8.571 -2.242 1.00 0.67 H new ATOM 0 HG3 PRO A 36 0.157 9.549 -3.561 1.00 0.67 H new ATOM 0 HD2 PRO A 36 -1.960 10.241 -1.727 1.00 0.69 H new ATOM 0 HD3 PRO A 36 -1.391 11.192 -3.084 1.00 0.69 H new ATOM 545 N GLY A 37 -3.400 8.198 -1.364 1.00 0.67 N ATOM 546 CA GLY A 37 -3.240 7.578 -0.054 1.00 0.60 C ATOM 547 C GLY A 37 -2.049 8.187 0.673 1.00 0.48 C ATOM 548 O GLY A 37 -1.927 8.099 1.882 1.00 0.51 O ATOM 0 H GLY A 37 -3.746 9.157 -1.345 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -4.146 7.718 0.536 1.00 0.60 H new ATOM 0 HA3 GLY A 37 -3.096 6.503 -0.167 1.00 0.60 H new ATOM 552 N ALA A 38 -1.170 8.795 -0.107 1.00 0.45 N ATOM 553 CA ALA A 38 -0.127 9.698 0.371 1.00 0.40 C ATOM 554 C ALA A 38 0.843 9.080 1.377 1.00 0.35 C ATOM 555 O ALA A 38 1.880 8.544 0.994 1.00 0.43 O ATOM 556 CB ALA A 38 -0.755 10.942 0.957 1.00 0.41 C ATOM 0 H ALA A 38 -1.159 8.673 -1.120 1.00 0.45 H new ATOM 0 HA ALA A 38 0.476 9.942 -0.504 1.00 0.40 H new ATOM 0 HB1 ALA A 38 0.028 11.612 1.312 1.00 0.41 H new ATOM 0 HB2 ALA A 38 -1.345 11.447 0.192 1.00 0.41 H new ATOM 0 HB3 ALA A 38 -1.401 10.665 1.790 1.00 0.41 H new ATOM 562 N SER A 39 0.497 9.150 2.655 1.00 0.32 N ATOM 563 CA SER A 39 1.468 8.934 3.717 1.00 0.34 C ATOM 564 C SER A 39 0.955 7.927 4.723 1.00 0.32 C ATOM 565 O SER A 39 1.638 7.580 5.686 1.00 0.48 O ATOM 566 CB SER A 39 1.760 10.255 4.417 1.00 0.41 C ATOM 567 OG SER A 39 2.108 11.264 3.480 1.00 1.11 O ATOM 0 H SER A 39 -0.448 9.354 2.981 1.00 0.32 H new ATOM 0 HA SER A 39 2.383 8.541 3.274 1.00 0.34 H new ATOM 0 HB2 SER A 39 0.885 10.569 4.987 1.00 0.41 H new ATOM 0 HB3 SER A 39 2.573 10.120 5.130 1.00 0.41 H new ATOM 0 HG SER A 39 2.289 12.102 3.954 1.00 1.11 H new ATOM 573 N GLY A 40 -0.248 7.463 4.490 1.00 0.36 N ATOM 574 CA GLY A 40 -0.868 6.547 5.395 1.00 0.35 C ATOM 575 C GLY A 40 -1.387 5.366 4.655 1.00 0.32 C ATOM 576 O GLY A 40 -1.430 5.381 3.426 1.00 0.39 O ATOM 0 H GLY A 40 -0.813 7.710 3.677 1.00 0.36 H new ATOM 0 HA2 GLY A 40 -0.149 6.226 6.148 1.00 0.35 H new ATOM 0 HA3 GLY A 40 -1.683 7.042 5.923 1.00 0.35 H new ATOM 580 N LEU A 41 -1.801 4.348 5.367 1.00 0.28 N ATOM 581 CA LEU A 41 -2.282 3.180 4.703 1.00 0.26 C ATOM 582 C LEU A 41 -3.364 2.473 5.500 1.00 0.25 C ATOM 583 O LEU A 41 -3.318 2.412 6.726 1.00 0.28 O ATOM 584 CB LEU A 41 -1.115 2.223 4.444 1.00 0.29 C ATOM 585 CG LEU A 41 -1.070 1.611 3.046 1.00 0.35 C ATOM 586 CD1 LEU A 41 -2.264 0.720 2.815 1.00 0.56 C ATOM 587 CD2 LEU A 41 -1.010 2.721 2.015 1.00 0.45 C ATOM 0 H LEU A 41 -1.812 4.310 6.386 1.00 0.28 H new ATOM 0 HA LEU A 41 -2.727 3.493 3.758 1.00 0.26 H new ATOM 0 HB2 LEU A 41 -0.182 2.759 4.618 1.00 0.29 H new ATOM 0 HB3 LEU A 41 -1.160 1.415 5.175 1.00 0.29 H new ATOM 0 HG LEU A 41 -0.178 0.992 2.952 1.00 0.35 H new ATOM 0 HD11 LEU A 41 -2.212 0.294 1.813 1.00 0.56 H new ATOM 0 HD12 LEU A 41 -2.266 -0.084 3.551 1.00 0.56 H new ATOM 0 HD13 LEU A 41 -3.179 1.305 2.914 1.00 0.56 H new ATOM 0 HD21 LEU A 41 -0.978 2.288 1.015 1.00 0.45 H new ATOM 0 HD22 LEU A 41 -1.893 3.353 2.108 1.00 0.45 H new ATOM 0 HD23 LEU A 41 -0.116 3.322 2.179 1.00 0.45 H new ATOM 599 N ARG A 42 -4.360 1.996 4.781 1.00 0.23 N ATOM 600 CA ARG A 42 -5.239 0.946 5.263 1.00 0.21 C ATOM 601 C ARG A 42 -5.375 -0.041 4.140 1.00 0.21 C ATOM 602 O ARG A 42 -5.171 0.343 3.018 1.00 0.27 O ATOM 603 CB ARG A 42 -6.593 1.481 5.610 1.00 0.24 C ATOM 604 CG ARG A 42 -6.531 2.651 6.537 1.00 0.32 C ATOM 605 CD ARG A 42 -7.919 3.198 6.689 1.00 0.39 C ATOM 606 NE ARG A 42 -8.012 4.271 7.673 1.00 0.99 N ATOM 607 CZ ARG A 42 -8.942 5.220 7.645 1.00 1.25 C ATOM 608 NH1 ARG A 42 -9.779 5.307 6.615 1.00 1.20 N ATOM 609 NH2 ARG A 42 -9.031 6.088 8.639 1.00 1.94 N ATOM 0 H ARG A 42 -4.585 2.326 3.842 1.00 0.23 H new ATOM 0 HA ARG A 42 -4.824 0.496 6.165 1.00 0.21 H new ATOM 0 HB2 ARG A 42 -7.108 1.774 4.695 1.00 0.24 H new ATOM 0 HB3 ARG A 42 -7.185 0.690 6.070 1.00 0.24 H new ATOM 0 HG2 ARG A 42 -6.133 2.349 7.506 1.00 0.32 H new ATOM 0 HG3 ARG A 42 -5.862 3.415 6.142 1.00 0.32 H new ATOM 0 