USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=23 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 116 LYS NZ :NH3+ 168:sc= 0.986 (180deg=0) USER MOD Set 1.2: A 124 ASN : amide:sc= 0.865 K(o=1.9,f=-9.6!) USER MOD Set 2.1: A 20 ASN : amide:sc= -0.659 K(o=-2.9,f=-1.8) USER MOD Set 2.2: A 24 ASN : amide:sc= -0.0922 K(o=-2.9,f=-0.63) USER MOD Set 2.3: A 30 THR OG1 : rot 70:sc= -0.654 USER MOD Set 2.4: A 32 GLN : amide:sc= -1.47 K(o=-2.9,f=-0.63) USER MOD Set 3.1: A 3 ASN : amide:sc= -1.35 K(o=0.018,f=-1.9) USER MOD Set 3.2: A 5 LYS NZ :NH3+ 171:sc= 1.76 (180deg=1.21) USER MOD Set 3.3: A 29 GLN : amide:sc= -0.387 K(o=0.018,f=-2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0339 (180deg=-0.3) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.25! K(o=-2.2!,f=-1.7) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= 0.347 (180deg=0.169) USER MOD Single : A 28 TYR OH : rot 117:sc= 0.766 USER MOD Single : A 35 ASN : amide:sc= -6.27! K(o=-6.3!,f=-1.7) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 154:sc= -0.655 (180deg=-2.04!) USER MOD Single : A 56 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.104) USER MOD Single : A 60 MET CE :methyl -168:sc= -1.56 (180deg=-2.08!) USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 2.43 (180deg=2.39) USER MOD Single : A 69 MET CE :methyl 162:sc= -8.29! (180deg=-10.3!) USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= 1.48 (180deg=1.12!) USER MOD Single : A 75 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.013) USER MOD Single : A 81 MET CE :methyl 148:sc= -0.393 (180deg=-1.44!) USER MOD Single : A 82 THR OG1 : rot 53:sc= 1.48 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 148:sc= -0.34 (180deg=-1.26!) USER MOD Single : A 91 GLN : amide:sc= -1.46! X(o=-1.5!,f=-1.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0.351 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 155:sc= -2.05! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 164:sc= -0.0547 (180deg=-0.334) USER MOD Single : A 123 SER OG : rot 128:sc= 1.36 USER MOD Single : A 127 HIS : no HD1:sc= -1.49 K(o=-1.5,f=0.16) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.018) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc=-0.00967 X(o=-0.0097,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.733 7.941 -10.891 1.00 4.15 N ATOM 2 CA MET A 1 10.343 9.038 -10.108 1.00 3.53 C ATOM 3 C MET A 1 9.521 9.310 -8.851 1.00 2.88 C ATOM 4 O MET A 1 9.789 8.720 -7.801 1.00 3.29 O ATOM 5 CB MET A 1 10.467 10.308 -10.958 1.00 3.87 C ATOM 6 CG MET A 1 11.337 10.131 -12.193 1.00 4.48 C ATOM 7 SD MET A 1 11.419 11.617 -13.210 1.00 5.46 S ATOM 8 CE MET A 1 12.428 11.033 -14.571 1.00 6.07 C ATOM 0 H1 MET A 1 10.417 7.594 -11.593 1.00 4.15 H new ATOM 0 H2 MET A 1 9.468 7.164 -10.252 1.00 4.15 H new ATOM 0 H3 MET A 1 8.885 8.293 -11.379 1.00 4.15 H new ATOM 0 HA MET A 1 11.346 8.733 -9.808 1.00 3.53 H new ATOM 0 HB2 MET A 1 9.472 10.627 -11.268 1.00 3.87 H new ATOM 0 HB3 MET A 1 10.881 11.108 -10.344 1.00 3.87 H new ATOM 0 HG2 MET A 1 12.344 9.851 -11.885 1.00 4.48 H new ATOM 0 HG3 MET A 1 10.947 9.308 -12.792 1.00 4.48 H new ATOM 0 HE1 MET A 1 12.571 11.840 -15.290 1.00 6.07 H new ATOM 0 HE2 MET A 1 13.397 10.708 -14.192 1.00 6.07 H new ATOM 0 HE3 MET A 1 11.930 10.195 -15.060 1.00 6.07 H new ATOM 20 N MET A 2 8.505 10.169 -8.968 1.00 2.34 N ATOM 21 CA MET A 2 7.621 10.504 -7.842 1.00 1.89 C ATOM 22 C MET A 2 8.408 10.948 -6.605 1.00 1.54 C ATOM 23 O MET A 2 9.602 11.258 -6.678 1.00 2.12 O ATOM 24 CB MET A 2 6.724 9.309 -7.477 1.00 1.97 C ATOM 25 CG MET A 2 5.595 9.045 -8.463 1.00 2.44 C ATOM 26 SD MET A 2 6.165 8.344 -10.024 1.00 3.03 S ATOM 27 CE MET A 2 4.599 8.082 -10.855 1.00 3.88 C ATOM 0 H MET A 2 8.271 10.650 -9.837 1.00 2.34 H new ATOM 0 HA MET A 2 7.000 11.339 -8.168 1.00 1.89 H new ATOM 0 HB2 MET A 2 7.343 8.415 -7.404 1.00 1.97 H new ATOM 0 HB3 MET A 2 6.295 9.481 -6.490 1.00 1.97 H new ATOM 0 HG2 MET A 2 4.875 8.365 -8.008 1.00 2.44 H new ATOM 0 HG3 MET A 2 5.069 9.979 -8.662 1.00 2.44 H new ATOM 0 HE1 MET A 2 4.777 7.650 -11.840 1.00 3.88 H new ATOM 0 HE2 MET A 2 3.984 7.401 -10.266 1.00 3.88 H new ATOM 0 HE3 MET A 2 4.081 9.035 -10.965 1.00 3.88 H new ATOM 37 N ASN A 3 7.717 11.009 -5.478 1.00 0.88 N ATOM 38 CA ASN A 3 8.343 11.297 -4.199 1.00 0.71 C ATOM 39 C ASN A 3 8.275 10.052 -3.310 1.00 0.66 C ATOM 40 O ASN A 3 8.843 10.022 -2.221 1.00 1.42 O ATOM 41 CB ASN A 3 7.625 12.480 -3.538 1.00 0.84 C ATOM 42 CG ASN A 3 8.351 13.038 -2.326 1.00 1.38 C ATOM 43 OD1 ASN A 3 7.718 13.486 -1.372 1.00 2.35 O ATOM 44 ND2 ASN A 3 9.674 13.052 -2.365 1.00 1.61 N ATOM 0 H ASN A 3 6.709 10.861 -5.425 1.00 0.88 H new ATOM 0 HA ASN A 3 9.390 11.563 -4.345 1.00 0.71 H new ATOM 0 HB2 ASN A 3 7.501 13.275 -4.274 1.00 0.84 H new ATOM 0 HB3 ASN A 3 6.626 12.165 -3.238 1.00 0.84 H new ATOM 0 HD21 ASN A 3 10.203 13.444 -1.586 1.00 1.61 H new ATOM 0 HD22 ASN A 3 10.164 12.671 -3.174 1.00 1.61 H new ATOM 51 N GLU A 4 7.564 9.033 -3.806 1.00 0.57 N ATOM 52 CA GLU A 4 7.426 7.737 -3.130 1.00 0.38 C ATOM 53 C GLU A 4 6.601 7.857 -1.839 1.00 0.32 C ATOM 54 O GLU A 4 7.113 8.170 -0.760 1.00 0.50 O ATOM 55 CB GLU A 4 8.813 7.096 -2.909 1.00 0.52 C ATOM 56 CG GLU A 4 8.838 5.928 -1.939 1.00 0.64 C ATOM 57 CD GLU A 4 10.017 4.997 -2.143 1.00 1.56 C ATOM 58 OE1 GLU A 4 10.137 4.419 -3.240 1.00 1.85 O ATOM 59 OE2 GLU A 4 10.834 4.848 -1.211 1.00 2.30 O ATOM 0 H GLU A 4 7.065 9.084 -4.694 1.00 0.57 H new ATOM 0 HA GLU A 4 6.863 7.063 -3.776 1.00 0.38 H new ATOM 0 HB2 GLU A 4 9.196 6.757 -3.871 1.00 0.52 H new ATOM 0 HB3 GLU A 4 9.497 7.864 -2.546 1.00 0.52 H new ATOM 0 HG2 GLU A 4 8.862 6.313 -0.920 1.00 0.64 H new ATOM 0 HG3 GLU A 4 7.914 5.359 -2.044 1.00 0.64 H new ATOM 66 N LYS A 5 5.296 7.634 -1.982 1.00 0.21 N ATOM 67 CA LYS A 5 4.348 7.748 -0.880 1.00 0.14 C ATOM 68 C LYS A 5 3.453 6.528 -0.818 1.00 0.11 C ATOM 69 O LYS A 5 3.175 5.890 -1.836 1.00 0.12 O ATOM 70 CB LYS A 5 3.477 8.983 -1.077 1.00 0.16 C ATOM 71 CG LYS A 5 2.811 9.451 0.199 1.00 0.16 C ATOM 72 CD LYS A 5 3.368 10.788 0.637 1.00 0.30 C ATOM 73 CE LYS A 5 3.159 11.860 -0.413 1.00 0.54 C ATOM 74 NZ LYS A 5 3.685 13.174 0.038 1.00 0.80 N ATOM 0 H LYS A 5 4.867 7.369 -2.869 1.00 0.21 H new ATOM 0 HA LYS A 5 4.912 7.829 0.049 1.00 0.14 H new ATOM 0 HB2 LYS A 5 4.089 9.791 -1.478 1.00 0.16 H new ATOM 0 HB3 LYS A 5 2.711 8.765 -1.821 1.00 0.16 H new ATOM 0 HG2 LYS A 5 1.735 9.533 0.044 1.00 0.16 H new ATOM 0 HG3 LYS A 5 2.964 8.713 0.986 1.00 0.16 H new ATOM 0 HD2 LYS A 5 2.889 11.093 1.567 1.00 0.30 H new ATOM 0 HD3 LYS A 5 4.433 10.687 0.845 1.00 0.30 H new ATOM 0 HE2 LYS A 5 3.655 11.566 -1.338 1.00 0.54 H new ATOM 0 HE3 LYS A 5 2.096 11.950 -0.636 1.00 0.54 H new ATOM 0 HZ1 LYS A 5 3.666 13.846 -0.755 1.00 0.80 H new ATOM 0 HZ2 LYS A 5 3.095 13.537 0.814 1.00 0.80 H new ATOM 0 HZ3 LYS A 5 4.663 13.060 0.372 1.00 0.80 H new ATOM 88 N ILE A 6 2.977 6.227 0.376 1.00 0.10 N ATOM 89 CA ILE A 6 2.159 5.061 0.588 1.00 0.09 C ATOM 90 C ILE A 6 1.051 5.329 1.591 1.00 0.08 C ATOM 91 O ILE A 6 1.143 6.219 2.426 1.00 0.08 O ATOM 92 CB ILE A 6 3.025 3.858 1.030 1.00 0.10 C ATOM 93 CG1 ILE A 6 3.446 3.051 -0.186 1.00 0.14 C ATOM 94 CG2 ILE A 6 2.313 2.970 2.041 1.00 0.10 C ATOM 95 CD1 ILE A 6 4.517 2.049 0.131 1.00 0.20 C ATOM 0 H ILE A 6 3.148 6.782 1.215 1.00 0.10 H new ATOM 0 HA ILE A 6 1.686 4.813 -0.362 1.00 0.09 H new ATOM 0 HB ILE A 6 3.910 4.255 1.528 1.00 0.10 H new ATOM 0 HG12 ILE A 6 2.577 2.533 -0.593 1.00 0.14 H new ATOM 0 HG13 ILE A 6 3.805 3.728 -0.961 1.00 0.14 H new ATOM 0 HG21 ILE A 6 2.964 2.141 2.319 1.00 0.10 H new ATOM 0 HG22 ILE A 6 2.069 3.553 2.929 1.00 0.10 H new ATOM 0 HG23 ILE A 6 1.396 2.580 1.600 1.00 0.10 H new ATOM 0 HD11 ILE A 6 4.781 1.500 -0.773 1.00 0.20 H new ATOM 0 HD12 ILE A 6 5.398 2.566 0.511 1.00 0.20 H new ATOM 0 HD13 ILE A 6 4.152 1.352 0.885 1.00 0.20 H new ATOM 107 N LEU A 7 -0.005 4.565 1.456 1.00 0.09 N ATOM 108 CA LEU A 7 -1.143 4.623 2.337 1.00 0.08 C ATOM 109 C LEU A 7 -1.480 3.199 2.738 1.00 0.09 C ATOM 110 O LEU A 7 -1.708 2.366 1.875 1.00 0.17 O ATOM 111 CB LEU A 7 -2.293 5.225 1.557 1.00 0.10 C ATOM 112 CG LEU A 7 -3.295 6.014 2.358 1.00 0.10 C ATOM 113 CD1 LEU A 7 -4.245 6.711 1.408 1.00 0.12 C ATOM 114 CD2 LEU A 7 -4.059 5.119 3.320 1.00 0.12 C ATOM 0 H LEU A 7 -0.098 3.871 0.714 1.00 0.09 H new ATOM 0 HA LEU A 7 -0.946 5.222 3.226 1.00 0.08 H new ATOM 0 HB2 LEU A 7 -1.881 5.876 0.786 1.00 0.10 H new ATOM 0 HB3 LEU A 7 -2.820 4.419 1.046 1.00 0.10 H new ATOM 0 HG LEU A 7 -2.766 6.756 2.957 1.00 0.10 H new ATOM 0 HD11 LEU A 7 -4.975 7.285 1.979 1.00 0.12 H new ATOM 0 HD12 LEU A 7 -3.683 7.382 0.759 1.00 0.12 H new ATOM 0 HD13 LEU A 7 -4.763 5.968 0.801 1.00 0.12 H new ATOM 0 HD21 LEU A 7 -4.774 5.718 3.884 1.00 0.12 H new ATOM 0 HD22 LEU A 7 -4.591 4.351 2.758 1.00 0.12 H new ATOM 0 HD23 LEU A 7 -3.360 4.645 4.009 1.00 0.12 H new ATOM 126 N ILE A 8 -1.482 2.900 4.014 1.00 0.09 N ATOM 127 CA ILE A 8 -1.782 1.542 4.446 1.00 0.10 C ATOM 128 C ILE A 8 -3.149 1.508 5.106 1.00 0.11 C ATOM 129 O ILE A 8 -3.302 1.987 6.219 1.00 0.13 O ATOM 130 CB ILE A 8 -0.731 0.994 5.433 1.00 0.12 C ATOM 131 CG1 ILE A 8 0.688 1.427 5.049 1.00 0.14 C ATOM 132 CG2 ILE A 8 -0.810 -0.518 5.484 1.00 0.15 C ATOM 133 CD1 ILE A 8 1.148 2.657 5.781 1.00 0.22 C ATOM 0 H ILE A 8 -1.284 3.560 4.766 1.00 0.09 H new ATOM 0 HA ILE A 8 -1.767 0.909 3.559 1.00 0.10 H new ATOM 0 HB ILE A 8 -0.952 1.408 6.417 1.00 0.12 H new ATOM 0 HG12 ILE A 8 1.379 0.609 5.255 1.00 0.14 H new ATOM 0 HG13 ILE A 8 0.726 1.615 3.976 1.00 0.14 H new ATOM 0 HG21 ILE A 8 -0.065 -0.898 6.183 1.00 0.15 H new ATOM 0 HG22 ILE A 8 -1.804 -0.819 5.814 1.00 0.15 H new ATOM 0 HG23 ILE A 8 -0.618 -0.926 4.492 1.00 0.15 H new ATOM 0 HD11 ILE A 8 2.160 2.912 5.465 1.00 0.22 H new ATOM 0 HD12 ILE A 8 0.478 3.487 5.556 1.00 0.22 H new ATOM 0 HD13 ILE A 8 1.141 2.466 6.854 1.00 0.22 H new ATOM 145 N VAL A 9 -4.135 0.956 4.418 1.00 0.17 N ATOM 146 CA VAL A 9 -5.510 0.955 4.903 1.00 0.18 C ATOM 147 C VAL A 9 -5.821 -0.343 5.635 1.00 0.18 C ATOM 148 O VAL A 9 -6.565 -1.175 5.129 1.00 0.28 O ATOM 149 CB VAL A 9 -6.525 1.118 3.750 1.00 0.19 C ATOM 150 CG1 VAL A 9 -7.940 1.291 4.294 1.00 0.23 C ATOM 151 CG2 VAL A 9 -6.139 2.291 2.870 1.00 0.26 C ATOM 0 H VAL A 9 -4.009 0.499 3.515 1.00 0.17 H new ATOM 0 HA VAL A 9 -5.603 1.802 5.582 1.00 0.18 H new ATOM 0 HB VAL A 9 -6.507 0.212 3.144 1.00 0.19 H new ATOM 0 HG11 VAL A 9 -8.638 1.404 3.464 1.00 0.23 H new ATOM 0 HG12 VAL A 9 -8.214 0.415 4.881 1.00 0.23 H new ATOM 0 HG13 VAL A 9 -7.981 2.178 4.926 1.00 0.23 H new ATOM 0 HG21 VAL A 9 -6.863 2.393 2.062 1.00 0.26 H new ATOM 0 HG22 VAL A 9 -6.128 3.204 3.465 1.00 0.26 H new ATOM 0 HG23 VAL A 9 -5.148 2.120 2.449 1.00 0.26 H new ATOM 161 N ASP A 10 -5.263 -0.504 6.821 1.00 0.17 N ATOM 162 CA ASP A 10 -5.426 -1.742 7.580 1.00 0.18 C ATOM 163 C ASP A 10 -6.129 -1.487 8.904 1.00 0.17 C ATOM 164 O ASP A 10 -5.804 -0.538 9.613 1.00 0.32 O ATOM 165 CB ASP A 10 -4.072 -2.397 7.872 1.00 0.30 C ATOM 166 CG ASP A 10 -3.510 -3.171 6.702 1.00 1.02 C ATOM 167 OD1 ASP A 10 -3.136 -2.539 5.693 1.00 1.82 O ATOM 168 OD2 ASP A 10 -3.425 -4.412 6.808 1.00 1.26 O ATOM 0 H ASP A 10 -4.692 0.203 7.284 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.031 -2.409 6.965 1.00 0.18 H new ATOM 0 HB2 ASP A 10 -3.359 -1.625 8.162 1.00 0.30 H new ATOM 0 HB3 ASP A 10 -4.179 -3.069 8.724 1.00 0.30 H new ATOM 173 N ASP A 11 -7.086 -2.332 9.251 1.00 0.29 N ATOM 174 CA ASP A 11 -7.678 -2.281 10.582 1.00 0.31 C ATOM 175 C ASP A 11 -6.833 -3.124 11.506 1.00 0.37 C ATOM 176 O ASP A 11 -6.757 -2.877 12.711 1.00 0.46 O ATOM 177 CB ASP A 11 -9.125 -2.768 10.593 1.00 0.36 C ATOM 178 CG ASP A 11 -9.750 -2.672 11.973 1.00 0.41 C ATOM 179 OD1 ASP A 11 -10.144 -1.558 12.378 1.00 0.44 O ATOM 180 OD2 ASP A 11 -9.860 -3.712 12.654 1.00 0.51 O ATOM 0 H ASP A 11 -7.467 -3.054 8.640 1.00 0.29 H new ATOM 0 HA ASP A 11 -7.699 -1.244 10.916 1.00 0.31 H new ATOM 0 HB2 ASP A 11 -9.711 -2.178 9.888 1.00 0.36 H new ATOM 0 HB3 ASP A 11 -9.162 -3.802 10.250 1.00 0.36 H new ATOM 185 N GLN A 12 -6.174 -4.118 10.923 1.00 0.43 N ATOM 186 CA GLN A 12 -5.136 -4.837 11.629 1.00 0.54 C ATOM 187 C GLN A 12 -3.887 -3.982 11.595 1.00 0.49 C ATOM 188 O GLN A 12 -2.947 -4.233 10.844 1.00 0.68 O ATOM 189 CB GLN A 12 -4.858 -6.226 11.030 1.00 0.79 C ATOM 190 CG GLN A 12 -5.628 -6.538 9.756 1.00 0.71 C ATOM 191 CD GLN A 12 -7.082 -6.882 10.014 1.00 1.24 C ATOM 192 OE1 GLN A 12 -7.434 -7.408 11.071 1.00 1.80 O ATOM 193 NE2 GLN A 12 -7.935 -6.589 9.051 1.00 2.07 N ATOM 0 H GLN A 12 -6.343 -4.438 9.969 1.00 0.43 H new ATOM 0 HA GLN A 12 -5.464 -5.017 12.653 1.00 0.54 H new ATOM 0 HB2 GLN A 12 -3.791 -6.310 10.823 1.00 0.79 H new ATOM 0 HB3 GLN A 12 -5.098 -6.983 11.777 1.00 0.79 H new ATOM 0 HG2 GLN A 12 -5.576 -5.679 9.087 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -5.148 -7.371 9.243 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -7.603 -6.154 8.191 1.00 2.07 H new ATOM 0 HE22 GLN A 12 -8.927 -6.798 9.167 1.00 2.07 H new ATOM 202 N TYR A 13 -3.938 -2.931 12.393 1.00 0.37 N ATOM 203 CA TYR A 13 -2.887 -1.921 12.456 1.00 0.31 C ATOM 204 C TYR A 13 -1.506 -2.508 12.727 1.00 0.32 C ATOM 205 O TYR A 13 -0.500 -1.832 12.501 1.00 0.32 O ATOM 206 CB TYR A 13 -3.227 -0.868 13.514 1.00 0.35 C ATOM 207 CG TYR A 13 -3.415 -1.429 14.907 1.00 0.53 C ATOM 208 CD1 TYR A 13 -4.626 -1.987 15.293 1.00 0.86 C ATOM 209 CD2 TYR A 13 -2.378 -1.404 15.833 1.00 0.70 C ATOM 210 CE1 TYR A 13 -4.802 -2.501 16.562 1.00 1.12 C ATOM 211 CE2 TYR A 13 -2.546 -1.919 17.103 1.00 0.98 C ATOM 212 CZ TYR A 13 -3.761 -2.451 17.467 1.00 1.14 C ATOM 213 OH TYR A 13 -3.926 -2.983 18.726 1.00 1.44 O ATOM 0 H TYR A 13 -4.718 -2.749 13.025 1.00 0.37 H new ATOM 0 HA TYR A 13 -2.843 -1.456 11.471 1.00 0.31 H new ATOM 0 HB2 TYR A 13 -2.432 -0.123 13.538 1.00 0.35 H new ATOM 0 HB3 TYR A 13 -4.139 -0.351 13.216 1.00 0.35 H new ATOM 0 HD1 TYR A 13 -5.444 -2.020 14.589 1.00 0.86 H new ATOM 0 HD2 TYR A 13 -1.427 -0.975 15.555 1.00 0.70 H new ATOM 0 HE1 TYR A 13 -5.748 -2.939 16.845 1.00 1.12 H new ATOM 0 HE2 TYR A 13 -1.727 -1.904 17.807 1.00 0.98 H new ATOM 0 HH TYR A 13 -3.100 -2.868 19.240 1.00 1.44 H new ATOM 223 N GLY A 14 -1.449 -3.741 13.217 1.00 0.35 N ATOM 224 CA GLY A 14 -0.178 -4.426 13.305 1.00 0.38 C ATOM 225 C GLY A 14 0.483 -4.462 11.946 1.00 0.35 C ATOM 226 O GLY A 14 1.509 -3.824 11.731 1.00 0.36 O ATOM 0 H GLY A 14 -2.253 -4.272 13.551 1.00 0.35 H new ATOM 0 HA2 GLY A 14 0.469 -3.919 14.020 1.00 0.38 H new ATOM 0 HA3 GLY A 14 -0.327 -5.441 13.673 1.00 0.38 H new ATOM 230 N ILE A 15 -0.157 -5.146 11.007 1.00 0.37 N ATOM 231 CA ILE A 15 0.294 -5.184 9.621 1.00 0.40 C ATOM 232 C ILE A 15 0.476 -3.779 9.051 1.00 0.30 C ATOM 233 O ILE A 15 1.305 -3.558 8.172 1.00 0.29 O ATOM 234 CB ILE A 15 -0.716 -5.969 8.757 1.00 0.54 C ATOM 235 CG1 ILE A 15 -0.824 -7.405 9.264 1.00 0.80 C ATOM 236 CG2 ILE A 15 -0.340 -5.952 7.283 1.00 0.79 C ATOM 237 CD1 ILE A 15 -2.215 -7.795 9.691 1.00 0.75 C ATOM 0 H ILE A 15 -1.002 -5.689 11.183 1.00 0.37 H new ATOM 0 HA ILE A 15 1.262 -5.685 9.601 1.00 0.40 H new ATOM 0 HB ILE A 15 -1.685 -5.478 8.847 1.00 0.54 H new ATOM 0 HG12 ILE A 15 -0.491 -8.084 8.479 1.00 0.80 H new ATOM 0 HG13 ILE A 15 -0.145 -7.535 10.107 1.00 0.80 H new ATOM 0 HG21 ILE A 15 -1.078 -6.516 6.713 1.00 0.79 H new ATOM 0 HG22 ILE A 15 -0.315 -4.923 6.926 1.00 0.79 H new ATOM 0 HG23 ILE A 15 0.643 -6.405 7.153 1.00 0.79 H new ATOM 0 HD11 ILE A 15 -2.213 -8.828 10.039 1.00 0.75 H new ATOM 0 HD12 ILE A 15 -2.545 -7.141 10.498 1.00 0.75 H new ATOM 0 HD13 ILE A 15 -2.896 -7.698 8.845 1.00 0.75 H new ATOM 249 N ARG A 16 -0.240 -2.823 9.612 1.00 0.25 N ATOM 250 CA ARG A 16 -0.288 -1.492 9.042 1.00 0.19 C ATOM 251 C ARG A 16 0.979 -0.717 9.357 1.00 0.20 C ATOM 252 O ARG A 16 1.594 -0.143 8.466 1.00 0.22 O ATOM 253 CB ARG A 16 -1.488 -0.725 9.560 1.00 0.16 C ATOM 254 CG ARG A 16 -2.037 0.242 8.539 1.00 0.14 C ATOM 255 CD ARG A 16 -2.672 1.441 9.192 1.00 0.12 C ATOM 256 NE ARG A 16 -3.807 1.090 10.034 1.00 0.16 N ATOM 257 CZ ARG A 16 -4.069 1.649 11.214 1.00 0.25 C ATOM 258 NH1 ARG A 16 -3.280 2.598 11.702 1.00 0.38 N ATOM 259 NH2 ARG A 16 -5.128 1.251 11.906 1.00 0.31 N ATOM 0 H ARG A 16 -0.795 -2.944 10.460 1.00 0.25 H new ATOM 0 HA ARG A 16 -0.375 -1.604 7.961 1.00 0.19 H new ATOM 0 HB2 ARG A 16 -2.269 -1.429 9.847 1.00 0.16 H new ATOM 0 HB3 ARG A 16 -1.206 -0.178 10.460 1.00 0.16 H new ATOM 0 HG2 ARG A 16 -1.233 0.570 7.880 1.00 0.14 H new ATOM 0 HG3 ARG A 16 -2.773 -0.266 7.916 1.00 0.14 H new ATOM 0 HD2 ARG A 16 -1.925 1.959 9.794 1.00 0.12 H new ATOM 0 HD3 ARG A 16 -2.999 2.138 8.421 1.00 0.12 H new ATOM 0 HE ARG A 16 -4.444 0.368 9.698 1.00 0.16 H new ATOM 0 HH11 ARG A 16 -2.464 2.905 11.172 1.00 0.38 H new ATOM 0 HH12 ARG A 16 -3.489 3.020 12.607 1.00 0.38 H new ATOM 0 HH21 ARG A 16 -5.736 0.521 11.534 1.00 0.31 H new ATOM 0 HH22 ARG A 16 -5.335 1.675 12.811 1.00 0.31 H new ATOM 273 N ILE A 17 1.363 -0.698 10.629 1.00 0.22 N ATOM 274 CA ILE A 17 2.589 -0.024 11.044 1.00 0.25 C ATOM 275 C ILE A 17 3.782 -0.862 10.632 1.00 0.29 C ATOM 276 O ILE A 17 4.885 -0.349 10.448 1.00 0.31 O ATOM 277 CB ILE A 17 2.626 0.220 12.570 1.00 0.31 C ATOM 278 CG1 ILE A 17 2.584 -1.109 13.331 1.00 0.35 C ATOM 279 CG2 ILE A 17 1.465 1.110 12.986 1.00 0.30 C ATOM 280 CD1 ILE A 17 2.734 -0.964 14.833 1.00 0.56 C ATOM 0 H ILE A 17 0.845 -1.140 11.389 1.00 0.22 H new ATOM 0 HA ILE A 17 2.622 0.949 10.555 1.00 0.25 H new ATOM 0 HB ILE A 17 3.560 0.724 12.819 1.00 0.31 H new ATOM 0 HG12 ILE A 17 1.639 -1.609 13.117 1.00 0.35 H new ATOM 0 HG13 ILE A 17 3.378 -1.755 12.957 1.00 0.35 H new ATOM 0 HG21 ILE A 17 1.501 1.275 14.063 1.00 0.30 H new ATOM 0 HG22 ILE A 17 1.537 2.067 12.469 1.00 0.30 H new ATOM 0 HG23 ILE A 17 0.524 0.626 12.724 1.00 0.30 H new ATOM 0 HD11 ILE A 17 2.694 -1.948 15.299 1.00 0.56 H new ATOM 0 HD12 ILE A 17 3.691 -0.494 15.059 1.00 0.56 H new ATOM 0 HD13 ILE A 17 1.925 -0.345 15.221 1.00 0.56 H new ATOM 292 N LEU A 18 3.533 -2.155 10.488 1.00 0.32 N ATOM 293 CA LEU A 18 4.493 -3.067 9.902 1.00 0.37 C ATOM 294 C LEU A 18 4.862 -2.587 8.501 1.00 0.33 C ATOM 295 O LEU A 18 5.985 -2.143 8.273 1.00 0.32 O ATOM 296 CB LEU A 18 3.900 -4.478 9.877 1.00 0.44 C ATOM 297 CG LEU A 18 4.440 -5.424 8.806 1.00 0.49 C ATOM 298 CD1 LEU A 18 5.927 -5.681 9.003 1.00 0.53 C ATOM 299 CD2 LEU A 18 3.666 -6.732 8.824 1.00 0.58 C ATOM 0 H LEU A 18 2.660 -2.597 10.775 1.00 0.32 H new ATOM 0 HA LEU A 18 5.405 -3.092 10.499 1.00 0.37 H new ATOM 0 HB2 LEU A 18 4.067 -4.936 10.852 1.00 0.44 H new ATOM 0 HB3 LEU A 18 2.821 -4.393 9.745 1.00 0.44 H new ATOM 0 HG LEU A 18 4.308 -4.950 7.833 1.00 0.49 H new ATOM 0 HD11 LEU A 18 6.285 -6.357 8.227 1.00 0.53 H new ATOM 0 HD12 LEU A 18 6.470 -4.738 8.942 1.00 0.53 H new ATOM 0 HD13 LEU A 18 6.092 -6.132 9.982 1.00 0.53 H new ATOM 0 HD21 LEU A 18 4.060 -7.398 8.056 1.00 0.58 H new ATOM 0 HD22 LEU A 18 3.770 -7.203 9.802 1.00 0.58 H new ATOM 0 HD23 LEU A 18 2.612 -6.534 8.627 1.00 0.58 H new ATOM 311 N LEU A 19 3.902 -2.647 7.584 1.00 0.30 N ATOM 312 CA LEU A 19 4.098 -2.148 6.224 1.00 0.27 C ATOM 313 C LEU A 19 4.561 -0.697 6.251 1.00 0.22 C ATOM 314 O LEU A 19 5.446 -0.305 5.491 1.00 0.22 O ATOM 315 CB LEU A 19 2.794 -2.236 5.425 1.00 0.31 C ATOM 316 CG LEU A 19 2.172 -3.626 5.299 1.00 0.57 C ATOM 317 CD1 LEU A 19 0.780 -3.515 4.696 1.00 1.23 C ATOM 318 CD2 LEU A 19 3.051 -4.538 4.453 1.00 1.15 C ATOM 0 H LEU A 19 2.976 -3.038 7.757 1.00 0.30 H new ATOM 0 HA LEU A 19 4.859 -2.766 5.748 1.00 0.27 H new ATOM 0 HB2 LEU A 19 2.063 -1.574 5.889 1.00 0.31 H new ATOM 0 HB3 LEU A 19 2.980 -1.852 4.422 1.00 0.31 H new ATOM 0 HG LEU A 19 2.093 -4.065 6.293 1.00 0.57 H new ATOM 0 HD11 LEU A 19 0.341 -4.509 4.608 1.00 1.23 H new ATOM 0 HD12 LEU A 19 0.153 -2.897 5.339 1.00 1.23 H new ATOM 0 HD13 LEU A 19 0.847 -3.059 3.708 1.00 1.23 H new ATOM 0 HD21 LEU A 19 2.588 -5.522 4.377 1.00 1.15 H new ATOM 0 HD22 LEU A 19 3.164 -4.112 3.456 1.00 1.15 H new ATOM 0 HD23 LEU A 19 4.031 -4.633 4.920 1.00 1.15 H new ATOM 330 N ASN A 20 3.960 0.082 7.149 1.00 0.20 N ATOM 331 CA ASN A 20 4.292 1.493 7.315 1.00 0.19 C ATOM 332 C ASN A 20 5.795 1.663 7.463 1.00 0.21 C ATOM 333 O ASN A 20 6.453 2.158 6.559 1.00 0.22 O ATOM 334 CB ASN A 20 3.583 2.057 8.552 1.00 0.23 C ATOM 335 CG ASN A 20 3.775 3.550 8.735 1.00 0.32 C ATOM 336 OD1 ASN A 20 2.987 4.350 8.234 1.00 0.94 O ATOM 337 ND2 ASN A 20 4.808 3.933 9.468 1.00 0.50 N ATOM 0 H ASN A 20 3.230 -0.248 7.781 1.00 0.20 H new ATOM 0 HA ASN A 20 3.958 2.038 6.432 1.00 0.19 H new ATOM 0 HB2 ASN A 20 2.517 1.843 8.478 1.00 0.23 H new ATOM 0 HB3 ASN A 20 3.951 1.541 9.438 1.00 0.23 H new ATOM 0 HD21 ASN A 20 4.974 4.925 9.636 1.00 0.50 H new ATOM 0 HD22 ASN A 20 5.438 3.236 9.865 1.00 0.50 H new ATOM 344 N GLU A 21 6.330 1.205 8.587 1.00 0.24 N ATOM 345 CA GLU A 21 7.758 1.322 8.874 1.00 0.29 C ATOM 346 C GLU A 21 8.606 0.660 7.787 1.00 0.29 C ATOM 347 O GLU A 21 9.642 1.202 7.391 1.00 0.31 O ATOM 348 CB GLU A 21 8.050 0.706 10.251 1.00 0.35 C ATOM 349 CG GLU A 21 9.513 0.750 10.672 1.00 0.92 C ATOM 350 CD GLU A 21 10.209 -0.596 10.554 1.00 1.79 C ATOM 351 OE1 GLU A 21 9.970 -1.476 11.408 1.00 2.40 O ATOM 352 OE2 GLU A 21 10.982 -0.788 9.593 1.00 2.46 O ATOM 0 H GLU A 21 5.793 0.745 9.322 1.00 0.24 H new ATOM 0 HA GLU A 21 8.027 2.378 8.887 1.00 0.29 H new ATOM 0 HB2 GLU A 21 7.455 1.228 11.001 1.00 0.35 H new ATOM 0 HB3 GLU A 21 7.719 -0.332 10.247 1.00 0.35 H new ATOM 0 HG2 GLU A 21 10.040 1.480 10.057 1.00 0.92 H new ATOM 0 HG3 GLU A 21 9.578 1.096 11.703 1.00 0.92 H new ATOM 359 N VAL A 22 8.153 -0.487 7.288 1.00 0.28 N ATOM 360 CA VAL A 22 8.902 -1.233 6.281 1.00 0.30 C ATOM 361 C VAL A 22 9.184 -0.390 5.035 1.00 0.28 C ATOM 362 O VAL A 22 10.347 -0.226 4.651 1.00 0.34 O ATOM 363 CB VAL A 22 8.191 -2.545 5.877 1.00 0.32 C ATOM 364 CG1 VAL A 22 8.841 -3.147 4.642 1.00 0.36 C ATOM 365 CG2 VAL A 22 8.244 -3.544 7.020 1.00 0.37 C ATOM 0 H VAL A 22 7.272 -0.920 7.564 1.00 0.28 H new ATOM 0 HA VAL A 22 9.854 -1.490 6.746 1.00 0.30 H new ATOM 0 HB VAL A 22 7.150 -2.314 5.650 1.00 0.32 H new ATOM 0 HG11 VAL A 22 8.327 -4.070 4.373 1.00 0.36 H new ATOM 0 HG12 VAL A 22 8.775 -2.440 3.815 1.00 0.36 H new ATOM 0 HG13 VAL A 22 9.889 -3.363 4.851 1.00 0.36 H new ATOM 0 HG21 VAL A 22 7.740 -4.464 6.723 1.00 0.37 H new ATOM 0 HG22 VAL A 22 9.284 -3.763 7.264 1.00 0.37 H new ATOM 0 HG23 VAL A 22 7.747 -3.124 7.894 1.00 0.37 H new ATOM 375 N PHE A 23 8.136 0.156 4.418 1.00 0.23 N ATOM 376 CA PHE A 23 8.307 0.952 3.205 1.00 0.22 C ATOM 377 C PHE A 23 8.822 2.320 3.562 1.00 0.21 C ATOM 378 O PHE A 23 9.647 2.889 2.848 1.00 0.23 O ATOM 379 CB PHE A 23 6.998 1.129 2.444 1.00 0.21 C ATOM 380 CG PHE A 23 6.174 -0.116 2.315 1.00 0.26 C ATOM 381 CD1 PHE A 23 6.766 -1.305 1.932 1.00 0.35 C ATOM 382 CD2 PHE A 23 4.818 -0.100 2.575 1.00 0.27 C ATOM 383 CE1 PHE A 23 6.021 -2.457 1.812 1.00 0.43 C ATOM 384 CE2 PHE A 23 4.066 -1.251 2.453 1.00 0.35 C ATOM 385 CZ PHE A 23 4.632 -2.405 2.080 1.00 0.41 C ATOM 0 H PHE A 23 7.171 0.063 4.734 1.00 0.23 H new ATOM 0 HA PHE A 23 9.014 0.416 2.571 1.00 0.22 H new ATOM 0 HB2 PHE A 23 6.403 1.892 2.946 1.00 0.21 H new ATOM 0 HB3 PHE A 23 7.222 1.505 1.446 1.00 0.21 H new ATOM 0 HD1 PHE A 23 7.826 -1.331 1.724 1.00 0.35 H new ATOM 0 HD2 PHE A 23 4.342 0.821 2.876 1.00 0.27 H new ATOM 0 HE1 PHE A 23 6.489 -3.385 1.518 1.00 0.43 H new ATOM 0 HE2 PHE A 23 3.007 -1.220 2.661 1.00 0.35 H new ATOM 0 HZ PHE A 23 4.029 -3.296 1.984 1.00 0.41 H new ATOM 395 N ASN A 24 8.324 2.840 4.679 1.00 0.19 N ATOM 396 CA ASN A 24 8.649 4.187 5.114 1.00 0.19 C ATOM 397 C ASN A 24 10.157 4.371 5.085 1.00 0.24 C ATOM 398 O ASN A 24 10.692 5.297 4.468 1.00 0.24 O ATOM 399 CB ASN A 24 8.108 4.434 6.538 1.00 0.21 C ATOM 400 CG ASN A 24 8.159 5.896 6.930 1.00 0.23 C ATOM 