USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1099 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 91 GLN : amide:sc=-0.000375 X(o=0.03,f=-0.42) USER MOD Set 1.2: A 94 LYS NZ :NH3+ -179:sc= 0.0305 (180deg=0) USER MOD Set 2.1: A 20 ASN : amide:sc= -1.69! C(o=-5.1!,f=-4.2!) USER MOD Set 2.2: A 24 ASN : amide:sc= 0.0571 K(o=-5.1,f=-1.1) USER MOD Set 2.3: A 30 THR OG1 : rot -165:sc= -0.649 USER MOD Set 2.4: A 32 GLN : amide:sc= -2.84! K(o=-5.1!,f=-0.94) USER MOD Set 3.1: A 3 ASN : amide:sc= 0.481 K(o=-1.8,f=-2.9) USER MOD Set 3.2: A 5 LYS NZ :NH3+ 180:sc= 1.15 (180deg=0.551) USER MOD Set 3.3: A 29 GLN : amide:sc= -3.45! K(o=-1.8!,f=0.59) USER MOD Single : A 1 MET CE :methyl 151:sc= -0.266 (180deg=-0.989) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.366 (180deg=-0.428) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 1.19 (180deg=1.11) USER MOD Single : A 28 TYR OH : rot 81:sc= 0.907 USER MOD Single : A 35 ASN : amide:sc= -4.01! K(o=-4!,f=-0.12) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 137:sc= 0.661 (180deg=-0.285) USER MOD Single : A 55 MET CE :methyl -167:sc= -0.356 (180deg=-0.678) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0279) USER MOD Single : A 60 MET CE :methyl -161:sc= -0.156 (180deg=-0.761) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 1.19 (180deg=1.08) USER MOD Single : A 69 MET CE :methyl 147:sc= -4.63! (180deg=-8.6!) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0.781 (180deg=0.74) USER MOD Single : A 75 ASN : amide:sc= 0.585 K(o=0.58,f=0) USER MOD Single : A 81 MET CE :methyl -164:sc= -0.311 (180deg=-0.797) USER MOD Single : A 82 THR OG1 : rot 52:sc= -1.24 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -62:sc= -0.417 USER MOD Single : A 100 THR OG1 : rot 140:sc= -3.17! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -154:sc= 1.22 (180deg=1.04) USER MOD Single : A 117 LYS NZ :NH3+ -172:sc= 0.551 (180deg=0.475) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -164:sc= -0.0883 (180deg=-0.362) USER MOD Single : A 123 SER OG : rot -154:sc= -0.608 USER MOD Single : A 124 ASN : amide:sc= 0.856 K(o=0.86,f=-4.3!) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.641 K(o=-0.64,f=-0.11) USER MOD Single : A 131 HIS : no HD1:sc= -0.427 K(o=-0.43,f=-1) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.723 13.306 -10.090 1.00 4.15 N ATOM 2 CA MET A 1 7.367 12.721 -9.960 1.00 3.53 C ATOM 3 C MET A 1 6.834 12.891 -8.541 1.00 2.88 C ATOM 4 O MET A 1 5.658 13.194 -8.350 1.00 3.29 O ATOM 5 CB MET A 1 7.373 11.240 -10.378 1.00 3.87 C ATOM 6 CG MET A 1 8.302 10.355 -9.557 1.00 4.48 C ATOM 7 SD MET A 1 8.654 8.776 -10.353 1.00 5.46 S ATOM 8 CE MET A 1 9.532 9.326 -11.816 1.00 6.07 C ATOM 0 H1 MET A 1 9.119 13.061 -11.020 1.00 4.15 H new ATOM 0 H2 MET A 1 8.665 14.340 -10.000 1.00 4.15 H new ATOM 0 H3 MET A 1 9.338 12.928 -9.341 1.00 4.15 H new ATOM 0 HA MET A 1 6.697 13.258 -10.632 1.00 3.53 H new ATOM 0 HB2 MET A 1 6.358 10.850 -10.301 1.00 3.87 H new ATOM 0 HB3 MET A 1 7.661 11.173 -11.427 1.00 3.87 H new ATOM 0 HG2 MET A 1 9.239 10.884 -9.382 1.00 4.48 H new ATOM 0 HG3 MET A 1 7.852 10.172 -8.581 1.00 4.48 H new ATOM 0 HE1 MET A 1 10.236 8.555 -12.129 1.00 6.07 H new ATOM 0 HE2 MET A 1 8.819 9.514 -12.619 1.00 6.07 H new ATOM 0 HE3 MET A 1 10.075 10.244 -11.591 1.00 6.07 H new ATOM 20 N MET A 2 7.710 12.710 -7.554 1.00 2.34 N ATOM 21 CA MET A 2 7.371 12.911 -6.147 1.00 1.89 C ATOM 22 C MET A 2 8.584 12.542 -5.317 1.00 1.54 C ATOM 23 O MET A 2 9.695 12.496 -5.836 1.00 2.12 O ATOM 24 CB MET A 2 6.184 12.032 -5.728 1.00 1.97 C ATOM 25 CG MET A 2 5.253 12.700 -4.728 1.00 2.44 C ATOM 26 SD MET A 2 4.642 14.292 -5.311 1.00 3.03 S ATOM 27 CE MET A 2 3.476 14.698 -4.013 1.00 3.88 C ATOM 0 H MET A 2 8.676 12.420 -7.708 1.00 2.34 H new ATOM 0 HA MET A 2 7.088 13.952 -5.992 1.00 1.89 H new ATOM 0 HB2 MET A 2 5.614 11.759 -6.616 1.00 1.97 H new ATOM 0 HB3 MET A 2 6.563 11.106 -5.296 1.00 1.97 H new ATOM 0 HG2 MET A 2 4.408 12.042 -4.527 1.00 2.44 H new ATOM 0 HG3 MET A 2 5.779 12.840 -3.784 1.00 2.44 H new ATOM 0 HE1 MET A 2 3.012 15.660 -4.229 1.00 3.88 H new ATOM 0 HE2 MET A 2 2.707 13.927 -3.961 1.00 3.88 H new ATOM 0 HE3 MET A 2 3.999 14.754 -3.058 1.00 3.88 H new ATOM 37 N ASN A 3 8.388 12.296 -4.038 1.00 0.88 N ATOM 38 CA ASN A 3 9.433 11.689 -3.235 1.00 0.71 C ATOM 39 C ASN A 3 9.249 10.180 -3.272 1.00 0.66 C ATOM 40 O ASN A 3 9.986 9.475 -3.954 1.00 1.42 O ATOM 41 CB ASN A 3 9.406 12.176 -1.777 1.00 0.84 C ATOM 42 CG ASN A 3 8.400 13.279 -1.525 1.00 1.38 C ATOM 43 OD1 ASN A 3 7.228 13.010 -1.243 1.00 2.35 O ATOM 44 ND2 ASN A 3 8.849 14.520 -1.605 1.00 1.61 N ATOM 0 H ASN A 3 7.525 12.504 -3.535 1.00 0.88 H new ATOM 0 HA ASN A 3 10.398 11.978 -3.651 1.00 0.71 H new ATOM 0 HB2 ASN A 3 9.179 11.332 -1.125 1.00 0.84 H new ATOM 0 HB3 ASN A 3 10.399 12.532 -1.503 1.00 0.84 H new ATOM 0 HD21 ASN A 3 8.219 15.303 -1.430 1.00 1.61 H new ATOM 0 HD22 ASN A 3 9.826 14.695 -1.841 1.00 1.61 H new ATOM 51 N GLU A 4 8.209 9.724 -2.573 1.00 0.57 N ATOM 52 CA GLU A 4 7.885 8.302 -2.434 1.00 0.38 C ATOM 53 C GLU A 4 6.815 8.184 -1.358 1.00 0.32 C ATOM 54 O GLU A 4 7.010 8.669 -0.256 1.00 0.50 O ATOM 55 CB GLU A 4 9.145 7.512 -2.040 1.00 0.52 C ATOM 56 CG GLU A 4 8.959 6.026 -1.955 1.00 0.64 C ATOM 57 CD GLU A 4 9.157 5.354 -3.290 1.00 1.56 C ATOM 58 OE1 GLU A 4 8.336 5.597 -4.199 1.00 1.85 O ATOM 59 OE2 GLU A 4 10.130 4.589 -3.422 1.00 2.30 O ATOM 0 H GLU A 4 7.560 10.338 -2.081 1.00 0.57 H new ATOM 0 HA GLU A 4 7.520 7.891 -3.375 1.00 0.38 H new ATOM 0 HB2 GLU A 4 9.930 7.724 -2.765 1.00 0.52 H new ATOM 0 HB3 GLU A 4 9.496 7.875 -1.074 1.00 0.52 H new ATOM 0 HG2 GLU A 4 9.664 5.613 -1.233 1.00 0.64 H new ATOM 0 HG3 GLU A 4 7.958 5.807 -1.584 1.00 0.64 H new ATOM 66 N LYS A 5 5.676 7.580 -1.660 1.00 0.21 N ATOM 67 CA LYS A 5 4.537 7.704 -0.751 1.00 0.14 C ATOM 68 C LYS A 5 3.598 6.508 -0.762 1.00 0.11 C ATOM 69 O LYS A 5 3.226 5.991 -1.822 1.00 0.12 O ATOM 70 CB LYS A 5 3.752 8.943 -1.121 1.00 0.16 C ATOM 71 CG LYS A 5 2.993 9.502 0.051 1.00 0.16 C ATOM 72 CD LYS A 5 3.105 11.003 0.118 1.00 0.30 C ATOM 73 CE LYS A 5 4.492 11.501 -0.218 1.00 0.54 C ATOM 74 NZ LYS A 5 4.637 12.950 0.083 1.00 0.80 N ATOM 0 H LYS A 5 5.513 7.017 -2.495 1.00 0.21 H new ATOM 0 HA LYS A 5 4.949 7.764 0.256 1.00 0.14 H new ATOM 0 HB2 LYS A 5 4.433 9.702 -1.507 1.00 0.16 H new ATOM 0 HB3 LYS A 5 3.054 8.704 -1.923 1.00 0.16 H new ATOM 0 HG2 LYS A 5 1.943 9.218 -0.025 1.00 0.16 H new ATOM 0 HG3 LYS A 5 3.375 9.066 0.974 1.00 0.16 H new ATOM 0 HD2 LYS A 5 2.387 11.448 -0.571 1.00 0.30 H new ATOM 0 HD3 LYS A 5 2.836 11.339 1.119 1.00 0.30 H new ATOM 0 HE2 LYS A 5 5.231 10.935 0.349 1.00 0.54 H new ATOM 0 HE3 LYS A 5 4.697 11.325 -1.274 1.00 0.54 H new ATOM 0 HZ1 LYS A 5 5.600 13.260 -0.159 1.00 0.80 H new ATOM 0 HZ2 LYS A 5 3.948 13.492 -0.477 1.00 0.80 H new ATOM 0 HZ3 LYS A 5 4.465 13.113 1.096 1.00 0.80 H new ATOM 88 N ILE A 6 3.146 6.156 0.442 1.00 0.10 N ATOM 89 CA ILE A 6 2.306 4.994 0.663 1.00 0.09 C ATOM 90 C ILE A 6 1.199 5.288 1.672 1.00 0.08 C ATOM 91 O ILE A 6 1.307 6.181 2.502 1.00 0.08 O ATOM 92 CB ILE A 6 3.159 3.796 1.132 1.00 0.10 C ATOM 93 CG1 ILE A 6 3.599 2.981 -0.070 1.00 0.14 C ATOM 94 CG2 ILE A 6 2.435 2.919 2.152 1.00 0.10 C ATOM 95 CD1 ILE A 6 4.740 2.064 0.245 1.00 0.20 C ATOM 0 H ILE A 6 3.358 6.677 1.293 1.00 0.10 H new ATOM 0 HA ILE A 6 1.832 4.740 -0.285 1.00 0.09 H new ATOM 0 HB ILE A 6 4.036 4.195 1.642 1.00 0.10 H new ATOM 0 HG12 ILE A 6 2.756 2.394 -0.435 1.00 0.14 H new ATOM 0 HG13 ILE A 6 3.891 3.655 -0.875 1.00 0.14 H new ATOM 0 HG21 ILE A 6 3.082 2.093 2.446 1.00 0.10 H new ATOM 0 HG22 ILE A 6 2.184 3.514 3.030 1.00 0.10 H new ATOM 0 HG23 ILE A 6 1.521 2.524 1.709 1.00 0.10 H new ATOM 0 HD11 ILE A 6 5.015 1.505 -0.649 1.00 0.20 H new ATOM 0 HD12 ILE A 6 5.595 2.650 0.584 1.00 0.20 H new ATOM 0 HD13 ILE A 6 4.442 1.369 1.030 1.00 0.20 H new ATOM 107 N LEU A 7 0.128 4.537 1.562 1.00 0.09 N ATOM 108 CA LEU A 7 -1.009 4.654 2.440 1.00 0.08 C ATOM 109 C LEU A 7 -1.431 3.249 2.831 1.00 0.09 C ATOM 110 O LEU A 7 -1.781 2.458 1.970 1.00 0.17 O ATOM 111 CB LEU A 7 -2.115 5.337 1.668 1.00 0.10 C ATOM 112 CG LEU A 7 -3.152 6.065 2.489 1.00 0.10 C ATOM 113 CD1 LEU A 7 -4.081 6.813 1.559 1.00 0.12 C ATOM 114 CD2 LEU A 7 -3.941 5.112 3.367 1.00 0.12 C ATOM 0 H LEU A 7 0.022 3.816 0.848 1.00 0.09 H new ATOM 0 HA LEU A 7 -0.780 5.231 3.336 1.00 0.08 H new ATOM 0 HB2 LEU A 7 -1.662 6.050 0.979 1.00 0.10 H new ATOM 0 HB3 LEU A 7 -2.623 4.587 1.062 1.00 0.10 H new ATOM 0 HG LEU A 7 -2.642 6.766 3.150 1.00 0.10 H new ATOM 0 HD11 LEU A 7 -4.833 7.342 2.144 1.00 0.12 H new ATOM 0 HD12 LEU A 7 -3.508 7.530 0.972 1.00 0.12 H new ATOM 0 HD13 LEU A 7 -4.572 6.107 0.890 1.00 0.12 H new ATOM 0 HD21 LEU A 7 -4.677 5.673 3.943 1.00 0.12 H new ATOM 0 HD22 LEU A 7 -4.451 4.379 2.742 1.00 0.12 H new ATOM 0 HD23 LEU A 7 -3.262 4.599 4.048 1.00 0.12 H new ATOM 126 N ILE A 8 -1.377 2.918 4.100 1.00 0.09 N ATOM 127 CA ILE A 8 -1.710 1.563 4.513 1.00 0.10 C ATOM 128 C ILE A 8 -3.093 1.532 5.136 1.00 0.11 C ATOM 129 O ILE A 8 -3.256 1.911 6.289 1.00 0.13 O ATOM 130 CB ILE A 8 -0.712 0.967 5.533 1.00 0.12 C ATOM 131 CG1 ILE A 8 0.741 1.375 5.241 1.00 0.14 C ATOM 132 CG2 ILE A 8 -0.830 -0.547 5.544 1.00 0.15 C ATOM 133 CD1 ILE A 8 1.086 2.742 5.763 1.00 0.22 C ATOM 0 H ILE A 8 -1.112 3.550 4.856 1.00 0.09 H new ATOM 0 HA ILE A 8 -1.667 0.958 3.607 1.00 0.10 H new ATOM 0 HB ILE A 8 -0.970 1.370 6.512 1.00 0.12 H new ATOM 0 HG12 ILE A 8 1.414 0.642 5.686 1.00 0.14 H new ATOM 0 HG13 ILE A 8 0.910 1.351 4.164 1.00 0.14 H new ATOM 0 HG21 ILE A 8 -0.125 -0.962 6.264 1.00 0.15 H new ATOM 0 HG22 ILE A 8 -1.844 -0.831 5.825 1.00 0.15 H new ATOM 0 HG23 ILE A 8 -0.606 -0.937 4.551 1.00 0.15 H new ATOM 0 HD11 ILE A 8 2.125 2.971 5.525 1.00 0.22 H new ATOM 0 HD12 ILE A 8 0.436 3.483 5.299 1.00 0.22 H new ATOM 0 HD13 ILE A 8 0.948 2.764 6.844 1.00 0.22 H new ATOM 145 N VAL A 9 -4.082 1.097 4.375 1.00 0.17 N ATOM 146 CA VAL A 9 -5.429 0.942 4.893 1.00 0.18 C ATOM 147 C VAL A 9 -5.553 -0.400 5.594 1.00 0.18 C ATOM 148 O VAL A 9 -5.831 -1.403 4.956 1.00 0.28 O ATOM 149 CB VAL A 9 -6.501 1.003 3.785 1.00 0.19 C ATOM 150 CG1 VAL A 9 -7.902 0.900 4.382 1.00 0.23 C ATOM 151 CG2 VAL A 9 -6.351 2.274 2.970 1.00 0.26 C ATOM 0 H VAL A 9 -3.976 0.844 3.393 1.00 0.17 H new ATOM 0 HA VAL A 9 -5.599 1.769 5.582 1.00 0.18 H new ATOM 0 HB VAL A 9 -6.356 0.152 3.119 1.00 0.19 H new ATOM 0 HG11 VAL A 9 -8.642 0.945 3.583 1.00 0.23 H new ATOM 0 HG12 VAL A 9 -8.001 -0.045 4.916 1.00 0.23 H new ATOM 0 HG13 VAL A 9 -8.064 1.726 5.074 1.00 0.23 H new ATOM 0 HG21 VAL A 9 -7.115 2.300 2.193 1.00 0.26 H new ATOM 0 HG22 VAL A 9 -6.466 3.140 3.622 1.00 0.26 H new ATOM 0 HG23 VAL A 9 -5.364 2.296 2.509 1.00 0.26 H new ATOM 161 N ASP A 10 -5.294 -0.421 6.886 1.00 0.17 N ATOM 162 CA ASP A 10 -5.431 -1.641 7.672 1.00 0.18 C ATOM 163 C ASP A 10 -5.966 -1.323 9.073 1.00 0.17 C ATOM 164 O ASP A 10 -5.622 -0.299 9.654 1.00 0.32 O ATOM 165 CB ASP A 10 -4.082 -2.352 7.758 1.00 0.30 C ATOM 166 CG ASP A 10 -4.046 -3.396 8.846 1.00 1.02 C ATOM 167 OD1 ASP A 10 -4.961 -4.240 8.896 1.00 1.26 O ATOM 168 OD2 ASP A 10 -3.122 -3.343 9.677 1.00 1.82 O ATOM 0 H ASP A 10 -4.987 0.392 7.419 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.147 -2.300 7.181 1.00 0.18 H new ATOM 0 HB2 ASP A 10 -3.862 -2.823 6.800 1.00 0.30 H new ATOM 0 HB3 ASP A 10 -3.298 -1.616 7.939 1.00 0.30 H new ATOM 173 N ASP A 11 -6.812 -2.188 9.609 1.00 0.29 N ATOM 174 CA ASP A 11 -7.396 -1.975 10.939 1.00 0.31 C ATOM 175 C ASP A 11 -6.697 -2.845 11.965 1.00 0.37 C ATOM 176 O ASP A 11 -6.569 -2.468 13.135 1.00 0.46 O ATOM 177 CB ASP A 11 -8.893 -2.276 10.942 1.00 0.36 C ATOM 178 CG ASP A 11 -9.520 -2.218 12.322 1.00 0.41 C ATOM 179 OD1 ASP A 11 -9.894 -1.110 12.758 1.00 0.44 O ATOM 180 OD2 ASP A 11 -9.622 -3.272 12.984 1.00 0.51 O ATOM 0 H ASP A 11 -7.115 -3.047 9.149 1.00 0.29 H new ATOM 0 HA ASP A 11 -7.257 -0.926 11.199 1.00 0.31 H new ATOM 0 HB2 ASP A 11 -9.400 -1.563 10.291 1.00 0.36 H new ATOM 0 HB3 ASP A 11 -9.057 -3.267 10.519 1.00 0.36 H new ATOM 185 N GLN A 12 -6.239 -4.007 11.521 1.00 0.43 N ATOM 186 CA GLN A 12 -5.411 -4.861 12.350 1.00 0.54 C ATOM 187 C GLN A 12 -4.005 -4.301 12.319 1.00 0.49 C ATOM 188 O GLN A 12 -3.076 -4.916 11.794 1.00 0.68 O ATOM 189 CB GLN A 12 -5.476 -6.317 11.859 1.00 0.79 C ATOM 190 CG GLN A 12 -6.033 -6.458 10.444 1.00 0.71 C ATOM 191 CD GLN A 12 -6.191 -7.897 9.992 1.00 1.24 C ATOM 192 OE1 GLN A 12 -6.419 -8.797 10.800 1.00 1.80 O ATOM 193 NE2 GLN A 12 -6.082 -8.121 8.690 1.00 2.07 N ATOM 0 H GLN A 12 -6.429 -4.377 10.590 1.00 0.43 H new ATOM 0 HA GLN A 12 -5.767 -4.875 13.380 1.00 0.54 H new ATOM 0 HB2 GLN A 12 -4.475 -6.748 11.892 1.00 0.79 H new ATOM 0 HB3 GLN A 12 -6.095 -6.896 12.544 1.00 0.79 H new ATOM 0 HG2 GLN A 12 -7.002 -5.962 10.393 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -5.373 -5.939 9.750 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -5.892 -7.347 8.053 1.00 2.07 H new ATOM 0 HE22 GLN A 12 -6.188 -9.067 8.325 1.00 2.07 H new ATOM 202 N TYR A 13 -3.889 -3.152 12.989 1.00 0.37 N ATOM 203 CA TYR A 13 -2.808 -2.179 12.798 1.00 0.31 C ATOM 204 C TYR A 13 -1.402 -2.751 12.888 1.00 0.32 C ATOM 205 O TYR A 13 -0.450 -2.068 12.503 1.00 0.32 O ATOM 206 CB TYR A 13 -2.959 -1.015 13.786 1.00 0.35 C ATOM 207 CG TYR A 13 -2.812 -1.403 15.242 1.00 0.53 C ATOM 208 CD1 TYR A 13 -3.891 -1.911 15.958 1.00 0.86 C ATOM 209 CD2 TYR A 13 -1.593 -1.275 15.897 1.00 0.70 C ATOM 210 CE1 TYR A 13 -3.758 -2.276 17.282 1.00 1.12 C ATOM 211 CE2 TYR A 13 -1.453 -1.642 17.220 1.00 0.98 C ATOM 212 CZ TYR A 13 -2.546 -2.090 17.922 1.00 1.14 C ATOM 213 OH TYR A 13 -2.402 -2.514 19.225 1.00 1.44 O ATOM 0 H TYR A 13 -4.562 -2.864 13.699 1.00 0.37 H new ATOM 0 HA TYR A 13 -2.918 -1.833 11.770 1.00 0.31 H new ATOM 0 HB2 TYR A 13 -2.214 -0.255 13.549 1.00 0.35 H new ATOM 0 HB3 TYR A 13 -3.938 -0.558 13.642 1.00 0.35 H new ATOM 0 HD1 TYR A 13 -4.848 -2.021 15.470 1.00 0.86 H new ATOM 0 HD2 TYR A 13 -0.741 -0.882 15.362 1.00 0.70 H new ATOM 0 HE1 TYR A 13 -4.594 -2.704 17.815 1.00 1.12 H new ATOM 0 HE2 TYR A 13 -0.488 -1.577 17.702 1.00 0.98 H new ATOM 0 HH TYR A 13 -1.494 -2.315 19.535 1.00 1.44 H new ATOM 223 N GLY A 14 -1.257 -3.957 13.421 1.00 0.35 N ATOM 224 CA GLY A 14 0.014 -4.635 13.332 1.00 0.38 C ATOM 225 C GLY A 14 0.533 -4.595 11.911 1.00 0.35 C ATOM 226 O GLY A 14 1.548 -3.969 11.640 1.00 0.36 O ATOM 0 H GLY A 14 -1.991 -4.471 13.908 1.00 0.35 H new ATOM 0 HA2 GLY A 14 0.733 -4.164 14.002 1.00 0.38 H new ATOM 0 HA3 GLY A 14 -0.095 -5.670 13.658 1.00 0.38 H new ATOM 230 N ILE A 15 -0.226 -5.177 10.992 1.00 0.37 N ATOM 231 CA ILE A 15 0.138 -5.197 9.578 1.00 0.40 C ATOM 232 C ILE A 15 0.378 -3.790 9.056 1.00 0.30 C ATOM 233 O ILE A 15 1.223 -3.564 8.188 1.00 0.29 O ATOM 234 CB ILE A 15 -0.990 -5.830 8.744 1.00 0.54 C ATOM 235 CG1 ILE A 15 -1.324 -7.227 9.263 1.00 0.80 C ATOM 236 CG2 ILE A 15 -0.624 -5.871 7.269 1.00 0.79 C ATOM 237 CD1 ILE A 15 -2.763 -7.379 9.678 1.00 0.75 C ATOM 0 H ILE A 15 -1.107 -5.647 11.202 1.00 0.37 H new ATOM 0 HA ILE A 15 1.052 -5.783 9.486 1.00 0.40 H new ATOM 0 HB ILE A 15 -1.878 -5.206 8.848 1.00 0.54 H new ATOM 0 HG12 ILE A 15 -1.097 -7.959 8.488 1.00 0.80 H new ATOM 0 HG13 ILE A 15 -0.682 -7.454 10.114 1.00 0.80 H new ATOM 0 HG21 ILE A 15 -1.439 -6.323 6.704 