HD2 ARG A 42 -8.264 3.569 5.724 1.00 0.39 H new ATOM 0 HD3 ARG A 42 -8.591 2.390 6.978 1.00 0.39 H new ATOM 0 HE ARG A 42 -7.324 4.294 8.426 1.00 0.99 H new ATOM 0 HH11 ARG A 42 -9.708 4.644 5.843 1.00 1.20 H new ATOM 0 HH12 ARG A 42 -10.491 6.037 6.597 1.00 1.20 H new ATOM 0 HH21 ARG A 42 -8.386 6.029 9.427 1.00 1.94 H new ATOM 0 HH22 ARG A 42 -9.745 6.816 8.618 1.00 1.94 H new ATOM 623 N TYR A 43 -5.635 -1.297 4.384 1.00 0.22 N ATOM 624 CA TYR A 43 -5.974 -2.150 3.255 1.00 0.25 C ATOM 625 C TYR A 43 -6.837 -3.322 3.628 1.00 0.33 C ATOM 626 O TYR A 43 -6.949 -3.681 4.804 1.00 0.41 O ATOM 627 CB TYR A 43 -4.721 -2.631 2.553 1.00 0.26 C ATOM 628 CG TYR A 43 -3.868 -3.577 3.369 1.00 0.39 C ATOM 629 CD1 TYR A 43 -2.880 -3.095 4.201 1.00 0.70 C ATOM 630 CD2 TYR A 43 -4.058 -4.952 3.301 1.00 0.98 C ATOM 631 CE1 TYR A 43 -2.094 -3.954 4.948 1.00 0.77 C ATOM 632 CE2 TYR A 43 -3.281 -5.817 4.042 1.00 1.14 C ATOM 633 CZ TYR A 43 -2.299 -5.315 4.863 1.00 0.76 C ATOM 634 OH TYR A 43 -1.515 -6.174 5.598 1.00 0.97 O ATOM 0 H TYR A 43 -5.623 -1.744 5.301 1.00 0.22 H new ATOM 0 HA TYR A 43 -6.562 -1.531 2.577 1.00 0.25 H new ATOM 0 HB2 TYR A 43 -5.007 -3.128 1.626 1.00 0.26 H new ATOM 0 HB3 TYR A 43 -4.119 -1.765 2.278 1.00 0.26 H new ATOM 0 HD1 TYR A 43 -2.717 -2.030 4.271 1.00 0.70 H new ATOM 0 HD2 TYR A 43 -4.828 -5.350 2.656 1.00 0.98 H new ATOM 0 HE1 TYR A 43 -1.324 -3.561 5.595 1.00 0.77 H new ATOM 0 HE2 TYR A 43 -3.443 -6.883 3.978 1.00 1.14 H new ATOM 0 HH TYR A 43 -0.809 -6.542 5.027 1.00 0.97 H new ATOM 644 N ARG A 44 -7.413 -3.920 2.586 1.00 0.35 N ATOM 645 CA ARG A 44 -8.234 -5.103 2.715 1.00 0.43 C ATOM 646 C ARG A 44 -7.514 -6.310 2.126 1.00 0.47 C ATOM 647 O ARG A 44 -6.719 -6.188 1.167 1.00 0.50 O ATOM 648 CB ARG A 44 -9.607 -4.916 2.057 1.00 0.57 C ATOM 649 CG ARG A 44 -10.666 -4.384 3.014 1.00 1.17 C ATOM 650 CD ARG A 44 -12.072 -4.786 2.585 1.00 1.33 C ATOM 651 NE ARG A 44 -12.733 -3.760 1.783 1.00 1.56 N ATOM 652 CZ ARG A 44 -13.776 -3.992 0.985 1.00 1.98 C ATOM 653 NH1 ARG A 44 -14.236 -5.226 0.818 1.00 2.27 N ATOM 654 NH2 ARG A 44 -14.369 -2.984 0.358 1.00 2.72 N ATOM 0 H ARG A 44 -7.317 -3.588 1.626 1.00 0.35 H new ATOM 0 HA ARG A 44 -8.405 -5.277 3.777 1.00 0.43 H new ATOM 0 HB2 ARG A 44 -9.509 -4.229 1.216 1.00 0.57 H new ATOM 0 HB3 ARG A 44 -9.941 -5.871 1.651 1.00 0.57 H new ATOM 0 HG2 ARG A 44 -10.471 -4.761 4.018 1.00 1.17 H new ATOM 0 HG3 ARG A 44 -10.598 -3.297 3.063 1.00 1.17 H new ATOM 0 HD2 ARG A 44 -12.022 -5.712 2.012 1.00 1.33 H new ATOM 0 HD3 ARG A 44 -12.673 -4.991 3.471 1.00 1.33 H new ATOM 0 HE ARG A 44 -12.375 -2.807 1.837 1.00 1.56 H new ATOM 0 HH11 ARG A 44 -13.791 -6.006 1.302 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -15.034 -5.394 0.206 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -14.027 -2.032 0.486 1.00 2.72 H new ATOM 0 HH22 ARG A 44 -15.167 -3.162 -0.252 1.00 2.72 H new ATOM 668 N ASN A 45 -7.835 -7.466 2.701 1.00 0.55 N ATOM 669 CA ASN A 45 -7.085 -8.692 2.509 1.00 0.90 C ATOM 670 C ASN A 45 -8.016 -9.905 2.569 1.00 1.23 C ATOM 671 O ASN A 45 -8.731 -10.069 3.542 1.00 1.89 O ATOM 672 CB ASN A 45 -6.054 -8.775 3.631 1.00 1.76 C ATOM 673 CG ASN A 45 -5.054 -9.904 3.463 1.00 2.34 C ATOM 674 OD1 ASN A 45 -4.797 -10.365 2.355 1.00 3.04 O ATOM 675 ND2 ASN A 45 -4.454 -10.336 4.557 1.00 2.60 N ATOM 0 H ASN A 45 -8.637 -7.573 3.322 1.00 0.55 H new ATOM 0 HA ASN A 45 -6.600 -8.690 1.533 1.00 0.90 H new ATOM 0 HB2 ASN A 45 -5.514 -7.830 3.686 1.00 1.76 H new ATOM 0 HB3 ASN A 45 -6.574 -8.901 4.581 1.00 1.76 H new ATOM 0 HD21 ASN A 45 -3.753 -11.075 4.497 1.00 2.60 H new ATOM 0 HD22 ASN A 45 -4.691 -9.931 5.463 1.00 2.60 H new ATOM 723 N GLN A 49 -8.760 -9.682 6.615 1.00 1.21 N ATOM 724 CA GLN A 49 -9.090 -8.425 5.974 1.00 1.14 C ATOM 725 C GLN A 49 -9.065 -7.200 6.886 1.00 1.20 C ATOM 726 O GLN A 49 -9.787 -6.228 6.658 1.00 1.90 O ATOM 727 CB GLN A 49 -10.434 -8.531 5.365 1.00 1.97 C ATOM 728 CG GLN A 49 -10.474 -7.729 4.121 1.00 2.63 C ATOM 729 CD GLN A 49 -11.322 -8.341 