401 OD1 ASN A 24 9.173 6.387 7.433 1.00 0.28 O ATOM 402 ND2 ASN A 24 7.050 6.593 6.730 1.00 0.26 N ATOM 0 H ASN A 24 7.689 2.341 5.302 1.00 0.19 H new ATOM 0 HA ASN A 24 8.183 4.907 4.441 1.00 0.19 H new ATOM 0 HB2 ASN A 24 7.079 4.080 6.599 1.00 0.21 H new ATOM 0 HB3 ASN A 24 8.689 3.849 7.251 1.00 0.21 H new ATOM 0 HD21 ASN A 24 7.011 7.577 6.995 1.00 0.26 H new ATOM 0 HD22 ASN A 24 6.235 6.145 6.311 1.00 0.26 H new ATOM 409 N LYS A 25 10.814 3.408 5.707 1.00 0.32 N ATOM 410 CA LYS A 25 12.267 3.358 5.833 1.00 0.41 C ATOM 411 C LYS A 25 12.987 3.336 4.479 1.00 0.41 C ATOM 412 O LYS A 25 14.080 3.895 4.355 1.00 0.47 O ATOM 413 CB LYS A 25 12.643 2.130 6.675 1.00 0.51 C ATOM 414 CG LYS A 25 14.032 1.573 6.428 1.00 0.59 C ATOM 415 CD LYS A 25 13.930 0.348 5.544 1.00 1.02 C ATOM 416 CE LYS A 25 13.235 -0.795 6.266 1.00 2.32 C ATOM 417 NZ LYS A 25 12.797 -1.864 5.333 1.00 3.25 N ATOM 0 H LYS A 25 10.344 2.619 6.150 1.00 0.32 H new ATOM 0 HA LYS A 25 12.597 4.272 6.326 1.00 0.41 H new ATOM 0 HB2 LYS A 25 12.558 2.393 7.729 1.00 0.51 H new ATOM 0 HB3 LYS A 25 11.915 1.342 6.483 1.00 0.51 H new ATOM 0 HG2 LYS A 25 14.660 2.327 5.953 1.00 0.59 H new ATOM 0 HG3 LYS A 25 14.506 1.314 7.375 1.00 0.59 H new ATOM 0 HD2 LYS A 25 13.380 0.596 4.636 1.00 1.02 H new ATOM 0 HD3 LYS A 25 14.928 0.034 5.236 1.00 1.02 H new ATOM 0 HE2 LYS A 25 13.911 -1.218 7.009 1.00 2.32 H new ATOM 0 HE3 LYS A 25 12.370 -0.409 6.806 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 12.645 -2.746 5.862 1.00 3.25 H new ATOM 0 HZ2 LYS A 25 11.909 -1.580 4.872 1.00 3.25 H new ATOM 0 HZ3 LYS A 25 13.529 -2.015 4.610 1.00 3.25 H new ATOM 431 N GLU A 26 12.391 2.704 3.467 1.00 0.42 N ATOM 432 CA GLU A 26 13.025 2.630 2.149 1.00 0.53 C ATOM 433 C GLU A 26 13.058 4.012 1.531 1.00 0.45 C ATOM 434 O GLU A 26 13.889 4.310 0.675 1.00 0.66 O ATOM 435 CB GLU A 26 12.279 1.701 1.194 1.00 0.91 C ATOM 436 CG GLU A 26 11.674 0.490 1.857 1.00 0.40 C ATOM 437 CD GLU A 26 11.391 -0.623 0.882 1.00 0.79 C ATOM 438 OE1 GLU A 26 12.362 -1.284 0.447 1.00 1.45 O ATOM 439 OE2 GLU A 26 10.214 -0.847 0.561 1.00 1.43 O ATOM 0 H GLU A 26 11.484 2.242 3.531 1.00 0.42 H new ATOM 0 HA GLU A 26 14.029 2.234 2.298 1.00 0.53 H new ATOM 0 HB2 GLU A 26 11.487 2.265 0.701 1.00 0.91 H new ATOM 0 HB3 GLU A 26 12.967 1.370 0.416 1.00 0.91 H new ATOM 0 HG2 GLU A 26 12.351 0.127 2.630 1.00 0.40 H new ATOM 0 HG3 GLU A 26 10.747 0.777 2.354 1.00 0.40 H new ATOM 446 N GLY A 27 12.148 4.845 1.997 1.00 0.38 N ATOM 447 CA GLY A 27 11.964 6.156 1.437 1.00 0.44 C ATOM 448 C GLY A 27 10.506 6.515 1.402 1.00 0.37 C ATOM 449 O GLY A 27 10.147 7.683 1.238 1.00 0.44 O ATOM 0 H GLY A 27 11.521 4.627 2.771 1.00 0.38 H new ATOM 0 HA2 GLY A 27 12.511 6.890 2.028 1.00 0.44 H new ATOM 0 HA3 GLY A 27 12.376 6.188 0.429 1.00 0.44 H new ATOM 453 N TYR A 28 9.655 5.514 1.611 1.00 0.26 N ATOM 454 CA TYR A 28 8.235 5.693 1.380 1.00 0.24 C ATOM 455 C TYR A 28 7.607 6.552 2.441 1.00 0.24 C ATOM 456 O TYR A 28 7.852 6.386 3.630 1.00 0.41 O ATOM 457 CB TYR A 28 7.503 4.360 1.318 1.00 0.25 C ATOM 458 CG TYR A 28 7.376 3.803 -0.073 1.00 0.40 C ATOM 459 CD1 TYR A 28 6.445 4.328 -0.961 1.00 0.58 C ATOM 460 CD2 TYR A 28 8.188 2.766 -0.508 1.00 0.57 C ATOM 461 CE1 TYR A 28 6.329 3.835 -2.244 1.00 0.78 C ATOM 462 CE2 TYR A 28 8.078 2.270 -1.791 1.00 0.77 C ATOM 463 CZ TYR A 28 7.145 2.807 -2.652 1.00 0.87 C ATOM 464 OH TYR A 28 7.038 2.324 -3.932 1.00 1.07 O ATOM 0 H TYR A 28 9.924 4.585 1.935 1.00 0.26 H new ATOM 0 HA TYR A 28 8.141 6.193 0.416 1.00 0.24 H new ATOM 0 HB2 TYR A 28 8.029 3.638 1.942 1.00 0.25 H new ATOM 0 HB3 TYR A 28 6.507 4.483 1.743 1.00 0.25 H new ATOM 0 HD1 TYR A 28 5.802 5.135 -0.642 1.00 0.58 H new ATOM 0 HD2 TYR A 28 8.916 2.341 0.167 1.00 0.57 H new ATOM 0 HE1 TYR A 28 5.602 4.254 -2.924 1.00 0.78 H new ATOM 0 HE2 TYR A 28 8.719 1.465 -2.119 1.00 0.77 H new ATOM 0 HH TYR A 28 7.878 2.481 -4.412 1.00 1.07 H new ATOM 474 N GLN A 29 6.803 7.486 2.011 1.00 0.17 N ATOM 475 CA GLN A 29 6.007 8.242 2.931 1.00 0.16 C ATOM 476 C GLN A 29 4.708 7.512 3.139 1.00 0.12 C ATOM 477 O GLN A 29 3.704 7.810 2.502 1.00 0.13 O ATOM 478 CB GLN A 29 5.754 9.633 2.390 1.00 0.24 C ATOM 479 CG GLN A 29 7.027 10.360 2.013 1.00 0.30 C ATOM 480 CD GLN A 29 6.807 11.348 0.897 1.00 0.53 C ATOM 481 OE1 GLN A 29 6.456 12.505 1.128 1.00 1.14 O ATOM 482 NE2 GLN A 29 7.011 10.896 -0.328 1.00 0.53 N ATOM 0 H GLN A 29 6.684 7.739 1.030 1.00 0.17 H new ATOM 0 HA GLN A 29 6.531 8.346 3.881 1.00 0.16 H new ATOM 0 HB2 GLN A 29 5.108 9.565 1.515 1.00 0.24 H new ATOM 0 HB3 GLN A 29 5.217 10.216 3.138 1.00 0.24 H new ATOM 0 HG2 GLN A 29 7.418 10.882 2.886 1.00 0.30 H new ATOM 0 HG3 GLN A 29 7.782 9.634 1.711 1.00 0.30 H new ATOM 0 HE21 GLN A 29 7.302 9.929 -0.473 1.00 0.53 H new ATOM 0 HE22 GLN A 29 6.878 11.514 -1.128 1.00 0.53 H new ATOM 491 N THR A 30 4.743 6.517 3.990 1.00 0.11 N ATOM 492 CA THR A 30 3.594 5.678 4.181 1.00 0.10 C ATOM 493 C THR A 30 2.720 6.238 5.287 1.00 0.10 C ATOM 494 O THR A 30 3.224 6.690 6.316 1.00 0.14 O ATOM 495 CB THR A 30 4.025 4.253 4.539 1.00 0.11 C ATOM 496 OG1 THR A 30 4.483 4.208 5.890 1.00 0.14 O ATOM 497 CG2 THR A 30 5.151 3.777 3.643 1.00 0.12 C ATOM 0 H THR A 30 5.554 6.271 4.558 1.00 0.11 H new ATOM 0 HA THR A 30 3.027 5.652 3.250 1.00 0.10 H new ATOM 0 HB THR A 30 3.159 3.605 4.404 1.00 0.11 H new ATOM 0 HG1 THR A 30 3.724 4.331 6.497 1.00 0.14 H new ATOM 0 HG21 THR A 30 5.434 2.762 3.923 1.00 0.12 H new ATOM 0 HG22 THR A 30 4.819 3.788 2.605 1.00 0.12 H new ATOM 0 HG23 THR A 30 6.010 4.438 3.756 1.00 0.12 H new ATOM 505 N PHE A 31 1.416 6.233 5.075 1.00 0.09 N ATOM 506 CA PHE A 31 0.507 6.737 6.064 1.00 0.09 C ATOM 507 C PHE A 31 -0.582 5.743 6.322 1.00 0.10 C ATOM 508 O PHE A 31 -1.261 5.253 5.421 1.00 0.19 O ATOM 509 CB PHE A 31 -0.057 8.096 5.685 1.00 0.11 C ATOM 510 CG PHE A 31 0.895 9.213 6.010 1.00 0.17 C ATOM 511 CD1 PHE A 31 1.927 9.537 5.144 1.00 0.20 C ATOM 512 CD2 PHE A 31 0.776 9.919 7.196 1.00 0.27 C ATOM 513 CE1 PHE A 31 2.820 10.545 5.453 1.00 0.26 C ATOM 514 CE2 PHE A 31 1.664 10.932 7.508 1.00 0.34 C ATOM 515 CZ PHE A 31 2.688 11.244 6.635 1.00 0.30 C ATOM 0 H PHE A 31 0.973 5.884 4.225 1.00 0.09 H new ATOM 0 HA PHE A 31 1.067 6.883 6.987 1.00 0.09 H new ATOM 0 HB2 PHE A 31 -0.282 8.110 4.619 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -0.998 8.257 6.211 1.00 0.11 H new ATOM 0 HD1 PHE A 31 2.035 8.995 4.216 1.00 0.20 H new ATOM 0 HD2 PHE A 31 -0.019 9.675 7.885 1.00 0.27 H new ATOM 0 HE1 PHE A 31 3.621 10.786 4.770 1.00 0.26 H new ATOM 0 HE2 PHE A 31 1.557 11.479 8.433 1.00 0.34 H new ATOM 0 HZ PHE A 31 3.384 12.034 6.877 1.00 0.30 H new ATOM 525 N GLN A 32 -0.697 5.445 7.574 1.00 0.12 N ATOM 526 CA GLN A 32 -1.534 4.390 8.061 1.00 0.10 C ATOM 527 C GLN A 32 -2.983 4.855 8.264 1.00 0.09 C ATOM 528 O GLN A 32 -3.256 5.780 9.026 1.00 0.12 O ATOM 529 CB GLN A 32 -0.911 3.890 9.363 1.00 0.12 C ATOM 530 CG GLN A 32 -0.284 4.989 10.202 1.00 0.14 C ATOM 531 CD GLN A 32 0.508 4.441 11.369 1.00 0.18 C ATOM 532 OE1 GLN A 32 -0.026 4.234 12.458 1.00 0.22 O ATOM 533 NE2 GLN A 32 1.794 4.204 11.144 1.00 0.19 N ATOM 0 H GLN A 32 -0.197 5.942 8.311 1.00 0.12 H new ATOM 0 HA GLN A 32 -1.589 3.583 7.331 1.00 0.10 H new ATOM 0 HB2 GLN A 32 -1.678 3.388 9.953 1.00 0.12 H new ATOM 0 HB3 GLN A 32 -0.150 3.145 9.129 1.00 0.12 H new ATOM 0 HG2 GLN A 32 0.370 5.594 9.574 1.00 0.14 H new ATOM 0 HG3 GLN A 32 -1.067 5.649 10.575 1.00 0.14 H new ATOM 0 HE21 GLN A 32 2.194 4.391 10.224 1.00 0.19 H new ATOM 0 HE22 GLN A 32 2.383 3.835 11.891 1.00 0.19 H new ATOM 542 N ALA A 33 -3.893 4.189 7.568 1.00 0.09 N ATOM 543 CA ALA A 33 -5.330 4.422 7.688 1.00 0.08 C ATOM 544 C ALA A 33 -6.004 3.129 8.102 1.00 0.11 C ATOM 545 O ALA A 33 -5.655 2.063 7.617 1.00 0.23 O ATOM 546 CB ALA A 33 -5.909 4.933 6.369 1.00 0.10 C ATOM 0 H ALA A 33 -3.654 3.461 6.894 1.00 0.09 H new ATOM 0 HA ALA A 33 -5.510 5.186 8.445 1.00 0.08 H new ATOM 0 HB1 ALA A 33 -6.980 5.099 6.482 1.00 0.10 H new ATOM 0 HB2 ALA A 33 -5.423 5.870 6.097 1.00 0.10 H new ATOM 0 HB3 ALA A 33 -5.737 4.195 5.586 1.00 0.10 H new ATOM 552 N ALA A 34 -6.937 3.213 9.028 1.00 0.09 N ATOM 553 CA ALA A 34 -7.658 2.033 9.464 1.00 0.10 C ATOM 554 C ALA A 34 -8.933 1.871 8.670 1.00 0.12 C ATOM 555 O ALA A 34 -9.602 0.846 8.756 1.00 0.18 O ATOM 556 CB ALA A 34 -7.974 2.116 10.939 1.00 0.14 C ATOM 0 H ALA A 34 -7.213 4.079 9.491 1.00 0.09 H new ATOM 0 HA ALA A 34 -7.023 1.164 9.293 1.00 0.10 H new ATOM 0 HB1 ALA A 34 -8.515 1.221 11.246 1.00 0.14 H new ATOM 0 HB2 ALA A 34 -7.046 2.192 11.506 1.00 0.14 H new ATOM 0 HB3 ALA A 34 -8.589 2.995 11.130 1.00 0.14 H new ATOM 562 N ASN A 35 -9.276 2.898 7.913 1.00 0.10 N ATOM 563 CA ASN A 35 -10.494 2.876 7.136 1.00 0.13 C ATOM 564 C ASN A 35 -10.353 3.684 5.862 1.00 0.10 C ATOM 565 O ASN A 35 -9.421 4.462 5.717 1.00 0.08 O ATOM 566 CB ASN A 35 -11.681 3.360 7.977 1.00 0.17 C ATOM 567 CG ASN A 35 -11.355 4.613 8.774 1.00 0.20 C ATOM 568 OD1 ASN A 35 -10.713 4.543 9.819 1.00 0.29 O ATOM 569 ND2 ASN A 35 -11.827 5.760 8.323 1.00 0.19 N ATOM 0 H ASN A 35 -8.728 3.753 7.822 1.00 0.10 H new ATOM 0 HA ASN A 35 -10.687 1.844 6.843 1.00 0.13 H new ATOM 0 HB2 ASN A 35 -12.529 3.560 7.322 1.00 0.17 H new ATOM 0 HB3 ASN A 35 -11.986 2.567 8.660 1.00 0.17 H new ATOM 0 HD21 ASN A 35 -11.662 6.620 8.846 1.00 0.19 H new ATOM 0 HD22 ASN A 35 -12.357 5.786 7.452 1.00 0.19 H new ATOM 576 N GLY A 36 -11.295 3.491 4.951 1.00 0.12 N ATOM 577 CA GLY A 36 -11.232 4.113 3.639 1.00 0.14 C ATOM 578 C GLY A 36 -11.494 5.594 3.665 1.00 0.11 C ATOM 579 O GLY A 36 -11.187 6.303 2.714 1.00 0.13 O ATOM 0 H GLY A 36 -12.116 2.905 5.099 1.00 0.12 H new ATOM 0 HA2 GLY A 36 -10.247 3.934 3.207 1.00 0.14 H new ATOM 0 HA3 GLY A 36 -11.960 3.635 2.983 1.00 0.14 H new ATOM 583 N LEU A 37 -12.056 6.061 4.753 1.00 0.11 N ATOM 584 CA LEU A 37 -12.300 7.477 4.934 1.00 0.13 C ATOM 585 C LEU A 37 -11.037 8.106 5.388 1.00 0.10 C ATOM 586 O LEU A 37 -10.628 9.170 4.937 1.00 0.11 O ATOM 587 CB LEU A 37 -13.300 7.702 6.032 1.00 0.17 C ATOM 588 CG LEU A 37 -14.737 7.236 5.770 1.00 0.23 C ATOM 589 CD1 LEU A 37 -15.183 7.649 4.377 1.00 0.27 C ATOM 590 CD2 LEU A 37 -14.868 5.730 5.958 1.00 0.28 C ATOM 0 H LEU A 37 -12.356 5.478 5.534 1.00 0.11 H new ATOM 0 HA LEU A 37 -12.665 7.892 3.995 1.00 0.13 H new ATOM 0 HB2 LEU A 37 -12.938 7.198 6.928 1.00 0.17 H new ATOM 0 HB3 LEU A 37 -13.325 8.769 6.254 1.00 0.17 H new ATOM 0 HG LEU A 37 -15.389 7.719 6.498 1.00 0.23 H new ATOM 0 HD11 LEU A 37 -16.205 7.311 4.207 1.00 0.27 H new ATOM 0 HD12 LEU A 37 -15.141 8.735 4.288 1.00 0.27 H new ATOM 0 HD13 LEU A 37 -14.524 7.198 3.635 1.00 0.27 H new ATOM 0 HD21 LEU A 37 -15.897 5.428 5.766 1.00 0.28 H new ATOM 0 HD22 LEU A 37 -14.203 5.217 5.263 1.00 0.28 H new ATOM 0 HD23 LEU A 37 -14.597 5.466 6.980 1.00 0.28 H new ATOM 602 N GLN A 38 -10.437 7.397 6.307 1.00 0.10 N ATOM 603 CA GLN A 38 -9.184 7.768 6.854 1.00 0.11 C ATOM 604 C GLN A 38 -8.234 7.790 5.698 1.00 0.10 C ATOM 605 O GLN A 38 -7.469 8.719 5.524 1.00 0.15 O ATOM 606 CB GLN A 38 -8.782 6.719 7.888 1.00 0.19 C ATOM 607 CG GLN A 38 -7.608 7.103 8.749 1.00 0.36 C ATOM 608 CD GLN A 38 -7.992 8.025 9.879 1.00 0.67 C ATOM 609 OE1 GLN A 38 -8.002 9.246 9.731 1.00 0.99 O ATOM 610 NE2 GLN A 38 -8.293 7.445 11.026 1.00 1.29 N ATOM 0 H GLN A 38 -10.821 6.535 6.694 1.00 0.10 H new ATOM 0 HA GLN A 38 -9.198 8.737 7.353 1.00 0.11 H new ATOM 0 HB2 GLN A 38 -9.638 6.517 8.533 1.00 0.19 H new ATOM 0 HB3 GLN A 38 -8.547 5.789 7.370 1.00 0.19 H new ATOM 0 HG2 GLN A 38 -7.154 6.201 9.160 1.00 0.36 H new ATOM 0 HG3 GLN A 38 -6.852 7.588 8.131 1.00 0.36 H new ATOM 0 HE21 GLN A 38 -8.272 6.428 11.104 1.00 1.29 H new ATOM 0 HE22 GLN A 38 -8.547 8.014 11.834 1.00 1.29 H new ATOM 619 N ALA A 39 -8.402 6.784 4.851 1.00 0.10 N ATOM 620 CA ALA A 39 -7.608 6.633 3.656 1.00 0.12 C ATOM 621 C ALA A 39 -7.859 7.775 2.685 1.00 0.11 C ATOM 622 O ALA A 39 -6.923 8.322 