1.00 0.79 H new ATOM 0 HG22 ILE A 15 -0.452 -4.857 6.909 1.00 0.79 H new ATOM 0 HG23 ILE A 15 0.282 -6.462 7.135 1.00 0.79 H new ATOM 0 HD11 ILE A 15 -2.933 -8.394 10.037 1.00 0.75 H new ATOM 0 HD12 ILE A 15 -2.989 -6.670 10.475 1.00 0.75 H new ATOM 0 HD13 ILE A 15 -3.411 -7.183 8.824 1.00 0.75 H new ATOM 249 N ARG A 16 -0.324 -2.843 9.636 1.00 0.25 N ATOM 250 CA ARG A 16 -0.386 -1.510 9.087 1.00 0.19 C ATOM 251 C ARG A 16 0.889 -0.756 9.378 1.00 0.20 C ATOM 252 O ARG A 16 1.483 -0.183 8.479 1.00 0.22 O ATOM 253 CB ARG A 16 -1.574 -0.747 9.651 1.00 0.16 C ATOM 254 CG ARG A 16 -2.130 0.266 8.678 1.00 0.14 C ATOM 255 CD ARG A 16 -2.610 1.504 9.389 1.00 0.12 C ATOM 256 NE ARG A 16 -3.681 1.226 10.336 1.00 0.16 N ATOM 257 CZ ARG A 16 -3.795 1.790 11.536 1.00 0.25 C ATOM 258 NH1 ARG A 16 -2.889 2.660 11.965 1.00 0.38 N ATOM 259 NH2 ARG A 16 -4.813 1.472 12.322 1.00 0.31 N ATOM 0 H ARG A 16 -0.862 -2.974 10.492 1.00 0.25 H new ATOM 0 HA ARG A 16 -0.507 -1.599 8.007 1.00 0.19 H new ATOM 0 HB2 ARG A 16 -2.359 -1.453 9.922 1.00 0.16 H new ATOM 0 HB3 ARG A 16 -1.273 -0.238 10.567 1.00 0.16 H new ATOM 0 HG2 ARG A 16 -1.362 0.536 7.953 1.00 0.14 H new ATOM 0 HG3 ARG A 16 -2.954 -0.178 8.120 1.00 0.14 H new ATOM 0 HD2 ARG A 16 -1.774 1.963 9.916 1.00 0.12 H new ATOM 0 HD3 ARG A 16 -2.959 2.229 8.653 1.00 0.12 H new ATOM 0 HE ARG A 16 -4.394 0.551 10.060 1.00 0.16 H new ATOM 0 HH11 ARG A 16 -2.095 2.903 11.373 1.00 0.38 H new ATOM 0 HH12 ARG A 16 -2.987 3.086 12.887 1.00 0.38 H new ATOM 0 HH21 ARG A 16 -5.508 0.795 12.007 1.00 0.31 H new ATOM 0 HH22 ARG A 16 -4.901 1.904 13.242 1.00 0.31 H new ATOM 273 N ILE A 17 1.307 -0.772 10.635 1.00 0.22 N ATOM 274 CA ILE A 17 2.544 -0.119 11.041 1.00 0.25 C ATOM 275 C ILE A 17 3.730 -0.964 10.613 1.00 0.29 C ATOM 276 O ILE A 17 4.831 -0.458 10.429 1.00 0.31 O ATOM 277 CB ILE A 17 2.595 0.115 12.565 1.00 0.31 C ATOM 278 CG1 ILE A 17 2.493 -1.218 13.314 1.00 0.35 C ATOM 279 CG2 ILE A 17 1.478 1.059 12.990 1.00 0.30 C ATOM 280 CD1 ILE A 17 2.671 -1.095 14.813 1.00 0.56 C ATOM 0 H ILE A 17 0.806 -1.232 11.395 1.00 0.22 H new ATOM 0 HA ILE A 17 2.584 0.855 10.553 1.00 0.25 H new ATOM 0 HB ILE A 17 3.550 0.576 12.817 1.00 0.31 H new ATOM 0 HG12 ILE A 17 1.520 -1.665 13.109 1.00 0.35 H new ATOM 0 HG13 ILE A 17 3.247 -1.902 12.923 1.00 0.35 H new ATOM 0 HG21 ILE A 17 1.525 1.216 14.068 1.00 0.30 H new ATOM 0 HG22 ILE A 17 1.595 2.014 12.479 1.00 0.30 H new ATOM 0 HG23 ILE A 17 0.514 0.623 12.728 1.00 0.30 H new ATOM 0 HD11 ILE A 17 2.585 -2.080 15.272 1.00 0.56 H new ATOM 0 HD12 ILE A 17 3.655 -0.678 15.030 1.00 0.56 H new ATOM 0 HD13 ILE A 17 1.901 -0.438 15.218 1.00 0.56 H new ATOM 292 N LEU A 18 3.481 -2.259 10.465 1.00 0.32 N ATOM 293 CA LEU A 18 4.453 -3.171 9.883 1.00 0.37 C ATOM 294 C LEU A 18 4.833 -2.686 8.489 1.00 0.33 C ATOM 295 O LEU A 18 5.967 -2.274 8.258 1.00 0.32 O ATOM 296 CB LEU A 18 3.864 -4.588 9.853 1.00 0.44 C ATOM 297 CG LEU A 18 4.319 -5.502 8.714 1.00 0.49 C ATOM 298 CD1 LEU A 18 5.806 -5.804 8.809 1.00 0.53 C ATOM 299 CD2 LEU A 18 3.511 -6.789 8.727 1.00 0.58 C ATOM 0 H LEU A 18 2.606 -2.703 10.743 1.00 0.32 H new ATOM 0 HA LEU A 18 5.360 -3.196 10.487 1.00 0.37 H new ATOM 0 HB2 LEU A 18 4.106 -5.076 10.797 1.00 0.44 H new ATOM 0 HB3 LEU A 18 2.778 -4.503 9.807 1.00 0.44 H new ATOM 0 HG LEU A 18 4.147 -4.984 7.771 1.00 0.49 H new ATOM 0 HD11 LEU A 18 6.098 -6.456 7.986 1.00 0.53 H new ATOM 0 HD12 LEU A 18 6.371 -4.873 8.753 1.00 0.53 H new ATOM 0 HD13 LEU A 18 6.017 -6.300 9.757 1.00 0.53 H new ATOM 0 HD21 LEU A 18 3.841 -7.434 7.913 1.00 0.58 H new ATOM 0 HD22 LEU A 18 3.658 -7.301 9.678 1.00 0.58 H new ATOM 0 HD23 LEU A 18 2.454 -6.556 8.599 1.00 0.58 H new ATOM 311 N LEU A 19 3.866 -2.699 7.581 1.00 0.30 N ATOM 312 CA LEU A 19 4.071 -2.192 6.230 1.00 0.27 C ATOM 313 C LEU A 19 4.503 -0.730 6.283 1.00 0.22 C ATOM 314 O LEU A 19 5.435 -0.322 5.588 1.00 0.22 O ATOM 315 CB LEU A 19 2.771 -2.291 5.431 1.00 0.31 C ATOM 316 CG LEU A 19 2.143 -3.679 5.346 1.00 0.57 C ATOM 317 CD1 LEU A 19 0.770 -3.580 4.703 1.00 1.23 C ATOM 318 CD2 LEU A 19 3.035 -4.626 4.562 1.00 1.15 C ATOM 0 H LEU A 19 2.927 -3.057 7.757 1.00 0.30 H new ATOM 0 HA LEU A 19 4.846 -2.789 5.749 1.00 0.27 H new ATOM 0 HB2 LEU A 19 2.043 -1.611 5.873 1.00 0.31 H new ATOM 0 HB3 LEU A 19 2.963 -1.938 4.418 1.00 0.31 H new ATOM 0 HG LEU A 19 2.034 -4.080 6.354 1.00 0.57 H new ATOM 0 HD11 LEU A 19 0.324 -4.573 4.643 1.00 1.23 H new ATOM 0 HD12 LEU A 19 0.133 -2.931 5.304 1.00 1.23 H new ATOM 0 HD13 LEU A 19 0.867 -3.165 3.700 1.00 1.23 H new ATOM 0 HD21 LEU A 19 2.568 -5.610 4.514 1.00 1.15 H new ATOM 0 HD22 LEU A 19 3.175 -4.241 3.552 1.00 1.15 H new ATOM 0 HD23 LEU A 19 4.003 -4.708 5.057 1.00 1.15 H new ATOM 330 N ASN A 20 3.820 0.037 7.134 1.00 0.20 N ATOM 331 CA ASN A 20 4.065 1.469 7.281 1.00 0.19 C ATOM 332 C ASN A 20 5.541 1.726 7.487 1.00 0.21 C ATOM 333 O ASN A 20 6.197 2.301 6.625 1.00 0.22 O ATOM 334 CB ASN A 20 3.277 2.024 8.479 1.00 0.23 C ATOM 335 CG ASN A 20 3.378 3.528 8.646 1.00 0.32 C ATOM 336 OD1 ASN A 20 2.547 4.273 8.134 1.00 0.94 O ATOM 337 ND2 ASN A 20 4.365 3.984 9.400 1.00 0.50 N ATOM 0 H ASN A 20 3.081 -0.319 7.740 1.00 0.20 H new ATOM 0 HA ASN A 20 3.735 1.971 6.372 1.00 0.19 H new ATOM 0 HB2 ASN A 20 2.228 1.752 8.367 1.00 0.23 H new ATOM 0 HB3 ASN A 20 3.635 1.544 9.389 1.00 0.23 H new ATOM 0 HD21 ASN A 20 4.454 4.985 9.573 1.00 0.50 H new ATOM 0 HD22 ASN A 20 5.037 3.334 9.809 1.00 0.50 H new ATOM 344 N GLU A 21 6.056 1.265 8.614 1.00 0.24 N ATOM 345 CA GLU A 21 7.447 1.477 8.966 1.00 0.29 C ATOM 346 C GLU A 21 8.383 0.878 7.921 1.00 0.29 C ATOM 347 O GLU A 21 9.397 1.481 7.592 1.00 0.31 O ATOM 348 CB GLU A 21 7.742 0.866 10.335 1.00 0.35 C ATOM 349 CG GLU A 21 9.021 1.384 10.966 1.00 0.92 C ATOM 350 CD GLU A 21 8.945 2.860 11.296 1.00 1.79 C ATOM 351 OE1 GLU A 21 9.235 3.691 10.411 1.00 2.46 O ATOM 352 OE2 GLU A 21 8.598 3.193 12.448 1.00 2.40 O ATOM 0 H GLU A 21 5.525 0.737 9.306 1.00 0.24 H new ATOM 0 HA GLU A 21 7.622 2.552 9.002 1.00 0.29 H new ATOM 0 HB2 GLU A 21 6.907 1.073 11.004 1.00 0.35 H new ATOM 0 HB3 GLU A 21 7.809 -0.217 10.234 1.00 0.35 H new ATOM 0 HG2 GLU A 21 9.228 0.821 11.876 1.00 0.92 H new ATOM 0 HG3 GLU A 21 9.855 1.209 10.286 1.00 0.92 H new ATOM 359 N VAL A 22 8.038 -0.297 7.390 1.00 0.28 N ATOM 360 CA VAL A 22 8.892 -0.967 6.411 1.00 0.30 C ATOM 361 C VAL A 22 9.203 -0.064 5.217 1.00 0.28 C ATOM 362 O VAL A 22 10.371 0.228 4.943 1.00 0.34 O ATOM 363 CB VAL A 22 8.293 -2.306 5.907 1.00 0.32 C ATOM 364 CG1 VAL A 22 9.002 -2.752 4.635 1.00 0.36 C ATOM 365 CG2 VAL A 22 8.433 -3.381 6.972 1.00 0.37 C ATOM 0 H VAL A 22 7.181 -0.799 7.620 1.00 0.28 H new ATOM 0 HA VAL A 22 9.819 -1.191 6.938 1.00 0.30 H new ATOM 0 HB VAL A 22 7.235 -2.153 5.693 1.00 0.32 H new ATOM 0 HG11 VAL A 22 8.573 -3.693 4.290 1.00 0.36 H new ATOM 0 HG12 VAL A 22 8.877 -1.992 3.863 1.00 0.36 H new ATOM 0 HG13 VAL A 22 10.064 -2.890 4.840 1.00 0.36 H new ATOM 0 HG21 VAL A 22 8.008 -4.315 6.604 1.00 0.37 H new ATOM 0 HG22 VAL A 22 9.488 -3.528 7.204 1.00 0.37 H new ATOM 0 HG23 VAL A 22 7.903 -3.072 7.873 1.00 0.37 H new ATOM 375 N PHE A 23 8.170 0.401 4.527 1.00 0.23 N ATOM 376 CA PHE A 23 8.369 1.210 3.338 1.00 0.22 C ATOM 377 C PHE A 23 8.831 2.584 3.744 1.00 0.21 C ATOM 378 O PHE A 23 9.698 3.173 3.102 1.00 0.23 O ATOM 379 CB PHE A 23 7.082 1.355 2.538 1.00 0.21 C ATOM 380 CG PHE A 23 6.282 0.095 2.414 1.00 0.26 C ATOM 381 CD1 PHE A 23 6.858 -1.071 1.946 1.00 0.35 C ATOM 382 CD2 PHE A 23 4.944 0.085 2.765 1.00 0.27 C ATOM 383 CE1 PHE A 23 6.113 -2.224 1.837 1.00 0.43 C ATOM 384 CE2 PHE A 23 4.195 -1.063 2.657 1.00 0.35 C ATOM 385 CZ PHE A 23 4.779 -2.218 2.190 1.00 0.41 C ATOM 0 H PHE A 23 7.194 0.232 4.770 1.00 0.23 H new ATOM 0 HA PHE A 23 9.114 0.713 2.717 1.00 0.22 H new ATOM 0 HB2 PHE A 23 6.462 2.119 3.007 1.00 0.21 H new ATOM 0 HB3 PHE A 23 7.329 1.713 1.539 1.00 0.21 H new ATOM 0 HD1 PHE A 23 7.900 -1.078 1.664 1.00 0.35 H new ATOM 0 HD2 PHE A 23 4.482 0.991 3.129 1.00 0.27 H new ATOM 0 HE1 PHE A 23 6.572 -3.132 1.476 1.00 0.43 H new ATOM 0 HE2 PHE A 23 3.152 -1.058 2.938 1.00 0.35 H new ATOM 0 HZ PHE A 23 4.193 -3.121 2.100 1.00 0.41 H new ATOM 395 N ASN A 24 8.230 3.086 4.822 1.00 0.19 N ATOM 396 CA ASN A 24 8.539 4.408 5.331 1.00 0.19 C ATOM 397 C ASN A 24 10.046 4.529 5.479 1.00 0.24 C ATOM 398 O ASN A 24 10.677 5.448 4.955 1.00 0.24 O ATOM 399 CB ASN A 24 7.859 4.629 6.695 1.00 0.21 C ATOM 400 CG ASN A 24 7.810 6.092 7.095 1.00 0.23 C ATOM 401 OD1 ASN A 24 8.789 6.649 7.593 1.00 0.28 O ATOM 402 ND2 ASN A 24 6.648 6.710 6.934 1.00 0.26 N ATOM 0 H ASN A 24 7.521 2.587 5.359 1.00 0.19 H new ATOM 0 HA ASN A 24 8.169 5.163 4.638 1.00 0.19 H new ATOM 0 HB2 ASN A 24 6.844 4.232 6.659 1.00 0.21 H new ATOM 0 HB3 ASN A 24 8.395 4.065 7.459 1.00 0.21 H new ATOM 0 HD21 ASN A 24 6.542 7.681 7.227 1.00 0.26 H new ATOM 0 HD22 ASN A 24 5.860 6.214 6.517 1.00 0.26 H new ATOM 409 N LYS A 25 10.592 3.515 6.146 1.00 0.32 N ATOM 410 CA LYS A 25 12.019 3.384 6.440 1.00 0.41 C ATOM 411 C LYS A 25 12.889 3.554 5.202 1.00 0.41 C ATOM 412 O LYS A 25 13.877 4.286 5.233 1.00 0.47 O ATOM 413 CB LYS A 25 12.265 2.003 7.077 1.00 0.51 C ATOM 414 CG LYS A 25 13.694 1.498 7.009 1.00 0.59 C ATOM 415 CD LYS A 25 13.872 0.591 5.800 1.00 1.02 C ATOM 416 CE LYS A 25 13.174 -0.747 5.984 1.00 2.32 C ATOM 417 NZ LYS A 25 13.188 -1.562 4.737 1.00 3.25 N ATOM 0 H LYS A 25 10.038 2.738 6.508 1.00 0.32 H new ATOM 0 HA LYS A 25 12.299 4.181 7.129 1.00 0.41 H new ATOM 0 HB2 LYS A 25 11.963 2.046 8.123 1.00 0.51 H new ATOM 0 HB3 LYS A 25 11.617 1.276 6.587 1.00 0.51 H new ATOM 0 HG2 LYS A 25 14.383 2.340 6.946 1.00 0.59 H new ATOM 0 HG3 LYS A 25 13.939 0.954 7.921 1.00 0.59 H new ATOM 0 HD2 LYS A 25 13.477 1.087 4.913 1.00 1.02 H new ATOM 0 HD3 LYS A 25 14.935 0.424 5.625 1.00 1.02 H new ATOM 0 HE2 LYS A 25 13.661 -1.303 6.785 1.00 2.32 H new ATOM 0 HE3 LYS A 25 12.143 -0.578 6.295 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 13.056 -2.565 4.977 1.00 3.25 H new ATOM 0 HZ2 LYS A 25 12.418 -1.251 4.110 1.00 3.25 H new ATOM 0 HZ3 LYS A 25 14.100 -1.439 4.252 1.00 3.25 H new ATOM 431 N GLU A 26 12.528 2.893 4.109 1.00 0.42 N ATOM 432 CA GLU A 26 13.365 2.933 2.924 1.00 0.53 C ATOM 433 C GLU A 26 13.016 4.107 2.037 1.00 0.45 C ATOM 434 O GLU A 26 13.436 4.184 0.881 1.00 0.66 O ATOM 435 CB GLU A 26 13.356 1.610 2.180 1.00 0.91 C ATOM 436 CG GLU A 26 11.998 1.094 1.789 1.00 0.40 C ATOM 437 CD GLU A 26 12.054 -0.397 1.550 1.00 0.79 C ATOM 438 OE1 GLU A 26 12.395 -0.809 0.421 1.00 1.45 O ATOM 439 OE2 GLU A 26 11.693 -1.161 2.475 1.00 1.43 O ATOM 0 H GLU A 26 11.679 2.335 4.021 1.00 0.42 H new ATOM 0 HA GLU A 26 14.393 3.088 3.253 1.00 0.53 H new ATOM 0 HB2 GLU A 26 13.958 1.717 1.278 1.00 0.91 H new ATOM 0 HB3 GLU A 26 13.845 0.860 2.802 1.00 0.91 H new ATOM 0 HG2 GLU A 26 11.276 1.317 2.575 1.00 0.40 H new ATOM 0 HG3 GLU A 26 11.654 1.601 0.888 1.00 0.40 H new ATOM 446 N GLY A 27 12.291 5.051 2.609 1.00 0.38 N ATOM 447 CA GLY A 27 12.087 6.310 1.953 1.00 0.44 C ATOM 448 C GLY A 27 10.638 6.698 1.832 1.00 0.37 C ATOM 449 O GLY A 27 10.335 7.863 1.580 1.00 0.44 O ATOM 0 H GLY A 27 11.841 4.962 3.520 1.00 0.38 H new ATOM 0 HA2 GLY A 27 12.618 7.087 2.503 1.00 0.44 H new ATOM 0 HA3 GLY A 27 12.527 6.267 0.957 1.00 0.44 H new ATOM 453 N TYR A 28 9.727 5.761 2.030 1.00 0.26 N ATOM 454 CA TYR A 28 8.345 6.039 1.676 1.00 0.24 C ATOM 455 C TYR A 28 7.680 6.979 2.650 1.00 0.24 C ATOM 456 O TYR A 28 8.100 7.134 3.799 1.00 0.41 O ATOM 457 CB TYR A 28 7.498 4.787 1.591 1.00 0.25 C ATOM 458 CG TYR A 28 7.445 4.159 0.226 1.00 0.40 C ATOM 459 CD1 TYR A 28 6.509 4.559 -0.714 1.00 0.58 C ATOM 460 CD2 TYR A 28 8.356 3.172 -0.128 1.00 0.57 C ATOM 461 CE1 TYR A 28 6.476 3.988 -1.968 1.00 0.78 C ATOM 462 CE2 TYR A 28 8.333 2.599 -1.383 1.00 0.77 C ATOM 463 CZ TYR A 28 7.305 2.991 -2.286 1.00 0.87 C ATOM 464 OH TYR A 28 7.372 2.451 -3.545 1.00 1.07 O ATOM 0 H TYR A 28 9.907 4.835 2.419 1.00 0.26 H new ATOM 0 HA TYR A 28 8.403 6.505 0.692 1.00 0.24 H new ATOM 0 HB2 TYR A 28 7.884 4.054 2.299 1.00 0.25 H new ATOM 0 HB3 TYR A 28 6.483 5.029 1.905 1.00 0.25 H new ATOM 0 HD1 TYR A 28 5.795 5.329 -0.461 1.00 0.58 H new ATOM 0 HD2 TYR A 28 9.094 2.848 0.591 1.00 0.57 H new ATOM 0 HE1 TYR A 28 5.772 4.351 -2.702 1.00 0.78 H new ATOM 0 HE2 TYR A 28 9.076 1.871 -1.673 1.00 0.77 H new ATOM 0 HH TYR A 28 7.921 3.025 -4.118 1.00 1.07 H new ATOM 474 N GLN A 29 6.610 7.573 2.176 1.00 0.17 N ATOM 475 CA GLN A 29 5.771 8.394 3.003 1.00 0.16 C ATOM 476 C GLN A 29 4.516 7.630 3.260 1.00 0.12 C ATOM 477 O GLN A 29 3.492 7.857 2.627 1.00 0.13 O ATOM 478 CB GLN A 29 5.444 9.737 2.352 1.00 0.24 C ATOM 479 CG GLN A 29 6.459 10.831 2.610 1.00 0.30 C ATOM 480 CD GLN A 29 7.822 10.544 2.021 1.00 0.53 C ATOM 481 OE1 GLN A 29 8.680 9.950 2.666 1.00 1.14 O ATOM 482 NE2 GLN A 29 8.029 10.986 0.793 1.00 0.53 N ATOM 0 H GLN A 29 6.301 7.498 1.207 1.00 0.17 H new ATOM 0 HA GLN A 29 6.297 8.623 3.930 1.00 0.16 H new ATOM 0 HB2 GLN A 29 5.354 9.591 1.276 1.00 0.24 H new ATOM 0 HB3 GLN A 29 4.471 10.072 2.711 1.00 0.24 H new ATOM 0 HG2 GLN A 29 6.084 11.768 2.197 1.00 0.30 H new ATOM 0 HG3 GLN A 29 6.560 10.975 3.686 1.00 0.30 H new ATOM 0 HE21 GLN A 29 7.285 11.475 0.295 1.00 0.53 H new ATOM 0 HE22 GLN A 29 8.932 10.838 0.343 1.00 0.53 H new ATOM 491 N THR A 30 4.626 6.675 4.140 1.00 0.11 N ATOM 492 CA THR A 30 3.542 5.776 4.387 1.00 0.10 C ATOM 493 C THR A 30 2.668 6.330 5.505 1.00 0.10 C ATOM 494 O THR A 30 3.177 6.757 6.545 1.00 0.14 O ATOM 495 CB THR A 30 4.090 4.393 4.758 1.00 0.11 C ATOM 496 OG1 THR A 30 4.673 4.431 6.063 1.00 0.14 O ATOM 497 CG2 THR A 30 5.164 3.950 3.781 1.00 0.12 C ATOM 0 H THR A 30 5.461 6.501 4.699 1.00 0.11 H new ATOM 0 HA THR A 30 2.935 5.675 3.487 1.00 0.10 H new ATOM 0 HB THR A 30 3.256 3.692 4.728 1.00 0.11 H new ATOM 0 HG1 THR A 30 5.227 3.634 6.197 1.00 0.14 H new ATOM 0 HG21 THR A 30 5.534 2.966 4.069 1.00 0.12 H new ATOM 0 HG22 THR A 30 4.744 3.900 2.776 1.00 0.12 H new ATOM 0 HG23 THR A 30 5.986 4.665 3.795 1.00 0.12 H new ATOM 505 N PHE A 31 1.364 6.370 5.275 1.00 0.09 N ATOM 506 CA PHE A 31 0.454 6.894 6.258 1.00 0.09 C ATOM 507 C PHE A 31 -0.630 5.894 6.534 1.00 0.10 C ATOM 508 O PHE A 31 -1.483 5.592 5.699 1.00 0.19 O ATOM 509 CB PHE A 31 -0.132 8.236 5.846 1.00 0.11 C ATOM 510 CG PHE A 31 0.698 9.410 6.286 1.00 0.17 C ATOM 511 CD1 PHE A 31 1.901 9.701 5.663 1.00 0.20 C ATOM 512 CD2 PHE A 31 0.278 10.217 7.330 1.00 0.27 C ATOM 513 CE1 PHE A 31 2.668 10.775 6.073 1.00 0.26 C ATOM 514 CE2 PHE A 31 1.039 11.294 7.743 1.00 0.34 C ATOM 515 CZ PHE A 31 2.236 11.573 7.115 1.00 0.30 C ATOM 0 H PHE A 31 0.922 6.044 4.415 1.00 0.09 H new ATOM 0 HA PHE A 31 1.019 7.071 7.174 1.00 0.09 H new ATOM 0 HB2 PHE A 31 -0.237 8.261 4.761 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -1.134 8.331 6.265 1.00 0.11 H new ATOM 0 HD1 PHE A 31 2.243 9.081 4.847 1.00 0.20 H new ATOM 0 HD2 PHE A 31 -0.656 10.002 7.828 1.00 0.27 H new ATOM 0 HE1 PHE A 31 3.604 10.990 5.579 1.00 0.26 H new ATOM 0 HE2 PHE A 31 0.697 11.917 8.556 1.00 0.34 H new ATOM 0 HZ PHE A 31 2.833 12.413 7.437 1.00 0.30 H new ATOM 525 N GLN A 32 -0.519 5.354 7.706 1.00 0.12 N ATOM 526 CA GLN A 32 -1.416 4.357 8.219 1.00 0.10 C ATOM 527 C GLN A 32 -2.869 4.868 8.331 1.00 0.09 C ATOM 528 O GLN A 32 -3.154 5.834 9.042 1.00 0.12 O ATOM 529 CB