3.050 1.00 3.38 C ATOM 730 OE1 GLN A 49 -10.869 -8.191 1.825 1.00 4.20 O flip ATOM 731 NE2 GLN A 49 -12.338 -8.978 3.318 1.00 3.27 N flip ATOM 0 HA GLN A 49 -8.306 -8.263 5.234 1.00 1.14 H new ATOM 0 HB2 GLN A 49 -10.665 -9.574 5.146 1.00 1.97 H new ATOM 0 HB3 GLN A 49 -11.191 -8.176 6.064 1.00 1.97 H new ATOM 0 HG2 GLN A 49 -10.853 -6.733 4.351 1.00 2.63 H new ATOM 0 HG3 GLN A 49 -9.459 -7.604 3.744 1.00 2.63 H new ATOM 0 HE21 GLN A 49 -12.646 -9.063 4.287 1.00 3.27 H new ATOM 0 HE22 GLN A 49 -12.874 -9.421 2.572 1.00 3.27 H new ATOM 740 N SER A 50 -8.262 -7.256 7.903 1.00 0.86 N ATOM 741 CA SER A 50 -8.077 -6.125 8.800 1.00 0.87 C ATOM 742 C SER A 50 -7.524 -4.928 8.033 1.00 0.98 C ATOM 743 O SER A 50 -6.514 -5.051 7.341 1.00 1.72 O ATOM 744 CB SER A 50 -7.135 -6.510 9.924 1.00 0.91 C ATOM 745 OG SER A 50 -7.504 -7.758 10.487 1.00 1.46 O ATOM 0 H SER A 50 -7.711 -8.079 8.146 1.00 0.86 H new ATOM 0 HA SER A 50 -9.041 -5.848 9.225 1.00 0.87 H new ATOM 0 HB2 SER A 50 -6.114 -6.564 9.546 1.00 0.91 H new ATOM 0 HB3 SER A 50 -7.149 -5.740 10.695 1.00 0.91 H new ATOM 0 HG SER A 50 -6.882 -7.988 11.209 1.00 1.46 H new ATOM 751 N MET A 51 -8.203 -3.782 8.134 1.00 0.51 N ATOM 752 CA MET A 51 -7.753 -2.574 7.447 1.00 0.48 C ATOM 753 C MET A 51 -6.452 -2.077 8.056 1.00 0.44 C ATOM 754 O MET A 51 -6.435 -1.311 9.020 1.00 0.59 O ATOM 755 CB MET A 51 -8.830 -1.473 7.436 1.00 0.57 C ATOM 756 CG MET A 51 -9.818 -1.512 8.593 1.00 1.07 C ATOM 757 SD MET A 51 -9.130 -0.930 10.151 1.00 1.84 S ATOM 758 CE MET A 51 -10.620 -0.825 11.138 1.00 2.35 C ATOM 0 H MET A 51 -9.057 -3.668 8.680 1.00 0.51 H new ATOM 0 HA MET A 51 -7.570 -2.833 6.404 1.00 0.48 H new ATOM 0 HB2 MET A 51 -8.333 -0.503 7.438 1.00 0.57 H new ATOM 0 HB3 MET A 51 -9.388 -1.544 6.502 1.00 0.57 H new ATOM 0 HG2 MET A 51 -10.686 -0.903 8.339 1.00 1.07 H new ATOM 0 HG3 MET A 51 -10.173 -2.535 8.722 1.00 1.07 H new ATOM 0 HE1 MET A 51 -10.369 -0.477 12.140 1.00 2.35 H new ATOM 0 HE2 MET A 51 -11.315 -0.125 10.674 1.00 2.35 H new ATOM 0 HE3 MET A 51 -11.084 -1.809 11.202 1.00 2.35 H new ATOM 768 N ARG A 52 -5.360 -2.532 7.477 1.00 0.35 N ATOM 769 CA ARG A 52 -4.047 -2.328 8.052 1.00 0.36 C ATOM 770 C ARG A 52 -3.261 -1.275 7.315 1.00 0.28 C ATOM 771 O ARG A 52 -3.428 -1.068 6.119 1.00 0.30 O ATOM 772 CB ARG A 52 -3.273 -3.631 8.027 1.00 0.48 C ATOM 773 CG ARG A 52 -1.855 -3.550 8.519 1.00 0.75 C ATOM 774 CD ARG A 52 -1.280 -4.937 8.458 1.00 0.70 C ATOM 775 NE ARG A 52 0.049 -5.057 9.044 1.00 1.42 N ATOM 776 CZ ARG A 52 0.810 -6.146 8.920 1.00 1.76 C ATOM 777 NH1 ARG A 52 0.424 -7.135 8.123 1.00 1.81 N ATOM 778 NH2 ARG A 52 1.959 -6.240 9.574 1.00 2.48 N ATOM 0 H ARG A 52 -5.357 -3.051 6.599 1.00 0.35 H new ATOM 0 HA ARG A 52 -4.189 -1.986 9.077 1.00 0.36 H new ATOM 0 HB2 ARG A 52 -3.808 -4.363 8.632 1.00 0.48 H new ATOM 0 HB3 ARG A 52 -3.264 -4.008 7.004 1.00 0.48 H new ATOM 0 HG2 ARG A 52 -1.273 -2.865 7.902 1.00 0.75 H new ATOM 0 HG3 ARG A 52 -1.824 -3.166 9.538 1.00 0.75 H new ATOM 0 HD2 ARG A 52 -1.955 -5.621 8.972 1.00 0.70 H new ATOM 0 HD3 ARG A 52 -1.236 -5.255 7.416 1.00 0.70 H new ATOM 0 HE ARG A 52 0.416 -4.268 9.576 1.00 1.42 H new ATOM 0 HH11 ARG A 52 -0.453 -7.061 7.607 1.00 1.81 H new ATOM 0 HH12 ARG A 52 1.004 -7.968 8.027 1.00 1.81 H new ATOM 0 HH21 ARG A 52 2.267 -5.477 10.177 1.00 2.48 H new ATOM 0 HH22 ARG A 52 2.536 -7.075 9.474 1.00 2.48 H new ATOM 792 N GLY A 53 -2.421 -0.621 8.065 1.00 0.32 N ATOM 793 CA GLY A 53 -1.505 0.351 7.527 1.00 0.35 C ATOM 794 C GLY A 53 -0.114 -0.183 7.248 1.00 0.32 C ATOM 795 O GLY A 53 0.386 -1.089 7.915 1.00 0.41 O ATOM 0 H GLY A 53 -2.350 -0.746 9.075 1.00 0.32 H new ATOM 0 HA2 GLY A 53 -1.920 0.749 6.601 1.00 0.35 H new ATOM 0 HA3 GLY A 53 -1.427 1.184 8.226 1.00 0.35 H new ATOM 799 N VAL A 54 0.486 0.415 6.239 1.00 0.31 N ATOM 800 CA VAL A 54 1.824 0.093 5.758 1.00 0.31 C ATOM 801 C VAL A 54 2.847 1.087 6.323 1.00 0.28 C ATOM 802 O VAL A 54 2.540 2.266 6.490 1.00 0.29 O ATOM 803 CB VAL A 54 1.857 0.085 4.210 1.00 0.36 C