2.108 1.00 0.13 O ATOM 623 CB ALA A 39 -7.890 5.300 2.985 1.00 0.14 C ATOM 0 H ALA A 39 -9.098 6.050 4.981 1.00 0.10 H new ATOM 0 HA ALA A 39 -6.559 6.658 3.950 1.00 0.12 H new ATOM 0 HB1 ALA A 39 -7.280 5.209 2.086 1.00 0.14 H new ATOM 0 HB2 ALA A 39 -7.648 4.489 3.672 1.00 0.14 H new ATOM 0 HB3 ALA A 39 -8.945 5.245 2.715 1.00 0.14 H new ATOM 629 N LEU A 40 -9.129 8.125 2.504 1.00 0.11 N ATOM 630 CA LEU A 40 -9.501 9.262 1.684 1.00 0.12 C ATOM 631 C LEU A 40 -8.788 10.505 2.191 1.00 0.13 C ATOM 632 O LEU A 40 -8.261 11.302 1.413 1.00 0.17 O ATOM 633 CB LEU A 40 -11.017 9.466 1.735 1.00 0.13 C ATOM 634 CG LEU A 40 -11.657 9.926 0.424 1.00 0.37 C ATOM 635 CD1 LEU A 40 -11.286 11.368 0.108 1.00 0.97 C ATOM 636 CD2 LEU A 40 -11.233 9.019 -0.719 1.00 0.19 C ATOM 0 H LEU A 40 -9.919 7.631 2.919 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.207 9.077 0.651 1.00 0.12 H new ATOM 0 HB2 LEU A 40 -11.484 8.529 2.039 1.00 0.13 H new ATOM 0 HB3 LEU A 40 -11.243 10.200 2.508 1.00 0.13 H new ATOM 0 HG LEU A 40 -12.739 9.869 0.542 1.00 0.37 H new ATOM 0 HD11 LEU A 40 -11.755 11.667 -0.829 1.00 0.97 H new ATOM 0 HD12 LEU A 40 -11.633 12.018 0.911 1.00 0.97 H new ATOM 0 HD13 LEU A 40 -10.203 11.453 0.015 1.00 0.97 H new ATOM 0 HD21 LEU A 40 -11.697 9.359 -1.645 1.00 0.19 H new ATOM 0 HD22 LEU A 40 -10.148 9.049 -0.824 1.00 0.19 H new ATOM 0 HD23 LEU A 40 -11.549 7.997 -0.509 1.00 0.19 H new ATOM 648 N ASP A 41 -8.762 10.640 3.508 1.00 0.12 N ATOM 649 CA ASP A 41 -8.067 11.732 4.159 1.00 0.13 C ATOM 650 C ASP A 41 -6.570 11.646 3.912 1.00 0.09 C ATOM 651 O ASP A 41 -5.925 12.660 3.656 1.00 0.11 O ATOM 652 CB ASP A 41 -8.351 11.728 5.659 1.00 0.20 C ATOM 653 CG ASP A 41 -9.673 12.383 6.003 1.00 0.72 C ATOM 654 OD1 ASP A 41 -9.901 13.534 5.584 1.00 0.87 O ATOM 655 OD2 ASP A 41 -10.503 11.745 6.686 1.00 1.32 O ATOM 0 H ASP A 41 -9.222 9.996 4.151 1.00 0.12 H new ATOM 0 HA ASP A 41 -8.434 12.666 3.733 1.00 0.13 H new ATOM 0 HB2 ASP A 41 -8.354 10.700 6.022 1.00 0.20 H new ATOM 0 HB3 ASP A 41 -7.546 12.248 6.179 1.00 0.20 H new ATOM 660 N ILE A 42 -6.011 10.440 3.984 1.00 0.10 N ATOM 661 CA ILE A 42 -4.602 10.257 3.730 1.00 0.10 C ATOM 662 C ILE A 42 -4.250 10.681 2.309 1.00 0.10 C ATOM 663 O ILE A 42 -3.304 11.422 2.107 1.00 0.13 O ATOM 664 CB ILE A 42 -4.173 8.807 3.864 1.00 0.12 C ATOM 665 CG1 ILE A 42 -4.820 8.101 5.055 1.00 0.14 C ATOM 666 CG2 ILE A 42 -2.659 8.733 3.958 1.00 0.12 C ATOM 667 CD1 ILE A 42 -4.455 8.638 6.418 1.00 0.12 C ATOM 0 H ILE A 42 -6.517 9.585 4.216 1.00 0.10 H new ATOM 0 HA ILE A 42 -4.088 10.868 4.472 1.00 0.10 H new ATOM 0 HB ILE A 42 -4.517 8.281 2.973 1.00 0.12 H new ATOM 0 HG12 ILE A 42 -5.903 8.157 4.942 1.00 0.14 H new ATOM 0 HG13 ILE A 42 -4.550 7.046 5.017 1.00 0.14 H new ATOM 0 HG21 ILE A 42 -2.351 7.692 4.054 1.00 0.12 H new ATOM 0 HG22 ILE A 42 -2.217 9.160 3.058 1.00 0.12 H new ATOM 0 HG23 ILE A 42 -2.321 9.294 4.829 1.00 0.12 H new ATOM 0 HD11 ILE A 42 -4.971 8.062 7.186 1.00 0.12 H new ATOM 0 HD12 ILE A 42 -3.378 8.556 6.565 1.00 0.12 H new ATOM 0 HD13 ILE A 42 -4.752 9.684 6.488 1.00 0.12 H new ATOM 679 N VAL A 43 -4.998 10.189 1.321 1.00 0.11 N ATOM 680 CA VAL A 43 -4.748 10.565 -0.071 1.00 0.12 C ATOM 681 C VAL A 43 -4.879 12.065 -0.219 1.00 0.12 C ATOM 682 O VAL A 43 -4.052 12.725 -0.820 1.00 0.15 O ATOM 683 CB VAL A 43 -5.730 9.906 -1.059 1.00 0.13 C ATOM 684 CG1 VAL A 43 -5.350 10.245 -2.493 1.00 0.14 C ATOM 685 CG2 VAL A 43 -5.787 8.405 -0.869 1.00 0.15 C ATOM 0 H VAL A 43 -5.772 9.538 1.455 1.00 0.11 H new ATOM 0 HA VAL A 43 -3.742 10.220 -0.310 1.00 0.12 H new ATOM 0 HB VAL A 43 -6.723 10.305 -0.853 1.00 0.13 H new ATOM 0 HG11 VAL A 43 -6.054 9.772 -3.178 1.00 0.14 H new ATOM 0 HG12 VAL A 43 -5.380 11.326 -2.632 1.00 0.14 H new ATOM 0 HG13 VAL A 43 -4.343 9.881 -2.698 1.00 0.14 H new ATOM 0 HG21 VAL A 43 -6.489 7.974 -1.583 1.00 0.15 H new ATOM 0 HG22 VAL A 43 -4.797 7.980 -1.033 1.00 0.15 H new ATOM 0 HG23 VAL A 43 -6.116 8.179 0.145 1.00 0.15 H new ATOM 695 N THR A 44 -5.924 12.586 0.368 1.00 0.12 N ATOM 696 CA THR A 44 -6.203 14.003 0.349 1.00 0.15 C ATOM 697 C THR A 44 -5.067 14.817 0.991 1.00 0.14 C ATOM 698 O THR A 44 -4.822 15.967 0.622 1.00 0.16 O ATOM 699 CB THR A 44 -7.532 14.219 1.086 1.00 0.23 C ATOM 700 OG1 THR A 44 -8.517 14.743 0.185 1.00 0.39 O ATOM 701 CG2 THR A 44 -7.396 15.121 2.305 1.00 0.19 C ATOM 0 H THR A 44 -6.614 12.035 0.879 1.00 0.12 H new ATOM 0 HA THR A 44 -6.278 14.354 -0.680 1.00 0.15 H new ATOM 0 HB THR A 44 -7.852 13.244 1.453 1.00 0.23 H new ATOM 0 HG1 THR A 44 -9.361 14.876 0.664 1.00 0.39 H new ATOM 0 HG21 THR A 44 -8.369 15.235 2.783 1.00 0.19 H new ATOM 0 HG22 THR A 44 -6.695 14.676 3.011 1.00 0.19 H new ATOM 0 HG23 THR A 44 -7.027 16.099 1.995 1.00 0.19 H new ATOM 709 N LYS A 45 -4.371 14.198 1.936 1.00 0.13 N ATOM 710 CA LYS A 45 -3.355 14.879 2.725 1.00 0.14 C ATOM 711 C LYS A 45 -1.943 14.662 2.151 1.00 0.13 C ATOM 712 O LYS A 45 -1.179 15.614 1.996 1.00 0.15 O ATOM 713 CB LYS A 45 -3.492 14.397 4.181 1.00 0.19 C ATOM 714 CG LYS A 45 -2.290 13.681 4.764 1.00 0.39 C ATOM 715 CD LYS A 45 -2.660 12.980 6.060 1.00 1.12 C ATOM 716 CE LYS A 45 -1.438 12.546 6.845 1.00 1.54 C ATOM 717 NZ LYS A 45 -0.913 13.639 7.706 1.00 2.42 N ATOM 0 H LYS A 45 -4.495 13.214 2.176 1.00 0.13 H new ATOM 0 HA LYS A 45 -3.507 15.958 2.689 1.00 0.14 H new ATOM 0 HB2 LYS A 45 -3.714 15.260 4.808 1.00 0.19 H new ATOM 0 HB3 LYS A 45 -4.351 13.729 4.242 1.00 0.19 H new ATOM 0 HG2 LYS A 45 -1.910 12.953 4.047 1.00 0.39 H new ATOM 0 HG3 LYS A 45 -1.488 14.396 4.947 1.00 0.39 H new ATOM 0 HD2 LYS A 45 -3.265 13.648 6.673 1.00 1.12 H new ATOM 0 HD3 LYS A 45 -3.275 12.108 5.837 1.00 1.12 H new ATOM 0 HE2 LYS A 45 -1.692 11.686 7.465 1.00 1.54 H new ATOM 0 HE3 LYS A 45 -0.659 12.222 6.154 1.00 1.54 H new ATOM 0 HZ1 LYS A 45 -0.078 13.301 8.226 1.00 2.42 H new ATOM 0 HZ2 LYS A 45 -0.647 14.451 7.113 1.00 2.42 H new ATOM 0 HZ3 LYS A 45 -1.647 13.931 8.383 1.00 2.42 H new ATOM 731 N GLU A 46 -1.609 13.421 1.819 1.00 0.13 N ATOM 732 CA GLU A 46 -0.302 13.092 1.273 1.00 0.13 C ATOM 733 C GLU A 46 -0.368 12.822 -0.218 1.00 0.13 C ATOM 734 O GLU A 46 0.541 13.195 -0.956 1.00 0.16 O ATOM 735 CB GLU A 46 0.273 11.869 1.990 1.00 0.13 C ATOM 736 CG GLU A 46 0.786 12.195 3.375 1.00 0.19 C ATOM 737 CD GLU A 46 1.716 13.393 3.376 1.00 0.29 C ATOM 738 OE1 GLU A 46 2.582 13.476 2.481 1.00 0.54 O ATOM 739 OE2 GLU A 46 1.583 14.259 4.267 1.00 0.63 O ATOM 0 H GLU A 46 -2.233 12.621 1.920 1.00 0.13 H new ATOM 0 HA GLU A 46 0.347 13.953 1.432 1.00 0.13 H new ATOM 0 HB2 GLU A 46 -0.496 11.100 2.063 1.00 0.13 H new ATOM 0 HB3 GLU A 46 1.085 11.452 1.395 1.00 0.13 H new ATOM 0 HG2 GLU A 46 -0.058 12.392 4.036 1.00 0.19 H new ATOM 0 HG3 GLU A 46 1.311 11.329 3.779 1.00 0.19 H new ATOM 746 N ARG A 47 -1.457 12.196 -0.647 1.00 0.13 N ATOM 747 CA ARG A 47 -1.589 11.697 -2.015 1.00 0.15 C ATOM 748 C ARG A 47 -0.568 10.600 -2.267 1.00 0.12 C ATOM 749 O ARG A 47 0.375 10.794 -3.034 1.00 0.15 O ATOM 750 CB ARG A 47 -1.412 12.817 -3.052 1.00 0.20 C ATOM 751 CG ARG A 47 -2.484 13.890 -2.997 1.00 0.73 C ATOM 752 CD ARG A 47 -2.101 15.098 -3.829 1.00 1.00 C ATOM 753 NE ARG A 47 -0.930 15.785 -3.283 1.00 1.88 N ATOM 754 CZ ARG A 47 -0.033 16.430 -4.022 1.00 2.63 C ATOM 755 NH1 ARG A 47 -0.175 16.488 -5.340 1.00 2.81 N ATOM 756 NH2 ARG A 47 1.000 17.027 -3.439 1.00 3.66 N ATOM 0 H ARG A 47 -2.273 12.019 -0.060 1.00 0.13 H new ATOM 0 HA ARG A 47 -2.597 11.297 -2.124 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -0.438 13.284 -2.904 1.00 0.20 H new ATOM 0 HB3 ARG A 47 -1.405 12.376 -4.049 1.00 0.20 H new ATOM 0 HG2 ARG A 47 -3.428 13.482 -3.358 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -2.643 14.195 -1.963 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -1.894 14.784 -4.852 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -2.941 15.791 -3.872 1.00 1.00 H new ATOM 0 HE ARG A 47 -0.794 15.768 -2.272 1.00 1.88 H new ATOM 0 HH11 ARG A 47 -0.973 16.037 -5.787 1.00 2.81 H new ATOM 0 HH12 ARG A 47 0.514 16.983 -5.906 1.00 2.81 H new ATOM 0 HH21 ARG A 47 1.105 16.990 -2.425 1.00 3.66 H new ATOM 0 HH22 ARG A 47 1.689 17.522 -4.005 1.00 3.66 H new ATOM 770 N PRO A 48 -0.695 9.448 -1.577 1.00 0.11 N ATOM 771 CA PRO A 48 0.206 8.308 -1.800 1.00 0.11 C ATOM 772 C PRO A 48 0.166 7.822 -3.232 1.00 0.12 C ATOM 773 O PRO A 48 -0.755 8.135 -3.979 1.00 0.21 O ATOM 774 CB PRO A 48 -0.335 7.236 -0.847 1.00 0.14 C ATOM 775 CG PRO A 48 -0.956 8.053 0.233 1.00 0.15 C ATOM 776 CD PRO A 48 -1.671 9.152 -0.500 1.00 0.14 C ATOM 0 HA PRO A 48 1.249 8.566 -1.618 1.00 0.11 H new ATOM 0 HB2 PRO A 48 -1.063 6.588 -1.336 1.00 0.14 H new ATOM 0 HB3 PRO A 48 0.459 6.594 -0.465 1.00 0.14 H new ATOM 0 HG2 PRO A 48 -1.646 7.460 0.834 1.00 0.15 H new ATOM 0 HG3 PRO A 48 -0.203 8.452 0.913 1.00 0.15 H new ATOM 0 HD2 PRO A 48 -2.635 8.828 -0.893 1.00 0.14 H new ATOM 0 HD3 PRO A 48 -1.861 10.017 0.135 1.00 0.14 H new ATOM 784 N ASP A 49 1.178 7.084 -3.623 1.00 0.11 N ATOM 785 CA ASP A 49 1.169 6.468 -4.927 1.00 0.14 C ATOM 786 C ASP A 49 0.640 5.066 -4.781 1.00 0.13 C ATOM 787 O ASP A 49 -0.150 4.600 -5.588 1.00 0.19 O ATOM 788 CB ASP A 49 2.561 6.425 -5.544 1.00 0.25 C ATOM 789 CG ASP A 49 3.307 7.739 -5.454 1.00 0.65 C ATOM 790 OD1 ASP A 49 3.172 8.566 -6.384 1.00 0.94 O ATOM 791 OD2 ASP A 49 4.005 7.961 -4.447 1.00 0.98 O ATOM 0 H ASP A 49 2.010 6.897 -3.063 1.00 0.11 H new ATOM 0 HA ASP A 49 0.537 7.060 -5.589 1.00 0.14 H new ATOM 0 HB2 ASP A 49 3.145 5.651 -5.047 1.00 0.25 H new ATOM 0 HB3 ASP A 49 2.476 6.137 -6.592 1.00 0.25 H new ATOM 796 N LEU A 50 1.057 4.415 -3.710 1.00 0.12 N ATOM 797 CA LEU A 50 0.704 3.031 -3.461 1.00 0.12 C ATOM 798 C LEU A 50 -0.118 2.929 -2.190 1.00 0.11 C ATOM 799 O LEU A 50 0.348 3.288 -1.110 1.00 0.12 O ATOM 800 CB LEU A 50 1.965 2.173 -3.332 1.00 0.13 C ATOM 801 CG LEU A 50 2.845 2.089 -4.585 1.00 0.18 C ATOM 802 CD1 LEU A 50 3.828 3.245 -4.632 1.00 0.26 C ATOM 803 CD2 LEU A 50 3.580 0.762 -4.640 1.00 0.20 C ATOM 0 H LEU A 50 1.649 4.831 -2.990 1.00 0.12 H new ATOM 0 HA LEU A 50 0.115 2.665 -4.302 1.00 0.12 H new ATOM 0 HB2 LEU A 50 2.568 2.567 -2.513 1.00 0.13 H new ATOM 0 HB3 LEU A 50 1.667 1.163 -3.051 1.00 0.13 H new ATOM 0 HG LEU A 50 2.196 2.156 -5.458 1.00 0.18 H new ATOM 0 HD11 LEU A 50 4.442 3.165 -5.529 1.00 0.26 H new ATOM 0 HD12 LEU A 50 3.281 4.187 -4.650 1.00 0.26 H new ATOM 0 HD13 LEU A 50 4.468 3.214 -3.751 1.00 0.26 H new ATOM 0 HD21 LEU A 50 4.198 0.725 -5.537 1.00 0.20 H new ATOM 0 HD22 LEU A 50 4.213 0.660 -3.759 1.00 0.20 H new ATOM 0 HD23 LEU A 50 2.857 -0.054 -4.664 1.00 0.20 H new ATOM 815 N VAL A 51 -1.341 2.453 -2.310 1.00 0.10 N ATOM 816 CA VAL A 51 -2.215 2.366 -1.162 1.00 0.10 C ATOM 817 C VAL A 51 -2.596 0.928 -0.882 1.00 0.10 C ATOM 818 O VAL A 51 -3.308 0.303 -1.651 1.00 0.13 O ATOM 819 CB VAL A 51 -3.482 3.203 -1.368 1.00 0.13 C ATOM 820 CG1 VAL A 51 -4.409 3.070 -0.175 1.00 0.21 C ATOM 821 CG2 VAL A 51 -3.112 4.653 -1.614 1.00 0.16 C ATOM 0 H VAL A 51 -1.748 2.123 -3.185 1.00 0.10 H new ATOM 0 HA VAL A 51 -1.669 2.762 -0.305 1.00 0.10 H new ATOM 0 HB VAL A 51 -4.013 2.831 -2.244 1.00 0.13 H new ATOM 0 HG11 VAL A 51 -5.303 3.671 -0.340 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -4.693 2.025 -0.049 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -3.898 3.418 0.723 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -4.019 5.240 -1.759 1.00 0.16 H new ATOM 0 HG22 VAL A 51 -2.563 5.039 -0.755 1.00 0.16 H new ATOM 0 HG23 VAL A 51 -2.488 4.723 -2.505 1.00 0.16 H new ATOM 831 N LEU A 52 -2.117 0.408 0.221 1.00 0.11 N ATOM 832 CA LEU A 52 -2.384 -0.960 0.589 1.00 0.11 C ATOM 833 C LEU A 52 -3.732 -1.047 1.270 1.00 0.11 C ATOM 834 O LEU A 52 -3.877 -0.727 2.439 1.00 0.13 O ATOM 835 CB LEU A 52 -1.272 -1.482 1.485 1.00 0.11 C ATOM 836 CG LEU A 52 0.123 -1.254 0.908 1.00 0.12 C ATOM 837 CD1 LEU A 52 0.784 -0.057 1.572 1.00 0.15 C ATOM 838 CD2 LEU A 52 