GLN A 32 -0.865 3.936 9.580 1.00 0.12 C ATOM 530 CG GLN A 32 -0.143 5.050 10.323 1.00 0.14 C ATOM 531 CD GLN A 32 0.569 4.547 11.562 1.00 0.18 C ATOM 532 OE1 GLN A 32 -0.006 4.497 12.648 1.00 0.22 O ATOM 533 NE2 GLN A 32 1.828 4.167 11.402 1.00 0.19 N ATOM 0 H GLN A 32 0.225 5.602 8.359 1.00 0.12 H new ATOM 0 HA GLN A 32 -1.466 3.510 7.534 1.00 0.10 H new ATOM 0 HB2 GLN A 32 -1.687 3.574 10.198 1.00 0.12 H new ATOM 0 HB3 GLN A 32 -0.179 3.101 9.441 1.00 0.12 H new ATOM 0 HG2 GLN A 32 0.580 5.519 9.656 1.00 0.14 H new ATOM 0 HG3 GLN A 32 -0.861 5.820 10.606 1.00 0.14 H new ATOM 0 HE21 GLN A 32 2.265 4.226 10.482 1.00 0.19 H new ATOM 0 HE22 GLN A 32 2.360 3.816 12.198 1.00 0.19 H new ATOM 542 N ALA A 33 -3.772 4.187 7.630 1.00 0.09 N ATOM 543 CA ALA A 33 -5.213 4.449 7.678 1.00 0.08 C ATOM 544 C ALA A 33 -5.935 3.175 8.053 1.00 0.11 C ATOM 545 O ALA A 33 -5.743 2.152 7.426 1.00 0.23 O ATOM 546 CB ALA A 33 -5.723 4.953 6.331 1.00 0.10 C ATOM 0 H ALA A 33 -3.521 3.424 7.001 1.00 0.09 H new ATOM 0 HA ALA A 33 -5.405 5.221 8.423 1.00 0.08 H new ATOM 0 HB1 ALA A 33 -6.795 5.140 6.395 1.00 0.10 H new ATOM 0 HB2 ALA A 33 -5.209 5.878 6.070 1.00 0.10 H new ATOM 0 HB3 ALA A 33 -5.530 4.202 5.565 1.00 0.10 H new ATOM 552 N ALA A 34 -6.751 3.224 9.082 1.00 0.09 N ATOM 553 CA ALA A 34 -7.472 2.031 9.497 1.00 0.10 C ATOM 554 C ALA A 34 -8.725 1.835 8.666 1.00 0.12 C ATOM 555 O ALA A 34 -9.360 0.784 8.722 1.00 0.18 O ATOM 556 CB ALA A 34 -7.822 2.086 10.971 1.00 0.14 C ATOM 0 H ALA A 34 -6.933 4.058 9.641 1.00 0.09 H new ATOM 0 HA ALA A 34 -6.813 1.178 9.334 1.00 0.10 H new ATOM 0 HB1 ALA A 34 -8.360 1.181 11.251 1.00 0.14 H new ATOM 0 HB2 ALA A 34 -6.908 2.161 11.560 1.00 0.14 H new ATOM 0 HB3 ALA A 34 -8.450 2.956 11.164 1.00 0.14 H new ATOM 562 N ASN A 35 -9.083 2.846 7.891 1.00 0.10 N ATOM 563 CA ASN A 35 -10.305 2.790 7.119 1.00 0.13 C ATOM 564 C ASN A 35 -10.197 3.573 5.821 1.00 0.10 C ATOM 565 O ASN A 35 -9.276 4.360 5.639 1.00 0.08 O ATOM 566 CB ASN A 35 -11.493 3.265 7.962 1.00 0.17 C ATOM 567 CG ASN A 35 -11.160 4.477 8.813 1.00 0.20 C ATOM 568 OD1 ASN A 35 -10.603 4.347 9.903 1.00 0.29 O ATOM 569 ND2 ASN A 35 -11.535 5.656 8.357 1.00 0.19 N ATOM 0 H ASN A 35 -8.547 3.707 7.783 1.00 0.10 H new ATOM 0 HA ASN A 35 -10.474 1.749 6.842 1.00 0.13 H new ATOM 0 HB2 ASN A 35 -12.327 3.507 7.303 1.00 0.17 H new ATOM 0 HB3 ASN A 35 -11.823 2.452 8.608 1.00 0.17 H new ATOM 0 HD21 ASN A 35 -11.366 6.495 8.912 1.00 0.19 H new ATOM 0 HD22 ASN A 35 -11.994 5.729 7.449 1.00 0.19 H new ATOM 576 N GLY A 36 -11.161 3.354 4.931 1.00 0.12 N ATOM 577 CA GLY A 36 -11.121 3.940 3.597 1.00 0.14 C ATOM 578 C GLY A 36 -11.395 5.421 3.595 1.00 0.11 C ATOM 579 O GLY A 36 -11.057 6.125 2.647 1.00 0.13 O ATOM 0 H GLY A 36 -11.980 2.774 5.111 1.00 0.12 H new ATOM 0 HA2 GLY A 36 -10.141 3.757 3.155 1.00 0.14 H new ATOM 0 HA3 GLY A 36 -11.854 3.440 2.965 1.00 0.14 H new ATOM 583 N LEU A 37 -12.001 5.894 4.659 1.00 0.11 N ATOM 584 CA LEU A 37 -12.266 7.313 4.809 1.00 0.13 C ATOM 585 C LEU A 37 -11.032 7.986 5.281 1.00 0.10 C ATOM 586 O LEU A 37 -10.680 9.085 4.852 1.00 0.11 O ATOM 587 CB LEU A 37 -13.312 7.550 5.861 1.00 0.17 C ATOM 588 CG LEU A 37 -14.763 7.240 5.468 1.00 0.23 C ATOM 589 CD1 LEU A 37 -15.074 7.837 4.108 1.00 0.27 C ATOM 590 CD2 LEU A 37 -15.026 5.741 5.468 1.00 0.28 C ATOM 0 H LEU A 37 -12.322 5.318 5.437 1.00 0.11 H new ATOM 0 HA LEU A 37 -12.601 7.698 3.846 1.00 0.13 H new ATOM 0 HB2 LEU A 37 -13.059 6.949 6.734 1.00 0.17 H new ATOM 0 HB3 LEU A 37 -13.257 8.595 6.167 1.00 0.17 H new ATOM 0 HG LEU A 37 -15.421 7.692 6.210 1.00 0.23 H new ATOM 0 HD11 LEU A 37 -16.106 7.611 3.839 1.00 0.27 H new ATOM 0 HD12 LEU A 37 -14.937 8.918 4.145 1.00 0.27 H new ATOM 0 HD13 LEU A 37 -14.403 7.412 3.362 1.00 0.27 H new ATOM 0 HD21 LEU A 37 -16.062 5.553 5.186 1.00 0.28 H new ATOM 0 HD22 LEU A 37 -14.362 5.255 4.754 1.00 0.28 H new ATOM 0 HD23 LEU A 37 -14.843 5.340 6.465 1.00 0.28 H new ATOM 602 N GLN A 38 -10.394 7.296 6.191 1.00 0.10 N ATOM 603 CA GLN A 38 -9.143 7.719 6.704 1.00 0.11 C ATOM 604 C GLN A 38 -8.221 7.747 5.528 1.00 0.10 C ATOM 605 O GLN A 38 -7.503 8.700 5.319 1.00 0.15 O ATOM 606 CB GLN A 38 -8.664 6.724 7.752 1.00 0.19 C ATOM 607 CG GLN A 38 -7.312 7.048 8.331 1.00 0.36 C ATOM 608 CD GLN A 38 -7.389 7.961 9.526 1.00 0.67 C ATOM 609 OE1 GLN A 38 -7.358 9.183 9.397 1.00 0.99 O ATOM 610 NE2 GLN A 38 -7.471 7.368 10.700 1.00 1.29 N ATOM 0 H GLN A 38 -10.740 6.423 6.590 1.00 0.10 H new ATOM 0 HA GLN A 38 -9.194 8.695 7.186 1.00 0.11 H new ATOM 0 HB2 GLN A 38 -9.394 6.684 8.560 1.00 0.19 H new ATOM 0 HB3 GLN A 38 -8.628 5.730 7.305 1.00 0.19 H new ATOM 0 HG2 GLN A 38 -6.815 6.122 8.619 1.00 0.36 H new ATOM 0 HG3 GLN A 38 -6.696 7.515 7.563 1.00 0.36 H new ATOM 0 HE21 GLN A 38 -7.494 6.350 10.757 1.00 1.29 H new ATOM 0 HE22 GLN A 38 -7.512 7.927 11.552 1.00 1.29 H new ATOM 619 N ALA A 39 -8.356 6.714 4.708 1.00 0.10 N ATOM 620 CA ALA A 39 -7.567 6.571 3.507 1.00 0.12 C ATOM 621 C ALA A 39 -7.775 7.748 2.571 1.00 0.11 C ATOM 622 O ALA A 39 -6.819 8.314 2.047 1.00 0.13 O ATOM 623 CB ALA A 39 -7.895 5.271 2.796 1.00 0.14 C ATOM 0 H ALA A 39 -9.018 5.954 4.863 1.00 0.10 H new ATOM 0 HA ALA A 39 -6.518 6.550 3.802 1.00 0.12 H new ATOM 0 HB1 ALA A 39 -7.288 5.186 1.895 1.00 0.14 H new ATOM 0 HB2 ALA A 39 -7.682 4.431 3.457 1.00 0.14 H new ATOM 0 HB3 ALA A 39 -8.951 5.261 2.525 1.00 0.14 H new ATOM 629 N LEU A 40 -9.034 8.104 2.370 1.00 0.11 N ATOM 630 CA LEU A 40 -9.398 9.262 1.576 1.00 0.12 C ATOM 631 C LEU A 40 -8.673 10.494 2.098 1.00 0.13 C ATOM 632 O LEU A 40 -8.056 11.247 1.344 1.00 0.17 O ATOM 633 CB LEU A 40 -10.907 9.466 1.684 1.00 0.13 C ATOM 634 CG LEU A 40 -11.610 9.886 0.393 1.00 0.37 C ATOM 635 CD1 LEU A 40 -11.306 11.338 0.050 1.00 0.97 C ATOM 636 CD2 LEU A 40 -11.195 8.980 -0.754 1.00 0.19 C ATOM 0 H LEU A 40 -9.831 7.597 2.754 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.115 9.105 0.535 1.00 0.12 H new ATOM 0 HB2 LEU A 40 -11.357 8.538 2.036 1.00 0.13 H new ATOM 0 HB3 LEU A 40 -11.100 10.223 2.445 1.00 0.13 H new ATOM 0 HG LEU A 40 -12.685 9.791 0.549 1.00 0.37 H new ATOM 0 HD11 LEU A 40 -11.819 11.609 -0.873 1.00 0.97 H new ATOM 0 HD12 LEU A 40 -11.650 11.983 0.859 1.00 0.97 H new ATOM 0 HD13 LEU A 40 -10.231 11.463 -0.082 1.00 0.97 H new ATOM 0 HD21 LEU A 40 -11.704 9.292 -1.666 1.00 0.19 H new ATOM 0 HD22 LEU A 40 -10.117 9.047 -0.899 1.00 0.19 H new ATOM 0 HD23 LEU A 40 -11.466 7.950 -0.521 1.00 0.19 H new ATOM 648 N ASP A 41 -8.746 10.657 3.407 1.00 0.12 N ATOM 649 CA ASP A 41 -8.098 11.748 4.114 1.00 0.13 C ATOM 650 C ASP A 41 -6.576 11.678 3.958 1.00 0.09 C ATOM 651 O ASP A 41 -5.903 12.697 3.787 1.00 0.11 O ATOM 652 CB ASP A 41 -8.499 11.654 5.586 1.00 0.20 C ATOM 653 CG ASP A 41 -7.714 12.580 6.504 1.00 0.72 C ATOM 654 OD1 ASP A 41 -6.626 12.188 6.971 1.00 1.32 O ATOM 655 OD2 ASP A 41 -8.199 13.697 6.785 1.00 0.87 O ATOM 0 H ASP A 41 -9.265 10.026 4.018 1.00 0.12 H new ATOM 0 HA ASP A 41 -8.416 12.704 3.697 1.00 0.13 H new ATOM 0 HB2 ASP A 41 -9.561 11.883 5.678 1.00 0.20 H new ATOM 0 HB3 ASP A 41 -8.365 10.626 5.923 1.00 0.20 H new ATOM 660 N ILE A 42 -6.038 10.467 3.997 1.00 0.10 N ATOM 661 CA ILE A 42 -4.608 10.269 3.857 1.00 0.10 C ATOM 662 C ILE A 42 -4.158 10.670 2.454 1.00 0.10 C ATOM 663 O ILE A 42 -3.179 11.391 2.301 1.00 0.13 O ATOM 664 CB ILE A 42 -4.169 8.808 4.062 1.00 0.12 C ATOM 665 CG1 ILE A 42 -4.808 8.122 5.287 1.00 0.14 C ATOM 666 CG2 ILE A 42 -2.661 8.757 4.155 1.00 0.12 C ATOM 667 CD1 ILE A 42 -4.544 8.779 6.613 1.00 0.12 C ATOM 0 H ILE A 42 -6.573 9.608 4.125 1.00 0.10 H new ATOM 0 HA ILE A 42 -4.152 10.887 4.631 1.00 0.10 H new ATOM 0 HB ILE A 42 -4.525 8.246 3.199 1.00 0.12 H new ATOM 0 HG12 ILE A 42 -5.886 8.076 5.133 1.00 0.14 H new ATOM 0 HG13 ILE A 42 -4.448 7.094 5.334 1.00 0.14 H new ATOM 0 HG21 ILE A 42 -2.340 7.726 4.300 1.00 0.12 H new ATOM 0 HG22 ILE A 42 -2.226 9.146 3.234 1.00 0.12 H new ATOM 0 HG23 ILE A 42 -2.328 9.363 4.998 1.00 0.12 H new ATOM 0 HD11 ILE A 42 -5.039 8.215 7.403 1.00 0.12 H new ATOM 0 HD12 ILE A 42 -3.471 8.801 6.801 1.00 0.12 H new ATOM 0 HD13 ILE A 42 -4.931 9.798 6.598 1.00 0.12 H new ATOM 679 N VAL A 43 -4.864 10.183 1.431 1.00 0.11 N ATOM 680 CA VAL A 43 -4.552 10.547 0.048 1.00 0.12 C ATOM 681 C VAL A 43 -4.649 12.049 -0.106 1.00 0.12 C ATOM 682 O VAL A 43 -3.813 12.686 -0.716 1.00 0.15 O ATOM 683 CB VAL A 43 -5.508 9.905 -0.980 1.00 0.13 C ATOM 684 CG1 VAL A 43 -5.113 10.306 -2.394 1.00 0.14 C ATOM 685 CG2 VAL A 43 -5.530 8.396 -0.854 1.00 0.15 C ATOM 0 H VAL A 43 -5.650 9.541 1.533 1.00 0.11 H new ATOM 0 HA VAL A 43 -3.546 10.179 -0.151 1.00 0.12 H new ATOM 0 HB VAL A 43 -6.512 10.273 -0.771 1.00 0.13 H new ATOM 0 HG11 VAL A 43 -5.797 9.845 -3.107 1.00 0.14 H new ATOM 0 HG12 VAL A 43 -5.163 11.390 -2.492 1.00 0.14 H new ATOM 0 HG13 VAL A 43 -4.096 9.970 -2.597 1.00 0.14 H new ATOM 0 HG21 VAL A 43 -6.214 7.979 -1.593 1.00 0.15 H new ATOM 0 HG22 VAL A 43 -4.528 8.002 -1.024 1.00 0.15 H new ATOM 0 HG23 VAL A 43 -5.864 8.119 0.146 1.00 0.15 H new ATOM 695 N THR A 44 -5.673 12.600 0.481 1.00 0.12 N ATOM 696 CA THR A 44 -5.896 14.022 0.454 1.00 0.15 C ATOM 697 C THR A 44 -4.739 14.786 1.126 1.00 0.14 C ATOM 698 O THR A 44 -4.429 15.917 0.749 1.00 0.16 O ATOM 699 CB THR A 44 -7.243 14.299 1.139 1.00 0.23 C ATOM 700 OG1 THR A 44 -8.156 14.890 0.206 1.00 0.39 O ATOM 701 CG2 THR A 44 -7.108 15.179 2.373 1.00 0.19 C ATOM 0 H THR A 44 -6.381 12.075 0.995 1.00 0.12 H new ATOM 0 HA THR A 44 -5.929 14.378 -0.576 1.00 0.15 H new ATOM 0 HB THR A 44 -7.632 13.339 1.478 1.00 0.23 H new ATOM 0 HG1 THR A 44 -9.012 15.062 0.650 1.00 0.39 H new ATOM 0 HG21 THR A 44 -8.092 15.340 2.814 1.00 0.19 H new ATOM 0 HG22 THR A 44 -6.460 14.689 3.100 1.00 0.19 H new ATOM 0 HG23 THR A 44 -6.676 16.139 2.090 1.00 0.19 H new ATOM 709 N LYS A 45 -4.091 14.155 2.104 1.00 0.13 N ATOM 710 CA LYS A 45 -3.006 14.798 2.841 1.00 0.14 C ATOM 711 C LYS A 45 -1.637 14.576 2.176 1.00 0.13 C ATOM 712 O LYS A 45 -0.859 15.518 2.019 1.00 0.15 O ATOM 713 CB LYS A 45 -3.011 14.307 4.300 1.00 0.19 C ATOM 714 CG LYS A 45 -1.875 13.374 4.688 1.00 0.39 C ATOM 715 CD LYS A 45 -1.892 13.065 6.174 1.00 1.12 C ATOM 716 CE LYS A 45 -3.162 12.338 6.579 1.00 1.54 C ATOM 717 NZ LYS A 45 -4.243 13.281 6.982 1.00 2.42 N ATOM 0 H LYS A 45 -4.298 13.202 2.403 1.00 0.13 H new ATOM 0 HA LYS A 45 -3.178 15.874 2.828 1.00 0.14 H new ATOM 0 HB2 LYS A 45 -2.982 15.177 4.956 1.00 0.19 H new ATOM 0 HB3 LYS A 45 -3.956 13.797 4.489 1.00 0.19 H new ATOM 0 HG2 LYS A 45 -1.955 12.446 4.121 1.00 0.39 H new ATOM 0 HG3 LYS A 45 -0.921 13.829 4.421 1.00 0.39 H new ATOM 0 HD2 LYS A 45 -1.026 12.455 6.429 1.00 1.12 H new ATOM 0 HD3 LYS A 45 -1.807 13.993 6.740 1.00 1.12 H new ATOM 0 HE2 LYS A 45 -3.508 11.724 5.748 1.00 1.54 H new ATOM 0 HE3 LYS A 45 -2.944 11.662 7.406 1.00 1.54 H new ATOM 0 HZ1 LYS A 45 -5.146 12.970 6.571 1.00 2.42 H new ATOM 0 HZ2 LYS A 45 -4.321 13.296 8.019 1.00 2.42 H new ATOM 0 HZ3 LYS A 45 -4.017 14.236 6.638 1.00 2.42 H new ATOM 731 N GLU A 46 -1.348 13.339 1.792 1.00 0.13 N ATOM 732 CA GLU A 46 -0.054 12.986 1.224 1.00 0.13 C ATOM 733 C GLU A 46 -0.146 12.698 -0.259 1.00 0.13 C ATOM 734 O GLU A 46 0.769 13.013 -1.019 1.00 0.16 O ATOM 735 CB GLU A 46 0.497 11.759 1.944 1.00 0.13 C ATOM 736 CG GLU A 46 1.089 12.089 3.295 1.00 0.19 C ATOM 737 CD GLU A 46 2.200 13.120 3.195 1.00 0.29 C ATOM 738 OE1 GLU A 46 3.283 12.792 2.661 1.00 0.54 O ATOM 739 OE2 GLU A 46 1.986 14.272 3.623 1.00 0.63 O ATOM 0 H GLU A 46 -1.999 12.557 1.865 1.00 0.13 H new ATOM 0 HA GLU A 46 0.612 13.838 1.358 1.00 0.13 H new ATOM 0 HB2 GLU A 46 -0.302 11.029 2.071 1.00 0.13 H new ATOM 0 HB3 GLU A 46 1.260 11.291 1.322 1.00 0.13 H new ATOM 0 HG2 GLU A 46 0.305 12.464 3.952 1.00 0.19 H new ATOM 0 HG3 GLU A 46 1.479 11.179 3.751 1.00 0.19 H new ATOM 746 N ARG A 47 -1.263 12.109 -0.652 1.00 0.13 N ATOM 747 CA ARG A 47 -1.456 11.603 -2.005 1.00 0.15 C ATOM 748 C ARG A 47 -0.470 10.483 -2.283 1.00 0.12 C ATOM 749 O ARG A 47 0.372 10.600 -3.178 1.00 0.15 O ATOM 750 CB ARG A 47 -1.308 12.706 -3.063 1.00 0.20 C ATOM 751 CG ARG A 47 -2.370 13.788 -2.994 1.00 0.73 C ATOM 752 CD ARG A 47 -2.236 14.757 -4.154 1.00 1.00 C ATOM 753 NE ARG A 47 -2.310 14.062 -5.436 1.00 1.88 N ATOM 754 CZ ARG A 47 -1.370 14.135 -6.376 1.00 2.63 C ATOM 755 NH1 ARG A 47 -0.280 14.864 -6.175 1.00 2.81 N ATOM 756 NH2 ARG A 47 -1.520 13.467 -7.509 1.00 3.66 N ATOM 0 H ARG A 47 -2.067 11.967 -0.040 1.00 0.13 H new ATOM 0 HA ARG A 47 -2.475 11.223 -2.070 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -0.327 13.169 -2.953 1.00 0.20 H new ATOM 0 HB3 ARG A 47 -1.336 12.249 -4.052 1.00 0.20 H new ATOM 0 HG2 ARG A 47 -3.360 13.332 -3.009 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -2.282 14.329 -2.052 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -3.026 15.506 -4.098 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -1.287 15.288 -4.080 1.00 1.00 H new ATOM 0 HE ARG A 47 -3.131 13.486 -5.623 1.00 1.88 H new ATOM 0 HH11 ARG A 47 -0.160 15.371 -5.298 1.00 2.81 H new ATOM 0 HH12 ARG A 47 0.438 14.918 -6.897 1.00 2.81 H new ATOM 0 HH21 ARG A 47 -2.354 12.899 -7.660 1.00 3.66 H new ATOM 0 HH22 ARG A 47 -0.802 13.521 -8.231 1.00 3.66 H new ATOM 770 N PRO A 48 -0.523 9.387 -1.501 1.00 0.11 N ATOM 771 CA PRO A 48 0.354 8.246 -1.733 1.00 0.11 C ATOM 772 C PRO A 48 0.092 7.633 -3.075 1.00 0.12 C ATOM 773 O PRO A 48 -1.037 7.628 -3.546 1.00 0.21 O ATOM 774 CB PRO A 48 -0.003 7.260 -0.625 1.00 0.14 C ATOM 775 CG PRO A 48 -0.646 8.111 0.423 1.00 0.15 C ATOM 776 CD PRO A 48 -1.414 9.157 -0.339 1.00 0.14 C ATOM 0 HA PRO A 48 1.406 8.530 -1.722 1.00 0.11 H new ATOM 0 HB2 PRO A 48 -0.682 6.486 -0.983 1.00 0.14 H new ATOM 0 HB3 PRO A 48 0.882 6.754 -0.240 1.00 0.14 H new ATOM 0 HG2 PRO A 48 -1.307 7.522 1.059 1.00 0.15 H new ATOM 0 HG3 PRO A 48 0.100 8.566 1.074 1.00 0.15 H new ATOM 0 HD2 PRO A 48 -2.400 8.804 -0.641 1.00 0.14 H new ATOM 0 HD3 PRO A 48 -1.566 10.063 0.247 1.00 0.14 H new ATOM 784 N ASP A 49 1.123 7.118 -3.695 1.00 0.11 N ATOM 785 CA ASP A 49 0.938 6.503 -4.990 1.00 0.14 C ATOM 786 C ASP A 49 0.531 5.066 -4.807 1.00 0.13 C ATOM 787 O ASP A 49 -0.277 4.546 -5.559 1.00 0.19 O ATOM 788 CB ASP A 49 2.190 6.595 -5.853 1.00 0.25 C ATOM 789 CG ASP A 49 2.475 8.007 -6.318 1.00 0.65 C ATOM 790 OD1 ASP A 49 3.180 8.741 -5.591 1.00 0.98 O ATOM 791 OD2 ASP A 49 1.993 8.390 -7.401 1.00 0.94 O ATOM 0 H ASP A 49 2.078 7.110 -3.338 1.00 0.11 H new ATOM 0 HA ASP A 49 0.151 7.047 -5.513 1.00 0.14 H new ATOM 0 HB2 ASP A 49 3.045 6.223 -5.287 1.00 0.25 H new ATOM 0 HB3 ASP A 49 2.076 5.946 -6.722 1.00 0.25 H new ATOM 796 N LEU A 50 1.075 4.443 -3.779 1.00 0.12 N ATOM 797 CA LEU A 50 0.795 3.050 -3.488 1.00 0.12 C ATOM 798 C LEU A 50 0.023 2.946 -2.183 1.00 0.11 C ATOM 799 O LEU A 50 0.554 3.227 -1.110 1.00 0.12 O ATOM 800 CB LEU A 50 2.095 2.250 -3.388 1.00 0.13 C ATOM 801 CG LEU A 50 2.789 1.943 -4.717 1.00 0.18 C ATOM 802 CD1 LEU A 50 3.561 3.147 -5.227 1.00 0.26 C ATOM 803 CD2 LEU A 50 3.708 0.746 -4.562 1.00 0.20 C ATOM 0 H LEU A 50 1.720 4.886 -3.125 1.00 0.12 H new ATOM 0 HA LEU A 50 0.195 2.636 -4.299 1.00 0.12 H new ATOM 0 HB2 LEU A 50 2.791 2.800 -2.754 1.00 0.13 H new ATOM 0 HB3 LEU A 50 1.882 1.307 -2.884 1.00 0.13 H new ATOM 0 HG LEU A 50 2.022 1.706 -5.454 1.00 0.18 H new ATOM 0 HD11 LEU A 50 4.042 2.897 -6.172 