ATOM 804 CG1 VAL A 54 3.275 -0.075 3.684 1.00 0.40 C ATOM 805 CG2 VAL A 54 0.978 -1.038 3.680 1.00 0.43 C ATOM 0 H VAL A 54 0.044 1.166 5.709 1.00 0.31 H new ATOM 0 HA VAL A 54 2.089 -0.905 6.107 1.00 0.31 H new ATOM 0 HB VAL A 54 1.476 1.044 3.860 1.00 0.36 H new ATOM 0 HG11 VAL A 54 3.261 -0.076 2.594 1.00 0.40 H new ATOM 0 HG12 VAL A 54 3.890 0.753 4.038 1.00 0.40 H new ATOM 0 HG13 VAL A 54 3.692 -1.016 4.043 1.00 0.40 H new ATOM 0 HG21 VAL A 54 1.006 -1.038 2.590 1.00 0.43 H new ATOM 0 HG22 VAL A 54 1.345 -1.994 4.052 1.00 0.43 H new ATOM 0 HG23 VAL A 54 -0.048 -0.887 4.017 1.00 0.43 H new ATOM 815 N ARG A 55 4.051 0.599 6.642 1.00 0.30 N ATOM 816 CA ARG A 55 5.043 1.390 7.376 1.00 0.33 C ATOM 817 C ARG A 55 5.539 2.578 6.582 1.00 0.33 C ATOM 818 O ARG A 55 5.831 2.456 5.405 1.00 0.36 O ATOM 819 CB ARG A 55 6.238 0.555 7.760 1.00 0.42 C ATOM 820 CG ARG A 55 5.889 -0.526 8.727 1.00 0.63 C ATOM 821 CD ARG A 55 5.482 -1.777 7.989 1.00 1.67 C ATOM 822 NE ARG A 55 4.908 -2.764 8.890 1.00 2.30 N ATOM 823 CZ ARG A 55 3.693 -2.665 9.434 1.00 3.38 C ATOM 824 NH1 ARG A 55 2.888 -1.661 9.110 1.00 4.11 N ATOM 825 NH2 ARG A 55 3.280 -3.574 10.300 1.00 3.89 N ATOM 0 H ARG A 55 4.362 -0.342 6.402 1.00 0.30 H new ATOM 0 HA ARG A 55 4.529 1.747 8.269 1.00 0.33 H new ATOM 0 HB2 ARG A 55 6.671 0.111 6.864 1.00 0.42 H new ATOM 0 HB3 ARG A 55 7.002 1.198 8.198 1.00 0.42 H new ATOM 0 HG2 ARG A 55 6.743 -0.737 9.371 1.00 0.63 H new ATOM 0 HG3 ARG A 55 5.076 -0.196 9.374 1.00 0.63 H new ATOM 0 HD2 ARG A 55 4.757 -1.525 7.215 1.00 1.67 H new ATOM 0 HD3 ARG A 55 6.350 -2.203 7.486 1.00 1.67 H new ATOM 0 HE ARG A 55 5.469 -3.584 9.121 1.00 2.30 H new ATOM 0 HH11 ARG A 55 3.196 -0.956 8.440 1.00 4.11 H new ATOM 0 HH12 ARG A 55 1.961 -1.594 9.531 1.00 4.11 H new ATOM 0 HH21 ARG A 55 3.890 -4.352 10.553 1.00 3.89 H new ATOM 0 HH22 ARG A 55 2.352 -3.498 10.715 1.00 3.89 H new ATOM 839 N LEU A 56 5.629 3.721 7.225 1.00 0.37 N ATOM 840 CA LEU A 56 6.303 4.858 6.630 1.00 0.38 C ATOM 841 C LEU A 56 7.600 5.134 7.399 1.00 0.40 C ATOM 842 O LEU A 56 7.583 5.492 8.576 1.00 0.48 O ATOM 843 CB LEU A 56 5.367 6.098 6.513 1.00 0.45 C ATOM 844 CG LEU A 56 4.837 6.796 7.792 1.00 0.58 C ATOM 845 CD1 LEU A 56 4.420 5.813 8.878 1.00 1.48 C ATOM 846 CD2 LEU A 56 5.841 7.811 8.322 1.00 1.53 C ATOM 0 H LEU A 56 5.247 3.890 8.155 1.00 0.37 H new ATOM 0 HA LEU A 56 6.573 4.622 5.601 1.00 0.38 H new ATOM 0 HB2 LEU A 56 5.898 6.851 5.930 1.00 0.45 H new ATOM 0 HB3 LEU A 56 4.500 5.795 5.927 1.00 0.45 H new ATOM 0 HG LEU A 56 3.933 7.329 7.498 1.00 0.58 H new ATOM 0 HD11 LEU A 56 4.058 6.363 9.747 1.00 1.48 H new ATOM 0 HD12 LEU A 56 3.626 5.169 8.500 1.00 1.48 H new ATOM 0 HD13 LEU A 56 5.277 5.203 9.165 1.00 1.48 H new ATOM 0 HD21 LEU A 56 5.441 8.284 9.219 1.00 1.53 H new ATOM 0 HD22 LEU A 56 6.776 7.306 8.564 1.00 1.53 H new ATOM 0 HD23 LEU A 56 6.025 8.571 7.563 1.00 1.53 H new ATOM 858 N VAL A 57 8.733 4.887 6.746 1.00 0.37 N ATOM 859 CA VAL A 57 10.026 4.996 7.397 1.00 0.42 C ATOM 860 C VAL A 57 10.968 5.850 6.576 1.00 0.44 C ATOM 861 O VAL A 57 11.283 5.501 5.457 1.00 0.43 O ATOM 862 CB VAL A 57 10.689 3.616 7.577 1.00 0.44 C ATOM 863 CG1 VAL A 57 11.927 3.736 8.453 1.00 0.53 C ATOM 864 CG2 VAL A 57 9.713 2.599 8.152 1.00 0.49 C ATOM 0 H VAL A 57 8.777 4.610 5.765 1.00 0.37 H new ATOM 0 HA VAL A 57 9.846 5.449 8.372 1.00 0.42 H new ATOM 0 HB VAL A 57 10.992 3.256 6.594 1.00 0.44 H new ATOM 0 HG11 VAL A 57 12.385 2.754 8.572 1.00 0.53 H new ATOM 0 HG12 VAL A 57 12.640 4.415 7.985 1.00 0.53 H new ATOM 0 HG13 VAL A 57 11.644 4.125 9.431 1.00 0.53 H new ATOM 0 HG21 VAL A 57 10.214 1.638 8.266 1.00 0.49 H new ATOM 0 HG22 VAL A 57 9.361 2.942 9.125 1.00 0.49 H new ATOM 0 HG23 VAL A 57 8.864 2.488 7.478 1.00 0.49 H new ATOM 874 N GLU A 58 11.407 6.960 7.143 1.00 0.53 N ATOM 875 CA GLU A 58 12.419 7.819 6.522 1.00 0.60 C ATOM 876 C GLU A 58 12.049 8.213 5.084 1.00 0.54 C ATOM 877 O GLU A 58 12.926 8.339 4.228 1.00 0.60 O ATOM 878 CB GLU A 58 13.776 7.109 6.518 1.00 0.71 