0.978 -2.499 1.060 1.00 0.15 C ATOM 0 H LEU A 52 -1.534 0.918 0.885 1.00 0.11 H new ATOM 0 HA LEU A 52 -2.413 -1.584 -0.304 1.00 0.11 H new ATOM 0 HB2 LEU A 52 -1.340 -0.995 2.458 1.00 0.11 H new ATOM 0 HB3 LEU A 52 -1.419 -2.549 1.652 1.00 0.11 H new ATOM 0 HG LEU A 52 0.025 -1.042 -0.157 1.00 0.12 H new ATOM 0 HD11 LEU A 52 1.778 0.091 1.149 1.00 0.15 H new ATOM 0 HD12 LEU A 52 0.180 0.834 1.400 1.00 0.15 H new ATOM 0 HD13 LEU A 52 0.869 -0.237 2.644 1.00 0.15 H new ATOM 0 HD21 LEU A 52 1.968 -2.314 0.642 1.00 0.15 H new ATOM 0 HD22 LEU A 52 1.071 -2.750 2.117 1.00 0.15 H new ATOM 0 HD23 LEU A 52 0.510 -3.329 0.530 1.00 0.15 H new ATOM 850 N LEU A 53 -4.719 -1.432 0.497 1.00 0.16 N ATOM 851 CA LEU A 53 -6.083 -1.479 0.953 1.00 0.20 C ATOM 852 C LEU A 53 -6.396 -2.814 1.589 1.00 0.20 C ATOM 853 O LEU A 53 -6.661 -3.787 0.887 1.00 0.19 O ATOM 854 CB LEU A 53 -7.020 -1.270 -0.226 1.00 0.30 C ATOM 855 CG LEU A 53 -7.941 -0.076 -0.119 1.00 0.51 C ATOM 856 CD1 LEU A 53 -8.655 -0.095 1.215 1.00 1.53 C ATOM 857 CD2 LEU A 53 -7.174 1.212 -0.304 1.00 0.90 C ATOM 0 H LEU A 53 -4.595 -1.723 -0.473 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.220 -0.692 1.694 1.00 0.20 H new ATOM 0 HB2 LEU A 53 -6.421 -1.165 -1.130 1.00 0.30 H new ATOM 0 HB3 LEU A 53 -7.628 -2.166 -0.349 1.00 0.30 H new ATOM 0 HG LEU A 53 -8.685 -0.134 -0.913 1.00 0.51 H new ATOM 0 HD11 LEU A 53 -9.317 0.768 1.286 1.00 1.53 H new ATOM 0 HD12 LEU A 53 -9.241 -1.010 1.301 1.00 1.53 H new ATOM 0 HD13 LEU A 53 -7.922 -0.057 2.021 1.00 1.53 H new ATOM 0 HD21 LEU A 53 -7.857 2.057 -0.223 1.00 0.90 H new ATOM 0 HD22 LEU A 53 -6.406 1.292 0.465 1.00 0.90 H new ATOM 0 HD23 LEU A 53 -6.705 1.218 -1.288 1.00 0.90 H new ATOM 869 N ASP A 54 -6.376 -2.871 2.898 1.00 0.28 N ATOM 870 CA ASP A 54 -6.717 -4.103 3.581 1.00 0.35 C ATOM 871 C ASP A 54 -8.197 -4.395 3.385 1.00 0.37 C ATOM 872 O ASP A 54 -9.058 -3.791 4.024 1.00 0.63 O ATOM 873 CB ASP A 54 -6.379 -4.015 5.061 1.00 0.59 C ATOM 874 CG ASP A 54 -6.666 -5.301 5.797 1.00 1.03 C ATOM 875 OD1 ASP A 54 -6.399 -6.374 5.230 1.00 1.33 O ATOM 876 OD2 ASP A 54 -7.167 -5.248 6.944 1.00 1.47 O ATOM 0 H ASP A 54 -6.131 -2.092 3.509 1.00 0.28 H new ATOM 0 HA ASP A 54 -6.131 -4.918 3.156 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -5.325 -3.762 5.175 1.00 0.59 H new ATOM 0 HB3 ASP A 54 -6.952 -3.206 5.514 1.00 0.59 H new ATOM 881 N MET A 55 -8.494 -5.297 2.464 1.00 0.23 N ATOM 882 CA MET A 55 -9.879 -5.631 2.153 1.00 0.29 C ATOM 883 C MET A 55 -10.473 -6.539 3.221 1.00 0.35 C ATOM 884 O MET A 55 -11.661 -6.850 3.180 1.00 0.50 O ATOM 885 CB MET A 55 -9.997 -6.330 0.795 1.00 0.30 C ATOM 886 CG MET A 55 -9.489 -5.525 -0.393 1.00 0.32 C ATOM 887 SD MET A 55 -9.945 -6.287 -1.960 1.00 0.70 S ATOM 888 CE MET A 55 -11.712 -6.501 -1.737 1.00 0.94 C ATOM 0 H MET A 55 -7.801 -5.810 1.920 1.00 0.23 H new ATOM 0 HA MET A 55 -10.430 -4.691 2.121 1.00 0.29 H new ATOM 0 HB2 MET A 55 -9.447 -7.270 0.839 1.00 0.30 H new ATOM 0 HB3 MET A 55 -11.044 -6.581 0.623 1.00 0.30 H new ATOM 0 HG2 MET A 55 -9.895 -4.515 -0.348 1.00 0.32 H new ATOM 0 HG3 MET A 55 -8.404 -5.435 -0.334 1.00 0.32 H new ATOM 0 HE1 MET A 55 -12.203 -6.513 -2.710 1.00 0.94 H new ATOM 0 HE2 MET A 55 -11.902 -7.443 -1.223 1.00 0.94 H new ATOM 0 HE3 MET A 55 -12.106 -5.677 -1.142 1.00 0.94 H new ATOM 898 N LYS A 56 -9.635 -6.969 4.162 1.00 0.30 N ATOM 899 CA LYS A 56 -10.051 -7.899 5.208 1.00 0.35 C ATOM 900 C LYS A 56 -11.323 -7.465 5.929 1.00 0.34 C ATOM 901 O LYS A 56 -12.289 -8.230 5.999 1.00 0.44 O ATOM 902 CB LYS A 56 -8.936 -8.083 6.231 1.00 0.34 C ATOM 903 CG LYS A 56 -7.729 -8.826 5.684 1.00 0.46 C ATOM 904 CD LYS A 56 -8.096 -10.191 5.116 1.00 0.59 C ATOM 905 CE LYS A 56 -8.903 -11.022 6.101 1.00 1.26 C ATOM 906 NZ LYS A 56 -8.235 -11.137 7.428 1.00 2.24 N ATOM 0 H LYS A 56 -8.657 -6.685 4.221 1.00 0.30 H new ATOM 0 HA LYS A 56 -10.266 -8.842 4.705 1.00 0.35 H new ATOM 0 HB2 LYS A 56 -8.618 -7.104 6.590 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -9.328 -8.626 7.091 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -7.259 -8.226 4.905 1.00 0.46 H new ATOM 0 HG3 LYS A 56 -6.993 -8.952 6.478 1.00 0.46 H new ATOM 0 HD2 LYS A 56 -8.669 -10.059 4.198 1.00 0.59 H new ATOM 0 HD3 LYS A 56 -7.186 -10.729 4.849 1.00 0.59 H new ATOM 0 HE2 LYS A 56 -9.887 -10.572 6.231 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.060 -12.019 5.689 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -8.409 -12.083 7.823 1.00 2.24 H new ATOM 0 HZ2 LYS A 56 -7.211 -10.992 7.315 1.00 2.24 H new ATOM 0 HZ3 LYS A 56 -8.618 -10.416 8.073 1.00 2.24 H new ATOM 920 N ILE A 57 -11.330 -6.251 6.462 1.00 0.29 N ATOM 921 CA ILE A 57 -12.419 -5.816 7.329 1.00 0.36 C ATOM 922 C ILE A 57 -12.315 -4.345 7.827 1.00 0.30 C ATOM 923 O ILE A 57 -13.295 -3.858 8.387 1.00 0.40 O ATOM 924 CB ILE A 57 -12.537 -6.759 8.559 1.00 0.51 C ATOM 925 CG1 ILE A 57 -13.901 -6.612 9.240 1.00 1.45 C ATOM 926 CG2 ILE A 57 -11.419 -6.495 9.558 1.00 0.90 C ATOM 927 CD1 ILE A 57 -15.065 -6.996 8.351 1.00 2.06 C ATOM 0 H ILE A 57 -10.601 -5.554 6.312 1.00 0.29 H new ATOM 0 HA ILE A 57 -13.311 -5.865 6.704 1.00 0.36 H new ATOM 0 HB ILE A 57 -12.443 -7.783 8.197 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -13.919 -7.232 10.137 1.00 1.45 H new ATOM 0 HG13 ILE A 57 -14.027 -5.579 9.564 1.00 1.45 H new ATOM 0 HG21 ILE A 57 -11.525 -7.168 10.409 1.00 0.90 H new ATOM 0 HG22 ILE A 57 -10.455 -6.665 9.079 1.00 0.90 H new ATOM 0 HG23 ILE A 57 -11.475 -5.463 9.903 1.00 0.90 H new ATOM 0 HD11 ILE A 57 -15.999 -6.867 8.898 1.00 2.06 H new ATOM 0 HD12 ILE A 57 -15.072 -6.360 7.466 1.00 2.06 H new ATOM 0 HD13 ILE A 57 -14.963 -8.038 8.048 1.00 2.06 H new ATOM 939 N PRO A 58 -11.165 -3.603 7.655 1.00 0.29 N ATOM 940 CA PRO A 58 -11.019 -2.215 8.151 1.00 0.31 C ATOM 941 C PRO A 58 -12.300 -1.376 8.165 1.00 0.27 C ATOM 942 O PRO A 58 -12.642 -0.778 9.188 1.00 0.33 O ATOM 943 CB PRO A 58 -10.004 -1.651 7.174 1.00 0.40 C ATOM 944 CG PRO A 58 -9.048 -2.774 7.010 1.00 0.45 C ATOM 945 CD PRO A 58 -9.898 -4.021 6.992 1.00 0.45 C ATOM 0 HA PRO A 58 -10.730 -2.196 9.202 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -10.466 -1.371 6.227 1.00 0.40 H new ATOM 0 HB3 PRO A 58 -9.517 -0.759 7.567 1.00 0.40 H new ATOM 0 HG2 PRO A 58 -8.478 -2.673 6.087 1.00 0.45 H new ATOM 0 HG3 PRO A 58 -8.328 -2.800 7.828 1.00 0.45 H new ATOM 0 HD2 PRO A 58 -10.076 -4.368 5.974 1.00 0.45 H new ATOM 0 HD3 PRO A 58 -9.418 -4.839 7.529 1.00 0.45 H new ATOM 953 N GLY A 59 -13.008 -1.333 7.048 1.00 0.32 N ATOM 954 CA GLY A 59 -14.255 -0.593 7.010 1.00 0.44 C ATOM 955 C GLY A 59 -15.063 -0.875 5.767 1.00 0.40 C ATOM 956 O GLY A 59 -16.280 -1.055 5.828 1.00 0.47 O ATOM 0 H GLY A 59 -12.747 -1.791 6.175 1.00 0.32 H new ATOM 0 HA2 GLY A 59 -14.849 -0.844 7.889 1.00 0.44 H new ATOM 0 HA3 GLY A 59 -14.041 0.474 7.065 1.00 0.44 H new ATOM 960 N MET A 60 -14.386 -0.910 4.639 1.00 0.32 N ATOM 961 CA MET A 60 -15.032 -1.147 3.365 1.00 0.30 C ATOM 962 C MET A 60 -14.069 -1.895 2.459 1.00 0.21 C ATOM 963 O MET A 60 -12.880 -1.995 2.774 1.00 0.18 O ATOM 964 CB MET A 60 -15.453 0.185 2.730 1.00 0.37 C ATOM 965 CG MET A 60 -16.334 0.034 1.499 1.00 0.43 C ATOM 966 SD MET A 60 -17.865 -0.855 1.847 1.00 1.82 S ATOM 967 CE MET A 60 -18.598 -0.917 0.211 1.00 2.23 C ATOM 0 H MET A 60 -13.377 -0.776 4.579 1.00 0.32 H new ATOM 0 HA MET A 60 -15.930 -1.748 3.510 1.00 0.30 H new ATOM 0 HB2 MET A 60 -15.985 0.778 3.474 1.00 0.37 H new ATOM 0 HB3 MET A 60 -14.558 0.744 2.457 1.00 0.37 H new ATOM 0 HG2 MET A 60 -16.573 1.022 1.104 1.00 0.43 H new ATOM 0 HG3 MET A 60 -15.780 -0.494 0.723 1.00 0.43 H new ATOM 0 HE1 MET A 60 -19.636 -1.242 0.289 1.00 2.23 H new ATOM 0 HE2 MET A 60 -18.561 0.074 -0.242 1.00 2.23 H new ATOM 0 HE3 MET A 60 -18.044 -1.621 -0.410 1.00 2.23 H new ATOM 977 N ASP A 61 -14.573 -2.424 1.353 1.00 0.21 N ATOM 978 CA ASP A 61 -13.743 -3.120 0.394 1.00 0.18 C ATOM 979 C ASP A 61 -12.666 -2.203 -0.129 1.00 0.14 C ATOM 980 O ASP A 61 -12.911 -1.022 -0.418 1.00 0.17 O ATOM 981 CB ASP A 61 -14.569 -3.625 -0.788 1.00 0.26 C ATOM 982 CG ASP A 61 -15.406 -4.837 -0.444 1.00 0.48 C ATOM 983 OD1 ASP A 61 -14.882 -5.965 -0.516 1.00 0.67 O ATOM 984 OD2 ASP A 61 -16.588 -4.660 -0.096 1.00 0.64 O ATOM 0 H ASP A 61 -15.560 -2.381 1.101 1.00 0.21 H new ATOM 0 HA ASP A 61 -13.294 -3.971 0.907 1.00 0.18 H new ATOM 0 HB2 ASP A 61 -15.222 -2.825 -1.137 1.00 0.26 H new ATOM 0 HB3 ASP A 61 -13.901 -3.873 -1.613 1.00 0.26 H new ATOM 989 N GLY A 62 -11.479 -2.760 -0.267 1.00 0.16 N ATOM 990 CA GLY A 62 -10.357 -1.997 -0.744 1.00 0.20 C ATOM 991 C GLY A 62 -10.582 -1.445 -2.123 1.00 0.20 C ATOM 992 O GLY A 62 -9.876 -0.549 -2.564 1.00 0.32 O ATOM 0 H GLY A 62 -11.273 -3.736 -0.055 1.00 0.16 H new ATOM 0 HA2 GLY A 62 -10.161 -1.176 -0.055 1.00 0.20 H new ATOM 0 HA3 GLY A 62 -9.468 -2.628 -0.749 1.00 0.20 H new ATOM 996 N ILE A 63 -11.582 -1.972 -2.794 1.00 0.16 N ATOM 997 CA ILE A 63 -11.887 -1.565 -4.140 1.00 0.17 C ATOM 998 C ILE A 63 -12.658 -0.268 -4.133 1.00 0.18 C ATOM 999 O ILE A 63 -12.326 0.662 -4.859 1.00 0.22 O ATOM 1000 CB ILE A 63 -12.708 -2.635 -4.854 1.00 0.21 C ATOM 1001 CG1 ILE A 63 -12.276 -4.024 -4.391 1.00 0.26 C ATOM 1002 CG2 ILE A 63 -12.557 -2.498 -6.363 1.00 0.30 C ATOM 1003 CD1 ILE A 63 -10.795 -4.272 -4.515 1.00 1.31 C ATOM 0 H ILE A 63 -12.202 -2.691 -2.421 1.00 0.16 H new ATOM 0 HA ILE A 63 -10.946 -1.425 -4.671 1.00 0.17 H new ATOM 0 HB ILE A 63 -13.760 -2.499 -4.603 1.00 0.21 H new ATOM 0 HG12 ILE A 63 -12.572 -4.158 -3.351 1.00 0.26 H new ATOM 0 HG13 ILE A 63 -12.811 -4.774 -4.974 1.00 0.26 H new ATOM 0 HG21 ILE A 63 -13.148 -3.268 -6.859 1.00 0.30 H new ATOM 0 HG22 ILE A 63 -12.907 -1.514 -6.676 1.00 0.30 H new ATOM 0 HG23 ILE A 63 -11.508 -2.614 -6.636 1.00 0.30 H new ATOM 0 HD11 ILE A 63 -10.564 -5.279 -4.167 1.00 1.31 H new ATOM 0 HD12 ILE A 63 -10.495 -4.171 -5.558 1.00 1.31 H new ATOM 0 HD13 ILE A 63 -10.253 -3.546 -3.910 1.00 1.31 H new ATOM 1015 N GLU A 64 -13.680 -0.207 -3.293 1.00 0.15 N ATOM 1016 CA GLU A 64 -14.474 1.001 -3.155 1.00 0.17 C ATOM 1017 C GLU A 64 -13.585 2.130 -2.668 1.00 0.16 C ATOM 1018 O GLU A 64 -13.712 3.282 -3.090 1.00 0.18 O ATOM 1019 CB GLU A 64 -15.627 0.773 -2.183 1.00 0.21 C ATOM 1020 CG GLU A 64 -16.578 -0.323 -2.625 1.00 0.24 C ATOM 1021 CD GLU A 64 -17.126 -0.084 -4.016 1.00 0.32 C ATOM 1022 OE1 GLU A 64 -17.985 0.806 -4.179 1.00 0.47 O ATOM 1023 OE2 GLU A 64 -16.707 -0.792 -4.952 1.00 0.43 O ATOM 0 H GLU A 64 -13.978 -0.980 -2.698 1.00 0.15 H new ATOM 0 HA GLU A 64 -14.897 1.267 -4.124 1.00 0.17 H new ATOM 0 HB2 GLU A 64 -15.222 0.520 -1.203 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -16.184 1.703 -2.067 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -16.060 -1.282 -2.601 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -17.405 -0.390 -1.918 1.00 0.24 H new ATOM 1030 N ILE A 65 -12.655 1.777 -1.801 1.00 0.15 N ATOM 1031 CA ILE A 65 -11.706 2.744 -1.286 1.00 0.16 C ATOM 1032 C ILE A 65 -10.674 3.131 -2.352 1.00 0.15 C ATOM 1033 O ILE A 65 -10.279 4.294 -2.456 1.00 0.16 O ATOM 1034 CB ILE A 65 -11.006 2.207 -0.028 1.00 0.19 C ATOM 1035 CG1 ILE A 65 -12.058 1.822 1.016 1.00 0.24 C ATOM 1036 CG2 ILE A 65 -10.046 3.248 0.535 1.00 0.25 C ATOM 1037 CD1 ILE A 65 -11.496 1.082 2.205 1.00 0.69 C ATOM 0 H ILE A 65 -12.537 0.830 -1.440 1.00 0.15 H new ATOM 0 HA ILE A 65 -12.262 3.641 -1.014 1.00 0.16 H new ATOM 0 HB ILE A 65 -10.426 1.323 -0.291 1.00 0.19 H new ATOM 0 HG12 ILE A 65 -12.557 2.726 1.365 1.00 0.24 H new ATOM 0 HG13 ILE A 65 -12.818 1.202 0.540 1.00 0.24 H new ATOM 0 HG21 ILE A 65 -9.559 2.850 1.426 1.00 0.25 H new ATOM 0 HG22 ILE A 65 -9.291 3.490 -0.214 1.00 0.25 H new ATOM 0 HG23 ILE A 65 -10.600 4.150 0.796 1.00 0.25 H new ATOM 0 HD11 ILE A 65 -12.302 0.844 2.900 1.00 0.69 H new ATOM 0 HD12 ILE A 65 -11.022 0.160 1.869 1.00 0.69 H new ATOM 0 HD13 ILE A 65 -10.757 1.707 2.707 1.00 0.69 