1.00 0.26 H new ATOM 0 HD12 LEU A 50 2.876 3.981 -5.378 1.00 0.26 H new ATOM 0 HD13 LEU A 50 4.320 3.429 -4.497 1.00 0.26 H new ATOM 0 HD21 LEU A 50 4.196 0.537 -5.514 1.00 0.20 H new ATOM 0 HD22 LEU A 50 4.463 0.963 -3.806 1.00 0.20 H new ATOM 0 HD23 LEU A 50 3.126 -0.122 -4.254 1.00 0.20 H new ATOM 815 N VAL A 51 -1.234 2.557 -2.275 1.00 0.10 N ATOM 816 CA VAL A 51 -2.099 2.521 -1.112 1.00 0.10 C ATOM 817 C VAL A 51 -2.561 1.099 -0.825 1.00 0.10 C ATOM 818 O VAL A 51 -3.312 0.525 -1.586 1.00 0.13 O ATOM 819 CB VAL A 51 -3.320 3.427 -1.337 1.00 0.13 C ATOM 820 CG1 VAL A 51 -4.118 3.582 -0.065 1.00 0.21 C ATOM 821 CG2 VAL A 51 -2.885 4.779 -1.865 1.00 0.16 C ATOM 0 H VAL A 51 -1.679 2.261 -3.144 1.00 0.10 H new ATOM 0 HA VAL A 51 -1.533 2.882 -0.253 1.00 0.10 H new ATOM 0 HB VAL A 51 -3.962 2.956 -2.081 1.00 0.13 H new ATOM 0 HG11 VAL A 51 -4.977 4.227 -0.250 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -4.465 2.604 0.268 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -3.490 4.027 0.707 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -3.761 5.409 -2.019 1.00 0.16 H new ATOM 0 HG22 VAL A 51 -2.219 5.254 -1.144 1.00 0.16 H new ATOM 0 HG23 VAL A 51 -2.361 4.648 -2.812 1.00 0.16 H new ATOM 831 N LEU A 52 -2.119 0.532 0.277 1.00 0.11 N ATOM 832 CA LEU A 52 -2.433 -0.851 0.601 1.00 0.11 C ATOM 833 C LEU A 52 -3.795 -0.945 1.270 1.00 0.11 C ATOM 834 O LEU A 52 -3.941 -0.600 2.431 1.00 0.13 O ATOM 835 CB LEU A 52 -1.355 -1.431 1.509 1.00 0.11 C ATOM 836 CG LEU A 52 0.071 -1.239 0.984 1.00 0.12 C ATOM 837 CD1 LEU A 52 0.718 -0.023 1.623 1.00 0.15 C ATOM 838 CD2 LEU A 52 0.910 -2.484 1.224 1.00 0.15 C ATOM 0 H LEU A 52 -1.539 1.006 0.969 1.00 0.11 H new ATOM 0 HA LEU A 52 -2.464 -1.429 -0.323 1.00 0.11 H new ATOM 0 HB2 LEU A 52 -1.435 -0.968 2.492 1.00 0.11 H new ATOM 0 HB3 LEU A 52 -1.542 -2.497 1.643 1.00 0.11 H new ATOM 0 HG LEU A 52 0.016 -1.072 -0.092 1.00 0.12 H new ATOM 0 HD11 LEU A 52 1.730 0.096 1.237 1.00 0.15 H new ATOM 0 HD12 LEU A 52 0.133 0.866 1.388 1.00 0.15 H new ATOM 0 HD13 LEU A 52 0.756 -0.157 2.704 1.00 0.15 H new ATOM 0 HD21 LEU A 52 1.918 -2.322 0.842 1.00 0.15 H new ATOM 0 HD22 LEU A 52 0.956 -2.692 2.293 1.00 0.15 H new ATOM 0 HD23 LEU A 52 0.459 -3.332 0.709 1.00 0.15 H new ATOM 850 N LEU A 53 -4.786 -1.406 0.528 1.00 0.16 N ATOM 851 CA LEU A 53 -6.163 -1.417 1.003 1.00 0.20 C ATOM 852 C LEU A 53 -6.566 -2.775 1.524 1.00 0.20 C ATOM 853 O LEU A 53 -6.859 -3.680 0.751 1.00 0.19 O ATOM 854 CB LEU A 53 -7.106 -1.019 -0.126 1.00 0.30 C ATOM 855 CG LEU A 53 -7.325 0.478 -0.292 1.00 0.51 C ATOM 856 CD1 LEU A 53 -6.017 1.203 -0.354 1.00 1.53 C ATOM 857 CD2 LEU A 53 -8.120 0.761 -1.538 1.00 0.90 C ATOM 0 H LEU A 53 -4.664 -1.781 -0.413 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.231 -0.701 1.822 1.00 0.20 H new ATOM 0 HB2 LEU A 53 -6.715 -1.418 -1.062 1.00 0.30 H new ATOM 0 HB3 LEU A 53 -8.072 -1.494 0.045 1.00 0.30 H new ATOM 0 HG LEU A 53 -7.883 0.833 0.575 1.00 0.51 H new ATOM 0 HD11 LEU A 53 -6.198 2.271 -0.473 1.00 1.53 H new ATOM 0 HD12 LEU A 53 -5.461 1.030 0.567 1.00 1.53 H new ATOM 0 HD13 LEU A 53 -5.438 0.837 -1.202 1.00 1.53 H new ATOM 0 HD21 LEU A 53 -8.266 1.836 -1.640 1.00 0.90 H new ATOM 0 HD22 LEU A 53 -7.581 0.384 -2.407 1.00 0.90 H new ATOM 0 HD23 LEU A 53 -9.090 0.268 -1.471 1.00 0.90 H new ATOM 869 N ASP A 54 -6.596 -2.919 2.828 1.00 0.28 N ATOM 870 CA ASP A 54 -7.020 -4.170 3.420 1.00 0.35 C ATOM 871 C ASP A 54 -8.480 -4.443 3.076 1.00 0.37 C ATOM 872 O ASP A 54 -9.379 -3.727 3.521 1.00 0.63 O ATOM 873 CB ASP A 54 -6.819 -4.152 4.933 1.00 0.59 C ATOM 874 CG ASP A 54 -7.241 -5.455 5.566 1.00 1.03 C ATOM 875 OD1 ASP A 54 -8.454 -5.727 5.663 1.00 1.47 O ATOM 876 OD2 ASP A 54 -6.350 -6.211 5.981 1.00 1.33 O ATOM 0 H ASP A 54 -6.335 -2.194 3.496 1.00 0.28 H new ATOM 0 HA ASP A 54 -6.407 -4.972 3.010 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -5.770 -3.960 5.159 1.00 0.59 H new ATOM 0 HB3 ASP A 54 -7.393 -3.333 5.367 1.00 0.59 H new ATOM 881 N MET A 55 -8.709 -5.458 2.247 1.00 0.23 N ATOM 882 CA MET A 55 -10.069 -5.842 1.878 1.00 0.29 C ATOM 883 C MET A 55 -10.615 -6.906 2.829 1.00 0.35 C ATOM 884 O MET A 55 -11.639 -7.529 2.552 1.00 0.50 O ATOM 885 CB MET A 55 -10.141 -6.368 0.437 1.00 0.30 C ATOM 886 CG MET A 55 -9.621 -5.402 -0.619 1.00 0.32 C ATOM 887 SD MET A 55 -10.495 -5.554 -2.192 1.00 0.70 S ATOM 888 CE MET A 55 -10.231 -7.286 -2.561 1.00 0.94 C ATOM 0 H MET A 55 -7.977 -6.026 1.821 1.00 0.23 H new ATOM 0 HA MET A 55 -10.680 -4.942 1.951 1.00 0.29 H new ATOM 0 HB2 MET A 55 -9.571 -7.295 0.374 1.00 0.30 H new ATOM 0 HB3 MET A 55 -11.177 -6.614 0.206 1.00 0.30 H new ATOM 0 HG2 MET A 55 -9.718 -4.381 -0.251 1.00 0.32 H new ATOM 0 HG3 MET A 55 -8.558 -5.583 -0.779 1.00 0.32 H new ATOM 0 HE1 MET A 55 -10.505 -7.483 -3.597 1.00 0.94 H new ATOM 0 HE2 MET A 55 -9.180 -7.534 -2.410 1.00 0.94 H new ATOM 0 HE3 MET A 55 -10.847 -7.897 -1.901 1.00 0.94 H new ATOM 898 N LYS A 56 -9.923 -7.123 3.944 1.00 0.30 N ATOM 899 CA LYS A 56 -10.352 -8.094 4.944 1.00 0.35 C ATOM 900 C LYS A 56 -11.598 -7.625 5.691 1.00 0.34 C ATOM 901 O LYS A 56 -12.673 -8.215 5.552 1.00 0.44 O ATOM 902 CB LYS A 56 -9.222 -8.351 5.944 1.00 0.34 C ATOM 903 CG LYS A 56 -7.986 -8.973 5.318 1.00 0.46 C ATOM 904 CD LYS A 56 -8.318 -10.244 4.547 1.00 0.59 C ATOM 905 CE LYS A 56 -9.050 -11.264 5.411 1.00 1.26 C ATOM 906 NZ LYS A 56 -8.234 -11.700 6.576 1.00 2.24 N ATOM 0 H LYS A 56 -9.058 -6.636 4.178 1.00 0.30 H new ATOM 0 HA LYS A 56 -10.600 -9.017 4.420 1.00 0.35 H new ATOM 0 HB2 LYS A 56 -8.945 -7.409 6.416 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -9.589 -9.007 6.733 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -7.518 -8.253 4.647 1.00 0.46 H new ATOM 0 HG3 LYS A 56 -7.260 -9.201 6.098 1.00 0.46 H new ATOM 0 HD2 LYS A 56 -8.933 -9.993 3.683 1.00 0.59 H new ATOM 0 HD3 LYS A 56 -7.398 -10.687 4.165 1.00 0.59 H new ATOM 0 HE2 LYS A 56 -9.986 -10.833 5.766 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.309 -12.132 4.805 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -8.735 -12.454 7.088 1.00 2.24 H new ATOM 0 HZ2 LYS A 56 -7.316 -12.058 6.243 1.00 2.24 H new ATOM 0 HZ3 LYS A 56 -8.080 -10.893 7.213 1.00 2.24 H new ATOM 920 N ILE A 57 -11.452 -6.547 6.458 1.00 0.29 N ATOM 921 CA ILE A 57 -12.490 -6.110 7.402 1.00 0.36 C ATOM 922 C ILE A 57 -12.358 -4.637 7.838 1.00 0.30 C ATOM 923 O ILE A 57 -13.387 -3.979 7.978 1.00 0.40 O ATOM 924 CB ILE A 57 -12.558 -6.984 8.686 1.00 0.51 C ATOM 925 CG1 ILE A 57 -11.167 -7.458 9.117 1.00 1.45 C ATOM 926 CG2 ILE A 57 -13.501 -8.163 8.495 1.00 0.90 C ATOM 927 CD1 ILE A 57 -11.164 -8.227 10.421 1.00 2.06 C ATOM 0 H ILE A 57 -10.622 -5.954 6.447 1.00 0.29 H new ATOM 0 HA ILE A 57 -13.410 -6.228 6.829 1.00 0.36 H new ATOM 0 HB ILE A 57 -12.955 -6.360 9.487 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -10.748 -8.088 8.333 1.00 1.45 H new ATOM 0 HG13 ILE A 57 -10.512 -6.592 9.214 1.00 1.45 H new ATOM 0 HG21 ILE A 57 -13.530 -8.758 9.408 1.00 0.90 H new ATOM 0 HG22 ILE A 57 -14.502 -7.795 8.270 1.00 0.90 H new ATOM 0 HG23 ILE A 57 -13.148 -8.782 7.670 1.00 0.90 H new ATOM 0 HD11 ILE A 57 -10.145 -8.530 10.662 1.00 2.06 H new ATOM 0 HD12 ILE A 57 -11.552 -7.593 11.218 1.00 2.06 H new ATOM 0 HD13 ILE A 57 -11.792 -9.112 10.323 1.00 2.06 H new ATOM 939 N PRO A 58 -11.119 -4.101 8.082 1.00 0.29 N ATOM 940 CA PRO A 58 -10.875 -2.742 8.582 1.00 0.31 C ATOM 941 C PRO A 58 -11.991 -1.721 8.381 1.00 0.27 C ATOM 942 O PRO A 58 -12.516 -1.176 9.355 1.00 0.33 O ATOM 943 CB PRO A 58 -9.642 -2.366 7.781 1.00 0.40 C ATOM 944 CG PRO A 58 -8.823 -3.609 7.829 1.00 0.45 C ATOM 945 CD PRO A 58 -9.805 -4.764 7.900 1.00 0.45 C ATOM 0 HA PRO A 58 -10.783 -2.733 9.668 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -9.894 -2.088 6.758 1.00 0.40 H new ATOM 0 HB3 PRO A 58 -9.117 -1.519 8.222 1.00 0.40 H new ATOM 0 HG2 PRO A 58 -8.189 -3.691 6.946 1.00 0.45 H new ATOM 0 HG3 PRO A 58 -8.163 -3.606 8.696 1.00 0.45 H new ATOM 0 HD2 PRO A 58 -9.783 -5.365 6.991 1.00 0.45 H new ATOM 0 HD3 PRO A 58 -9.576 -5.433 8.730 1.00 0.45 H new ATOM 953 N GLY A 59 -12.355 -1.453 7.140 1.00 0.32 N ATOM 954 CA GLY A 59 -13.374 -0.460 6.893 1.00 0.44 C ATOM 955 C GLY A 59 -14.242 -0.790 5.708 1.00 0.40 C ATOM 956 O GLY A 59 -15.428 -1.082 5.859 1.00 0.47 O ATOM 0 H GLY A 59 -11.969 -1.899 6.308 1.00 0.32 H new ATOM 0 HA2 GLY A 59 -14.001 -0.362 7.779 1.00 0.44 H new ATOM 0 HA3 GLY A 59 -12.899 0.507 6.730 1.00 0.44 H new ATOM 960 N MET A 60 -13.648 -0.772 4.533 1.00 0.32 N ATOM 961 CA MET A 60 -14.396 -0.917 3.297 1.00 0.30 C ATOM 962 C MET A 60 -13.617 -1.804 2.335 1.00 0.21 C ATOM 963 O MET A 60 -12.426 -2.039 2.543 1.00 0.18 O ATOM 964 CB MET A 60 -14.626 0.477 2.694 1.00 0.37 C ATOM 965 CG MET A 60 -15.515 0.506 1.462 1.00 0.43 C ATOM 966 SD MET A 60 -15.674 2.166 0.765 1.00 1.82 S ATOM 967 CE MET A 60 -16.406 3.040 2.145 1.00 2.23 C ATOM 0 H MET A 60 -12.642 -0.658 4.405 1.00 0.32 H new ATOM 0 HA MET A 60 -15.362 -1.385 3.488 1.00 0.30 H new ATOM 0 HB2 MET A 60 -15.068 1.118 3.457 1.00 0.37 H new ATOM 0 HB3 MET A 60 -13.659 0.909 2.436 1.00 0.37 H new ATOM 0 HG2 MET A 60 -15.106 -0.165 0.706 1.00 0.43 H new ATOM 0 HG3 MET A 60 -16.504 0.128 1.722 1.00 0.43 H new ATOM 0 HE1 MET A 60 -16.871 3.959 1.788 1.00 2.23 H new ATOM 0 HE2 MET A 60 -17.161 2.410 2.616 1.00 2.23 H new ATOM 0 HE3 MET A 60 -15.632 3.284 2.873 1.00 2.23 H new ATOM 977 N ASP A 61 -14.283 -2.303 1.301 1.00 0.21 N ATOM 978 CA ASP A 61 -13.615 -3.067 0.263 1.00 0.18 C ATOM 979 C ASP A 61 -12.575 -2.208 -0.413 1.00 0.14 C ATOM 980 O ASP A 61 -12.837 -1.056 -0.766 1.00 0.17 O ATOM 981 CB ASP A 61 -14.602 -3.562 -0.794 1.00 0.26 C ATOM 982 CG ASP A 61 -15.459 -4.716 -0.310 1.00 0.48 C ATOM 983 OD1 ASP A 61 -16.435 -4.472 0.429 1.00 0.64 O ATOM 984 OD2 ASP A 61 -15.163 -5.872 -0.669 1.00 0.67 O ATOM 0 H ASP A 61 -15.287 -2.190 1.162 1.00 0.21 H new ATOM 0 HA ASP A 61 -13.149 -3.930 0.738 1.00 0.18 H new ATOM 0 HB2 ASP A 61 -15.249 -2.737 -1.094 1.00 0.26 H new ATOM 0 HB3 ASP A 61 -14.050 -3.873 -1.681 1.00 0.26 H new ATOM 989 N GLY A 62 -11.405 -2.782 -0.606 1.00 0.16 N ATOM 990 CA GLY A 62 -10.310 -2.058 -1.204 1.00 0.20 C ATOM 991 C GLY A 62 -10.619 -1.608 -2.611 1.00 0.20 C ATOM 992 O GLY A 62 -9.944 -0.753 -3.151 1.00 0.32 O ATOM 0 H GLY A 62 -11.191 -3.748 -0.356 1.00 0.16 H new ATOM 0 HA2 GLY A 62 -10.075 -1.188 -0.591 1.00 0.20 H new ATOM 0 HA3 GLY A 62 -9.422 -2.690 -1.214 1.00 0.20 H new ATOM 996 N ILE A 63 -11.652 -2.167 -3.211 1.00 0.16 N ATOM 997 CA ILE A 63 -12.021 -1.765 -4.554 1.00 0.17 C ATOM 998 C ILE A 63 -12.772 -0.447 -4.509 1.00 0.18 C ATOM 999 O ILE A 63 -12.496 0.463 -5.286 1.00 0.22 O ATOM 1000 CB ILE A 63 -12.890 -2.825 -5.246 1.00 0.21 C ATOM 1001 CG1 ILE A 63 -12.346 -4.224 -4.963 1.00 0.26 C ATOM 1002 CG2 ILE A 63 -12.924 -2.570 -6.748 1.00 0.30 C ATOM 1003 CD1 ILE A 63 -13.312 -5.319 -5.344 1.00 1.31 C ATOM 0 H ILE A 63 -12.242 -2.889 -2.798 1.00 0.16 H new ATOM 0 HA ILE A 63 -11.102 -1.652 -5.130 1.00 0.17 H new ATOM 0 HB ILE A 63 -13.904 -2.759 -4.852 1.00 0.21 H new ATOM 0 HG12 ILE A 63 -11.413 -4.363 -5.510 1.00 0.26 H new ATOM 0 HG13 ILE A 63 -12.109 -4.308 -3.902 1.00 0.26 H new ATOM 0 HG21 ILE A 63 -13.542 -3.326 -7.232 1.00 0.30 H new ATOM 0 HG22 ILE A 63 -13.342 -1.582 -6.940 1.00 0.30 H new ATOM 0 HG23 ILE A 63 -11.911 -2.619 -7.148 1.00 0.30 H new ATOM 0 HD11 ILE A 63 -12.869 -6.289 -5.119 1.00 1.31 H new ATOM 0 HD12 ILE A 63 -14.236 -5.202 -4.778 1.00 1.31 H new ATOM 0 HD13 ILE A 63 -13.529 -5.258 -6.410 1.00 1.31 H new ATOM 1015 N GLU A 64 -13.698 -0.339 -3.569 1.00 0.15 N ATOM 1016 CA GLU A 64 -14.474 0.878 -3.402 1.00 0.17 C ATOM 1017 C GLU A 64 -13.579 2.003 -2.892 1.00 0.16 C ATOM 1018 O GLU A 64 -13.752 3.172 -3.247 1.00 0.18 O ATOM 1019 CB GLU A 64 -15.638 0.639 -2.440 1.00 0.21 C ATOM 1020 CG GLU A 64 -16.577 -0.467 -2.893 1.00 0.24 C ATOM 1021 CD GLU A 64 -17.206 -0.179 -4.243 1.00 0.32 C ATOM 1022 OE1 GLU A 64 -18.224 0.540 -4.282 1.00 0.47 O ATOM 1023 OE2 GLU A 64 -16.684 -0.670 -5.266 1.00 0.43 O ATOM 0 H GLU A 64 -13.930 -1.082 -2.909 1.00 0.15 H new ATOM 0 HA GLU A 64 -14.884 1.170 -4.369 1.00 0.17 H new ATOM 0 HB2 GLU A 64 -15.241 0.389 -1.456 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -16.204 1.564 -2.329 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -16.028 -1.407 -2.945 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -17.364 -0.598 -2.150 1.00 0.24 H new ATOM 1030 N ILE A 65 -12.599 1.641 -2.078 1.00 0.15 N ATOM 1031 CA ILE A 65 -11.649 2.617 -1.577 1.00 0.16 C ATOM 1032 C ILE A 65 -10.671 3.021 -2.675 1.00 0.15 C ATOM 1033 O ILE A 65 -10.317 4.194 -2.795 1.00 0.16 O ATOM 1034 CB ILE A 65 -10.852 2.092 -0.370 1.00 0.19 C ATOM 1035 CG1 ILE A 65 -11.778 1.481 0.670 1.00 0.24 C ATOM 1036 CG2 ILE A 65 -10.041 3.217 0.257 1.00 0.25 C ATOM 1037 CD1 ILE A 65 -11.031 0.772 1.775 1.00 0.69 C ATOM 0 H ILE A 65 -12.443 0.687 -1.754 1.00 0.15 H new ATOM 0 HA ILE A 65 -12.231 3.480 -1.253 1.00 0.16 H new ATOM 0 HB ILE A 65 -10.173 1.317 -0.726 1.00 0.19 H new ATOM 0 HG12 ILE A 65 -12.399 2.266 1.103 1.00 0.24 H new ATOM 0 HG13 ILE A 65 -12.450 0.776 0.182 1.00 0.24 H new ATOM 0 HG21 ILE A 65 -9.482 2.831 1.110 1.00 0.25 H new ATOM 0 HG22 ILE A 65 -9.346 3.619 -0.480 1.00 0.25 H new ATOM 0 HG23 ILE A 65 -10.713 4.007 0.591 1.00 0.25 H new ATOM 0 HD11 ILE A 65 -11.744 0.356 2.487 1.00 0.69 H new ATOM 0 HD12 ILE A 65 -10.431 -0.033 1.350 1.00 0.69 H new ATOM 0 HD13 ILE A 65 -10.379 1.480 2.286 1.00 0.69 H new ATOM 1049 N LEU A 66 -10.241 2.059 -3.488 1.00 0.15 N ATOM 1050 CA LEU A 66 -9.283 2.364 -4.540 1.00 0.22 C ATOM 1051 C LEU A 66 -9.914 3.280 -5.562 1.00 0.16 C ATOM 1052 O LEU A 66 -9.265 4.177 -6.074 1.00 0.15 O ATOM 1053 CB LEU A 66 -8.706 1.095 -5.205 1.00 0.43 C ATOM 1054 CG LEU A 66 -9.597 0.318 -6.189 1.00 0.59 C ATOM 1055 CD1 LEU A 66 -9.544 0.928 -7.582 1.00 0.86 C ATOM 1056 CD2 LEU A 66 -9.171 -1.144 -6.244 1.00 1.47 C ATOM 0 H LEU A 66 -10.534 1.083 -3.439 1.00 0.15 H new ATOM 0 HA LEU A 66 -8.438 2.875 -4.078 1.00 0.22 H new ATOM 0 HB2 LEU A 66 -7.797 1.381 -5.734 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -8.410 0.409 -4.411 1.00 0.43 H new ATOM 0 HG LEU A 66 -10.625 0.379 -5.830 1.00 0.59 H new ATOM 0 HD11 LEU A 66 -10.184 0.356 -8.254 1.00 0.86 H new ATOM 0 HD12 LEU A 66 -9.891 1.960 -7.541 1.00 0.86 H new ATOM 0 HD13 LEU A 66 -8.518 0.905 -7.951 1.00 0.86 H new ATOM 0 HD21 LEU A 66 -9.809 -1.683 -6.944 1.00 1.47 H new ATOM 0 HD22 LEU A 66 -8.134 -1.209 -6.575 1.00 1.47 H new ATOM 0 HD23 LEU A 66 -9.264 -1.588 -5.253 1.00 1.47 H new ATOM 1068 N LYS A 67 -11.191 3.076 -5.836 1.00 0.17 N ATOM 1069 CA LYS A 67 -11.868 3.886 -6.825 1.00 0.17 C ATOM 1070 C LYS A 67 -12.178 5.271 -6.288 1.00 0.14 C ATOM 1071 O LYS A 67 -12.105 6.241 -7.027 1.00 0.15 O ATOM 1072 CB LYS A 67 -13.134 3.199 -7.335 1.00 0.22 C ATOM 1073 CG LYS A 67 -14.104 2.811 -6.237 1.00 0.19 C ATOM 1074 CD LYS A 67 -15.327 2.110 -6.796 1.00 0.27 C ATOM 1075 CE LYS A 67 -14.947 0.814 -7.495 1.00 0.42 C ATOM 1076 NZ LYS A 67 -16.143 0.023 -7.882 1.00 0.65 N ATOM 0 H LYS A 67 -11.771 2.364 -5.392 1.00 0.17 H new ATOM 0 HA LYS A 67 -11.190 4.002 -7.670 1.00 0.17 H new ATOM 0 HB2 LYS A 67 -13.640 3.864 -8.036 1.00 0.22 H new ATOM 0 HB3 LYS A 67 -12.852 2.305 -7.891 1.00 0.22 H new ATOM 0 HG2 LYS A 