C ATOM 879 CG GLU A 58 14.088 6.364 7.806 1.00 0.78 C ATOM 880 CD GLU A 58 13.917 7.213 9.048 1.00 1.12 C ATOM 881 OE1 GLU A 58 14.871 7.928 9.429 1.00 1.51 O ATOM 882 OE2 GLU A 58 12.827 7.180 9.648 1.00 1.50 O ATOM 0 H GLU A 58 11.076 7.298 8.047 1.00 0.53 H new ATOM 0 HA GLU A 58 12.471 8.732 7.115 1.00 0.60 H new ATOM 0 HB2 GLU A 58 13.803 6.404 5.687 1.00 0.71 H new ATOM 0 HB3 GLU A 58 14.559 7.845 6.337 1.00 0.71 H new ATOM 0 HG2 GLU A 58 13.439 5.492 7.879 1.00 0.78 H new ATOM 0 HG3 GLU A 58 15.113 5.996 7.765 1.00 0.78 H new ATOM 889 N GLY A 59 10.760 8.416 4.825 1.00 0.49 N ATOM 890 CA GLY A 59 10.319 8.756 3.479 1.00 0.49 C ATOM 891 C GLY A 59 9.920 7.542 2.660 1.00 0.45 C ATOM 892 O GLY A 59 9.502 7.670 1.508 1.00 0.51 O ATOM 0 H GLY A 59 10.014 8.352 5.518 1.00 0.49 H new ATOM 0 HA2 GLY A 59 9.472 9.439 3.542 1.00 0.49 H new ATOM 0 HA3 GLY A 59 11.119 9.288 2.964 1.00 0.49 H new ATOM 896 N ILE A 60 10.038 6.363 3.251 1.00 0.38 N ATOM 897 CA ILE A 60 9.688 5.130 2.570 1.00 0.35 C ATOM 898 C ILE A 60 8.361 4.581 3.052 1.00 0.31 C ATOM 899 O ILE A 60 7.986 4.768 4.202 1.00 0.32 O ATOM 900 CB ILE A 60 10.688 4.023 2.811 1.00 0.35 C ATOM 901 CG1 ILE A 60 12.084 4.569 2.906 1.00 0.43 C ATOM 902 CG2 ILE A 60 10.583 3.028 1.678 1.00 0.38 C ATOM 903 CD1 ILE A 60 13.064 3.530 3.321 1.00 0.49 C ATOM 0 H ILE A 60 10.375 6.236 4.205 1.00 0.38 H new ATOM 0 HA ILE A 60 9.658 5.403 1.515 1.00 0.35 H new ATOM 0 HB ILE A 60 10.466 3.532 3.759 1.00 0.35 H new ATOM 0 HG12 ILE A 60 12.379 4.980 1.940 1.00 0.43 H new ATOM 0 HG13 ILE A 60 12.103 5.391 3.621 1.00 0.43 H new ATOM 0 HG21 ILE A 60 11.298 2.221 1.835 1.00 0.38 H new ATOM 0 HG22 ILE A 60 9.574 2.617 1.647 1.00 0.38 H new ATOM 0 HG23 ILE A 60 10.801 3.527 0.734 1.00 0.38 H new ATOM 0 HD11 ILE A 60 14.060 3.970 3.376 1.00 0.49 H new ATOM 0 HD12 ILE A 60 12.786 3.138 4.299 1.00 0.49 H new ATOM 0 HD13 ILE A 60 13.066 2.720 2.592 1.00 0.49 H new ATOM 915 N LEU A 61 7.661 3.906 2.169 1.00 0.31 N ATOM 916 CA LEU A 61 6.533 3.086 2.566 1.00 0.31 C ATOM 917 C LEU A 61 7.012 1.631 2.550 1.00 0.31 C ATOM 918 O LEU A 61 7.410 1.127 1.501 1.00 0.35 O ATOM 919 CB LEU A 61 5.354 3.298 1.612 1.00 0.37 C ATOM 920 CG LEU A 61 3.989 2.893 2.161 1.00 0.69 C ATOM 921 CD1 LEU A 61 3.571 3.824 3.286 1.00 0.94 C ATOM 922 CD2 LEU A 61 2.947 2.893 1.052 1.00 1.07 C ATOM 0 H LEU A 61 7.852 3.907 1.167 1.00 0.31 H new ATOM 0 HA LEU A 61 6.181 3.356 3.562 1.00 0.31 H new ATOM 0 HB2 LEU A 61 5.318 4.351 1.335 1.00 0.37 H new ATOM 0 HB3 LEU A 61 5.542 2.734 0.698 1.00 0.37 H new ATOM 0 HG LEU A 61 4.064 1.882 2.561 1.00 0.69 H new ATOM 0 HD11 LEU A 61 2.595 3.521 3.666 1.00 0.94 H new ATOM 0 HD12 LEU A 61 4.305 3.775 4.090 1.00 0.94 H new ATOM 0 HD13 LEU A 61 3.512 4.845 2.910 1.00 0.94 H new ATOM 0 HD21 LEU A 61 1.980 2.602 1.462 1.00 1.07 H new ATOM 0 HD22 LEU A 61 2.873 3.892 0.622 1.00 1.07 H new ATOM 0 HD23 LEU A 61 3.241 2.185 0.277 1.00 1.07 H new ATOM 934 N HIS A 62 7.024 0.965 3.698 1.00 0.33 N ATOM 935 CA HIS A 62 7.719 -0.303 3.794 1.00 0.38 C ATOM 936 C HIS A 62 6.768 -1.460 4.063 1.00 0.40 C ATOM 937 O HIS A 62 5.878 -1.383 4.923 1.00 0.38 O ATOM 938 CB HIS A 62 8.812 -0.235 4.865 1.00 0.48 C ATOM 939 CG HIS A 62 9.812 -1.347 4.760 1.00 0.63 C ATOM 940 ND1 HIS A 62 10.679 -1.484 3.695 1.00 1.41 N ATOM 941 CD2 HIS A 62 10.067 -2.389 5.583 1.00 1.33 C ATOM 942 CE1 HIS A 62 11.418 -2.563 3.869 1.00 1.50 C ATOM 943 NE2 HIS A 62 11.067 -3.131 5.006 1.00 1.43 N ATOM 0 H HIS A 62 6.569 1.277 4.556 1.00 0.33 H new ATOM 0 HA HIS A 62 8.186 -0.493 2.827 1.00 0.38 H new ATOM 0 HB2 HIS A 62 9.331 0.720 4.785 1.00 0.48 H new ATOM 0 HB3 HIS A 62 8.348 -0.264 5.851 1.00 0.48 H new ATOM 0 HD2 HIS A 62 9.575 -2.599 6.521 1.00 1.33 H new ATOM 0 HE1 HIS A 62 12.182 -2.921 3.194 1.00 1.50 H new ATOM 0 HE2 HIS A 62 11.473 -3.983 5.394 1.00 1.43 H new ATOM 952 N ALA A 63 6.979 -2.518 3.294 1.00 0.54 N ATOM 953 CA ALA A 63 6.239 -3.762 3.410 1.00 0.58 C ATOM 954 C ALA A 63 6.925 -4.702 4.405 1.00 0.68 C ATOM 