H new ATOM 1049 N LEU A 66 -10.262 2.175 -3.170 1.00 0.15 N ATOM 1050 CA LEU A 66 -9.278 2.465 -4.200 1.00 0.22 C ATOM 1051 C LEU A 66 -9.883 3.327 -5.293 1.00 0.16 C ATOM 1052 O LEU A 66 -9.229 4.219 -5.801 1.00 0.15 O ATOM 1053 CB LEU A 66 -8.651 1.174 -4.769 1.00 0.43 C ATOM 1054 CG LEU A 66 -9.459 0.352 -5.788 1.00 0.59 C ATOM 1055 CD1 LEU A 66 -9.305 0.915 -7.195 1.00 0.86 C ATOM 1056 CD2 LEU A 66 -9.012 -1.105 -5.760 1.00 1.47 C ATOM 0 H LEU A 66 -10.587 1.208 -3.143 1.00 0.15 H new ATOM 0 HA LEU A 66 -8.468 3.031 -3.740 1.00 0.22 H new ATOM 0 HB2 LEU A 66 -7.704 1.444 -5.237 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -8.416 0.521 -3.928 1.00 0.43 H new ATOM 0 HG LEU A 66 -10.511 0.411 -5.510 1.00 0.59 H new ATOM 0 HD11 LEU A 66 -9.887 0.314 -7.893 1.00 0.86 H new ATOM 0 HD12 LEU A 66 -9.663 1.944 -7.216 1.00 0.86 H new ATOM 0 HD13 LEU A 66 -8.254 0.891 -7.484 1.00 0.86 H new ATOM 0 HD21 LEU A 66 -9.591 -1.677 -6.485 1.00 1.47 H new ATOM 0 HD22 LEU A 66 -7.953 -1.166 -6.012 1.00 1.47 H new ATOM 0 HD23 LEU A 66 -9.172 -1.516 -4.763 1.00 1.47 H new ATOM 1068 N LYS A 67 -11.135 3.086 -5.631 1.00 0.17 N ATOM 1069 CA LYS A 67 -11.779 3.860 -6.681 1.00 0.17 C ATOM 1070 C LYS A 67 -12.094 5.265 -6.204 1.00 0.14 C ATOM 1071 O LYS A 67 -12.017 6.211 -6.981 1.00 0.15 O ATOM 1072 CB LYS A 67 -13.037 3.154 -7.184 1.00 0.22 C ATOM 1073 CG LYS A 67 -14.020 2.812 -6.081 1.00 0.19 C ATOM 1074 CD LYS A 67 -15.166 1.947 -6.586 1.00 0.27 C ATOM 1075 CE LYS A 67 -14.666 0.584 -7.046 1.00 0.42 C ATOM 1076 NZ LYS A 67 -15.778 -0.332 -7.423 1.00 0.65 N ATOM 0 H LYS A 67 -11.722 2.371 -5.202 1.00 0.17 H new ATOM 0 HA LYS A 67 -11.084 3.940 -7.517 1.00 0.17 H new ATOM 0 HB2 LYS A 67 -13.533 3.790 -7.917 1.00 0.22 H new ATOM 0 HB3 LYS A 67 -12.749 2.238 -7.700 1.00 0.22 H new ATOM 0 HG2 LYS A 67 -13.498 2.290 -5.279 1.00 0.19 H new ATOM 0 HG3 LYS A 67 -14.421 3.732 -5.655 1.00 0.19 H new ATOM 0 HD2 LYS A 67 -15.904 1.818 -5.794 1.00 0.27 H new ATOM 0 HD3 LYS A 67 -15.669 2.451 -7.412 1.00 0.27 H new ATOM 0 HE2 LYS A 67 -14.001 0.713 -7.900 1.00 0.42 H new ATOM 0 HE3 LYS A 67 -14.078 0.128 -6.250 1.00 0.42 H new ATOM 0 HZ1 LYS A 67 -15.397 -1.280 -7.615 1.00 0.65 H new ATOM 0 HZ2 LYS A 67 -16.463 -0.385 -6.643 1.00 0.65 H new ATOM 0 HZ3 LYS A 67 -16.252 0.029 -8.276 1.00 0.65 H new ATOM 1090 N ARG A 68 -12.436 5.418 -4.934 1.00 0.13 N ATOM 1091 CA ARG A 68 -12.593 6.760 -4.392 1.00 0.14 C ATOM 1092 C ARG A 68 -11.259 7.513 -4.376 1.00 0.12 C ATOM 1093 O ARG A 68 -11.224 8.720 -4.631 1.00 0.15 O ATOM 1094 CB ARG A 68 -13.259 6.758 -3.005 1.00 0.16 C ATOM 1095 CG ARG A 68 -12.502 6.008 -1.933 1.00 0.25 C ATOM 1096 CD ARG A 68 -13.388 5.712 -0.735 1.00 0.37 C ATOM 1097 NE ARG A 68 -14.088 6.900 -0.255 1.00 1.18 N ATOM 1098 CZ ARG A 68 -14.983 6.888 0.730 1.00 1.28 C ATOM 1099 NH1 ARG A 68 -15.293 5.750 1.339 1.00 0.98 N ATOM 1100 NH2 ARG A 68 -15.584 8.012 1.089 1.00 2.18 N ATOM 0 H ARG A 68 -12.606 4.657 -4.277 1.00 0.13 H new ATOM 0 HA ARG A 68 -13.269 7.294 -5.060 1.00 0.14 H new ATOM 0 HB2 ARG A 68 -13.391 7.790 -2.681 1.00 0.16 H new ATOM 0 HB3 ARG A 68 -14.254 6.323 -3.097 1.00 0.16 H new ATOM 0 HG2 ARG A 68 -12.117 5.074 -2.343 1.00 0.25 H new ATOM 0 HG3 ARG A 68 -11.641 6.595 -1.615 1.00 0.25 H new ATOM 0 HD2 ARG A 68 -14.117 4.948 -1.005 1.00 0.37 H new ATOM 0 HD3 ARG A 68 -12.780 5.301 0.071 1.00 0.37 H new ATOM 0 HE ARG A 68 -13.879 7.793 -0.701 1.00 1.18 H new ATOM 0 HH11 ARG A 68 -14.845 4.880 1.053 1.00 0.98 H new ATOM 0 HH12 ARG A 68 -15.980 5.746 2.093 1.00 0.98 H new ATOM 0 HH21 ARG A 68 -15.361 8.885 0.611 1.00 2.18 H new ATOM 0 HH22 ARG A 68 -16.270 8.005 1.844 1.00 2.18 H new ATOM 1114 N MET A 69 -10.144 6.828 -4.139 1.00 0.11 N ATOM 1115 CA MET A 69 -8.877 7.517 -4.195 1.00 0.12 C ATOM 1116 C MET A 69 -8.395 7.591 -5.627 1.00 0.10 C ATOM 1117 O MET A 69 -7.476 8.326 -5.943 1.00 0.12 O ATOM 1118 CB MET A 69 -7.831 6.880 -3.299 1.00 0.15 C ATOM 1119 CG MET A 69 -7.670 5.401 -3.515 1.00 0.25 C ATOM 1120 SD MET A 69 -6.038 4.819 -3.045 1.00 0.33 S ATOM 1121 CE MET A 69 -6.065 3.158 -3.689 1.00 1.28 C ATOM 0 H MET A 69 -10.098 5.834 -3.915 1.00 0.11 H new ATOM 0 HA MET A 69 -9.032 8.528 -3.817 1.00 0.12 H new ATOM 0 HB2 MET A 69 -6.872 7.370 -3.470 1.00 0.15 H new ATOM 0 HB3 MET A 69 -8.099 7.059 -2.258 1.00 0.15 H new ATOM 0 HG2 MET A 69 -8.424 4.867 -2.937 1.00 0.25 H new ATOM 0 HG3 MET A 69 -7.848 5.168 -4.565 1.00 0.25 H new ATOM 0 HE1 MET A 69 -5.045 2.781 -3.766 1.00 1.28 H new ATOM 0 HE2 MET A 69 -6.639 2.518 -3.020 1.00 1.28 H new ATOM 0 HE3 MET A 69 -6.527 3.158 -4.676 1.00 1.28 H new ATOM 1131 N LYS A 70 -9.043 6.828 -6.488 1.00 0.08 N ATOM 1132 CA LYS A 70 -8.789 6.884 -7.914 1.00 0.10 C ATOM 1133 C LYS A 70 -9.490 8.090 -8.522 1.00 0.13 C ATOM 1134 O LYS A 70 -8.992 8.718 -9.447 1.00 0.23 O ATOM 1135 CB LYS A 70 -9.300 5.621 -8.591 1.00 0.14 C ATOM 1136 CG LYS A 70 -8.197 4.770 -9.162 1.00 0.17 C ATOM 1137 CD LYS A 70 -7.416 4.076 -8.099 1.00 0.41 C ATOM 1138 CE LYS A 70 -6.696 2.901 -8.710 1.00 0.33 C ATOM 1139 NZ LYS A 70 -5.685 3.323 -9.724 1.00 1.30 N ATOM 0 H LYS A 70 -9.759 6.153 -6.218 1.00 0.08 H new ATOM 0 HA LYS A 70 -7.713 6.968 -8.068 1.00 0.10 H new ATOM 0 HB2 LYS A 70 -9.868 5.033 -7.870 1.00 0.14 H new ATOM 0 HB3 LYS A 70 -9.988 5.897 -9.390 1.00 0.14 H new ATOM 0 HG2 LYS A 70 -8.624 4.030 -9.839 1.00 0.17 H new ATOM 0 HG3 LYS A 70 -7.528 5.394 -9.754 1.00 0.17 H new ATOM 0 HD2 LYS A 70 -6.700 4.763 -7.648 1.00 0.41 H new ATOM 0 HD3 LYS A 70 -8.080 3.739 -7.303 1.00 0.41 H new ATOM 0 HE2 LYS A 70 -6.202 2.331 -7.923 1.00 0.33 H new ATOM 0 HE3 LYS A 70 -7.422 2.236 -9.178 1.00 0.33 H new ATOM 0 HZ1 LYS A 70 -5.047 2.528 -9.930 1.00 1.30 H new ATOM 0 HZ2 LYS A 70 -6.169 3.613 -10.597 1.00 1.30 H new ATOM 0 HZ3 LYS A 70 -5.133 4.122 -9.352 1.00 1.30 H new ATOM 1153 N VAL A 71 -10.656 8.406 -7.987 1.00 0.13 N ATOM 1154 CA VAL A 71 -11.447 9.511 -8.493 1.00 0.18 C ATOM 1155 C VAL A 71 -10.811 10.821 -8.071 1.00 0.15 C ATOM 1156 O VAL A 71 -10.844 11.813 -8.803 1.00 0.16 O ATOM 1157 CB VAL A 71 -12.905 9.426 -7.998 1.00 0.26 C ATOM 1158 CG1 VAL A 71 -13.059 9.909 -6.570 1.00 0.87 C ATOM 1159 CG2 VAL A 71 -13.843 10.167 -8.934 1.00 1.03 C ATOM 0 H VAL A 71 -11.076 7.911 -7.200 1.00 0.13 H new ATOM 0 HA VAL A 71 -11.469 9.457 -9.581 1.00 0.18 H new ATOM 0 HB VAL A 71 -13.181 8.372 -8.004 1.00 0.26 H new ATOM 0 HG11 VAL A 71 -14.104 9.829 -6.269 1.00 0.87 H new ATOM 0 HG12 VAL A 71 -12.444 9.297 -5.911 1.00 0.87 H new ATOM 0 HG13 VAL A 71 -12.741 10.949 -6.501 1.00 0.87 H new ATOM 0 HG21 VAL A 71 -14.864 10.091 -8.561 1.00 1.03 H new ATOM 0 HG22 VAL A 71 -13.553 11.216 -8.985 1.00 1.03 H new ATOM 0 HG23 VAL A 71 -13.787 9.727 -9.929 1.00 1.03 H new ATOM 1169 N ILE A 72 -10.223 10.810 -6.885 1.00 0.13 N ATOM 1170 CA ILE A 72 -9.449 11.957 -6.428 1.00 0.14 C ATOM 1171 C ILE A 72 -8.046 11.927 -7.042 1.00 0.15 C ATOM 1172 O ILE A 72 -7.498 12.974 -7.384 1.00 0.26 O ATOM 1173 CB ILE A 72 -9.374 12.063 -4.879 1.00 0.16 C ATOM 1174 CG1 ILE A 72 -8.745 10.814 -4.266 1.00 0.13 C ATOM 1175 CG2 ILE A 72 -10.763 12.294 -4.297 1.00 0.22 C ATOM 1176 CD1 ILE A 72 -8.700 10.844 -2.753 1.00 0.14 C ATOM 0 H ILE A 72 -10.265 10.031 -6.228 1.00 0.13 H new ATOM 0 HA ILE A 72 -9.973 12.850 -6.769 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.739 12.914 -4.632 1.00 0.16 H new ATOM 0 HG12 ILE A 72 -9.307 9.938 -4.588 1.00 0.13 H new ATOM 0 HG13 ILE A 72 -7.731 10.701 -4.650 1.00 0.13 H new ATOM 0 HG21 ILE A 72 -10.695 12.366 -3.212 1.00 0.22 H new ATOM 0 HG22 ILE A 72 -11.176 13.220 -4.697 1.00 0.22 H new ATOM 0 HG23 ILE A 72 -11.413 11.461 -4.565 1.00 0.22 H new ATOM 0 HD11 ILE A 72 -8.241 9.927 -2.384 1.00 0.14 H new ATOM 0 HD12 ILE A 72 -8.113 11.701 -2.423 1.00 0.14 H new ATOM 0 HD13 ILE A 72 -9.714 10.926 -2.360 1.00 0.14 H new ATOM 1188 N ASP A 73 -7.493 10.724 -7.226 1.00 0.11 N ATOM 1189 CA ASP A 73 -6.164 10.563 -7.822 1.00 0.12 C ATOM 1190 C ASP A 73 -5.974 9.196 -8.466 1.00 0.13 C ATOM 1191 O ASP A 73 -5.502 8.267 -7.831 1.00 0.17 O ATOM 1192 CB ASP A 73 -5.063 10.753 -6.779 1.00 0.20 C ATOM 1193 CG ASP A 73 -4.540 12.176 -6.713 1.00 0.61 C ATOM 1194 OD1 ASP A 73 -3.776 12.570 -7.621 1.00 0.76 O ATOM 1195 OD2 ASP A 73 -4.886 12.905 -5.762 1.00 1.08 O ATOM 0 H ASP A 73 -7.946 9.847 -6.970 1.00 0.11 H new ATOM 0 HA ASP A 73 -6.092 11.330 -8.593 1.00 0.12 H new ATOM 0 HB2 ASP A 73 -5.447 10.468 -5.799 1.00 0.20 H new ATOM 0 HB3 ASP A 73 -4.237 10.079 -7.006 1.00 0.20 H new ATOM 1200 N GLU A 74 -6.296 9.079 -9.740 1.00 0.13 N ATOM 1201 CA GLU A 74 -6.061 7.830 -10.468 1.00 0.16 C ATOM 1202 C GLU A 74 -4.573 7.648 -10.741 1.00 0.18 C ATOM 1203 O GLU A 74 -4.153 6.712 -11.423 1.00 0.24 O ATOM 1204 CB GLU A 74 -6.832 7.798 -11.772 1.00 0.18 C ATOM 1205 CG GLU A 74 -7.931 6.757 -11.787 1.00 0.52 C ATOM 1206 CD GLU A 74 -7.434 5.405 -12.265 1.00 1.26 C ATOM 1207 OE1 GLU A 74 -6.451 4.896 -11.692 1.00 1.67 O ATOM 1208 OE2 GLU A 74 -8.014 4.853 -13.225 1.00 1.78 O ATOM 0 H GLU A 74 -6.718 9.823 -10.296 1.00 0.13 H new ATOM 0 HA GLU A 74 -6.415 7.010 -9.843 1.00 0.16 H new ATOM 0 HB2 GLU A 74 -7.268 8.780 -11.954 1.00 0.18 H new ATOM 0 HB3 GLU A 74 -6.141 7.600 -12.591 1.00 0.18 H new ATOM 0 HG2 GLU A 74 -8.347 6.656 -10.784 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.740 7.095 -12.435 1.00 0.52 H new ATOM 1215 N ASN A 75 -3.784 8.564 -10.204 1.00 0.17 N ATOM 1216 CA ASN A 75 -2.339 8.437 -10.201 1.00 0.21 C ATOM 1217 C ASN A 75 -1.984 7.324 -9.248 1.00 0.20 C ATOM 1218 O ASN A 75 -0.968 6.640 -9.376 1.00 0.27 O ATOM 1219 CB ASN A 75 -1.706 9.746 -9.731 1.00 0.24 C ATOM 1220 CG ASN A 75 -0.403 9.541 -8.974 1.00 0.26 C ATOM 1221 OD1 ASN A 75 0.679 9.516 -9.562 1.00 0.35 O ATOM 1222 ND2 ASN A 75 -0.505 9.408 -7.658 1.00 0.22 N ATOM 0 H ASN A 75 -4.128 9.415 -9.759 1.00 0.17 H new ATOM 0 HA ASN A 75 -1.969 8.217 -11.202 1.00 0.21 H new ATOM 0 HB2 ASN A 75 -1.521 10.384 -10.595 1.00 0.24 H new ATOM 0 HB3 ASN A 75 -2.412 10.275 -9.090 1.00 0.24 H new ATOM 0 HD21 ASN A 75 0.334 9.279 -7.092 1.00 0.22 H new ATOM 0 HD22 ASN A 75 -1.422 9.435 -7.212 1.00 0.22 H new ATOM 1229 N ILE A 76 -2.891 7.148 -8.313 1.00 0.16 N ATOM 1230 CA ILE A 76 -2.711 6.256 -7.205 1.00 0.16 C ATOM 1231 C ILE A 76 -2.920 4.822 -7.628 1.00 0.17 C ATOM 1232 O ILE A 76 -3.545 4.541 -8.653 1.00 0.21 O ATOM 1233 CB ILE A 76 -3.709 6.629 -6.096 1.00 0.16 C ATOM 1234 CG1 ILE A 76 -3.072 6.521 -4.730 1.00 0.16 C ATOM 1235 CG2 ILE A 76 -4.988 5.784 -6.146 1.00 0.18 C ATOM 1236 CD1 ILE A 76 -3.847 7.285 -3.688 1.00 0.19 C ATOM 0 H ILE A 76 -3.788 7.633 -8.307 1.00 0.16 H new ATOM 0 HA ILE A 76 -1.691 6.351 -6.834 1.00 0.16 H new ATOM 0 HB ILE A 76 -3.993 7.666 -6.276 1.00 0.16 H new ATOM 0 HG12 ILE A 76 -3.010 5.472 -4.440 1.00 0.16 H new ATOM 0 HG13 ILE A 76 -2.051 6.900 -4.774 1.00 0.16 H new ATOM 0 HG21 ILE A 76 -5.657 6.089 -5.341 1.00 0.18 H new ATOM 0 HG22 ILE A 76 -5.484 5.931 -7.106 1.00 0.18 H new ATOM 0 HG23 ILE A 76 -4.733 4.731 -6.027 1.00 0.18 H new ATOM 0 HD11 ILE A 76 -3.356 7.181 -2.721 1.00 0.19 H new ATOM 0 HD12 ILE A 76 -3.887 8.339 -3.964 1.00 0.19 H new ATOM 0 HD13 ILE A 76 -4.860 6.888 -3.625 1.00 0.19 H new ATOM 1248 N ARG A 77 -2.405 3.924 -6.833 1.00 0.15 N ATOM 1249 CA ARG A 77 -2.647 2.524 -7.029 1.00 0.15 C ATOM 1250 C ARG A 77 -2.908 1.882 -5.700 1.00 0.14 C ATOM 1251 O ARG A 77 -2.869 2.541 -4.664 1.00 0.16 O ATOM 1252 CB ARG A 77 -1.484 1.841 -7.710 1.00 0.16 C ATOM 1253 CG ARG A 77 -0.153 2.125 -7.063 1.00 0.17 C ATOM 1254 CD ARG A 77 0.714 2.819 -8.079 1.00 0.28 C ATOM 1255 NE ARG A 77 2.043 3.174 -7.602 1.00 0.55 N ATOM 1256 CZ ARG A 77 2.768 4.148 -8.152 1.00 0.65 C ATOM 1257 NH1 ARG A 77 2.275 4.847 -9.174 1.00 0.96 N ATOM 1258 NH2 ARG A 77 3.978 4.423 -7.692 1.00 1.08 N ATOM 0 H ARG A 77 -1.809 4.143 -6.035 1.00 0.15 H new ATOM 0 HA ARG A 77 -3.515 2.415 -7.679 1.00 0.15 H new ATOM 0 HB2 ARG A 77 -1.656 