67 -13.604 2.157 -5.523 1.00 0.19 H new ATOM 0 HG3 LYS A 67 -14.412 3.703 -5.691 1.00 0.19 H new ATOM 0 HD2 LYS A 67 -16.029 1.899 -5.989 1.00 0.27 H new ATOM 0 HD3 LYS A 67 -15.838 2.769 -7.498 1.00 0.27 H new ATOM 0 HE2 LYS A 67 -14.358 1.040 -8.384 1.00 0.42 H new ATOM 0 HE3 LYS A 67 -14.315 0.218 -6.837 1.00 0.42 H new ATOM 0 HZ1 LYS A 67 -15.859 -0.742 -8.527 1.00 0.65 H new ATOM 0 HZ2 LYS A 67 -16.579 -0.386 -7.031 1.00 0.65 H new ATOM 0 HZ3 LYS A 67 -16.829 0.642 -8.359 1.00 0.65 H new ATOM 1090 N ARG A 68 -12.515 5.387 -5.009 1.00 0.13 N ATOM 1091 CA ARG A 68 -12.720 6.715 -4.437 1.00 0.14 C ATOM 1092 C ARG A 68 -11.421 7.520 -4.433 1.00 0.12 C ATOM 1093 O ARG A 68 -11.422 8.732 -4.696 1.00 0.15 O ATOM 1094 CB ARG A 68 -13.342 6.652 -3.027 1.00 0.16 C ATOM 1095 CG ARG A 68 -12.516 5.911 -1.994 1.00 0.25 C ATOM 1096 CD ARG A 68 -13.333 5.594 -0.749 1.00 0.37 C ATOM 1097 NE ARG A 68 -13.983 6.779 -0.187 1.00 1.18 N ATOM 1098 CZ ARG A 68 -15.280 6.831 0.132 1.00 1.28 C ATOM 1099 NH1 ARG A 68 -16.070 5.793 -0.120 1.00 0.98 N ATOM 1100 NH2 ARG A 68 -15.783 7.922 0.699 1.00 2.18 N ATOM 0 H ARG A 68 -12.649 4.607 -4.365 1.00 0.13 H new ATOM 0 HA ARG A 68 -13.436 7.231 -5.077 1.00 0.14 H new ATOM 0 HB2 ARG A 68 -13.509 7.670 -2.674 1.00 0.16 H new ATOM 0 HB3 ARG A 68 -14.319 6.175 -3.099 1.00 0.16 H new ATOM 0 HG2 ARG A 68 -12.136 4.985 -2.426 1.00 0.25 H new ATOM 0 HG3 ARG A 68 -11.650 6.513 -1.719 1.00 0.25 H new ATOM 0 HD2 ARG A 68 -14.091 4.851 -0.996 1.00 0.37 H new ATOM 0 HD3 ARG A 68 -12.683 5.149 0.004 1.00 0.37 H new ATOM 0 HE ARG A 68 -13.415 7.611 -0.030 1.00 1.18 H new ATOM 0 HH11 ARG A 68 -15.687 4.955 -0.557 1.00 0.98 H new ATOM 0 HH12 ARG A 68 -17.060 5.834 0.124 1.00 0.98 H new ATOM 0 HH21 ARG A 68 -15.179 8.721 0.891 1.00 2.18 H new ATOM 0 HH22 ARG A 68 -16.773 7.960 0.942 1.00 2.18 H new ATOM 1114 N MET A 69 -10.301 6.855 -4.184 1.00 0.11 N ATOM 1115 CA MET A 69 -9.026 7.537 -4.233 1.00 0.12 C ATOM 1116 C MET A 69 -8.549 7.619 -5.665 1.00 0.10 C ATOM 1117 O MET A 69 -7.635 8.360 -5.972 1.00 0.12 O ATOM 1118 CB MET A 69 -7.980 6.865 -3.356 1.00 0.15 C ATOM 1119 CG MET A 69 -7.586 5.501 -3.853 1.00 0.25 C ATOM 1120 SD MET A 69 -6.533 4.611 -2.690 1.00 0.33 S ATOM 1121 CE MET A 69 -7.417 4.862 -1.156 1.00 1.28 C ATOM 0 H MET A 69 -10.253 5.863 -3.951 1.00 0.11 H new ATOM 0 HA MET A 69 -9.169 8.543 -3.838 1.00 0.12 H new ATOM 0 HB2 MET A 69 -7.094 7.498 -3.307 1.00 0.15 H new ATOM 0 HB3 MET A 69 -8.366 6.778 -2.341 1.00 0.15 H new ATOM 0 HG2 MET A 69 -8.485 4.915 -4.044 1.00 0.25 H new ATOM 0 HG3 MET A 69 -7.064 5.603 -4.804 1.00 0.25 H new ATOM 0 HE1 MET A 69 -7.292 3.988 -0.517 1.00 1.28 H new ATOM 0 HE2 MET A 69 -7.022 5.742 -0.648 1.00 1.28 H new ATOM 0 HE3 MET A 69 -8.476 5.009 -1.366 1.00 1.28 H new ATOM 1131 N LYS A 70 -9.177 6.843 -6.531 1.00 0.08 N ATOM 1132 CA LYS A 70 -9.005 7.012 -7.958 1.00 0.10 C ATOM 1133 C LYS A 70 -9.692 8.309 -8.367 1.00 0.13 C ATOM 1134 O LYS A 70 -9.187 9.084 -9.167 1.00 0.23 O ATOM 1135 CB LYS A 70 -9.626 5.844 -8.723 1.00 0.14 C ATOM 1136 CG LYS A 70 -8.629 5.036 -9.514 1.00 0.17 C ATOM 1137 CD LYS A 70 -7.771 4.213 -8.613 1.00 0.41 C ATOM 1138 CE LYS A 70 -7.078 3.148 -9.420 1.00 0.33 C ATOM 1139 NZ LYS A 70 -6.101 3.718 -10.390 1.00 1.30 N ATOM 0 H LYS A 70 -9.811 6.089 -6.267 1.00 0.08 H new ATOM 0 HA LYS A 70 -7.941 7.045 -8.194 1.00 0.10 H new ATOM 0 HB2 LYS A 70 -10.133 5.187 -8.016 1.00 0.14 H new ATOM 0 HB3 LYS A 70 -10.387 6.230 -9.401 1.00 0.14 H new ATOM 0 HG2 LYS A 70 -9.155 4.387 -10.213 1.00 0.17 H new ATOM 0 HG3 LYS A 70 -8.004 5.703 -10.107 1.00 0.17 H new ATOM 0 HD2 LYS A 70 -7.035 4.845 -8.116 1.00 0.41 H new ATOM 0 HD3 LYS A 70 -8.378 3.756 -7.832 1.00 0.41 H new ATOM 0 HE2 LYS A 70 -6.561 2.464 -8.747 1.00 0.33 H new ATOM 0 HE3 LYS A 70 -7.822 2.562 -9.959 1.00 0.33 H new ATOM 0 HZ1 LYS A 70 -5.725 2.957 -10.991 1.00 1.30 H new ATOM 0 HZ2 LYS A 70 -6.576 4.427 -10.985 1.00 1.30 H new ATOM 0 HZ3 LYS A 70 -5.320 4.168 -9.872 1.00 1.30 H new ATOM 1153 N VAL A 71 -10.851 8.550 -7.775 1.00 0.13 N ATOM 1154 CA VAL A 71 -11.618 9.754 -8.075 1.00 0.18 C ATOM 1155 C VAL A 71 -10.826 10.991 -7.680 1.00 0.15 C ATOM 1156 O VAL A 71 -10.830 11.997 -8.392 1.00 0.16 O ATOM 1157 CB VAL A 71 -12.991 9.776 -7.352 1.00 0.26 C ATOM 1158 CG1 VAL A 71 -13.742 11.066 -7.652 1.00 0.87 C ATOM 1159 CG2 VAL A 71 -13.836 8.572 -7.741 1.00 1.03 C ATOM 0 H VAL A 71 -11.282 7.933 -7.087 1.00 0.13 H new ATOM 0 HA VAL A 71 -11.805 9.752 -9.149 1.00 0.18 H new ATOM 0 HB VAL A 71 -12.800 9.727 -6.280 1.00 0.26 H new ATOM 0 HG11 VAL A 71 -14.701 11.058 -7.134 1.00 0.87 H new ATOM 0 HG12 VAL A 71 -13.153 11.918 -7.311 1.00 0.87 H new ATOM 0 HG13 VAL A 71 -13.910 11.148 -8.726 1.00 0.87 H new ATOM 0 HG21 VAL A 71 -14.792 8.614 -7.219 1.00 1.03 H new ATOM 0 HG22 VAL A 71 -14.009 8.582 -8.817 1.00 1.03 H new ATOM 0 HG23 VAL A 71 -13.313 7.656 -7.466 1.00 1.03 H new ATOM 1169 N ILE A 72 -10.122 10.910 -6.559 1.00 0.13 N ATOM 1170 CA ILE A 72 -9.259 12.009 -6.146 1.00 0.14 C ATOM 1171 C ILE A 72 -7.873 11.890 -6.784 1.00 0.15 C ATOM 1172 O ILE A 72 -7.146 12.882 -6.878 1.00 0.26 O ATOM 1173 CB ILE A 72 -9.142 12.113 -4.603 1.00 0.16 C ATOM 1174 CG1 ILE A 72 -8.617 10.810 -4.000 1.00 0.13 C ATOM 1175 CG2 ILE A 72 -10.494 12.468 -3.998 1.00 0.22 C ATOM 1176 CD1 ILE A 72 -8.529 10.837 -2.489 1.00 0.14 C ATOM 0 H ILE A 72 -10.130 10.109 -5.928 1.00 0.13 H new ATOM 0 HA ILE A 72 -9.726 12.928 -6.500 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.429 12.903 -4.369 1.00 0.16 H new ATOM 0 HG12 ILE A 72 -9.268 9.990 -4.304 1.00 0.13 H new ATOM 0 HG13 ILE A 72 -7.629 10.601 -4.410 1.00 0.13 H new ATOM 0 HG21 ILE A 72 -10.400 12.538 -2.914 1.00 0.22 H new ATOM 0 HG22 ILE A 72 -10.831 13.425 -4.396 1.00 0.22 H new ATOM 0 HG23 ILE A 72 -11.220 11.695 -4.250 1.00 0.22 H new ATOM 0 HD11 ILE A 72 -8.149 9.881 -2.130 1.00 0.14 H new ATOM 0 HD12 ILE A 72 -7.855 11.635 -2.178 1.00 0.14 H new ATOM 0 HD13 ILE A 72 -9.519 11.015 -2.070 1.00 0.14 H new ATOM 1188 N ASP A 73 -7.531 10.686 -7.254 1.00 0.11 N ATOM 1189 CA ASP A 73 -6.229 10.426 -7.881 1.00 0.12 C ATOM 1190 C ASP A 73 -6.206 9.113 -8.653 1.00 0.13 C ATOM 1191 O ASP A 73 -5.786 8.102 -8.127 1.00 0.17 O ATOM 1192 CB ASP A 73 -5.113 10.361 -6.835 1.00 0.20 C ATOM 1193 CG ASP A 73 -4.340 11.660 -6.735 1.00 0.61 C ATOM 1194 OD1 ASP A 73 -3.697 12.064 -7.722 1.00 0.76 O ATOM 1195 OD2 ASP A 73 -4.382 12.289 -5.652 1.00 1.08 O ATOM 0 H ASP A 73 -8.142 9.870 -7.212 1.00 0.11 H new ATOM 0 HA ASP A 73 -6.066 11.255 -8.569 1.00 0.12 H new ATOM 0 HB2 ASP A 73 -5.543 10.122 -5.863 1.00 0.20 H new ATOM 0 HB3 ASP A 73 -4.428 9.552 -7.088 1.00 0.20 H new ATOM 1200 N GLU A 74 -6.619 9.107 -9.907 1.00 0.13 N ATOM 1201 CA GLU A 74 -6.510 7.883 -10.710 1.00 0.16 C ATOM 1202 C GLU A 74 -5.044 7.582 -11.040 1.00 0.18 C ATOM 1203 O GLU A 74 -4.729 6.601 -11.716 1.00 0.24 O ATOM 1204 CB GLU A 74 -7.340 7.939 -11.993 1.00 0.18 C ATOM 1205 CG GLU A 74 -8.838 7.880 -11.746 1.00 0.52 C ATOM 1206 CD GLU A 74 -9.630 7.553 -12.994 1.00 1.26 C ATOM 1207 OE1 GLU A 74 -9.944 8.480 -13.767 1.00 1.78 O ATOM 1208 OE2 GLU A 74 -9.934 6.364 -13.217 1.00 1.67 O ATOM 0 H GLU A 74 -7.024 9.909 -10.390 1.00 0.13 H new ATOM 0 HA GLU A 74 -6.917 7.075 -10.102 1.00 0.16 H new ATOM 0 HB2 GLU A 74 -7.104 8.858 -12.530 1.00 0.18 H new ATOM 0 HB3 GLU A 74 -7.053 7.109 -12.639 1.00 0.18 H new ATOM 0 HG2 GLU A 74 -9.046 7.130 -10.983 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -9.174 8.838 -11.350 1.00 0.52 H new ATOM 1215 N ASN A 75 -4.160 8.434 -10.536 1.00 0.17 N ATOM 1216 CA ASN A 75 -2.719 8.205 -10.598 1.00 0.21 C ATOM 1217 C ASN A 75 -2.379 7.104 -9.627 1.00 0.20 C ATOM 1218 O ASN A 75 -1.462 6.305 -9.824 1.00 0.27 O ATOM 1219 CB ASN A 75 -1.967 9.485 -10.205 1.00 0.24 C ATOM 1220 CG ASN A 75 -0.649 9.217 -9.482 1.00 0.26 C ATOM 1221 OD1 ASN A 75 0.394 9.049 -10.116 1.00 0.35 O ATOM 1222 ND2 ASN A 75 -0.693 9.199 -8.146 1.00 0.22 N ATOM 0 H ASN A 75 -4.420 9.304 -10.072 1.00 0.17 H new ATOM 0 HA ASN A 75 -2.427 7.926 -11.611 1.00 0.21 H new ATOM 0 HB2 ASN A 75 -1.768 10.070 -11.103 1.00 0.24 H new ATOM 0 HB3 ASN A 75 -2.607 10.091 -9.564 1.00 0.24 H new ATOM 0 HD21 ASN A 75 0.160 9.041 -7.610 1.00 0.22 H new ATOM 0 HD22 ASN A 75 -1.580 9.343 -7.663 1.00 0.22 H new ATOM 1229 N ILE A 76 -3.187 7.075 -8.593 1.00 0.16 N ATOM 1230 CA ILE A 76 -2.979 6.240 -7.444 1.00 0.16 C ATOM 1231 C ILE A 76 -3.178 4.779 -7.778 1.00 0.17 C ATOM 1232 O ILE A 76 -3.797 4.424 -8.791 1.00 0.21 O ATOM 1233 CB ILE A 76 -3.965 6.661 -6.350 1.00 0.16 C ATOM 1234 CG1 ILE A 76 -3.357 6.545 -4.970 1.00 0.16 C ATOM 1235 CG2 ILE A 76 -5.250 5.843 -6.418 1.00 0.18 C ATOM 1236 CD1 ILE A 76 -4.193 7.235 -3.919 1.00 0.19 C ATOM 0 H ILE A 76 -4.028 7.649 -8.531 1.00 0.16 H new ATOM 0 HA ILE A 76 -1.952 6.363 -7.101 1.00 0.16 H new ATOM 0 HB ILE A 76 -4.204 7.709 -6.531 1.00 0.16 H new ATOM 0 HG12 ILE A 76 -3.247 5.492 -4.711 1.00 0.16 H new ATOM 0 HG13 ILE A 76 -2.357 6.978 -4.978 1.00 0.16 H new ATOM 0 HG21 ILE A 76 -5.929 6.166 -5.629 1.00 0.18 H new ATOM 0 HG22 ILE A 76 -5.725 5.991 -7.388 1.00 0.18 H new ATOM 0 HG23 ILE A 76 -5.016 4.787 -6.286 1.00 0.18 H new ATOM 0 HD11 ILE A 76 -3.716 7.125 -2.945 1.00 0.19 H new ATOM 0 HD12 ILE A 76 -4.281 8.294 -4.162 1.00 0.19 H new ATOM 0 HD13 ILE A 76 -5.185 6.785 -3.890 1.00 0.19 H new ATOM 1248 N ARG A 77 -2.654 3.945 -6.923 1.00 0.15 N ATOM 1249 CA ARG A 77 -2.860 2.533 -7.024 1.00 0.15 C ATOM 1250 C ARG A 77 -3.024 1.969 -5.635 1.00 0.14 C ATOM 1251 O ARG A 77 -2.827 2.680 -4.651 1.00 0.16 O ATOM 1252 CB ARG A 77 -1.677 1.877 -7.706 1.00 0.16 C ATOM 1253 CG ARG A 77 -0.388 2.054 -6.954 1.00 0.17 C ATOM 1254 CD ARG A 77 0.714 2.405 -7.913 1.00 0.28 C ATOM 1255 NE ARG A 77 0.916 3.851 -8.002 1.00 0.55 N ATOM 1256 CZ ARG A 77 1.185 4.504 -9.132 1.00 0.65 C ATOM 1257 NH1 ARG A 77 1.204 3.856 -10.293 1.00 0.96 N ATOM 1258 NH2 ARG A 77 1.405 5.817 -9.109 1.00 1.08 N ATOM 0 H ARG A 77 -2.071 4.229 -6.136 1.00 0.15 H new ATOM 0 HA ARG A 77 -3.753 2.336 -7.617 1.00 0.15 H new ATOM 0 HB2 ARG A 77 -1.878 0.812 -7.824 1.00 0.16 H new ATOM 0 HB3 ARG A 77 -1.566 2.293 -8.707 1.00 0.16 H new ATOM 0 HG2 ARG A 77 -0.497 2.840 -6.207 1.00 0.17 H new ATOM 0 HG3 ARG A 77 -0.139 1.138 -6.419 1.00 0.17 H new ATOM 0 HD2 ARG A 77 1.640 1.928 -7.593 1.00 0.28 H new ATOM 0 HD3 ARG A 77 0.476 2.010 -8.901 1.00 0.28 H new ATOM 0 HE ARG A 77 0.846 4.395 -7.142 1.00 0.55 H new ATOM 0 HH11 ARG A 77 1.012 2.855 -10.321 1.00 0.96 H new ATOM 0 HH12 ARG A 77 1.410 4.360 -11.155 1.00 0.96 H new ATOM 0 HH21 ARG A 77 1.368 6.325 -8.225 1.00 1.08 H new ATOM 0 HH22 ARG A 77 1.611 6.315 -9.975 1.00 1.08 H new ATOM 1272 N VAL A 78 -3.329 0.697 -5.541 1.00 0.14 N ATOM 1273 CA VAL A 78 -3.628 0.114 -4.249 1.00 0.15 C ATOM 1274 C VAL A 78 -3.059 -1.280 -4.132 1.00 0.16 C ATOM 1275 O VAL A 78 -2.998 -2.028 -5.095 1.00 0.31 O ATOM 1276 CB VAL A 78 -5.145 0.094 -3.986 1.00 0.30 C ATOM 1277 CG1 VAL A 78 -5.646 1.499 -3.702 1.00 0.79 C ATOM 1278 CG2 VAL A 78 -5.881 -0.485 -5.169 1.00 0.43 C ATOM 0 H VAL A 78 -3.377 0.051 -6.329 1.00 0.14 H new ATOM 0 HA VAL A 78 -3.156 0.741 -3.493 1.00 0.15 H new ATOM 0 HB VAL A 78 -5.335 -0.534 -3.116 1.00 0.30 H new ATOM 0 HG11 VAL A 78 -6.720 1.472 -3.518 1.00 0.79 H new ATOM 0 HG12 VAL A 78 -5.137 1.896 -2.824 1.00 0.79 H new ATOM 0 HG13 VAL A 78 -5.441 2.139 -4.560 1.00 0.79 H new ATOM 0 HG21 VAL A 78 -6.952 -0.491 -4.964 1.00 0.43 H new ATOM 0 HG22 VAL A 78 -5.684 0.122 -6.053 1.00 0.43 H new ATOM 0 HG23 VAL A 78 -5.540 -1.505 -5.346 1.00 0.43 H new ATOM 1288 N ILE A 79 -2.598 -1.602 -2.952 1.00 0.10 N ATOM 1289 CA ILE A 79 -2.130 -2.931 -2.664 1.00 0.09 C ATOM 1290 C ILE A 79 -3.137 -3.580 -1.746 1.00 0.09 C ATOM 1291 O ILE A 79 -2.946 -3.640 -0.532 1.00 0.11 O ATOM 1292 CB ILE A 79 -0.741 -2.939 -1.987 1.00 0.11 C ATOM 1293 CG1 ILE A 79 0.326 -2.283 -2.874 1.00 0.15 C ATOM 1294 CG2 ILE A 79 -0.316 -4.355 -1.621 1.00 0.15 C ATOM 1295 CD1 ILE A 79 0.310 -0.772 -2.843 1.00 0.60 C ATOM 0 H ILE A 79 -2.537 -0.953 -2.167 1.00 0.10 H new ATOM 0 HA ILE A 79 -2.026 -3.474 -3.603 1.00 0.09 H new ATOM 0 HB ILE A 79 -0.830 -2.353 -1.072 1.00 0.11 H new ATOM 0 HG12 ILE A 79 1.310 -2.632 -2.559 1.00 0.15 H new ATOM 0 HG13 ILE A 79 0.184 -2.616 -3.902 1.00 0.15 H new ATOM 0 HG21 ILE A 79 0.665 -4.329 -1.146 1.00 0.15 H new ATOM 0 HG22 ILE A 79 -1.042 -4.786 -0.931 1.00 0.15 H new ATOM 0 HG23 ILE A 79 -0.267 -4.965 -2.523 1.00 0.15 H new ATOM 0 HD11 ILE A 79 1.093 -0.386 -3.495 1.00 0.60 H new ATOM 0 HD12 ILE A 79 -0.659 -0.411 -3.187 1.00 0.60 H new ATOM 0 HD13 ILE A 79 0.484 -0.427 -1.824 1.00 0.60 H new ATOM 1307 N ILE A 80 -4.255 -3.981 -2.308 1.00 0.09 N ATOM 1308 CA ILE A 80 -5.340 -4.463 -1.471 1.00 0.10 C ATOM 1309 C ILE A 80 -5.009 -5.802 -0.821 1.00 0.12 C ATOM 1310 O ILE A 80 -4.368 -6.661 -1.415 1.00 0.14 O ATOM 1311 CB ILE A 80 -6.715 -4.534 -2.190 1.00 0.12 C ATOM 1312 CG1 ILE A 80 -6.845 -5.802 -3.056 1.00 0.13 C ATOM 1313 CG2 ILE A 80 -6.920 -3.282 -3.038 1.00 0.12 C ATOM 1314 CD1 ILE A 80 -5.911 -5.856 -4.250 1.00 0.13 C ATOM 0 H ILE A 80 -4.439 -3.986 -3.311 1.00 0.09 H new ATOM 0 HA ILE A 80 -5.440 -3.709 -0.690 1.00 0.10 H new ATOM 0 HB ILE A 80 -7.492 -4.584 -1.427 1.00 0.12 H new ATOM 0 HG12 ILE A 80 -6.660 -6.674 -2.428 1.00 0.13 H new ATOM 0 HG13 ILE A 80 -7.872 -5.878 -3.412 1.00 0.13 H new ATOM 0 HG21 ILE A 80 -7.886 -3.337 -3.540 1.00 0.12 H new ATOM 0 HG22 ILE A 80 -6.894 -2.400 -2.398 1.00 0.12 H new ATOM 0 HG23 ILE A 80 -6.127 -3.213 -3.783 1.00 0.12 H new ATOM 0 HD11 ILE A 80 -6.075 -6.784 -4.799 1.00 0.13 H new ATOM 0 HD12 ILE A 80 -6.108 -5.007 -4.905 1.00 0.13 H new ATOM 0 HD13 ILE A 80 -4.878 -5.816 -3.906 1.00 0.13 H new ATOM 1326 N MET A 81 -5.432 -5.944 0.421 1.00 0.15 N ATOM 1327 CA MET A 81 -5.145 -7.135 1.207 1.00 0.21 C ATOM 1328 C MET A 81 -6.300 -8.118 1.117 1.00 0.20 C ATOM 1329 O MET A 81 -7.461 -7.728 1.184 1.00 0.36 O ATOM 1330 CB MET A 81 -4.883 -6.767 2.662 1.00 0.31 C ATOM 1331 CG MET A 81 -3.989 -5.546 2.820 1.00 0.43 C ATOM 1332 SD MET A 81 -3.477 -5.265 4.522 1.00 0.80 S ATOM 1333 CE MET A 81 -2.827 -3.604 4.404 1.00 1.88 C ATOM 0 H MET A 81 -5.982 -5.241 0.914 1.00 0.15 H new ATOM 0 HA MET A 81 -4.249 -7.606 0.801 1.00 0.21 H new ATOM 0 HB2 MET A 81 -5.835 -6.579 3.160 1.00 0.31 H new ATOM 0 HB3 MET A 81 -4.421 -7.615 3.167 1.00 0.31 H new ATOM 0 HG2 MET A 81 -3.104 -5.667 2.195 1.00 0.43 H new ATOM 0 HG3 MET A 81 -4.518 -4.666 2.455 1.00 0.43 H new ATOM 0 HE1 MET A 81 -2.220 -3.387 5.283 1.00 1.88 H new ATOM 0 HE2 MET A 81 -2.212 -3.517 3.508 1.00 1.88 H new ATOM 0 HE3 MET A 81 -3.652 -2.894 4.348 1.00 1.88 H new ATOM 1343 N THR A 82 -5.982 -9.388 0.950 1.00 0.25 N ATOM 1344 CA THR A 82 -7.004 -10.397 0.747 1.00 0.30 C ATOM 1345 C THR A 82 -6.809 -11.622 1.612 1.00 0.31 C ATOM 1346 O THR A 82 -5.708 -11.907 2.088 1.00 0.35 O ATOM 1347 CB THR A 82 -7.074 -10.821 -0.721 1.00 0.47 C ATOM 1348 OG1 THR A 82 -8.009 -11.898 -0.891 1.00 1.13 O ATOM 1349 CG2 THR A 82 -5.703 -11.230 -1.235 1.00 0.91 C ATOM 0 H THR A 82 -5.026 -9.745 0.951 1.00 0.25 H new ATOM 0 HA THR A 82 -7.944 -9.930 1.042 1.00 0.30 H new ATOM 0 HB THR A 82 -7.416 -9.965 -1.302 1.00 0.47 H new ATOM 0 HG1 THR A 82 -8.865 -11.655 -0.481 1.00 1.13 H new ATOM 0 HG21 THR A 82 -5.780 -11.527 -2.281 1.00 0.91 H new ATOM 0 