955 O ALA A 63 8.079 -4.479 4.768 1.00 0.83 O ATOM 956 CB ALA A 63 6.123 -4.415 2.038 1.00 0.72 C ATOM 0 H ALA A 63 7.684 -2.534 2.557 1.00 0.54 H new ATOM 0 HA ALA A 63 5.238 -3.551 3.785 1.00 0.58 H new ATOM 0 HB1 ALA A 63 5.568 -5.349 2.125 1.00 0.72 H new ATOM 0 HB2 ALA A 63 5.599 -3.743 1.358 1.00 0.72 H new ATOM 0 HB3 ALA A 63 7.120 -4.621 1.648 1.00 0.72 H new ATOM 962 N PRO A 64 6.218 -5.749 4.876 1.00 0.81 N ATOM 963 CA PRO A 64 6.766 -6.747 5.794 1.00 1.14 C ATOM 964 C PRO A 64 7.931 -7.484 5.153 1.00 1.27 C ATOM 965 O PRO A 64 8.149 -7.368 3.945 1.00 1.16 O ATOM 966 CB PRO A 64 5.592 -7.692 6.073 1.00 1.29 C ATOM 967 CG PRO A 64 4.393 -6.922 5.659 1.00 1.16 C ATOM 968 CD PRO A 64 4.852 -6.116 4.488 1.00 0.81 C ATOM 0 HA PRO A 64 7.161 -6.305 6.709 1.00 1.14 H new ATOM 0 HB2 PRO A 64 5.684 -8.619 5.507 1.00 1.29 H new ATOM 0 HB3 PRO A 64 5.544 -7.966 7.127 1.00 1.29 H new ATOM 0 HG2 PRO A 64 3.571 -7.584 5.387 1.00 1.16 H new ATOM 0 HG3 PRO A 64 4.034 -6.282 6.465 1.00 1.16 H new ATOM 0 HD2 PRO A 64 4.833 -6.694 3.564 1.00 0.81 H new ATOM 0 HD3 PRO A 64 4.225 -5.239 4.328 1.00 0.81 H new ATOM 976 N ASP A 65 8.663 -8.234 5.967 1.00 1.69 N ATOM 977 CA ASP A 65 9.950 -8.824 5.585 1.00 2.00 C ATOM 978 C ASP A 65 9.956 -9.402 4.184 1.00 1.88 C ATOM 979 O ASP A 65 10.909 -9.213 3.430 1.00 2.05 O ATOM 980 CB ASP A 65 10.269 -9.976 6.530 1.00 2.48 C ATOM 981 CG ASP A 65 11.014 -9.539 7.775 1.00 2.81 C ATOM 982 OD1 ASP A 65 10.517 -9.785 8.897 1.00 2.88 O ATOM 983 OD2 ASP A 65 12.106 -8.945 7.635 1.00 3.12 O ATOM 0 H ASP A 65 8.381 -8.455 6.922 1.00 1.69 H new ATOM 0 HA ASP A 65 10.680 -8.016 5.633 1.00 2.00 H new ATOM 0 HB2 ASP A 65 9.340 -10.465 6.823 1.00 2.48 H new ATOM 0 HB3 ASP A 65 10.866 -10.718 5.999 1.00 2.48 H new ATOM 988 N ALA A 66 8.898 -10.097 3.838 1.00 1.72 N ATOM 989 CA ALA A 66 8.866 -10.827 2.594 1.00 1.72 C ATOM 990 C ALA A 66 7.689 -10.427 1.726 1.00 1.60 C ATOM 991 O ALA A 66 7.730 -10.597 0.506 1.00 2.08 O ATOM 992 CB ALA A 66 8.804 -12.292 2.910 1.00 2.14 C ATOM 0 H ALA A 66 8.050 -10.172 4.400 1.00 1.72 H new ATOM 0 HA ALA A 66 9.767 -10.593 2.027 1.00 1.72 H new ATOM 0 HB1 ALA A 66 8.779 -12.864 1.982 1.00 2.14 H new ATOM 0 HB2 ALA A 66 9.683 -12.577 3.488 1.00 2.14 H new ATOM 0 HB3 ALA A 66 7.905 -12.501 3.490 1.00 2.14 H new ATOM 998 N GLY A 67 6.636 -9.895 2.334 1.00 1.28 N ATOM 999 CA GLY A 67 5.496 -9.524 1.550 1.00 1.56 C ATOM 1000 C GLY A 67 4.306 -10.452 1.711 1.00 1.12 C ATOM 1001 O GLY A 67 4.453 -11.673 1.758 1.00 1.42 O ATOM 0 H GLY A 67 6.559 -9.720 3.336 1.00 1.28 H new ATOM 0 HA2 GLY A 67 5.194 -8.513 1.823 1.00 1.56 H new ATOM 0 HA3 GLY A 67 5.784 -9.498 0.499 1.00 1.56 H new ATOM 1005 N TRP A 68 3.128 -9.855 1.824 1.00 0.81 N ATOM 1006 CA TRP A 68 1.869 -10.569 1.781 1.00 0.98 C ATOM 1007 C TRP A 68 1.441 -10.859 0.340 1.00 1.13 C ATOM 1008 O TRP A 68 1.785 -11.898 -0.217 1.00 1.83 O ATOM 1009 CB TRP A 68 0.795 -9.740 2.484 1.00 1.31 C ATOM 1010 CG TRP A 68 1.216 -8.324 2.792 1.00 1.41 C ATOM 1011 CD1 TRP A 68 1.107 -7.708 3.998 1.00 1.54 C ATOM 1012 CD2 TRP A 68 1.821 -7.353 1.904 1.00 1.97 C ATOM 1013 NE1 TRP A 68 1.596 -6.433 3.922 1.00 1.59 N ATOM 1014 CE2 TRP A 68 2.038 -6.189 2.655 1.00 2.00 C ATOM 1015 CE3 TRP A 68 2.202 -7.357 0.553 1.00 2.82 C ATOM 1016 CZ2 TRP A 68 2.612 -5.045 2.111 1.00 2.75 C ATOM 1017 CZ3 TRP A 68 2.773 -6.222 0.017 1.00 3.69 C ATOM 1018 CH2 TRP A 68 2.973 -5.080 0.795 1.00 3.62 C ATOM 0 H TRP A 68 3.023 -8.848 1.950 1.00 0.81 H new ATOM 0 HA TRP A 68 1.996 -11.524 2.291 1.00 0.98 H new ATOM 0 HB2 TRP A 68 -0.097 -9.715 1.859 1.00 1.31 H new ATOM 0 HB3 TRP A 68 0.518 -10.236 3.414 1.00 1.31 H new ATOM 0 HD1 TRP A 68 0.694 -8.160 4.888 1.00 1.54 H new ATOM 0 HE1 TRP A 68 1.626 -5.767 4.694 1.00 1.59 H new ATOM 0 HE3 TRP A 68 2.050 -8.235 -0.057 1.00 2.82 H new ATOM 0 HZ2 TRP A 68 2.767 -4.159 2.709 1.00 2.75 H new ATOM 0 HZ3 TRP A 68 3.070 -6.216 -1.021 1.00 3.69 H new ATOM 0 HH2 TRP A 68 3.423 -4.206 0.346 1.00 3.62 H new ATOM 1029 N GLY A 69 