HG22 THR A 82 -5.015 -10.389 -1.146 1.00 0.91 H new ATOM 0 HG23 THR A 82 -5.329 -12.068 -0.647 1.00 0.91 H new ATOM 1357 N ALA A 83 -7.906 -12.339 1.806 1.00 0.33 N ATOM 1358 CA ALA A 83 -7.875 -13.648 2.422 1.00 0.40 C ATOM 1359 C ALA A 83 -7.281 -14.660 1.447 1.00 0.45 C ATOM 1360 O ALA A 83 -7.970 -15.562 0.971 1.00 0.54 O ATOM 1361 CB ALA A 83 -9.276 -14.065 2.843 1.00 0.47 C ATOM 0 H ALA A 83 -8.840 -12.026 1.540 1.00 0.33 H new ATOM 0 HA ALA A 83 -7.249 -13.611 3.314 1.00 0.40 H new ATOM 0 HB1 ALA A 83 -9.239 -15.052 3.305 1.00 0.47 H new ATOM 0 HB2 ALA A 83 -9.671 -13.344 3.559 1.00 0.47 H new ATOM 0 HB3 ALA A 83 -9.924 -14.099 1.967 1.00 0.47 H new ATOM 1367 N TYR A 84 -6.008 -14.450 1.116 1.00 0.45 N ATOM 1368 CA TYR A 84 -5.237 -15.348 0.260 1.00 0.55 C ATOM 1369 C TYR A 84 -5.705 -15.307 -1.196 1.00 0.56 C ATOM 1370 O TYR A 84 -5.348 -16.178 -1.991 1.00 0.77 O ATOM 1371 CB TYR A 84 -5.291 -16.799 0.769 1.00 0.69 C ATOM 1372 CG TYR A 84 -4.662 -17.037 2.129 1.00 1.26 C ATOM 1373 CD1 TYR A 84 -5.160 -16.425 3.271 1.00 1.92 C ATOM 1374 CD2 TYR A 84 -3.587 -17.906 2.270 1.00 2.03 C ATOM 1375 CE1 TYR A 84 -4.607 -16.668 4.510 1.00 2.83 C ATOM 1376 CE2 TYR A 84 -3.025 -18.151 3.509 1.00 2.97 C ATOM 1377 CZ TYR A 84 -3.540 -17.530 4.625 1.00 3.26 C ATOM 1378 OH TYR A 84 -3.005 -17.783 5.868 1.00 4.30 O ATOM 0 H TYR A 84 -5.477 -13.641 1.439 1.00 0.45 H new ATOM 0 HA TYR A 84 -4.208 -14.991 0.301 1.00 0.55 H new ATOM 0 HB2 TYR A 84 -6.334 -17.113 0.810 1.00 0.69 H new ATOM 0 HB3 TYR A 84 -4.794 -17.440 0.041 1.00 0.69 H new ATOM 0 HD1 TYR A 84 -5.996 -15.746 3.187 1.00 1.92 H new ATOM 0 HD2 TYR A 84 -3.184 -18.398 1.397 1.00 2.03 H new ATOM 0 HE1 TYR A 84 -5.009 -16.184 5.387 1.00 2.83 H new ATOM 0 HE2 TYR A 84 -2.187 -18.826 3.601 1.00 2.97 H new ATOM 0 HH TYR A 84 -2.259 -18.413 5.781 1.00 4.30 H new ATOM 1388 N GLY A 85 -6.482 -14.297 -1.550 1.00 0.52 N ATOM 1389 CA GLY A 85 -6.968 -14.183 -2.908 1.00 0.56 C ATOM 1390 C GLY A 85 -8.271 -14.930 -3.093 1.00 0.55 C ATOM 1391 O GLY A 85 -8.288 -16.126 -3.378 1.00 0.62 O ATOM 0 H GLY A 85 -6.785 -13.553 -0.921 1.00 0.52 H new ATOM 0 HA2 GLY A 85 -7.111 -13.132 -3.158 1.00 0.56 H new ATOM 0 HA3 GLY A 85 -6.221 -14.576 -3.598 1.00 0.56 H new ATOM 1395 N GLU A 86 -9.363 -14.213 -2.903 1.00 0.55 N ATOM 1396 CA GLU A 86 -10.704 -14.777 -2.980 1.00 0.62 C ATOM 1397 C GLU A 86 -11.251 -14.741 -4.411 1.00 0.68 C ATOM 1398 O GLU A 86 -12.418 -15.059 -4.652 1.00 1.05 O ATOM 1399 CB GLU A 86 -11.595 -13.972 -2.041 1.00 0.72 C ATOM 1400 CG GLU A 86 -10.893 -13.649 -0.733 1.00 0.74 C ATOM 1401 CD GLU A 86 -11.614 -12.610 0.089 1.00 1.04 C ATOM 1402 OE1 GLU A 86 -12.746 -12.894 0.542 1.00 1.33 O ATOM 1403 OE2 GLU A 86 -11.058 -11.514 0.283 1.00 1.17 O ATOM 0 H GLU A 86 -9.348 -13.216 -2.689 1.00 0.55 H new ATOM 0 HA GLU A 86 -10.681 -15.826 -2.684 1.00 0.62 H new ATOM 0 HB2 GLU A 86 -11.895 -13.045 -2.531 1.00 0.72 H new ATOM 0 HB3 GLU A 86 -12.506 -14.533 -1.835 1.00 0.72 H new ATOM 0 HG2 GLU A 86 -10.794 -14.562 -0.146 1.00 0.74 H new ATOM 0 HG3 GLU A 86 -9.884 -13.297 -0.947 1.00 0.74 H new ATOM 1410 N LEU A 87 -10.384 -14.357 -5.346 1.00 0.71 N ATOM 1411 CA LEU A 87 -10.727 -14.250 -6.771 1.00 0.73 C ATOM 1412 C LEU A 87 -11.861 -13.254 -7.036 1.00 0.74 C ATOM 1413 O LEU A 87 -12.310 -12.545 -6.133 1.00 0.72 O ATOM 1414 CB LEU A 87 -11.077 -15.623 -7.361 1.00 0.85 C ATOM 1415 CG LEU A 87 -9.885 -16.435 -7.875 1.00 1.14 C ATOM 1416 CD1 LEU A 87 -9.102 -15.633 -8.904 1.00 1.48 C ATOM 1417 CD2 LEU A 87 -8.982 -16.861 -6.726 1.00 1.73 C ATOM 0 H LEU A 87 -9.416 -14.109 -5.139 1.00 0.71 H new ATOM 0 HA LEU A 87 -9.838 -13.866 -7.270 1.00 0.73 H new ATOM 0 HB2 LEU A 87 -11.593 -16.207 -6.599 1.00 0.85 H new ATOM 0 HB3 LEU A 87 -11.779 -15.479 -8.182 1.00 0.85 H new ATOM 0 HG LEU A 87 -10.267 -17.336 -8.355 1.00 1.14 H new ATOM 0 HD11 LEU A 87 -8.258 -16.224 -9.260 1.00 1.48 H new ATOM 0 HD12 LEU A 87 -9.752 -15.386 -9.744 1.00 1.48 H new ATOM 0 HD13 LEU A 87 -8.735 -14.714 -8.447 1.00 1.48 H new ATOM 0 HD21 LEU A 87 -8.143 -17.436 -7.117 1.00 1.73 H new ATOM 0 HD22 LEU A 87 -8.607 -15.977 -6.211 1.00 1.73 H new ATOM 0 HD23 LEU A 87 -9.549 -17.476 -6.026 1.00 1.73 H new ATOM 1429 N ASP A 88 -12.279 -13.196 -8.303 1.00 0.80 N ATOM 1430 CA ASP A 88 -13.365 -12.323 -8.770 1.00 0.85 C ATOM 1431 C ASP A 88 -13.102 -10.849 -8.455 1.00 0.74 C ATOM 1432 O ASP A 88 -12.442 -10.155 -9.228 1.00 0.67 O ATOM 1433 CB ASP A 88 -14.716 -12.775 -8.199 1.00 1.01 C ATOM 1434 CG ASP A 88 -15.867 -11.892 -8.639 1.00 1.03 C ATOM 1435 OD1 ASP A 88 -16.202 -11.909 -9.838 1.00 1.38 O ATOM 1436 OD2 ASP A 88 -16.442 -11.181 -7.789 1.00 1.38 O ATOM 0 H ASP A 88 -11.868 -13.761 -9.046 1.00 0.80 H new ATOM 0 HA ASP A 88 -13.402 -12.414 -9.856 1.00 0.85 H new ATOM 0 HB2 ASP A 88 -14.912 -13.801 -8.511 1.00 1.01 H new ATOM 0 HB3 ASP A 88 -14.662 -12.778 -7.110 1.00 1.01 H new ATOM 1441 N MET A 89 -13.608 -10.377 -7.317 1.00 0.76 N ATOM 1442 CA MET A 89 -13.371 -9.011 -6.867 1.00 0.73 C ATOM 1443 C MET A 89 -11.879 -8.775 -6.652 1.00 0.57 C ATOM 1444 O MET A 89 -11.401 -7.649 -6.711 1.00 0.53 O ATOM 1445 CB MET A 89 -14.148 -8.732 -5.575 1.00 0.87 C ATOM 1446 CG MET A 89 -13.775 -9.644 -4.416 1.00 1.58 C ATOM 1447 SD MET A 89 -14.695 -9.272 -2.912 1.00 1.63 S ATOM 1448 CE MET A 89 -14.028 -10.502 -1.796 1.00 2.72 C ATOM 0 H MET A 89 -14.190 -10.928 -6.686 1.00 0.76 H new ATOM 0 HA MET A 89 -13.723 -8.325 -7.638 1.00 0.73 H new ATOM 0 HB2 MET A 89 -13.978 -7.697 -5.278 1.00 0.87 H new ATOM 0 HB3 MET A 89 -15.214 -8.835 -5.776 1.00 0.87 H new ATOM 0 HG2 MET A 89 -13.957 -10.680 -4.701 1.00 1.58 H new ATOM 0 HG3 MET A 89 -12.708 -9.552 -4.216 1.00 1.58 H new ATOM 0 HE1 MET A 89 -14.500 -10.401 -0.819 1.00 2.72 H new ATOM 0 HE2 MET A 89 -14.225 -11.498 -2.193 1.00 2.72 H new ATOM 0 HE3 MET A 89 -12.952 -10.357 -1.696 1.00 2.72 H new ATOM 1458 N ILE A 90 -11.151 -9.855 -6.409 1.00 0.53 N ATOM 1459 CA ILE A 90 -9.700 -9.803 -6.311 1.00 0.45 C ATOM 1460 C ILE A 90 -9.103 -9.438 -7.657 1.00 0.42 C ATOM 1461 O ILE A 90 -8.247 -8.558 -7.752 1.00 0.51 O ATOM 1462 CB ILE A 90 -9.137 -11.161 -5.862 1.00 0.48 C ATOM 1463 CG1 ILE A 90 -9.623 -11.478 -4.450 1.00 0.58 C ATOM 1464 CG2 ILE A 90 -7.613 -11.175 -5.931 1.00 0.49 C ATOM 1465 CD1 ILE A 90 -9.008 -10.603 -3.389 1.00 0.67 C ATOM 0 H ILE A 90 -11.546 -10.786 -6.275 1.00 0.53 H new ATOM 0 HA ILE A 90 -9.435 -9.046 -5.572 1.00 0.45 H new ATOM 0 HB ILE A 90 -9.500 -11.932 -6.542 1.00 0.48 H new ATOM 0 HG12 ILE A 90 -10.707 -11.369 -4.415 1.00 0.58 H new ATOM 0 HG13 ILE A 90 -9.400 -12.521 -4.224 1.00 0.58 H new ATOM 0 HG21 ILE A 90 -7.243 -12.148 -5.608 1.00 0.49 H new ATOM 0 HG22 ILE A 90 -7.293 -10.988 -6.956 1.00 0.49 H new ATOM 0 HG23 ILE A 90 -7.212 -10.399 -5.279 1.00 0.49 H new ATOM 0 HD11 ILE A 90 -9.400 -10.886 -2.412 1.00 0.67 H new ATOM 0 HD12 ILE A 90 -7.925 -10.729 -3.396 1.00 0.67 H new ATOM 0 HD13 ILE A 90 -9.253 -9.560 -3.590 1.00 0.67 H new ATOM 1477 N GLN A 91 -9.579 -10.116 -8.693 1.00 0.48 N ATOM 1478 CA GLN A 91 -9.129 -9.863 -10.048 1.00 0.52 C ATOM 1479 C GLN A 91 -9.463 -8.431 -10.439 1.00 0.44 C ATOM 1480 O GLN A 91 -8.602 -7.680 -10.882 1.00 0.40 O ATOM 1481 CB GLN A 91 -9.792 -10.841 -11.016 1.00 0.67 C ATOM 1482 CG GLN A 91 -9.525 -12.293 -10.674 1.00 0.79 C ATOM 1483 CD GLN A 91 -8.064 -12.673 -10.816 1.00 1.78 C ATOM 1484 OE1 GLN A 91 -7.289 -12.581 -9.864 1.00 2.50 O ATOM 1485 NE2 GLN A 91 -7.675 -13.092 -12.007 1.00 2.49 N ATOM 0 H GLN A 91 -10.282 -10.851 -8.615 1.00 0.48 H new ATOM 0 HA GLN A 91 -8.049 -10.005 -10.097 1.00 0.52 H new ATOM 0 HB2 GLN A 91 -10.868 -10.667 -11.018 1.00 0.67 H new ATOM 0 HB3 GLN A 91 -9.435 -10.641 -12.026 1.00 0.67 H new ATOM 0 HG2 GLN A 91 -9.848 -12.485 -9.651 1.00 0.79 H new ATOM 0 HG3 GLN A 91 -10.126 -12.930 -11.323 1.00 0.79 H new ATOM 0 HE21 GLN A 91 -8.348 -13.154 -12.771 1.00 2.49 H new ATOM 0 HE22 GLN A 91 -6.701 -13.353 -12.163 1.00 2.49 H new ATOM 1494 N GLU A 92 -10.719 -8.066 -10.215 1.00 0.47 N ATOM 1495 CA GLU A 92 -11.237 -6.737 -10.532 1.00 0.46 C ATOM 1496 C GLU A 92 -10.553 -5.632 -9.716 1.00 0.37 C ATOM 1497 O GLU A 92 -10.378 -4.519 -10.205 1.00 0.37 O ATOM 1498 CB GLU A 92 -12.746 -6.740 -10.296 1.00 0.58 C ATOM 1499 CG GLU A 92 -13.357 -5.367 -10.117 1.00 0.65 C ATOM 1500 CD GLU A 92 -14.865 -5.370 -10.250 1.00 0.83 C ATOM 1501 OE1 GLU A 92 -15.549 -5.677 -9.249 1.00 1.27 O ATOM 1502 OE2 GLU A 92 -15.372 -5.075 -11.347 1.00 0.94 O ATOM 0 H GLU A 92 -11.415 -8.688 -9.804 1.00 0.47 H new ATOM 0 HA GLU A 92 -11.020 -6.516 -11.577 1.00 0.46 H new ATOM 0 HB2 GLU A 92 -13.232 -7.233 -11.138 1.00 0.58 H new ATOM 0 HB3 GLU A 92 -12.961 -7.338 -9.410 1.00 0.58 H new ATOM 0 HG2 GLU A 92 -13.085 -4.979 -9.135 1.00 0.65 H new ATOM 0 HG3 GLU A 92 -12.934 -4.687 -10.857 1.00 0.65 H new ATOM 1509 N SER A 93 -10.172 -5.933 -8.479 1.00 0.34 N ATOM 1510 CA SER A 93 -9.506 -4.959 -7.625 1.00 0.34 C ATOM 1511 C SER A 93 -8.207 -4.471 -8.274 1.00 0.33 C ATOM 1512 O SER A 93 -8.072 -3.287 -8.601 1.00 0.32 O ATOM 1513 CB SER A 93 -9.225 -5.570 -6.253 1.00 0.43 C ATOM 1514 OG SER A 93 -8.831 -4.580 -5.320 1.00 1.28 O ATOM 0 H SER A 93 -10.314 -6.846 -8.046 1.00 0.34 H new ATOM 0 HA SER A 93 -10.164 -4.100 -7.497 1.00 0.34 H new ATOM 0 HB2 SER A 93 -10.117 -6.080 -5.890 1.00 0.43 H new ATOM 0 HB3 SER A 93 -8.441 -6.322 -6.341 1.00 0.43 H new ATOM 0 HG SER A 93 -7.998 -4.161 -5.620 1.00 1.28 H new ATOM 1520 N LYS A 94 -7.247 -5.382 -8.464 1.00 0.33 N ATOM 1521 CA LYS A 94 -6.015 -5.047 -9.180 1.00 0.34 C ATOM 1522 C LYS A 94 -6.325 -4.495 -10.563 1.00 0.32 C ATOM 1523 O LYS A 94 -5.700 -3.540 -11.029 1.00 0.33 O ATOM 1524 CB LYS A 94 -5.097 -6.258 -9.314 1.00 0.36 C ATOM 1525 CG LYS A 94 -5.817 -7.580 -9.457 1.00 0.37 C ATOM 1526 CD LYS A 94 -4.854 -8.674 -9.869 1.00 0.43 C ATOM 1527 CE LYS A 94 -5.529 -10.028 -9.905 1.00 1.37 C ATOM 1528 NZ LYS A 94 -4.629 -11.089 -10.434 1.00 1.91 N ATOM 0 H LYS A 94 -7.299 -6.346 -8.136 1.00 0.33 H new ATOM 0 HA LYS A 94 -5.502 -4.285 -8.593 1.00 0.34 H new ATOM 0 HB2 LYS A 94 -4.452 -6.115 -10.181 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -4.449 -6.305 -8.439 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -6.293 -7.844 -8.513 1.00 0.37 H new ATOM 0 HG3 LYS A 94 -6.610 -7.489 -10.199 1.00 0.37 H new ATOM 0 HD2 LYS A 94 -4.443 -8.446 -10.852 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.016 -8.703 -9.172 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -5.854 -10.297 -8.900 1.00 1.37 H new ATOM 0 HE3 LYS A 94 -6.424 -9.970 -10.525 1.00 1.37 H new ATOM 0 HZ1 LYS A 94 -5.137 -11.996 -10.457 1.00 1.91 H new ATOM 0 HZ2 LYS A 94 -4.325 -10.838 -11.396 1.00 1.91 H new ATOM 0 HZ3 LYS A 94 -3.795 -11.175 -9.819 1.00 1.91 H new ATOM 1542 N GLU A 95 -7.306 -5.106 -11.194 1.00 0.33 N ATOM 1543 CA GLU A 95 -7.774 -4.716 -12.505 1.00 0.35 C ATOM 1544 C GLU A 95 -8.159 -3.234 -12.546 1.00 0.31 C ATOM 1545 O GLU A 95 -7.929 -2.550 -13.543 1.00 0.37 O ATOM 1546 CB GLU A 95 -8.967 -5.607 -12.841 1.00 0.49 C ATOM 1547 CG GLU A 95 -9.767 -5.192 -14.045 1.00 0.56 C ATOM 1548 CD GLU A 95 -9.017 -5.396 -15.346 1.00 1.32 C ATOM 1549 OE1 GLU A 95 -8.245 -4.496 -15.734 1.00 1.72 O ATOM 1550 OE2 GLU A 95 -9.207 -6.446 -15.991 1.00 1.84 O ATOM 0 H GLU A 95 -7.809 -5.902 -10.802 1.00 0.33 H new ATOM 0 HA GLU A 95 -6.982 -4.843 -13.242 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -8.606 -6.623 -12.999 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -9.631 -5.636 -11.977 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -10.696 -5.762 -14.073 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -10.041 -4.141 -13.949 1.00 0.56 H new ATOM 1557 N LEU A 96 -8.713 -2.734 -11.452 1.00 0.28 N ATOM 1558 CA LEU A 96 -9.234 -1.380 -11.424 1.00 0.28 C ATOM 1559 C LEU A 96 -8.172 -0.375 -10.986 1.00 0.28 C ATOM 1560 O LEU A 96 -8.369 0.834 -11.103 1.00 0.47 O ATOM 1561 CB LEU A 96 -10.445 -1.308 -10.497 1.00 0.34 C ATOM 1562 CG LEU A 96 -11.316 -0.059 -10.654 1.00 0.55 C ATOM 1563 CD1 LEU A 96 -11.856 0.043 -12.074 1.00 1.16 C ATOM 1564 CD2 LEU A 96 -12.459 -0.086 -9.654 1.00 1.25 C ATOM 0 H LEU A 96 -8.812 -3.246 -10.575 1.00 0.28 H new ATOM 0 HA LEU A 96 -9.537 -1.116 -12.437 1.00 0.28 H new ATOM 0 HB2 LEU A 96 -11.066 -2.187 -10.668 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -10.096 -1.360 -9.466 1.00 0.34 H new ATOM 0 HG LEU A 96 -10.700 0.819 -10.458 1.00 0.55 H new ATOM 0 HD11 LEU A 96 -12.473 0.937 -12.165 1.00 1.16 H new ATOM 0 HD12 LEU A 96 -11.024 0.102 -12.776 1.00 1.16 H new ATOM 0 HD13 LEU A 96 -12.458 -0.837 -12.298 1.00 1.16 H new ATOM 0 HD21 LEU A 96 -13.071 0.808 -9.776 1.00 1.25 H new ATOM 0 HD22 LEU A 96 -13.072 -0.971 -9.825 1.00 1.25 H new ATOM 0 HD23 LEU A 96 -12.056 -0.114 -8.642 1.00 1.25 H new ATOM 1576 N GLY A 97 -7.043 -0.864 -10.492 1.00 0.20 N ATOM 1577 CA GLY A 97 -5.991 0.040 -10.070 1.00 0.21 C ATOM 1578 C GLY A 97 -5.069 -0.548 -9.020 1.00 0.20 C ATOM 1579 O GLY A 97 -4.016 0.017 -8.732 1.00 0.35 O ATOM 0 H GLY A 97 -6.838 -1.856 -10.377 1.00 0.20 H new ATOM 0 HA2 GLY A 97 -5.400 0.328 -10.940 1.00 0.21 H new ATOM 0 HA3 GLY A 97 -6.442 0.950 -9.676 1.00 0.21 H new ATOM 1583 N ALA A 98 -5.451 -1.672 -8.439 1.00 0.15 N ATOM 1584 CA ALA A 98 -4.601 -2.324 -7.458 1.00 0.13 C ATOM 1585 C ALA A 98 -3.418 -3.002 -8.134 1.00 0.14 C ATOM 1586 O ALA A 98 -3.521 -3.484 -9.262 1.00 0.21 O ATOM 1587 CB ALA A 98 -5.397 -3.315 -6.615 1.00 0.17 C ATOM 0 H ALA A 98 -6.334 -2.148 -8.626 1.00 0.15 H new ATOM 0 HA ALA A 98 -4.211 -1.559 -6.787 1.00 0.13 H new ATOM 0 HB1 ALA A 98 -4.736 -3.788 -5.889 1.00 0.17 H new ATOM 0 HB2 ALA A 98 -6.194 -2.788 -6.090 1.00 0.17 H new ATOM 0 HB3 ALA A 98 -5.830 -4.077 -7.262 1.00 0.17 H new ATOM 1593 N LEU A 99 -2.284 -3.005 -7.462 1.00 0.15 N ATOM 1594 CA LEU A 99 -1.108 -3.648 -7.994 1.00 0.16 C ATOM 1595 C LEU A 99 -1.096 -5.096 -7.596 1.00 0.15 C ATOM 1596 O LEU A 99 -0.950 -5.990 -8.428 1.00 0.17 O ATOM 1597 CB LEU A 99 0.144 -3.027 -7.419 1.00 0.18 C ATOM 1598 CG LEU A 99 0.166 -1.515 -7.405 1.00 0.17 C ATOM 1599 CD1 LEU A 99 1.333 -1.013 -6.571 1.00 0.17 C ATOM 1600 CD2 LEU A 99 0.247 -0.976 -8.824 1.00 0.18 C ATOM 0 H LEU A 99 -2.156 -2.569 -6.549 1.00 0.15 H new ATOM 0 HA LEU A 99 -1.130 -3.533 -9.078 1.00 0.16 H new ATOM 0 HB2 LEU A 99 0.272 -3.386 -6.398 1.00 0.18 H new ATOM 0 HB3 LEU A 99 1.002 -3.381 -7.991 1.00 0.18 H new ATOM 0 HG LEU A 99 -0.758 -1.154 -6.954 1.00 0.17 H new ATOM 0 HD11 LEU A 99 1.337 0.077 -6.570 1.00 0.17 H new ATOM 0 HD12 LEU A 99 1.233 -1.377 -5.548 1.00 0.17 H new ATOM 0 HD13 LEU A 99 2.268 -1.379 -6.996 1.00 0.17 H new ATOM 0 HD21 LEU A 99 0.262 0.114 -8.799 1.00 0.18 H new ATOM 0 HD22 LEU A 99 1.157 -1.341 -9.300 1.00 0.18 H new ATOM 0 HD23 LEU A 99 -0.620 -1.314 -9.392 1.00 0.18 H new ATOM 1612 N THR A 100 -1.288 -5.306 -6.306 1.00 0.14 N ATOM 1613 CA THR A 100 -1.100 -6.605 -5.717 1.00 0.14 C ATOM 1614 C THR A 100 -2.125 -6.874 -4.625 1.00 0.15 C ATOM 1615 O THR A 100 -2.721 -5.950 -4.071 1.00 0.13 O ATOM 1616 CB THR A 100 0.307 -6.722 -5.103 1.00 0.16 C ATOM 1617 OG1 THR A 100 0.496 -5.662 -4.159 1.00 0.19 O ATOM 1618 CG2 THR A 100 1.393 -6.646 -6.169 1.00 0.16 C ATOM 0 H THR A 100 -1.576 -4.582 -5.648 1.00 0.14 H new ATOM 0 HA THR A 100 -1.224 -7.338 -6.514 1.00 0.14 H new ATOM 0 HB THR A 100 0.384 -7.692 -4.611 1.00 