0.694 -9.929 -0.259 1.00 0.79 N ATOM 1030 CA GLY A 69 0.330 -10.060 -1.654 1.00 1.13 C ATOM 1031 C GLY A 69 -0.424 -8.891 -2.195 1.00 1.01 C ATOM 1032 O GLY A 69 -1.484 -9.047 -2.796 1.00 1.78 O ATOM 0 H GLY A 69 0.338 -9.091 0.201 1.00 0.79 H new ATOM 0 HA2 GLY A 69 1.236 -10.200 -2.244 1.00 1.13 H new ATOM 0 HA3 GLY A 69 -0.274 -10.959 -1.779 1.00 1.13 H new ATOM 1036 N ASN A 70 0.113 -7.716 -1.910 1.00 0.53 N ATOM 1037 CA ASN A 70 -0.130 -6.515 -2.689 1.00 0.40 C ATOM 1038 C ASN A 70 -1.362 -5.817 -2.197 1.00 0.60 C ATOM 1039 O ASN A 70 -1.304 -4.624 -1.923 1.00 1.48 O ATOM 1040 CB ASN A 70 -0.106 -6.846 -4.199 1.00 0.55 C ATOM 1041 CG ASN A 70 -1.445 -7.061 -4.905 1.00 0.70 C ATOM 1042 OD1 ASN A 70 -2.467 -6.466 -4.594 1.00 1.24 O ATOM 1043 ND2 ASN A 70 -1.431 -7.917 -5.904 1.00 0.75 N ATOM 0 H ASN A 70 0.739 -7.569 -1.119 1.00 0.53 H new ATOM 0 HA ASN A 70 0.673 -5.792 -2.548 1.00 0.40 H new ATOM 0 HB2 ASN A 70 0.416 -6.037 -4.711 1.00 0.55 H new ATOM 0 HB3 ASN A 70 0.492 -7.747 -4.334 1.00 0.55 H new ATOM 0 HD21 ASN A 70 -2.283 -8.095 -6.435 1.00 0.75 H new ATOM 0 HD22 ASN A 70 -0.568 -8.403 -6.147 1.00 0.75 H new ATOM 1050 N LEU A 71 -2.408 -6.594 -1.969 1.00 0.45 N ATOM 1051 CA LEU A 71 -3.651 -6.137 -1.379 1.00 0.40 C ATOM 1052 C LEU A 71 -4.176 -4.874 -1.982 1.00 0.36 C ATOM 1053 O LEU A 71 -3.543 -4.209 -2.789 1.00 0.43 O ATOM 1054 CB LEU A 71 -3.478 -5.909 0.112 1.00 0.39 C ATOM 1055 CG LEU A 71 -2.685 -6.974 0.888 1.00 0.50 C ATOM 1056 CD1 LEU A 71 -2.995 -8.380 0.400 1.00 0.90 C ATOM 1057 CD2 LEU A 71 -1.206 -6.672 0.836 1.00 0.84 C ATOM 0 H LEU A 71 -2.414 -7.588 -2.197 1.00 0.45 H new ATOM 0 HA LEU A 71 -4.373 -6.929 -1.579 1.00 0.40 H new ATOM 0 HB2 LEU A 71 -2.985 -4.947 0.254 1.00 0.39 H new ATOM 0 HB3 LEU A 71 -4.468 -5.828 0.561 1.00 0.39 H new ATOM 0 HG LEU A 71 -3.000 -6.935 1.931 1.00 0.50 H new ATOM 0 HD11 LEU A 71 -2.414 -9.101 0.975 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -4.058 -8.584 0.530 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -2.736 -8.464 -0.655 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -0.659 -7.435 1.390 1.00 0.84 H new ATOM 0 HD22 LEU A 71 -0.872 -6.667 -0.202 1.00 0.84 H new ATOM 0 HD23 LEU A 71 -1.018 -5.695 1.282 1.00 0.84 H new ATOM 1069 N VAL A 72 -5.356 -4.546 -1.548 1.00 0.36 N ATOM 1070 CA VAL A 72 -5.999 -3.349 -1.999 1.00 0.38 C ATOM 1071 C VAL A 72 -5.893 -2.286 -0.914 1.00 0.31 C ATOM 1072 O VAL A 72 -6.571 -2.354 0.116 1.00 0.31 O ATOM 1073 CB VAL A 72 -7.452 -3.657 -2.340 1.00 0.49 C ATOM 1074 CG1 VAL A 72 -8.059 -4.472 -1.217 1.00 0.73 C ATOM 1075 CG2 VAL A 72 -8.212 -2.374 -2.609 1.00 0.82 C ATOM 0 H VAL A 72 -5.895 -5.094 -0.878 1.00 0.36 H new ATOM 0 HA VAL A 72 -5.513 -2.969 -2.898 1.00 0.38 H new ATOM 0 HB VAL A 72 -7.511 -4.249 -3.253 1.00 0.49 H new ATOM 0 HG11 VAL A 72 -9.099 -4.697 -1.452 1.00 0.73 H new ATOM 0 HG12 VAL A 72 -7.503 -5.403 -1.101 1.00 0.73 H new ATOM 0 HG13 VAL A 72 -8.012 -3.903 -0.288 1.00 0.73 H new ATOM 0 HG21 VAL A 72 -9.248 -2.609 -2.851 1.00 0.82 H new ATOM 0 HG22 VAL A 72 -8.181 -1.740 -1.723 1.00 0.82 H new ATOM 0 HG23 VAL A 72 -7.754 -1.848 -3.447 1.00 0.82 H new ATOM 1085 N TYR A 73 -5.017 -1.320 -1.129 1.00 0.29 N ATOM 1086 CA TYR A 73 -4.810 -0.284 -0.138 1.00 0.26 C ATOM 1087 C TYR A 73 -5.870 0.804 -0.191 1.00 0.27 C ATOM 1088 O TYR A 73 -6.417 1.131 -1.240 1.00 0.30 O ATOM 1089 CB TYR A 73 -3.425 0.323 -0.288 1.00 0.28 C ATOM 1090 CG TYR A 73 -2.326 -0.701 -0.192 1.00 0.28 C ATOM 1091 CD1 TYR A 73 -1.154 -0.546 -0.893 1.00 0.33 C ATOM 1092 CD2 TYR A 73 -2.473 -1.828 0.599 1.00 0.27 C ATOM 1093 CE1 TYR A 73 -0.153 -1.481 -0.811 1.00 0.36 C ATOM 1094 CE2 TYR A 73 -1.480 -2.769 0.689 1.00 0.32 C ATOM 1095 CZ TYR A 73 -0.321 -2.590 -0.018 1.00 0.36 C ATOM 1096 OH TYR A 73 0.666 -3.530 0.055 1.00 0.42 O ATOM 0 H TYR A 73 -4.446 -1.233 -1.969 1.00 0.29 H new ATOM 0 HA TYR A 73 -4.895 -0.762 0.838 1.00 0.26 H new ATOM 0 HB2 TYR A 73 -3.358 0.832 -1.250 1.00 0.28 H new ATOM 0 HB3 TYR A 73 -3.279 