0.16 H new ATOM 0 HG1 THR A 100 0.973 -6.004 -3.374 1.00 0.19 H new ATOM 0 HG21 THR A 100 2.372 -6.732 -5.698 1.00 0.16 H new ATOM 0 HG22 THR A 100 1.261 -7.460 -6.882 1.00 0.16 H new ATOM 0 HG23 THR A 100 1.324 -5.692 -6.691 1.00 0.16 H new ATOM 1626 N ALA A 101 -2.290 -8.150 -4.320 1.00 0.26 N ATOM 1627 CA ALA A 101 -3.160 -8.583 -3.252 1.00 0.27 C ATOM 1628 C ALA A 101 -2.332 -9.133 -2.091 1.00 0.36 C ATOM 1629 O ALA A 101 -1.875 -10.279 -2.120 1.00 0.52 O ATOM 1630 CB ALA A 101 -4.141 -9.624 -3.766 1.00 0.36 C ATOM 0 H ALA A 101 -1.821 -8.912 -4.810 1.00 0.26 H new ATOM 0 HA ALA A 101 -3.732 -7.729 -2.887 1.00 0.27 H new ATOM 0 HB1 ALA A 101 -4.792 -9.943 -2.952 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -4.744 -9.193 -4.565 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -3.592 -10.484 -4.150 1.00 0.36 H new ATOM 1636 N PHE A 102 -2.117 -8.291 -1.092 1.00 0.41 N ATOM 1637 CA PHE A 102 -1.366 -8.666 0.100 1.00 0.58 C ATOM 1638 C PHE A 102 -2.153 -9.690 0.910 1.00 0.39 C ATOM 1639 O PHE A 102 -3.307 -9.456 1.255 1.00 0.46 O ATOM 1640 CB PHE A 102 -1.098 -7.416 0.953 1.00 0.92 C ATOM 1641 CG PHE A 102 -0.513 -7.698 2.314 1.00 1.68 C ATOM 1642 CD1 PHE A 102 -1.337 -7.929 3.400 1.00 2.35 C ATOM 1643 CD2 PHE A 102 0.861 -7.734 2.503 1.00 2.38 C ATOM 1644 CE1 PHE A 102 -0.806 -8.197 4.647 1.00 3.44 C ATOM 1645 CE2 PHE A 102 1.398 -7.999 3.748 1.00 3.38 C ATOM 1646 CZ PHE A 102 0.566 -8.205 4.825 1.00 3.86 C ATOM 0 H PHE A 102 -2.457 -7.329 -1.083 1.00 0.41 H new ATOM 0 HA PHE A 102 -0.415 -9.108 -0.198 1.00 0.58 H new ATOM 0 HB2 PHE A 102 -0.419 -6.760 0.409 1.00 0.92 H new ATOM 0 HB3 PHE A 102 -2.034 -6.871 1.080 1.00 0.92 H new ATOM 0 HD1 PHE A 102 -2.409 -7.900 3.272 1.00 2.35 H new ATOM 0 HD2 PHE A 102 1.519 -7.553 1.666 1.00 2.38 H new ATOM 0 HE1 PHE A 102 -1.461 -8.400 5.481 1.00 3.44 H new ATOM 0 HE2 PHE A 102 2.469 -8.044 3.876 1.00 3.38 H new ATOM 0 HZ PHE A 102 0.983 -8.373 5.807 1.00 3.86 H new ATOM 1656 N ALA A 103 -1.547 -10.827 1.193 1.00 0.40 N ATOM 1657 CA ALA A 103 -2.175 -11.806 2.051 1.00 0.44 C ATOM 1658 C ALA A 103 -1.280 -12.124 3.239 1.00 0.65 C ATOM 1659 O ALA A 103 -0.177 -11.589 3.348 1.00 0.76 O ATOM 1660 CB ALA A 103 -2.495 -13.059 1.259 1.00 0.57 C ATOM 0 H ALA A 103 -0.626 -11.092 0.843 1.00 0.40 H new ATOM 0 HA ALA A 103 -3.108 -11.395 2.436 1.00 0.44 H new ATOM 0 HB1 ALA A 103 -2.968 -13.792 1.913 1.00 0.57 H new ATOM 0 HB2 ALA A 103 -3.173 -12.810 0.443 1.00 0.57 H new ATOM 0 HB3 ALA A 103 -1.574 -13.477 0.852 1.00 0.57 H new ATOM 1666 N LYS A 104 -1.771 -12.987 4.127 1.00 0.84 N ATOM 1667 CA LYS A 104 -1.018 -13.403 5.311 1.00 1.12 C ATOM 1668 C LYS A 104 0.377 -13.936 4.962 1.00 1.08 C ATOM 1669 O LYS A 104 1.352 -13.571 5.617 1.00 1.13 O ATOM 1670 CB LYS A 104 -1.795 -14.450 6.116 1.00 1.55 C ATOM 1671 CG LYS A 104 -2.996 -13.885 6.854 1.00 1.83 C ATOM 1672 CD LYS A 104 -3.672 -14.949 7.702 1.00 2.48 C ATOM 1673 CE LYS A 104 -4.725 -14.349 8.618 1.00 2.95 C ATOM 1674 NZ LYS A 104 -5.410 -15.391 9.426 1.00 3.35 N ATOM 0 H LYS A 104 -2.694 -13.415 4.048 1.00 0.84 H new ATOM 0 HA LYS A 104 -0.884 -12.510 5.922 1.00 1.12 H new ATOM 0 HB2 LYS A 104 -2.132 -15.237 5.442 1.00 1.55 H new ATOM 0 HB3 LYS A 104 -1.122 -14.914 6.837 1.00 1.55 H new ATOM 0 HG2 LYS A 104 -2.679 -13.058 7.489 1.00 1.83 H new ATOM 0 HG3 LYS A 104 -3.710 -13.481 6.136 1.00 1.83 H new ATOM 0 HD2 LYS A 104 -4.135 -15.693 7.053 1.00 2.48 H new ATOM 0 HD3 LYS A 104 -2.923 -15.469 8.299 1.00 2.48 H new ATOM 0 HE2 LYS A 104 -4.258 -13.622 9.283 1.00 2.95 H new ATOM 0 HE3 LYS A 104 -5.461 -13.809 8.022 1.00 2.95 H new ATOM 0 HZ1 LYS A 104 -6.121 -14.943 10.039 1.00 3.35 H new ATOM 0 HZ2 LYS A 104 -5.877 -16.070 8.792 1.00 3.35 H new ATOM 0 HZ3 LYS A 104 -4.712 -15.889 10.014 1.00 3.35 H new ATOM 1688 N PRO A 105 0.518 -14.830 3.964 1.00 1.09 N ATOM 1689 CA PRO A 105 1.840 -15.242 3.511 1.00 1.13 C ATOM 1690 C PRO A 105 2.526 -14.142 2.707 1.00 0.95 C ATOM 1691 O PRO A 105 2.271 -13.969 1.512 1.00 0.91 O ATOM 1692 CB PRO A 105 1.557 -16.462 2.633 1.00 1.28 C ATOM 1693 CG PRO A 105 0.168 -16.257 2.140 1.00 1.36 C ATOM 1694 CD PRO A 105 -0.559 -15.531 3.237 1.00 1.17 C ATOM 0 HA PRO A 105 2.514 -15.458 4.340 1.00 1.13 H new ATOM 0 HB2 PRO A 105 2.265 -16.528 1.807 1.00 1.28 H new ATOM 0 HB3 PRO A 105 1.643 -17.388 3.202 1.00 1.28 H new ATOM 0 HG2 PRO A 105 0.163 -15.676 1.218 1.00 1.36 H new ATOM 0 HG3 PRO A 105 -0.312 -17.210 1.918 1.00 1.36 H new ATOM 0 HD2 PRO A 105 -1.293 -14.832 2.837 1.00 1.17 H new ATOM 0 HD3 PRO A 105 -1.097 -16.221 3.886 1.00 1.17 H new ATOM 1702 N PHE A 106 3.382 -13.388 3.372 1.00 0.92 N ATOM 1703 CA PHE A 106 4.124 -12.322 2.715 1.00 0.81 C ATOM 1704 C PHE A 106 5.598 -12.377 3.096 1.00 0.81 C ATOM 1705 O PHE A 106 5.946 -12.582 4.259 1.00 0.86 O ATOM 1706 CB PHE A 106 3.529 -10.946 3.058 1.00 0.76 C ATOM 1707 CG PHE A 106 3.652 -10.556 4.507 1.00 0.80 C ATOM 1708 CD1 PHE A 106 2.753 -11.029 5.446 1.00 0.98 C ATOM 1709 CD2 PHE A 106 4.666 -9.710 4.925 1.00 0.76 C ATOM 1710 CE1 PHE A 106 2.864 -10.673 6.774 1.00 1.10 C ATOM 1711 CE2 PHE A 106 4.781 -9.350 6.252 1.00 0.85 C ATOM 1712 CZ PHE A 106 3.879 -9.832 7.178 1.00 1.02 C ATOM 0 H PHE A 106 3.582 -13.492 4.367 1.00 0.92 H new ATOM 0 HA PHE A 106 4.041 -12.469 1.638 1.00 0.81 H new ATOM 0 HB2 PHE A 106 4.022 -10.189 2.448 1.00 0.76 H new ATOM 0 HB3 PHE A 106 2.475 -10.941 2.782 1.00 0.76 H new ATOM 0 HD1 PHE A 106 1.954 -11.686 5.135 1.00 0.98 H new ATOM 0 HD2 PHE A 106 5.374 -9.328 4.205 1.00 0.76 H new ATOM 0 HE1 PHE A 106 2.157 -11.053 7.496 1.00 1.10 H new ATOM 0 HE2 PHE A 106 5.577 -8.691 6.566 1.00 0.85 H new ATOM 0 HZ PHE A 106 3.968 -9.551 8.217 1.00 1.02 H new ATOM 1722 N ASP A 107 6.458 -12.169 2.111 1.00 0.79 N ATOM 1723 CA ASP A 107 7.906 -12.253 2.302 1.00 0.82 C ATOM 1724 C ASP A 107 8.424 -11.059 3.087 1.00 0.73 C ATOM 1725 O ASP A 107 9.593 -11.015 3.444 1.00 0.72 O ATOM 1726 CB ASP A 107 8.588 -12.271 0.939 1.00 0.88 C ATOM 1727 CG ASP A 107 10.007 -12.810 0.981 1.00 1.35 C ATOM 1728 OD1 ASP A 107 10.176 -14.047 0.979 1.00 1.63 O ATOM 1729 OD2 ASP A 107 10.956 -11.997 1.036 1.00 1.77 O ATOM 0 H ASP A 107 6.178 -11.938 1.158 1.00 0.79 H new ATOM 0 HA ASP A 107 8.127 -13.164 2.859 1.00 0.82 H new ATOM 0 HB2 ASP A 107 7.997 -12.878 0.253 1.00 0.88 H new ATOM 0 HB3 ASP A 107 8.604 -11.259 0.536 1.00 0.88 H new ATOM 1734 N ILE A 108 7.517 -10.119 3.364 1.00 0.73 N ATOM 1735 CA ILE A 108 7.831 -8.759 3.838 1.00 0.71 C ATOM 1736 C ILE A 108 8.714 -8.021 2.818 1.00 0.66 C ATOM 1737 O ILE A 108 8.315 -6.974 2.294 1.00 0.63 O ATOM 1738 CB ILE A 108 8.423 -8.695 5.293 1.00 0.77 C ATOM 1739 CG1 ILE A 108 8.133 -7.322 5.913 1.00 0.67 C ATOM 1740 CG2 ILE A 108 9.924 -8.972 5.355 1.00 1.33 C ATOM 1741 CD1 ILE A 108 8.701 -7.152 7.307 1.00 1.39 C ATOM 0 H ILE A 108 6.515 -10.282 3.264 1.00 0.73 H new ATOM 0 HA ILE A 108 6.876 -8.239 3.915 1.00 0.71 H new ATOM 0 HB ILE A 108 7.932 -9.487 5.859 1.00 0.77 H new ATOM 0 HG12 ILE A 108 8.543 -6.547 5.266 1.00 0.67 H new ATOM 0 HG13 ILE A 108 7.054 -7.170 5.949 1.00 0.67 H new ATOM 0 HG21 ILE A 108 10.263 -8.911 6.389 1.00 1.33 H new ATOM 0 HG22 ILE A 108 10.126 -9.970 4.965 1.00 1.33 H new ATOM 0 HG23 ILE A 108 10.455 -8.233 4.755 1.00 1.33 H new ATOM 0 HD11 ILE A 108 8.457 -6.158 7.681 1.00 1.39 H new ATOM 0 HD12 ILE A 108 8.272 -7.904 7.969 1.00 1.39 H new ATOM 0 HD13 ILE A 108 9.784 -7.272 7.276 1.00 1.39 H new ATOM 1753 N ASP A 109 9.862 -8.599 2.469 1.00 0.68 N ATOM 1754 CA ASP A 109 10.752 -7.992 1.497 1.00 0.67 C ATOM 1755 C ASP A 109 10.072 -7.897 0.154 1.00 0.62 C ATOM 1756 O ASP A 109 10.217 -6.907 -0.516 1.00 0.58 O ATOM 1757 CB ASP A 109 12.057 -8.770 1.352 1.00 0.73 C ATOM 1758 CG ASP A 109 13.015 -8.123 0.364 1.00 0.95 C ATOM 1759 OD1 ASP A 109 13.737 -7.178 0.754 1.00 1.16 O ATOM 1760 OD2 ASP A 109 13.060 -8.564 -0.805 1.00 1.08 O ATOM 0 H ASP A 109 10.192 -9.486 2.848 1.00 0.68 H new ATOM 0 HA ASP A 109 10.993 -6.993 1.861 1.00 0.67 H new ATOM 0 HB2 ASP A 109 12.541 -8.846 2.326 1.00 0.73 H new ATOM 0 HB3 ASP A 109 11.836 -9.786 1.026 1.00 0.73 H new ATOM 1765 N GLU A 110 9.300 -8.911 -0.227 1.00 0.65 N ATOM 1766 CA GLU A 110 8.614 -8.883 -1.519 1.00 0.64 C ATOM 1767 C GLU A 110 7.649 -7.706 -1.588 1.00 0.59 C ATOM 1768 O GLU A 110 7.396 -7.174 -2.660 1.00 0.58 O ATOM 1769 CB GLU A 110 7.852 -10.188 -1.796 1.00 0.68 C ATOM 1770 CG GLU A 110 6.660 -10.433 -0.875 1.00 0.67 C ATOM 1771 CD GLU A 110 5.785 -11.577 -1.338 1.00 0.72 C ATOM 1772 OE1 GLU A 110 5.730 -11.822 -2.560 1.00 0.72 O ATOM 1773 OE2 GLU A 110 5.140 -12.225 -0.493 1.00 0.84 O ATOM 0 H GLU A 110 9.134 -9.750 0.329 1.00 0.65 H new ATOM 0 HA GLU A 110 9.382 -8.771 -2.284 1.00 0.64 H new ATOM 0 HB2 GLU A 110 7.501 -10.177 -2.828 1.00 0.68 H new ATOM 0 HB3 GLU A 110 8.544 -11.025 -1.704 1.00 0.68 H new ATOM 0 HG2 GLU A 110 7.022 -10.643 0.131 1.00 0.67 H new ATOM 0 HG3 GLU A 110 6.061 -9.525 -0.815 1.00 0.67 H new ATOM 1780 N ILE A 111 7.142 -7.281 -0.437 1.00 0.57 N ATOM 1781 CA ILE A 111 6.193 -6.179 -0.394 1.00 0.54 C ATOM 1782 C ILE A 111 6.938 -4.867 -0.558 1.00 0.48 C ATOM 1783 O ILE A 111 6.607 -4.056 -1.424 1.00 0.46 O ATOM 1784 CB ILE A 111 5.412 -6.168 0.938 1.00 0.58 C ATOM 1785 CG1 ILE A 111 4.826 -7.553 1.252 1.00 0.69 C ATOM 1786 CG2 ILE A 111 4.304 -5.131 0.872 1.00 0.56 C ATOM 1787 CD1 ILE A 111 3.514 -7.843 0.554 1.00 0.74 C ATOM 0 H ILE A 111 7.371 -7.681 0.473 1.00 0.57 H new ATOM 0 HA ILE A 111 5.478 -6.307 -1.207 1.00 0.54 H new ATOM 0 HB ILE A 111 6.104 -5.910 1.740 1.00 0.58 H new ATOM 0 HG12 ILE A 111 5.552 -8.315 0.969 1.00 0.69 H new ATOM 0 HG13 ILE A 111 4.679 -7.638 2.329 1.00 0.69 H new ATOM 0 HG21 ILE A 111 3.754 -5.125 1.813 1.00 0.56 H new ATOM 0 HG22 ILE A 111 4.737 -4.146 0.699 1.00 0.56 H new ATOM 0 HG23 ILE A 111 3.624 -5.377 0.056 1.00 0.56 H new ATOM 0 HD11 ILE A 111 3.168 -8.840 0.829 1.00 0.74 H new ATOM 0 HD12 ILE A 111 2.771 -7.105 0.856 1.00 0.74 H new ATOM 0 HD13 ILE A 111 3.657 -7.793 -0.525 1.00 0.74 H new ATOM 1799 N ARG A 112 7.977 -4.685 0.244 1.00 0.48 N ATOM 1800 CA ARG A 112 8.778 -3.474 0.171 1.00 0.46 C ATOM 1801 C ARG A 112 9.519 -3.428 -1.159 1.00 0.47 C ATOM 1802 O ARG A 112 9.673 -2.380 -1.770 1.00 0.47 O ATOM 1803 CB ARG A 112 9.752 -3.394 1.365 1.00 0.48 C ATOM 1804 CG ARG A 112 10.962 -4.328 1.303 1.00 0.51 C ATOM 1805 CD ARG A 112 12.059 -3.756 0.415 1.00 0.50 C ATOM 1806 NE ARG A 112 13.318 -4.486 0.516 1.00 0.56 N ATOM 1807 CZ ARG A 112 14.504 -3.907 0.378 1.00 0.62 C ATOM 1808 NH1 ARG A 112 14.581 -2.593 0.185 1.00 0.64 N ATOM 1809 NH2 ARG A 112 15.610 -4.638 0.441 1.00 0.72 N ATOM 0 H ARG A 112 8.283 -5.356 0.948 1.00 0.48 H new ATOM 0 HA ARG A 112 8.122 -2.605 0.228 1.00 0.46 H new ATOM 0 HB2 ARG A 112 10.113 -2.369 1.447 1.00 0.48 H new ATOM 0 HB3 ARG A 112 9.196 -3.610 2.277 1.00 0.48 H new ATOM 0 HG2 ARG A 112 11.352 -4.488 2.308 1.00 0.51 H new ATOM 0 HG3 ARG A 112 10.653 -5.301 0.922 1.00 0.51 H new ATOM 0 HD2 ARG A 112 11.722 -3.768 -0.621 1.00 0.50 H new ATOM 0 HD3 ARG A 112 12.228 -2.713 0.683 1.00 0.50 H new ATOM 0 HE ARG A 112 13.285 -5.488 0.701 1.00 0.56 H new ATOM 0 HH11 ARG A 112 13.730 -2.033 0.143 1.00 0.64 H new ATOM 0 HH12 ARG A 112 15.491 -2.146 0.079 1.00 0.64 H new ATOM 0 HH21 ARG A 112 15.548 -5.644 0.595 1.00 0.72 H new ATOM 0 HH22 ARG A 112 16.522 -4.193 0.335 1.00 0.72 H new ATOM 1823 N ASP A 113 9.948 -4.590 -1.614 1.00 0.50 N ATOM 1824 CA ASP A 113 10.739 -4.691 -2.817 1.00 0.53 C ATOM 1825 C ASP A 113 9.869 -4.359 -4.011 1.00 0.54 C ATOM 1826 O ASP A 113 10.279 -3.624 -4.908 1.00 0.59 O ATOM 1827 CB ASP A 113 11.332 -6.100 -2.956 1.00 0.58 C ATOM 1828 CG ASP A 113 12.327 -6.221 -4.092 1.00 0.67 C ATOM 1829 OD1 ASP A 113 13.279 -5.409 -4.147 1.00 0.77 O ATOM 1830 OD2 ASP A 113 12.192 -7.152 -4.909 1.00 0.78 O ATOM 0 H ASP A 113 9.757 -5.483 -1.160 1.00 0.50 H new ATOM 0 HA ASP A 113 11.567 -3.984 -2.766 1.00 0.53 H new ATOM 0 HB2 ASP A 113 11.822 -6.374 -2.022 1.00 0.58 H new ATOM 0 HB3 ASP A 113 10.523 -6.813 -3.113 1.00 0.58 H new ATOM 1835 N ALA A 114 8.645 -4.882 -3.992 1.00 0.54 N ATOM 1836 CA ALA A 114 7.685 -4.623 -5.050 1.00 0.57 C ATOM 1837 C ALA A 114 7.338 -3.145 -5.120 1.00 0.52 C ATOM 1838 O ALA A 114 7.230 -2.580 -6.211 1.00 0.57 O ATOM 1839 CB ALA A 114 6.419 -5.448 -4.862 1.00 0.59 C ATOM 0 H ALA A 114 8.298 -5.490 -3.250 1.00 0.54 H new ATOM 0 HA ALA A 114 8.150 -4.917 -5.991 1.00 0.57 H new ATOM 0 HB1 ALA A 114 5.720 -5.231 -5.670 1.00 0.59 H new ATOM 0 HB2 ALA A 114 6.671 -6.508 -4.874 1.00 0.59 H new ATOM 0 HB3 ALA A 114 5.959 -5.195 -3.907 1.00 0.59 H new ATOM 1845 N VAL A 115 7.176 -2.502 -3.967 1.00 0.46 N ATOM 1846 CA VAL A 115 6.811 -1.101 -3.986 1.00 0.41 C ATOM 1847 C VAL A 115 7.920 -0.252 -4.633 1.00 0.45 C ATOM 1848 O VAL A 115 7.661 0.451 -5.608 1.00 0.47 O ATOM 1849 CB VAL A 115 6.400 -0.533 -2.603 1.00 0.34 C ATOM 1850 CG1 VAL A 115 5.202 -1.290 -2.061 1.00 0.36 C ATOM 1851 CG2 VAL A 115 7.531 -0.541 -1.595 1.00 0.37 C ATOM 0 H VAL A 115 7.288 -2.916 -3.041 1.00 0.46 H new ATOM 0 HA VAL A 115 5.913 -1.038 -4.601 1.00 0.41 H new ATOM 0 HB VAL A 115 6.133 0.512 -2.760 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.923 -0.882 -1.090 1.00 0.36 H new ATOM 0 HG12 VAL A 115 4.365 -1.188 -2.751 1.00 0.36 H new ATOM 0 HG13 VAL A 115 5.457 -2.344 -1.952 1.00 0.36 H new ATOM 0 HG21 VAL A 115 7.178 -0.131 -0.649 1.00 0.37 H new ATOM 0 HG22 VAL A 115 7.875 -1.564 -1.442 1.00 0.37 H new ATOM 0 HG23 VAL A 115 8.355 0.066 -1.968 1.00 0.37 H new ATOM 1861 N LYS A 116 9.164 -0.377 -4.143 1.00 0.50 N ATOM 1862 CA LYS A 116 10.294 0.411 -4.675 1.00 0.59 C ATOM 1863 C LYS A 116 10.689 -0.020 -6.091 1.00 0.69 C ATOM 1864 O LYS A 116 11.421 0.692 -6.774 1.00 0.85 O ATOM 1865 CB LYS A 116 11.517 0.331 -3.738 1.00 0.76 C ATOM 1866 CG LYS A 116 11.775 -1.050 -3.148 1.00 1.16 C ATOM 1867 CD LYS A 116 13.061 -1.699 -3.646 1.00 0.92 C ATOM 1868 CE LYS A 116 12.963 -2.107 -5.104 1.00 0.80 C ATOM 1869 NZ LYS A 116 13.933 -3.180 -5.445 1.00 1.04 N ATOM 0 H LYS A 116 9.415 -1.011 -3.384 1.00 0.50 H new ATOM 0 HA LYS A 116 9.953 1.445 -4.727 1.00 0.59 H new ATOM 0 HB2 LYS A 116 12.402 0.647 -4.290 1.00 0.76 H new ATOM 0 HB3 LYS A 116 11.380 1.040 -2.922 1.00 0.76 H new ATOM 0 HG2 LYS A 116 11.816 -0.969 -2.062 1.00 1.16 H new ATOM 0 HG3 LYS A 116 10.934 -1.701 -3.388 1.00 1.16 H new ATOM 0 HD2 LYS A 116 13.891 -1.004 -3.519 1.00 0.92 H new ATOM 0 HD3 LYS A 116 13.284 -2.576 -3.038 1.00 0.92 H new ATOM 0 HE2 LYS A 116 11.951 -2.451 -5.318 1.00 0.80 H new ATOM 0 HE3 LYS A 116 13.145 -1.239 -5.737 1.00 0.80 H new ATOM 0 HZ1 LYS A 116 14.160 -3.133 -6.459 1.00 1.04 H new ATOM 0 HZ2 LYS A 116 14.802 -3.051 -4.889 1.00 1.04 H new ATOM 0 HZ3 LYS A 116 13.516 -4.107 -5.226 1.00 1.04 H new ATOM 1883 N LYS A 117 10.262 -1.199 -6.535 1.00 0.71 N ATOM 1884 CA LYS A 117 10.529 -1.588 -7.917 1.00 0.81 C ATOM 1885 C LYS A 117 9.483 -1.003 -8.863 1.00 0.79 C ATOM 1886 O LYS A 117 9.765 -0.788 -10.042 1.00 0.90 O ATOM 1887 CB LYS A 117 10.623 -3.106 -8.087 1.00 0.89 C ATOM 1888 CG LYS A 117 9.346 -3.860 -7.775 1.00 0.85 C ATOM 1889 CD LYS A 117 9.511 -5.349 -8.028 1.00 1.09 C ATOM 1890 CE LYS A 117 10.553 -5.940 -7.096 1.00 1.08 C ATOM 1891 NZ LYS A 117 10.873 -7.354 -7.412 1.00 1.48 N ATOM 0 H LYS A 117 9.746 -1.882 -5.980 1.00 0.71 H new ATOM 0 HA LYS A 117 11.503 -1.174 -8.178 1.00 0.81 H new ATOM 0 HB2 LYS A 117 10.916 -3.325 -9.114 1.00 0.89 H new ATOM 0 HB3 LYS A 117 11.417 -3.481 -7.442 1.00 0.89 H new ATOM 0 HG2 LYS A 117 9.068 -3.694 -6.734 1.00 0.85 H new ATOM 0 HG3 LYS A 117 8.533 -3.472 -8.388 1.00 0.85 H new ATOM 0 HD2 LYS A 117 8.557 -5.855 -7.882 1.00 1.09 H new ATOM 0 HD3 LYS A 117 9.806 -5.516 -9.064 1.00 1.09 H new ATOM 0 HE2 LYS A 117 11.464 -5.345 -7.153 1.00 1.08 H new ATOM 0 HE3 LYS A 117 10.194 -5.875 -6.069 1.00 1.08 H new ATOM 0 HZ1 LYS A 117 11.484 -7.746 -6.667 1.00 1.48 H new ATOM 0 HZ2 LYS A 117 9.993 -7.906 -7.464 1.00 1.48 H new ATOM 0 HZ3 LYS A 117 11.367 -7.402 -8.326 1.00 1.48 H new ATOM 1905 N TYR A 118 8.278 -0.750 -8.355 1.00 0.69 N ATOM 1906 CA TYR A 118 7.267 -0.050 -9.141 1.00 0.68 C ATOM 1907 C TYR A 118 7.514 1.453 -9.086 1.00 0.69 C ATOM 1908 O TYR A 118 7.722 2.100 -10.114 1.00 0.77 O ATOM 1909 CB TYR A 118 5.849 -0.364 -8.644 1.00 0.64 C ATOM 1910 CG TYR A 118 5.378 -1.776 -8.932 1.00 0.88 C ATOM 1911 CD1 TYR A 118 5.658 -2.384 -10.150 1.00 1.48 C ATOM 1912 CD2 TYR A 118 4.675 -2.508 -7.981 1.00 1.04 C ATOM 1913 CE1 TYR A 118 5.246 -3.676 -10.416 1.00 1.86 C ATOM 1914 CE2 TYR A 118 4.263 -3.803 -8.239 1.00 1.43 C ATOM 1915 CZ TYR A 118 4.475 -4.355 -9.463 1.00 1.73 C ATOM 1916 OH TYR A 118 4.149 -5.673 -9.717 1.00 2.21 O ATOM 0 H TYR A 118 7.982 -1.015 -7.416 1.00 0.69 H new ATOM 0 HA TYR A 118 7.346 -0.396 -10.171 1.00 0.68 H new ATOM 0 HB2 TYR A 118 5.809 -0.194 -7.568 1.00 0.64 H new ATOM 0 HB3 TYR A 118 5.153 0.338 -9.104 1.00 0.64 H new ATOM 0 HD1 TYR A 118 6.207 -1.837 -10.902 1.00 1.48 H new ATOM 0 HD2 TYR A 118 4.447 -2.058 -7.026 1.00 1.04 H new ATOM 0 HE1 TYR A 118 5.515 -4.156 -11.346 1.00 1.86 H new ATOM 0 HE2 TYR A 118 3.772 -4.377 -7.467 1.00 1.43 H new ATOM 0 HH TYR A 118 3.613 -6.026 -8.976 1.00 2.21 H new ATOM 1926 N LEU A 119 7.492 1.996 -7.882 1.00 0.66 N ATOM 1927 CA LEU A 119 7.814 3.393 -7.661 1.00 0.69 C ATOM 1928 C LEU A 119 8.998 3.467 -6.713 1.00 0.72 C ATOM 1929 O LEU A 119 8.876 3.123 -5.546 1.00 0.79 O ATOM 1930 CB LEU A 119 6.616 4.149 -7.077 1.00 0.71 C ATOM 1931 CG LEU A 119 6.825 5.654 -6.906 1.00 1.34 C ATOM 1932 CD1 LEU A 119 6.969 6.334 -8.258 1.00 2.00 C ATOM 1933 CD2 LEU A 119 5.680 6.265 -6.118 1.00 2.09 C ATOM 0 H LEU A 119 7.251 1.483 -7.034 1.00 0.66 H new ATOM 0 HA LEU A 119 8.064 3.862 -8.612 1.00 0.69 H new ATOM 0 HB2 LEU A 119 5.753 3.988 -7.723 1.00 0.71 H new ATOM 0 HB3 LEU A 119 6.372 3.718 -6.106 1.00 0.71 H new ATOM 0 HG LEU A 119 7.748 5.810 -6.347 1.00 1.34 H new ATOM 0 HD11 LEU A 119 7.117 7.404 -8.113 1.00 2.00 H new ATOM 0 HD12 LEU A 119 7.827 5.917 -8.785 1.00 2.00 H new ATOM 0 HD13 LEU A 119 6.066 6.169 -8.846 1.00 2.00 H new ATOM 0 HD21 LEU A 119 5.846 7.336 -6.006 1.00 2.09 H new ATOM 0 HD22 LEU A 119 4.743 6.096 -6.648 1.00 2.09 H new ATOM 0 HD23 LEU A 119 5.628 5.801 -5.133 1.00 2.09 H new ATOM 1945 N PRO A 120 10.176 3.836 -7.225 1.00 0.72 N ATOM 1946 CA PRO A 120 11.400 3.861 -6.447 1.00 0.75 C ATOM 1947 C PRO A 120 11.820 5.251 -5.960 1.00 0.77 C ATOM 1948 O PRO A 120 11.637 6.263 -6.653 1.00 0.92 O ATOM 1949 CB PRO A 120 12.408 3.360 -7.468 1.00 0.79 C ATOM 1950 CG PRO A 120 11.893 3.827 -8.800 1.00 0.78 C ATOM 1951 CD PRO A 120 10.435 4.194 -8.619 1.00 0.75 C ATOM 0 HA PRO A 120 11.303 3.282 -5.528 1.00 0.75 H new ATOM 0 HB2 PRO A 120 13.402 3.761 -7.268 1.00 0.79 H new ATOM 0 HB3 PRO A 120 12.491 2.274 -7.438 1.00 0.79 H new ATOM 0 HG2 PRO A 120 12.464 4.686 -9.152 1.00 0.78 H new ATOM 0 HG3 PRO A 120 12.001 3.043 -9.550 1.00 0.78 H new ATOM 0 HD2 PRO A 120 10.260 5.254 -8.803 1.00 0.75 H new ATOM 0 HD3 PRO A 120 9.792 3.641 -9.304 1.00 0.75 H new ATOM 1959 N LEU A 121 12.437 5.282 -4.785 1.00 0.70 N ATOM 1960 CA LEU A 121 12.966 6.507 -4.221 1.00 0.69 C ATOM 1961 C LEU A 121 14.475 6.426 -4.094 1.00 0.82 C ATOM 1962 O LEU A 121 15.218 7.121 -4.788 1.00 1.00 O ATOM 1963 CB LEU A 121 12.366 6.748 -2.833 1.00 0.55 C ATOM 1964 CG LEU A 121 12.981 7.899 -2.034 1.00 0.58 C ATOM 1965 CD1 LEU A 121 13.063 9.170 -2.858 1.00 1.23 C ATOM 1966 CD2 LEU A 121 12.180 8.139 -0.775 1.00 1.25 C ATOM 0 H LEU A 121 12.582 4.458 -4.201 1.00 0.70 H new ATOM 0 HA LEU A 121 12.702 7.329 -4.887 1.00 0.69 H new ATOM 0 HB2 LEU A 121 11.299 6.939 -2.947 1.00 0.55 H new ATOM 0 HB3 LEU A 121 12.465 5.832 -2.251 1.00 0.55 H new ATOM 0 HG LEU A 121 13.998 7.616 -1.765 1.00 0.58 H new ATOM 0 HD11 LEU A 121 13.505 9.965 -2.257 1.00 1.23 H new ATOM 0 HD12 LEU A 121 13.681 8.994 -3.738 1.00 1.23 H new ATOM 0 HD13 LEU A 121 12.062 9.466 -3.171 1.00 1.23 H new ATOM 0 HD21 LEU A 121 12.624 8.960 -0.212 1.00 1.25 H new ATOM 0 HD22 LEU A 121 11.154 8.394 -1.040 1.00 1.25 H new ATOM 0 HD23 LEU A 121 12.183 7.236 -0.164 1.00 1.25 H new ATOM 1978 N LYS A 122 14.911 5.554 -3.207 1.00 0.82 N ATOM 1979 CA LYS A 122 16.306 5.504 -2.800 1.00 1.05 C ATOM 1980 C LYS A 122 16.820 4.083 -2.783 1.00 1.07 C ATOM 1981 O LYS A 122 17.958 3.840 -3.170 1.00 1.32 O ATOM 1982 CB LYS A 122 16.454 6.109 -1.415 1.00 1.11 C ATOM 1983 CG LYS A 122 16.192 7.611 -1.380 1.00 1.18 C ATOM 1984 CD LYS A 122 16.359 8.174 0.018 1.00 1.87 C ATOM 1985 CE LYS A 122 16.188 9.684 0.034 1.00 2.07 C ATOM 1986 NZ LYS A 122 17.163 10.369 -0.856 1.00 2.78 N ATOM 0 H LYS A 122 14.316 4.864 -2.749 1.00 0.82 H new ATOM 0 HA LYS A 122 16.891 6.073 -3.522 1.00 1.05 H new ATOM 0 HB2 LYS A 122 15.764 5.611 -0.733 1.00 1.11 H new ATOM 0 HB3 LYS A 122 17.461 5.915 -1.047 1.00 1.11 H new ATOM 0 HG2 LYS A 122 16.877 8.116 -2.061 1.00 1.18 H new ATOM 0 HG3 LYS A 122 15.182 7.813 -1.736 1.00 1.18 H new ATOM 0 HD2 LYS A 122 15.628 7.717 0.685 1.00 1.87 H new ATOM 0 HD3 LYS A 122 17.346 7.914 0.400 1.00 1.87 H new ATOM 0 HE2 LYS A 122 15.174 9.937 -0.278 1.00 2.07 H new ATOM 0 HE3 LYS A 122 16.309 10.051 1.053 1.00 2.07 H new ATOM 0 HZ1 LYS A 122 17.199 11.381 -0.618 1.00 2.78 H new ATOM 0 HZ2 LYS A 122 18.106 9.949 -0.727 1.00 2.78 H new ATOM 0 HZ3 LYS A 122 16.867 10.257 -1.847 1.00 2.78 H new ATOM 2000 N SER A 123 15.986 3.172 -2.270 1.00 0.92 N ATOM 2001 CA SER A 123 16.267 1.730 -2.312 1.00 1.00 C ATOM 2002 C SER A 123 16.954 1.361 -3.628 1.00 1.56 C ATOM 2003 O SER A 123 16.319 1.266 -4.681 1.00 2.17 O ATOM 2004 CB SER A 123 14.966 0.941 -2.137 1.00 0.86 C ATOM 2005 OG SER A 123 14.299 1.334 -0.948 1.00 1.48 O ATOM 0 H SER A 123 15.103 3.409 -1.817 1.00 0.92 H new ATOM 0 HA SER A 123 16.941 1.474 -1.495 1.00 1.00 H new ATOM 0 HB2 SER A 123 14.316 1.106 -2.996 1.00 0.86 H new ATOM 0 HB3 SER A 123 15.184 -0.126 -2.102 1.00 0.86 H new ATOM 0 HG SER A 123 13.732 0.599 -0.633 1.00 1.48 H new ATOM 2011 N ASN A 124 18.263 1.164 -3.549 1.00 2.15 N ATOM 2012 CA ASN A 124 19.119 1.203 -4.725 1.00 2.87 C ATOM 2013 C ASN A 124 19.577 -0.184 -5.160 1.00 3.13 C ATOM 2014 O ASN A 124 19.864 -1.047 -4.331 1.00 3.71 O ATOM 2015 CB ASN A 124 20.333 2.091 -4.426 1.00 3.66 C ATOM 2016 CG ASN A 124 21.185 2.363 -5.647 1.00 4.66 C ATOM 2017 OD1 ASN A 124 22.125 1.627 -5.940 1.00 5.26 O ATOM 2018 ND2 ASN A 124 20.864 3.428 -6.364 1.00 5.20 N ATOM 0 H ASN A 124 18.757 0.975 -2.677 1.00 2.15 H new ATOM 0 HA ASN A 124 18.539 1.615 -5.551 1.00 2.87 H new ATOM 0 HB2 ASN A 124 19.989 3.039 -4.012 1.00 3.66 H new ATOM 0 HB3 ASN A 124 20.946 1.613 -3.662 1.00 3.66 H new ATOM 0 HD21 ASN A 124 21.405 3.665 -7.196 1.00 5.20 H new ATOM 0 HD22 ASN A 124 20.076 4.012 -6.085 1.00 5.20 H new ATOM 2025 N LEU A 125 19.624 -0.382 -6.474 1.00 3.30 N ATOM 2026 CA LEU A 125 20.168 -1.598 -7.067 1.00 4.11 C ATOM 2027 C LEU A 125 21.150 -1.234 -8.178 1.00 4.82 C ATOM 2028 O LEU A 125 21.592 -2.093 -8.940 1.00 5.53 O ATOM 2029 CB LEU A 125 19.043 -2.474 -7.631 1.00 4.53 C ATOM 2030 CG LEU A 125 18.076 -3.052 -6.597 1.00 5.13 C ATOM 2031 CD1 LEU A 125 16.957 -3.811 -7.284 1.00 5.75 C ATOM 2032 CD2 LEU A 125 18.814 -3.961 -5.625 1.00 5.59 C ATOM 0 H LEU A 125 19.286 0.296 -7.157 1.00 3.30 H new ATOM 0 HA LEU A 125 20.689 -2.161 -6.293 1.00 4.11 H new ATOM 0 HB2 LEU A 125 18.471 -1.884 -8.347 1.00 4.53 H new ATOM 0 HB3 LEU A 125 19.492 -3.299 -8.184 1.00 4.53 H new ATOM 0 HG LEU A 125 17.641 -2.226 -6.034 1.00 5.13 H new ATOM 0 HD11 LEU A 125 16.278 -4.216 -6.534 1.00 5.75 H new ATOM 0 HD12 LEU A 125 16.410 -3.136 -7.942 1.00 5.75 H new ATOM 0 HD13 LEU A 125 17.378 -4.628 -7.871 1.00 5.75 H new ATOM 0 HD21 LEU A 125 18.110 -4.363 -4.897 1.00 5.59 H new ATOM 0 HD22 LEU A 125 19.276 -4.781 -6.174 1.00 5.59 H new ATOM 0 HD23 LEU A 125 19.585 -3.391 -5.107 1.00 5.59 H new ATOM 2044 N GLU A 126 21.492 0.049 -8.246 1.00 5.03 N ATOM 2045 CA GLU A 126 22.368 0.573 -9.287 1.00 6.01 C ATOM 2046 C GLU A 126 22.806 1.990 -8.927 1.00 6.63 C ATOM 2047 O GLU A 126 21.982 2.903 -8.848 1.00 6.74 O ATOM 2048 CB GLU A 126 21.656 0.581 -10.643 1.00 6.68 C ATOM 2049 CG GLU A 126 22.532 1.061 -11.788 1.00 7.19 C ATOM 2050 CD GLU A 126 21.783 1.150 -13.097 1.00 8.09 C ATOM 2051 OE1 GLU A 126 21.557 0.097 -13.731 1.00 8.43 O ATOM 2052 OE2 GLU A 126 21.400 2.270 -13.493 1.00 8.65 O ATOM 0 H GLU A 126 21.170 0.753 -7.582 1.00 5.03 H new ATOM 0 HA GLU A 126 23.243 -0.072 -9.360 1.00 6.01 H new ATOM 0 HB2 GLU A 126 21.303 -0.426 -10.864 1.00 6.68 H new ATOM 0 HB3 GLU A 126 20.776 1.220 -10.578 1.00 6.68 H new ATOM 0 HG2 GLU A 126 22.941 2.041 -11.541 1.00 7.19 H new ATOM 0 HG3 GLU A 126 23.377 0.382 -11.903 1.00 7.19 H new ATOM 2059 N HIS A 127 24.096 2.169 -8.704 1.00 7.33 N ATOM 2060 CA HIS A 127 24.628 3.465 -8.305 1.00 8.24 C ATOM 2061 C HIS A 127 25.023 4.265 -9.534 1.00 8.84 C ATOM 2062 O HIS A 127 24.606 5.408 -9.709 1.00 8.87 O ATOM 2063 CB HIS A 127 25.837 3.296 -7.381 1.00 8.80 C ATOM 2064 CG HIS A 127 25.507 2.663 -6.062 1.00 9.00 C ATOM 2065 ND1 HIS A 127 25.169 3.389 -4.940 1.00 9.40 N ATOM 2066 CD2 HIS A 127 25.461 1.361 -5.689 1.00 9.14 C ATOM 2067 CE1 HIS A 127 24.928 2.564 -3.940 1.00 9.73 C ATOM 2068 NE2 HIS A 127 25.098 1.327 -4.366 1.00 9.58 N ATOM 0 H HIS A 127 24.797 1.434 -8.792 1.00 7.33 H new ATOM 0 HA HIS A 127 23.851 4.002 -7.761 1.00 8.24 H new ATOM 0 HB2 HIS A 127 26.587 2.689 -7.887 1.00 8.80 H new ATOM 0 HB3 HIS A 127 26.285 4.273 -7.202 1.00 8.80 H new ATOM 0 HD2 HIS A 127 25.671 0.508 -6.317 1.00 9.14 H new ATOM 0 HE1 HIS A 127 24.640 2.853 -2.940 1.00 9.73 H new ATOM 0 HE2 HIS A 127 24.979 0.484 -3.804 1.00 9.58 H new ATOM 2077 N HIS A 128 25.833 3.653 -10.376 1.00 9.55 N ATOM 2078 CA HIS A 128 26.221 4.262 -11.639 1.00 10.37 C ATOM 2079 C HIS A 128 25.672 3.429 -12.785 1.00 10.87 C ATOM 2080 O HIS A 128 24.672 3.782 -13.406 1.00 11.49 O ATOM 2081 CB HIS A 128 27.744 4.371 -11.757 1.00 11.23 C ATOM 2082 CG HIS A 128 28.377 5.278 -10.747 1.00 11.65 C ATOM 2083 ND1 HIS A 128 29.481 4.921 -10.006 1.00 12.20 N ATOM 2084 CD2 HIS A 128 28.074 6.543 -10.376 1.00 11.83 C ATOM 2085 CE1 HIS A 128 29.826 5.924 -9.222 1.00 12.67 C ATOM 2086 NE2 HIS A 128 28.990 6.923 -9.428 1.00 12.47 N ATOM 0 H HIS A 128 26.238 2.732 -10.210 1.00 9.55 H new ATOM 0 HA HIS A 128 25.809 5.270 -11.680 1.00 10.37 H new ATOM 0 HB2 HIS A 128 28.177 3.376 -11.656 1.00 11.23 H new ATOM 0 HB3 HIS A 128 27.995 4.728 -12.756 1.00 11.23 H new ATOM 0 HD2 HIS A 128 27.261 7.143 -10.756 1.00 11.83 H new ATOM 0 HE1 HIS A 128 30.654 5.927 -8.528 1.00 12.67 H new ATOM 0 HE2 HIS A 128 29.020 7.829 -8.960 1.00 12.47 H new ATOM 2095 N HIS A 129 26.333 2.315 -13.045 1.00 10.78 N ATOM 2096 CA HIS A 129 25.868 1.335 -14.011 1.00 11.47 C ATOM 2097 C HIS A 129 26.025 -0.048 -13.408 1.00 12.43 C ATOM 2098 O HIS A 129 26.833 -0.233 -12.497 1.00 12.92 O ATOM 2099 CB HIS A 129 26.669 1.409 -15.318 1.00 11.24 C ATOM 2100 CG HIS A 129 26.423 2.639 -16.138 1.00 11.36 C ATOM 2101 ND1 HIS A 129 25.698 2.626 -17.308 1.00 11.57 N ATOM 2102 CD2 HIS A 129 26.838 3.917 -15.971 1.00 11.54 C ATOM 2103 CE1 HIS A 129 25.676 3.840 -17.824 1.00 11.86 C ATOM 2104 NE2 HIS A 129 26.361 4.644 -17.033 1.00 11.85 N ATOM 0 H HIS A 129 27.211 2.063 -12.590 1.00 10.78 H new ATOM 0 HA HIS A 129 24.824 1.544 -14.244 1.00 11.47 H new ATOM 0 HB2 HIS A 129 27.731 1.355 -15.080 1.00 11.24 H new ATOM 0 HB3 HIS A 129 26.433 0.533 -15.922 1.00 11.24 H new ATOM 0 HD2 HIS A 129 27.434 4.295 -15.153 1.00 11.54 H new ATOM 0 HE1 HIS A 129 25.181 4.127 -18.740 1.00 11.86 H new ATOM 0 HE2 HIS A 129 26.511 5.641 -17.186 1.00 11.85 H new ATOM 2113 N HIS A 130 25.254 -1.010 -13.886 1.00 12.86 N ATOM 2114 CA HIS A 130 25.450 -2.386 -13.463 1.00 13.91 C ATOM 2115 C HIS A 130 26.690 -2.948 -14.145 1.00 14.53 C ATOM 2116 O HIS A 130 26.805 -2.911 -15.371 1.00 14.74 O ATOM 2117 CB HIS A 130 24.209 -3.263 -13.730 1.00 14.42 C ATOM 2118 CG HIS A 130 23.601 -3.133 -15.100 1.00 15.19 C ATOM 2119 ND1 HIS A 130 22.307 -2.702 -15.303 1.00 15.61 N ATOM 2120 CD2 HIS A 130 24.099 -3.398 -16.330 1.00 15.79 C ATOM 2121 CE1 HIS A 130 22.041 -2.704 -16.595 1.00 16.39 C ATOM 2122 NE2 HIS A 130 23.109 -3.121 -17.239 1.00 16.51 N ATOM 0 H HIS A 130 24.498 -0.868 -14.556 1.00 12.86 H new ATOM 0 HA HIS A 130 25.598 -2.397 -12.383 1.00 13.91 H new ATOM 0 HB2 HIS A 130 24.483 -4.306 -13.572 1.00 14.42 H new ATOM 0 HB3 HIS A 130 23.447 -3.018 -12.990 1.00 14.42 H new ATOM 0 HD2 HIS A 130 25.091 -3.760 -16.555 1.00 15.79 H new ATOM 0 HE1 HIS A 130 21.105 -2.413 -17.047 1.00 16.39 H new ATOM 0 HE2 HIS A 130 23.189 -3.222 -18.251 1.00 16.51 H new ATOM 2131 N HIS A 131 27.634 -3.432 -13.354 1.00 14.97 N ATOM 2132 CA HIS A 131 28.883 -3.933 -13.912 1.00 15.74 C ATOM 2133 C HIS A 131 28.693 -5.336 -14.467 1.00 16.72 C ATOM 2134 O HIS A 131 28.688 -6.326 -13.737 1.00 17.05 O ATOM 2135 CB HIS A 131 30.041 -3.882 -12.894 1.00 15.86 C ATOM 2136 CG HIS A 131 29.820 -4.629 -11.612 1.00 16.30 C ATOM 2137 ND1 HIS A 131 30.222 -5.932 -11.420 1.00 16.54 N ATOM 2138 CD2 HIS A 131 29.265 -4.235 -10.445 1.00 16.69 C ATOM 2139 CE1 HIS A 131 29.921 -6.306 -10.194 1.00 17.06 C ATOM 2140 NE2 HIS A 131 29.341 -5.295 -9.578 1.00 17.15 N ATOM 0 H HIS A 131 27.563 -3.489 -12.338 1.00 14.97 H new ATOM 0 HA HIS A 131 29.163 -3.273 -14.733 1.00 15.74 H new ATOM 0 HB2 HIS A 131 30.937 -4.277 -13.372 1.00 15.86 H new ATOM 0 HB3 HIS A 131 30.242 -2.838 -12.654 1.00 15.86 H new ATOM 0 HD2 HIS A 131 28.840 -3.265 -10.234 1.00 16.69 H new ATOM 0 HE1 HIS A 131 30.116 -7.278 -9.765 1.00 17.06 H new ATOM 0 HE2 HIS A 131 29.004 -5.300 -8.615 1.00 17.15 H new ATOM 2149 N HIS A 132 28.501 -5.401 -15.771 1.00 17.28 N ATOM 2150 CA HIS A 132 28.298 -6.659 -16.460 1.00 18.32 C ATOM 2151 C HIS A 132 28.535 -6.454 -17.947 1.00 19.08 C ATOM 2152 O HIS A 132 27.590 -6.043 -18.649 1.00 19.24 O ATOM 2153 CB HIS A 132 26.881 -7.188 -16.214 1.00 18.50 C ATOM 2154 CG HIS A 132 26.688 -8.614 -16.626 1.00 18.62 C ATOM 2155 ND1 HIS A 132 26.941 -9.675 -15.785 1.00 18.99 N ATOM 2156 CD2 HIS A 132 26.259 -9.155 -17.790 1.00 18.56 C ATOM 2157 CE1 HIS A 132 26.677 -10.806 -16.411 1.00 19.14 C ATOM 2158 NE2 HIS A 132 26.262 -10.518 -17.628 1.00 18.89 N ATOM 2159 OXT HIS A 132 29.671 -6.679 -18.399 1.00 19.60 O ATOM 0 H HIS A 132 28.482 -4.584 -16.381 1.00 17.28 H new ATOM 0 HA HIS A 132 29.003 -7.397 -16.076 1.00 18.32 H new ATOM 0 HB2 HIS A 132 26.646 -7.091 -15.154 1.00 18.50 H new ATOM 0 HB3 HIS A 132 26.171 -6.564 -16.756 1.00 18.50 H new ATOM 0 HD2 HIS A 132 25.969 -8.616 -18.679 1.00 18.56 H new ATOM 0 HE1 HIS A 132 26.783 -11.798 -15.997 1.00 19.14 H new ATOM 0 HE2 HIS A 132 25.987 -11.199 -18.336 1.00 18.89 H new TER 2168 HIS A 132