1.079 0.483 1.00 0.28 H new ATOM 0 HD1 TYR A 73 -1.019 0.325 -1.518 1.00 0.33 H new ATOM 0 HD2 TYR A 73 -3.388 -1.968 1.156 1.00 0.27 H new ATOM 0 HE1 TYR A 73 0.763 -1.346 -1.367 1.00 0.36 H new ATOM 0 HE2 TYR A 73 -1.610 -3.642 1.311 1.00 0.32 H new ATOM 0 HH TYR A 73 1.026 -3.556 0.966 1.00 0.42 H new ATOM 1106 N VAL A 74 -6.157 1.298 0.996 1.00 0.26 N ATOM 1107 CA VAL A 74 -7.159 2.294 1.273 1.00 0.26 C ATOM 1108 C VAL A 74 -6.493 3.623 1.649 1.00 0.33 C ATOM 1109 O VAL A 74 -5.343 3.644 2.108 1.00 0.34 O ATOM 1110 CB VAL A 74 -8.046 1.751 2.413 1.00 0.23 C ATOM 1111 CG1 VAL A 74 -8.680 2.851 3.252 1.00 0.30 C ATOM 1112 CG2 VAL A 74 -9.113 0.860 1.839 1.00 0.26 C ATOM 0 H VAL A 74 -5.667 0.995 1.837 1.00 0.26 H new ATOM 0 HA VAL A 74 -7.775 2.490 0.395 1.00 0.26 H new ATOM 0 HB VAL A 74 -7.398 1.184 3.082 1.00 0.23 H new ATOM 0 HG11 VAL A 74 -9.291 2.404 4.036 1.00 0.30 H new ATOM 0 HG12 VAL A 74 -7.898 3.460 3.705 1.00 0.30 H new ATOM 0 HG13 VAL A 74 -9.306 3.478 2.617 1.00 0.30 H new ATOM 0 HG21 VAL A 74 -9.739 0.477 2.645 1.00 0.26 H new ATOM 0 HG22 VAL A 74 -9.727 1.430 1.142 1.00 0.26 H new ATOM 0 HG23 VAL A 74 -8.647 0.026 1.314 1.00 0.26 H new ATOM 1122 N VAL A 75 -7.247 4.706 1.510 1.00 0.44 N ATOM 1123 CA VAL A 75 -6.701 6.056 1.522 1.00 0.59 C ATOM 1124 C VAL A 75 -6.613 6.628 2.933 1.00 0.59 C ATOM 1125 O VAL A 75 -7.621 6.994 3.547 1.00 0.80 O ATOM 1126 CB VAL A 75 -7.547 7.001 0.625 1.00 0.95 C ATOM 1127 CG1 VAL A 75 -9.005 7.059 1.068 1.00 1.84 C ATOM 1128 CG2 VAL A 75 -6.958 8.388 0.594 1.00 1.70 C ATOM 0 H VAL A 75 -8.259 4.672 1.385 1.00 0.44 H new ATOM 0 HA VAL A 75 -5.689 5.990 1.123 1.00 0.59 H new ATOM 0 HB VAL A 75 -7.522 6.585 -0.382 1.00 0.95 H new ATOM 0 HG11 VAL A 75 -9.558 7.732 0.412 1.00 1.84 H new ATOM 0 HG12 VAL A 75 -9.441 6.061 1.016 1.00 1.84 H new ATOM 0 HG13 VAL A 75 -9.060 7.426 2.093 1.00 1.84 H new ATOM 0 HG21 VAL A 75 -7.570 9.029 -0.041 1.00 1.70 H new ATOM 0 HG22 VAL A 75 -6.933 8.796 1.605 1.00 1.70 H new ATOM 0 HG23 VAL A 75 -5.944 8.344 0.196 1.00 1.70 H new ATOM 1138 N ASN A 76 -5.415 6.659 3.483 1.00 0.48 N ATOM 1139 CA ASN A 76 -5.208 7.358 4.730 1.00 0.54 C ATOM 1140 C ASN A 76 -4.028 8.307 4.588 1.00 0.48 C ATOM 1141 O ASN A 76 -2.974 7.895 4.164 1.00 0.45 O ATOM 1142 CB ASN A 76 -4.955 6.334 5.834 1.00 0.67 C ATOM 1143 CG ASN A 76 -5.255 6.846 7.225 1.00 0.97 C ATOM 1144 OD1 ASN A 76 -6.008 7.803 7.408 1.00 1.88 O ATOM 1145 ND2 ASN A 76 -4.694 6.180 8.219 1.00 1.31 N ATOM 0 H ASN A 76 -4.584 6.215 3.092 1.00 0.48 H new ATOM 0 HA ASN A 76 -6.090 7.944 4.988 1.00 0.54 H new ATOM 0 HB2 ASN A 76 -5.564 5.451 5.643 1.00 0.67 H new ATOM 0 HB3 ASN A 76 -3.913 6.018 5.791 1.00 0.67 H new ATOM 0 HD21 ASN A 76 -4.879 6.453 9.184 1.00 1.31 H new ATOM 0 HD22 ASN A 76 -4.076 5.393 8.021 1.00 1.31 H new ATOM 1152 N TYR A 77 -4.211 9.569 4.917 1.00 0.55 N ATOM 1153 CA TYR A 77 -3.095 10.487 5.083 1.00 0.56 C ATOM 1154 C TYR A 77 -3.411 11.512 6.156 1.00 0.68 C ATOM 1155 O TYR A 77 -2.744 11.495 7.210 1.00 1.36 O ATOM 1156 CB TYR A 77 -2.687 11.180 3.788 1.00 0.55 C ATOM 1157 CG TYR A 77 -3.781 11.408 2.774 1.00 0.58 C ATOM 1158 CD1 TYR A 77 -3.992 10.485 1.767 1.00 0.52 C ATOM 1159 CD2 TYR A 77 -4.577 12.543 2.802 1.00 0.70 C ATOM 1160 CE1 TYR A 77 -4.958 10.676 0.812 1.00 0.58 C ATOM 1161 CE2 TYR A 77 -5.558 12.745 1.851 1.00 0.76 C ATOM 1162 CZ TYR A 77 -5.743 11.808 0.857 1.00 0.70 C ATOM 1163 OH TYR A 77 -6.708 12.011 -0.099 1.00 0.79 O ATOM 1164 OXT TYR A 77 -4.355 12.299 5.965 1.00 1.18 O ATOM 0 H TYR A 77 -5.127 9.988 5.076 1.00 0.55 H new ATOM 0 HA TYR A 77 -2.241 9.885 5.392 1.00 0.56 H new ATOM 0 HB2 TYR A 77 -2.249 12.146 4.041 1.00 0.55 H new ATOM 0 HB3 TYR A 77 -1.903 10.588 3.317 1.00 0.55 H new ATOM 0 HD1 TYR A 77 -3.383 9.594 1.731 1.00 0.52 H new ATOM 0 HD2 TYR A 77 -4.428 13.279 3.578 1.00 0.70 H new ATOM 0 HE1 TYR A 77 -5.102 9.945 0.031 1.00 0.58 H new ATOM 0 HE2 TYR A 77 -6.175 13.630 1.886 1.00 0.76 H new ATOM 0 HH TYR A 77 -6.587 12.896 -0.503 1.00 0.79 H new