0.765 -7.711 1.00 0.16 H new ATOM 0 HB3 ARG A 77 -1.447 2.158 -8.752 1.00 0.16 H new ATOM 0 HG2 ARG A 77 -0.283 2.751 -6.180 1.00 0.17 H new ATOM 0 HG3 ARG A 77 0.315 1.199 -6.730 1.00 0.17 H new ATOM 0 HD2 ARG A 77 0.816 2.173 -8.951 1.00 0.28 H new ATOM 0 HD3 ARG A 77 0.207 3.725 -8.411 1.00 0.28 H new ATOM 0 HE ARG A 77 2.435 2.657 -6.815 1.00 0.55 H new ATOM 0 HH11 ARG A 77 1.344 4.636 -9.534 1.00 0.96 H new ATOM 0 HH12 ARG A 77 2.828 5.593 -9.596 1.00 0.96 H new ATOM 0 HH21 ARG A 77 4.361 3.888 -6.912 1.00 1.08 H new ATOM 0 HH22 ARG A 77 4.528 5.170 -8.117 1.00 1.08 H new ATOM 1272 N VAL A 78 -3.141 0.596 -5.716 1.00 0.14 N ATOM 1273 CA VAL A 78 -3.560 -0.081 -4.517 1.00 0.15 C ATOM 1274 C VAL A 78 -2.784 -1.359 -4.343 1.00 0.16 C ATOM 1275 O VAL A 78 -2.294 -1.939 -5.301 1.00 0.31 O ATOM 1276 CB VAL A 78 -5.060 -0.438 -4.578 1.00 0.30 C ATOM 1277 CG1 VAL A 78 -5.742 -0.187 -3.249 1.00 0.79 C ATOM 1278 CG2 VAL A 78 -5.747 0.319 -5.701 1.00 0.43 C ATOM 0 H VAL A 78 -3.049 0.000 -6.539 1.00 0.14 H new ATOM 0 HA VAL A 78 -3.377 0.593 -3.680 1.00 0.15 H new ATOM 0 HB VAL A 78 -5.143 -1.504 -4.789 1.00 0.30 H new ATOM 0 HG11 VAL A 78 -6.797 -0.449 -3.326 1.00 0.79 H new ATOM 0 HG12 VAL A 78 -5.272 -0.798 -2.478 1.00 0.79 H new ATOM 0 HG13 VAL A 78 -5.648 0.866 -2.985 1.00 0.79 H new ATOM 0 HG21 VAL A 78 -6.804 0.053 -5.726 1.00 0.43 H new ATOM 0 HG22 VAL A 78 -5.647 1.391 -5.531 1.00 0.43 H new ATOM 0 HG23 VAL A 78 -5.284 0.057 -6.653 1.00 0.43 H new ATOM 1288 N ILE A 79 -2.660 -1.769 -3.118 1.00 0.10 N ATOM 1289 CA ILE A 79 -2.134 -3.066 -2.800 1.00 0.09 C ATOM 1290 C ILE A 79 -3.087 -3.713 -1.820 1.00 0.09 C ATOM 1291 O ILE A 79 -2.828 -3.779 -0.621 1.00 0.11 O ATOM 1292 CB ILE A 79 -0.724 -2.966 -2.191 1.00 0.11 C ATOM 1293 CG1 ILE A 79 0.241 -2.286 -3.171 1.00 0.15 C ATOM 1294 CG2 ILE A 79 -0.204 -4.337 -1.784 1.00 0.15 C ATOM 1295 CD1 ILE A 79 1.650 -2.142 -2.640 1.00 0.60 C ATOM 0 H ILE A 79 -2.922 -1.212 -2.304 1.00 0.10 H new ATOM 0 HA ILE A 79 -2.045 -3.663 -3.708 1.00 0.09 H new ATOM 0 HB ILE A 79 -0.788 -2.353 -1.292 1.00 0.11 H new ATOM 0 HG12 ILE A 79 0.269 -2.861 -4.097 1.00 0.15 H new ATOM 0 HG13 ILE A 79 -0.146 -1.298 -3.421 1.00 0.15 H new ATOM 0 HG21 ILE A 79 0.794 -4.236 -1.357 1.00 0.15 H new ATOM 0 HG22 ILE A 79 -0.873 -4.775 -1.043 1.00 0.15 H new ATOM 0 HG23 ILE A 79 -0.160 -4.984 -2.660 1.00 0.15 H new ATOM 0 HD11 ILE A 79 2.273 -1.653 -3.389 1.00 0.60 H new ATOM 0 HD12 ILE A 79 1.636 -1.541 -1.731 1.00 0.60 H new ATOM 0 HD13 ILE A 79 2.057 -3.128 -2.417 1.00 0.60 H new ATOM 1307 N ILE A 80 -4.241 -4.092 -2.326 1.00 0.09 N ATOM 1308 CA ILE A 80 -5.300 -4.585 -1.454 1.00 0.10 C ATOM 1309 C ILE A 80 -4.942 -5.932 -0.831 1.00 0.12 C ATOM 1310 O ILE A 80 -4.353 -6.801 -1.470 1.00 0.14 O ATOM 1311 CB ILE A 80 -6.698 -4.671 -2.139 1.00 0.12 C ATOM 1312 CG1 ILE A 80 -6.807 -5.901 -3.057 1.00 0.13 C ATOM 1313 CG2 ILE A 80 -6.974 -3.403 -2.938 1.00 0.12 C ATOM 1314 CD1 ILE A 80 -5.935 -5.832 -4.294 1.00 0.13 C ATOM 0 H ILE A 80 -4.474 -4.072 -3.319 1.00 0.09 H new ATOM 0 HA ILE A 80 -5.380 -3.835 -0.667 1.00 0.10 H new ATOM 0 HB ILE A 80 -7.444 -4.773 -1.351 1.00 0.12 H new ATOM 0 HG12 ILE A 80 -6.540 -6.791 -2.487 1.00 0.13 H new ATOM 0 HG13 ILE A 80 -7.846 -6.020 -3.365 1.00 0.13 H new ATOM 0 HG21 ILE A 80 -7.953 -3.477 -3.411 1.00 0.12 H new ATOM 0 HG22 ILE A 80 -6.957 -2.541 -2.270 1.00 0.12 H new ATOM 0 HG23 ILE A 80 -6.209 -3.282 -3.705 1.00 0.12 H new ATOM 0 HD11 ILE A 80 -6.071 -6.737 -4.886 1.00 0.13 H new ATOM 0 HD12 ILE A 80 -6.216 -4.963 -4.889 1.00 0.13 H new ATOM 0 HD13 ILE A 80 -4.890 -5.746 -3.998 1.00 0.13 H new ATOM 1326 N MET A 81 -5.284 -6.070 0.436 1.00 0.15 N ATOM 1327 CA MET A 81 -5.028 -7.300 1.181 1.00 0.21 C ATOM 1328 C MET A 81 -6.285 -8.156 1.242 1.00 0.20 C ATOM 1329 O MET A 81 -7.364 -7.660 1.557 1.00 0.36 O ATOM 1330 CB MET A 81 -4.551 -6.998 2.595 1.00 0.31 C ATOM 1331 CG MET A 81 -3.467 -5.934 2.659 1.00 0.43 C ATOM 1332 SD MET A 81 -2.256 -6.255 3.954 1.00 0.80 S ATOM 1333 CE MET A 81 -1.623 -7.852 3.451 1.00 1.88 C ATOM 0 H MET A 81 -5.745 -5.341 0.980 1.00 0.15 H new ATOM 0 HA MET A 81 -4.243 -7.846 0.657 1.00 0.21 H new ATOM 0 HB2 MET A 81 -5.402 -6.674 3.195 1.00 0.31 H new ATOM 0 HB3 MET A 81 -4.174 -7.916 3.046 1.00 0.31 H new ATOM 0 HG2 MET A 81 -2.958 -5.880 1.696 1.00 0.43 H new ATOM 0 HG3 MET A 81 -3.928 -4.961 2.831 1.00 0.43 H new ATOM 0 HE1 MET A 81 -0.575 -7.935 3.738 1.00 1.88 H new ATOM 0 HE2 MET A 81 -2.196 -8.641 3.939 1.00 1.88 H new ATOM 0 HE3 MET A 81 -1.712 -7.955 2.370 1.00 1.88 H new ATOM 1343 N THR A 82 -6.152 -9.436 0.933 1.00 0.25 N ATOM 1344 CA THR A 82 -7.309 -10.316 0.865 1.00 0.30 C ATOM 1345 C THR A 82 -7.097 -11.631 1.586 1.00 0.31 C ATOM 1346 O THR A 82 -5.964 -12.053 1.832 1.00 0.35 O ATOM 1347 CB THR A 82 -7.711 -10.577 -0.593 1.00 0.47 C ATOM 1348 OG1 THR A 82 -8.714 -11.604 -0.673 1.00 1.13 O ATOM 1349 CG2 THR A 82 -6.500 -10.953 -1.436 1.00 0.91 C ATOM 0 H THR A 82 -5.261 -9.887 0.726 1.00 0.25 H new ATOM 0 HA THR A 82 -8.117 -9.795 1.378 1.00 0.30 H new ATOM 0 HB THR A 82 -8.131 -9.653 -0.991 1.00 0.47 H new ATOM 0 HG1 THR A 82 -9.460 -11.379 -0.079 1.00 1.13 H new ATOM 0 HG21 THR A 82 -6.814 -11.132 -2.464 1.00 0.91 H new ATOM 0 HG22 THR A 82 -5.775 -10.139 -1.415 1.00 0.91 H new ATOM 0 HG23 THR A 82 -6.043 -11.857 -1.033 1.00 0.91 H new ATOM 1357 N ALA A 83 -8.210 -12.263 1.941 1.00 0.33 N ATOM 1358 CA ALA A 83 -8.199 -13.627 2.437 1.00 0.40 C ATOM 1359 C ALA A 83 -7.908 -14.591 1.288 1.00 0.45 C ATOM 1360 O ALA A 83 -8.767 -15.365 0.865 1.00 0.54 O ATOM 1361 CB ALA A 83 -9.522 -13.963 3.105 1.00 0.47 C ATOM 0 H ALA A 83 -9.139 -11.844 1.892 1.00 0.33 H new ATOM 0 HA ALA A 83 -7.413 -13.727 3.185 1.00 0.40 H new ATOM 0 HB1 ALA A 83 -9.495 -14.990 3.470 1.00 0.47 H new ATOM 0 HB2 ALA A 83 -9.690 -13.284 3.941 1.00 0.47 H new ATOM 0 HB3 ALA A 83 -10.332 -13.856 2.383 1.00 0.47 H new ATOM 1367 N TYR A 84 -6.693 -14.473 0.760 1.00 0.45 N ATOM 1368 CA TYR A 84 -6.174 -15.340 -0.297 1.00 0.55 C ATOM 1369 C TYR A 84 -6.833 -15.080 -1.647 1.00 0.56 C ATOM 1370 O TYR A 84 -6.706 -15.882 -2.570 1.00 0.77 O ATOM 1371 CB TYR A 84 -6.325 -16.825 0.060 1.00 0.69 C ATOM 1372 CG TYR A 84 -5.401 -17.314 1.150 1.00 1.26 C ATOM 1373 CD1 TYR A 84 -5.640 -17.011 2.482 1.00 2.03 C ATOM 1374 CD2 TYR A 84 -4.296 -18.095 0.842 1.00 1.92 C ATOM 1375 CE1 TYR A 84 -4.801 -17.470 3.475 1.00 2.97 C ATOM 1376 CE2 TYR A 84 -3.456 -18.561 1.831 1.00 2.83 C ATOM 1377 CZ TYR A 84 -3.712 -18.246 3.146 1.00 3.26 C ATOM 1378 OH TYR A 84 -2.877 -18.710 4.135 1.00 4.30 O ATOM 0 H TYR A 84 -6.028 -13.760 1.059 1.00 0.45 H new ATOM 0 HA TYR A 84 -5.115 -15.096 -0.381 1.00 0.55 H new ATOM 0 HB2 TYR A 84 -7.355 -17.007 0.368 1.00 0.69 H new ATOM 0 HB3 TYR A 84 -6.151 -17.419 -0.837 1.00 0.69 H new ATOM 0 HD1 TYR A 84 -6.496 -16.407 2.745 1.00 2.03 H new ATOM 0 HD2 TYR A 84 -4.091 -18.342 -0.189 1.00 1.92 H new ATOM 0 HE1 TYR A 84 -4.997 -17.222 4.508 1.00 2.97 H new ATOM 0 HE2 TYR A 84 -2.602 -19.170 1.575 1.00 2.83 H new ATOM 0 HH TYR A 84 -2.159 -19.243 3.734 1.00 4.30 H new ATOM 1388 N GLY A 85 -7.515 -13.958 -1.773 1.00 0.52 N ATOM 1389 CA GLY A 85 -8.159 -13.633 -3.023 1.00 0.56 C ATOM 1390 C GLY A 85 -9.524 -14.257 -3.119 1.00 0.55 C ATOM 1391 O GLY A 85 -9.711 -15.299 -3.745 1.00 0.62 O ATOM 0 H GLY A 85 -7.635 -13.266 -1.033 1.00 0.52 H new ATOM 0 HA2 GLY A 85 -8.245 -12.551 -3.118 1.00 0.56 H new ATOM 0 HA3 GLY A 85 -7.541 -13.978 -3.852 1.00 0.56 H new ATOM 1395 N GLU A 86 -10.467 -13.611 -2.471 1.00 0.55 N ATOM 1396 CA GLU A 86 -11.857 -14.039 -2.425 1.00 0.62 C ATOM 1397 C GLU A 86 -12.589 -13.734 -3.741 1.00 0.68 C ATOM 1398 O GLU A 86 -13.815 -13.777 -3.809 1.00 1.05 O ATOM 1399 CB GLU A 86 -12.485 -13.323 -1.235 1.00 0.72 C ATOM 1400 CG GLU A 86 -11.589 -13.429 -0.012 1.00 0.74 C ATOM 1401 CD GLU A 86 -11.748 -12.296 0.975 1.00 1.04 C ATOM 1402 OE1 GLU A 86 -12.730 -12.303 1.746 1.00 1.33 O ATOM 1403 OE2 GLU A 86 -10.855 -11.416 1.005 1.00 1.17 O ATOM 0 H GLU A 86 -10.290 -12.753 -1.948 1.00 0.55 H new ATOM 0 HA GLU A 86 -11.932 -15.120 -2.304 1.00 0.62 H new ATOM 0 HB2 GLU A 86 -12.651 -12.274 -1.481 1.00 0.72 H new ATOM 0 HB3 GLU A 86 -13.461 -13.757 -1.016 1.00 0.72 H new ATOM 0 HG2 GLU A 86 -11.798 -14.370 0.496 1.00 0.74 H new ATOM 0 HG3 GLU A 86 -10.550 -13.467 -0.339 1.00 0.74 H new ATOM 1410 N LEU A 87 -11.800 -13.439 -4.777 1.00 0.71 N ATOM 1411 CA LEU A 87 -12.292 -13.197 -6.139 1.00 0.73 C ATOM 1412 C LEU A 87 -13.277 -12.035 -6.236 1.00 0.74 C ATOM 1413 O LEU A 87 -13.438 -11.254 -5.296 1.00 0.72 O ATOM 1414 CB LEU A 87 -12.900 -14.470 -6.732 1.00 0.85 C ATOM 1415 CG LEU A 87 -11.872 -15.529 -7.134 1.00 1.14 C ATOM 1416 CD1 LEU A 87 -12.545 -16.696 -7.839 1.00 1.48 C ATOM 1417 CD2 LEU A 87 -10.799 -14.909 -8.024 1.00 1.73 C ATOM 0 H LEU A 87 -10.786 -13.360 -4.694 1.00 0.71 H new ATOM 0 HA LEU A 87 -11.421 -12.907 -6.726 1.00 0.73 H new ATOM 0 HB2 LEU A 87 -13.586 -14.904 -6.005 1.00 0.85 H new ATOM 0 HB3 LEU A 87 -13.491 -14.203 -7.608 1.00 0.85 H new ATOM 0 HG LEU A 87 -11.398 -15.911 -6.230 1.00 1.14 H new ATOM 0 HD11 LEU A 87 -11.794 -17.436 -8.115 1.00 1.48 H new ATOM 0 HD12 LEU A 87 -13.276 -17.152 -7.171 1.00 1.48 H new ATOM 0 HD13 LEU A 87 -13.048 -16.337 -8.737 1.00 1.48 H new ATOM 0 HD21 LEU A 87 -10.073 -15.672 -8.304 1.00 1.73 H new ATOM 0 HD22 LEU A 87 -11.262 -14.502 -8.923 1.00 1.73 H new ATOM 0 HD23 LEU A 87 -10.294 -14.109 -7.482 1.00 1.73 H new ATOM 1429 N ASP A 88 -13.890 -11.918 -7.415 1.00 0.80 N ATOM 1430 CA ASP A 88 -14.809 -10.827 -7.752 1.00 0.85 C ATOM 1431 C ASP A 88 -14.116 -9.473 -7.625 1.00 0.74 C ATOM 1432 O ASP A 88 -13.436 -9.032 -8.551 1.00 0.67 O ATOM 1433 CB ASP A 88 -16.071 -10.866 -6.884 1.00 1.01 C ATOM 1434 CG ASP A 88 -17.201 -10.031 -7.460 1.00 1.03 C ATOM 1435 OD1 ASP A 88 -17.055 -8.797 -7.560 1.00 1.38 O ATOM 1436 OD2 ASP A 88 -18.245 -10.616 -7.820 1.00 1.38 O ATOM 0 H ASP A 88 -13.761 -12.587 -8.174 1.00 0.80 H new ATOM 0 HA ASP A 88 -15.113 -10.965 -8.790 1.00 0.85 H new ATOM 0 HB2 ASP A 88 -16.404 -11.899 -6.779 1.00 1.01 H new ATOM 0 HB3 ASP A 88 -15.831 -10.506 -5.884 1.00 1.01 H new ATOM 1441 N MET A 89 -14.264 -8.837 -6.469 1.00 0.76 N ATOM 1442 CA MET A 89 -13.583 -7.583 -6.181 1.00 0.73 C ATOM 1443 C MET A 89 -12.076 -7.794 -6.148 1.00 0.57 C ATOM 1444 O MET A 89 -11.310 -6.855 -6.261 1.00 0.53 O ATOM 1445 CB MET A 89 -14.043 -6.997 -4.841 1.00 0.87 C ATOM 1446 CG MET A 89 -15.546 -6.795 -4.721 1.00 1.58 C ATOM 1447 SD MET A 89 -16.425 -8.320 -4.317 1.00 1.63 S ATOM 1448 CE MET A 89 -15.698 -8.717 -2.725 1.00 2.72 C ATOM 0 H MET A 89 -14.856 -9.174 -5.710 1.00 0.76 H new ATOM 0 HA MET A 89 -13.836 -6.880 -6.975 1.00 0.73 H new ATOM 0 HB2 MET A 89 -13.713 -7.657 -4.038 1.00 0.87 H new ATOM 0 HB3 MET A 89 -13.547 -6.038 -4.689 1.00 0.87 H new ATOM 0 HG2 MET A 89 -15.748 -6.050 -3.952 1.00 1.58 H new ATOM 0 HG3 MET A 89 -15.931 -6.397 -5.660 1.00 1.58 H new ATOM 0 HE1 MET A 89 -16.438 -9.220 -2.102 1.00 2.72 H new ATOM 0 HE2 MET A 89 -14.840 -9.373 -2.870 1.00 2.72 H new ATOM 0 HE3 MET A 89 -15.374 -7.799 -2.234 1.00 2.72 H new ATOM 1458 N ILE A 90 -11.662 -9.040 -5.971 1.00 0.53 N ATOM 1459 CA ILE A 90 -10.247 -9.399 -5.998 1.00 0.45 C ATOM 1460 C ILE A 90 -9.726 -9.419 -7.431 1.00 0.42 C ATOM 1461 O ILE A 90 -8.530 -9.282 -7.684 1.00 0.51 O ATOM 1462 CB ILE A 90 -10.040 -10.773 -5.345 1.00 0.48 C ATOM 1463 CG1 ILE A 90 -10.492 -10.717 -3.886 1.00 0.58 C ATOM 1464 CG2 ILE A 90 -8.586 -11.225 -5.445 1.00 0.49 C ATOM 1465 CD1 ILE A 90 -9.664 -9.787 -3.040 1.00 0.67 C ATOM 0 H ILE A 90 -12.290 -9.827 -5.806 1.00 0.53 H new ATOM 0 HA ILE A 90 -9.689 -8.649 -5.437 1.00 0.45 H new ATOM 0 HB ILE A 90 -10.643 -11.506 -5.880 1.00 0.48 H new ATOM 0 HG12 ILE A 90 -11.534 -10.400 -3.848 1.00 0.58 H new ATOM 0 HG13 ILE A 90 -10.448 -11.720 -3.461 1.00 0.58 H new ATOM 0 HG21 ILE A 90 -8.475 -12.201 -4.973 1.00 0.49 H new ATOM 0 HG22 ILE A 90 -8.298 -11.294 -6.494 1.00 0.49 H new ATOM 0 HG23 ILE A 90 -7.945 -10.503 -4.940 1.00 0.49 H new ATOM 0 HD11 ILE A 90 -10.039 -9.795 -2.017 1.00 0.67 H new ATOM 0 HD12 ILE A 90 -8.625 -10.116 -3.048 1.00 0.67 H new ATOM 0 HD13 ILE A 90 -9.728 -8.776 -3.442 1.00 0.67 H new ATOM 1477 N GLN A 91 -10.633 -9.604 -8.364 1.00 0.48 N ATOM 1478 CA GLN A 91 -10.305 -9.486 -9.768 1.00 0.52 C ATOM 1479 C GLN A 91 -10.343 -8.011 -10.138 1.00 0.44 C ATOM 1480 O GLN A 91 -9.402 -7.460 -10.718 1.00 0.40 O ATOM 1481 CB GLN A 91 -11.307 -10.281 -10.600 1.00 0.67 C ATOM 1482 CG GLN A 91 -11.475 -11.703 -10.102 1.00 0.79 C ATOM 1483 CD GLN A 91 -12.645 -12.431 -10.733 1.00 1.78 C ATOM 1484 OE1 GLN A 91 -12.613 -13.650 -10.893 1.00 2.50 O ATOM 1485 NE2 GLN A 91 -13.691 -11.697 -11.080 1.00 2.49 N ATOM 0 H GLN A 91 -11.608 -9.838 -8.175 1.00 0.48 H new ATOM 0 HA GLN A 91 -9.311 -9.887 -9.967 1.00 0.52 H new ATOM 0 HB2 GLN A 91 -12.273 -9.776 -10.580 1.00 0.67 H new ATOM 0 HB3 GLN A 91 -10.978 -10.300 -11.639 1.00 0.67 H new ATOM 0 HG2 GLN A 91 -10.560 -12.260 -10.303 1.00 0.79 H new ATOM 0 HG3 GLN A 91 -11.608 -11.687 -9.020 1.00 0.79 H new ATOM 0 HE21 GLN A 91 -13.678 -10.688 -10.931 1.00 2.49 H new ATOM 0 HE22 GLN A 91 -14.510 -12.141 -11.497 1.00 2.49 H new ATOM 1494 N GLU A 92 -11.439 -7.384 -9.723 1.00 0.47 N ATOM 1495 CA GLU A 92 -11.715 -5.984 -9.982 1.00 0.46 C ATOM 1496 C GLU A 92 -10.688 -5.061 -9.320 1.00 0.37 C ATOM 1497 O GLU A 92 -10.408 -3.991 -9.832 1.00 0.37 O ATOM 1498 CB GLU A 92 -13.118 -5.673 -9.476 1.00 0.58 C ATOM 1499 CG GLU A 92 -13.470 -4.196 -9.485 1.00 0.65 C ATOM 1500 CD GLU A 92 -14.883 -3.909 -9.005 1.00 0.83 C ATOM 1501 OE1 GLU A 92 -15.810 -4.674 -9.366 1.00 0.94 O ATOM 1502 OE2 GLU A 92 -15.077 -2.918 -8.266 1.00 1.27 O ATOM 0 H GLU A 92 -12.172 -7.848 -9.187 1.00 0.47 H new ATOM 0 HA GLU A 92 -11.647 -5.804 -11.055 1.00 0.46 H new ATOM 0 HB2 GLU A 92 -13.841 -6.211 -10.089 1.00 0.58 H new ATOM 0 HB3 GLU A 92 -13.218 -6.053 -8.459 1.00 0.58 H new ATOM 0 HG2 GLU A 92 -12.763 -3.658 -8.853 1.00 0.65 H new ATOM 0 HG3 GLU A 92 -13.352 -3.808 -10.497 1.00 0.65 H new ATOM 1509 N SER A 93 -10.135 -5.482 -8.189 1.00 0.34 N ATOM 1510 CA SER A 93 -9.155 -4.699 -7.455 1.00 0.34 C ATOM 1511 C SER A 93 -7.988 -4.278 -8.326 1.00 0.33 C ATOM 1512 O SER A 93 -7.861 -3.120 -8.739 1.00 0.32 O ATOM 1513 CB SER A 93 -8.622 -5.554 -6.321 1.00 0.43 C ATOM 1514 OG SER A 93 -8.227 -6.831 -6.777 1.00 1.28 O ATOM 0 H SER A 93 -10.356 -6.379 -7.756 1.00 0.34 H new ATOM 0 HA SER A 93 -9.645 -3.796 -7.091 1.00 0.34 H new ATOM 0 HB2 SER A 93 -7.773 -5.054 -5.855 1.00 0.43 H new ATOM 0 HB3 SER A 93 -9.389 -5.662 -5.554 1.00 0.43 H new ATOM 0 HG SER A 93 -7.887 -7.357 -6.023 1.00 1.28 H new ATOM 1520 N LYS A 94 -7.125 -5.244 -8.549 1.00 0.33 N ATOM 1521 CA LYS A 94 -5.979 -5.102 -9.422 1.00 0.34 C ATOM 1522 C LYS A 94 -6.397 -4.550 -10.776 1.00 0.32 C ATOM 1523 O LYS A 94 -5.725 -3.692 -11.349 1.00 0.33 O ATOM 1524 CB LYS A 94 -5.295 -6.452 -9.591 1.00 0.36 C ATOM 1525 CG LYS A 94 -6.264 -7.623 -9.667 1.00 0.37 C ATOM 1526 CD LYS A 94 -5.540 -8.951 -9.761 1.00 0.43 C ATOM 1527 CE LYS A 94 -4.749 -9.236 -8.505 1.00 1.37 C ATOM 1528 NZ LYS A 94 -4.092 -10.568 -8.549 1.00 1.91 N ATOM 0 H LYS A 94 -7.200 -6.167 -8.122 1.00 0.33 H new ATOM 0 HA LYS A 94 -5.280 -4.398 -8.971 1.00 0.34 H new ATOM 0 HB2 LYS A 94 -4.691 -6.432 -10.498 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -4.612 -6.610 -8.756 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -6.906 -7.621 -8.786 1.00 0.37 H new ATOM 0 HG3 LYS A 94 -6.913 -7.501 -10.534 1.00 0.37 H new ATOM 0 HD2 LYS A 94 -6.262 -9.750 -9.928 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.870 -8.942 -10.621 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -3.992 -8.463 -8.370 1.00 1.37 H new ATOM 0 HE3 LYS A 94 -5.412 -9.187 -7.641 1.00 1.37 H new ATOM 0 HZ1 LYS A 94 -3.561 -10.722 -7.668 1.00 1.91 H new ATOM 0 HZ2 LYS A 94 -4.815 -11.309 -8.651 1.00 1.91 H new ATOM 0 HZ3 LYS A 94 -3.440 -10.607 -9.358 1.00 1.91 H new ATOM 1542 N GLU A 95 -7.522 -5.045 -11.268 1.00 0.33 N ATOM 1543 CA GLU A 95 -8.108 -4.569 -12.507 1.00 0.35 C ATOM 1544 C GLU A 95 -8.324 -3.052 -12.483 1.00 0.31 C ATOM 1545 O GLU A 95 -7.983 -2.351 -13.436 1.00 0.37 O ATOM 1546 CB GLU A 95 -9.429 -5.304 -12.719 1.00 0.49 C ATOM 1547 CG GLU A 95 -10.405 -4.607 -13.633 1.00 0.56 C ATOM 1548 CD GLU A 95 -9.985 -4.629 -15.090 1.00 1.32 C ATOM 1549 OE1 GLU A 95 -10.189 -5.663 -15.756 1.00 1.84 O ATOM 1550 OE2 GLU A 95 -9.446 -3.615 -15.577 1.00 1.72 O ATOM 0 H GLU A 95 -8.054 -5.789 -10.817 1.00 0.33 H new ATOM 0 HA GLU A 95 -7.427 -4.773 -13.333 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -9.216 -6.293 -13.125 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -9.905 -5.453 -11.750 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -11.383 -5.079 -13.537 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -10.518 -3.572 -13.311 1.00 0.56 H new ATOM 1557 N LEU A 96 -8.853 -2.551 -11.378 1.00 0.28 N ATOM 1558 CA LEU A 96 -9.277 -1.163 -11.287 1.00 0.28 C ATOM 1559 C LEU A 96 -8.109 -0.234 -10.973 1.00 0.28 C ATOM 1560 O LEU A 96 -8.215 0.982 -11.136 1.00 0.47 O ATOM 1561 CB LEU A 96 -10.355 -1.023 -10.217 1.00 0.34 C ATOM 1562 CG LEU A 96 -11.280 0.180 -10.377 1.00 0.55 C ATOM 1563 CD1 LEU A 96 -12.124 0.038 -11.631 1.00 1.16 C ATOM 1564 CD2 LEU A 96 -12.165 0.321 -9.157 1.00 1.25 C ATOM 0 H LEU A 96 -9.000 -3.090 -10.525 1.00 0.28 H new ATOM 0 HA LEU A 96 -9.680 -0.872 -12.257 1.00 0.28 H new ATOM 0 HB2 LEU A 96 -10.961 -1.929 -10.215 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -9.871 -0.961 -9.243 1.00 0.34 H new ATOM 0 HG LEU A 96 -10.671 1.079 -10.474 1.00 0.55 H new ATOM 0 HD11 LEU A 96 -12.778 0.905 -11.730 1.00 1.16 H new ATOM 0 HD12 LEU A 96 -11.473 -0.026 -12.503 1.00 1.16 H new ATOM 0 HD13 LEU A 96 -12.728 -0.867 -11.562 1.00 1.16 H new ATOM 0 HD21 LEU A 96 -12.821 1.182 -9.281 1.00 1.25 H new ATOM 0 HD22 LEU A 96 -12.767 -0.580 -9.038 1.00 1.25 H new ATOM 0 HD23 LEU A 96 -11.545 0.462 -8.272 1.00 1.25 H new ATOM 1576 N GLY A 97 -7.000 -0.797 -10.515 1.00 0.20 N ATOM 1577 CA GLY A 97 -5.837 0.026 -10.241 1.00 0.21 C ATOM 1578 C GLY A 97 -4.962 -0.498 -9.115 1.00 0.20 C ATOM 1579 O GLY A 97 -3.978 0.143 -8.750 1.00 0.35 O ATOM 0 H GLY A 97 -6.883 -1.793 -10.330 1.00 0.20 H new ATOM 0 HA2 GLY A 97 -5.237 0.103 -11.148 1.00 0.21 H new ATOM 0 HA3 GLY A 97 -6.168 1.034 -9.991 1.00 0.21 H new ATOM 1583 N ALA A 98 -5.313 -1.638 -8.532 1.00 0.15 N ATOM 1584 CA ALA A 98 -4.445 -2.255 -7.541 1.00 0.13 C ATOM 1585 C ALA A 98 -3.330 -3.025 -8.240 1.00 0.14 C ATOM 1586 O ALA A 98 -3.558 -3.687 -9.247 1.00 0.21 O ATOM 1587 CB ALA A 98 -5.236 -3.160 -6.595 1.00 0.17 C ATOM 0 H ALA A 98 -6.177 -2.145 -8.724 1.00 0.15 H new ATOM 0 HA ALA A 98 -3.998 -1.469 -6.932 1.00 0.13 H new ATOM 0 HB1 ALA A 98 -4.559 -3.606 -5.867 1.00 0.17 H new ATOM 0 HB2 ALA A 98 -5.991 -2.571 -6.075 1.00 0.17 H new ATOM 0 HB3 ALA A 98 -5.723 -3.949 -7.168 1.00 0.17 H new ATOM 1593 N LEU A 99 -2.121 -2.905 -7.731 1.00 0.15 N ATOM 1594 CA LEU A 99 -0.995 -3.618 -8.293 1.00 0.16 C ATOM 1595 C LEU A 99 -1.058 -5.063 -7.874 1.00 0.15 C ATOM 1596 O LEU A 99 -0.940 -5.980 -8.685 1.00 0.17 O ATOM 1597 CB LEU A 99 0.305 -3.050 -7.761 1.00 0.18 C ATOM 1598 CG LEU A 99 0.353 -1.536 -7.650 1.00 0.17 C ATOM 1599 CD1 LEU A 99 1.543 -1.111 -6.808 1.00 0.17 C ATOM 1600 CD2 LEU A 99 0.418 -0.900 -9.031 1.00 0.18 C ATOM 0 H LEU A 99 -1.894 -2.319 -6.928 1.00 0.15 H new ATOM 0 HA LEU A 99 -1.035 -3.520 -9.378 1.00 0.16 H new ATOM 0 HB2 LEU A 99 0.493 -3.476 -6.776 1.00 0.18 H new ATOM 0 HB3 LEU A 99 1.118 -3.377 -8.410 1.00 0.18 H new ATOM 0 HG LEU A 99 -0.559 -1.193 -7.161 1.00 0.17 H new ATOM 0 HD11 LEU A 99 1.567 -0.024 -6.735 1.00 0.17 H new ATOM 0 HD12 LEU A 99 1.454 -1.540 -5.810 1.00 0.17 H new ATOM 0 HD13 LEU A 99 2.463 -1.464 -7.274 1.00 0.17 H new ATOM 0 HD21 LEU A 99 0.452 0.185 -8.931 1.00 0.18 H new ATOM 0 HD22 LEU A 99 1.313 -1.245 -9.549 1.00 0.18 H new ATOM 0 HD23 LEU A 99 -0.464 -1.184 -9.604 1.00 0.18 H new ATOM 1612 N THR A 100 -1.261 -5.247 -6.585 1.00 0.14 N ATOM 1613 CA THR A 100 -1.172 -6.556 -5.990 1.00 0.14 C ATOM 1614 C THR A 100 -2.267 -6.788 -4.959 1.00 0.15 C ATOM 1615 O THR A 100 -2.742 -5.852 -4.318 1.00 0.13 O ATOM 1616 CB THR A 100 0.190 -6.726 -5.307 1.00 0.16 C ATOM 1617 OG1 THR A 100 0.388 -5.647 -4.386 1.00 0.19 O ATOM 1618 CG2 THR A 100 1.324 -6.737 -6.322 1.00 0.16 C ATOM 0 H THR A 100 -1.490 -4.499 -5.930 1.00 0.14 H new ATOM 0 HA THR A 100 -1.293 -7.285 -6.792 1.00 0.14 H new ATOM 0 HB THR A 100 0.196 -7.682 -4.783 1.00 0.16 H new ATOM 0 HG1 THR A 100 1.009 -5.928 -3.682 1.00 0.19 H new ATOM 0 HG21 THR A 100 2.275 -6.859 -5.804 1.00 0.16 H new ATOM 0 HG22 THR A 100 1.181 -7.564 -7.018 1.00 0.16 H new ATOM 0 HG23 THR A 100 1.329 -5.796 -6.872 1.00 0.16 H new ATOM 1626 N ALA A 101 -2.646 -8.049 -4.818 1.00 0.26 N ATOM 1627 CA ALA A 101 -3.569 -8.474 -3.785 1.00 0.27 C ATOM 1628 C ALA A 101 -2.855 -9.397 -2.805 1.00 0.36 C ATOM 1629 O ALA A 101 -3.122 -10.599 -2.764 1.00 0.52 O ATOM 1630 CB ALA A 101 -4.775 -9.175 -4.399 1.00 0.36 C ATOM 0 H ALA A 101 -2.320 -8.805 -5.419 1.00 0.26 H new ATOM 0 HA ALA A 101 -3.926 -7.596 -3.247 1.00 0.27 H new ATOM 0 HB1 ALA A 101 -5.457 -9.487 -3.608 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -5.290 -8.490 -5.073 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -4.442 -10.050 -4.957 1.00 0.36 H new ATOM 1636 N PHE A 102 -1.914 -8.834 -2.054 1.00 0.41 N ATOM 1637 CA PHE A 102 -1.154 -9.597 -1.068 1.00 0.58 C ATOM 1638 C PHE A 102 -2.078 -10.151 0.006 1.00 0.39 C ATOM 1639 O PHE A 102 -2.910 -9.435 0.561 1.00 0.46 O ATOM 1640 CB PHE A 102 -0.061 -8.735 -0.435 1.00 0.92 C ATOM 1641 CG PHE A 102 1.133 -8.535 -1.326 1.00 1.68 C ATOM 1642 CD1 PHE A 102 1.914 -9.608 -1.719 1.00 2.38 C ATOM 1643 CD2 PHE A 102 1.470 -7.269 -1.777 1.00 2.35 C ATOM 1644 CE1 PHE A 102 3.009 -9.424 -2.543 1.00 3.38 C ATOM 1645 CE2 PHE A 102 2.562 -7.078 -2.601 1.00 3.44 C ATOM 1646 CZ PHE A 102 3.349 -8.175 -2.965 1.00 3.86 C ATOM 0 H PHE A 102 -1.658 -7.848 -2.109 1.00 0.41 H new ATOM 0 HA PHE A 102 -0.677 -10.431 -1.582 1.00 0.58 H new ATOM 0 HB2 PHE A 102 -0.480 -7.762 -0.177 1.00 0.92 H new ATOM 0 HB3 PHE A 102 0.264 -9.199 0.496 1.00 0.92 H new ATOM 0 HD1 PHE A 102 1.665 -10.602 -1.378 1.00 2.38 H new ATOM 0 HD2 PHE A 102 0.871 -6.421 -1.480 1.00 2.35 H new ATOM 0 HE1 PHE A 102 3.597 -10.275 -2.853 1.00 3.38 H new ATOM 0 HE2 PHE A 102 2.806 -6.089 -2.961 1.00 3.44 H new ATOM 0 HZ PHE A 102 4.225 -8.032 -3.580 1.00 3.86 H new ATOM 1656 N ALA A 103 -1.948 -11.436 0.276 1.00 0.40 N ATOM 1657 CA ALA A 103 -2.788 -12.093 1.254 1.00 0.44 C ATOM 1658 C ALA A 103 -2.038 -12.295 2.563 1.00 0.65 C ATOM 1659 O ALA A 103 -0.973 -11.715 2.765 1.00 0.76 O ATOM 1660 CB ALA A 103 -3.267 -13.420 0.695 1.00 0.57 C ATOM 0 H ALA A 103 -1.265 -12.047 -0.172 1.00 0.40 H new ATOM 0 HA ALA A 103 -3.652 -11.462 1.464 1.00 0.44 H new ATOM 0 HB1 ALA A 103 -3.900 -13.917 1.430 1.00 0.57 H new ATOM 0 HB2 ALA A 103 -3.838 -13.246 -0.217 1.00 0.57 H new ATOM 0 HB3 ALA A 103 -2.408 -14.052 0.470 1.00 0.57 H new ATOM 1666 N LYS A 104 -2.604 -13.118 3.445 1.00 0.84 N ATOM 1667 CA LYS A 104 -1.969 -13.437 4.723 1.00 1.12 C ATOM 1668 C LYS A 104 -0.554 -13.997 4.539 1.00 1.08 C ATOM 1669 O LYS A 104 0.344 -13.636 5.295 1.00 1.13 O ATOM 1670 CB LYS A 104 -2.817 -14.419 5.532 1.00 1.55 C ATOM 1671 CG LYS A 104 -4.196 -13.890 5.891 1.00 1.83 C ATOM 1672 CD LYS A 104 -4.832 -14.708 7.005 1.00 2.48 C ATOM 1673 CE LYS A 104 -4.924 -16.184 6.647 1.00 2.95 C ATOM 1674 NZ LYS A 104 -5.493 -16.987 7.759 1.00 3.35 N ATOM 0 H LYS A 104 -3.503 -13.577 3.297 1.00 0.84 H new ATOM 0 HA LYS A 104 -1.891 -12.500 5.275 1.00 1.12 H new ATOM 0 HB2 LYS A 104 -2.929 -15.342 4.963 1.00 1.55 H new ATOM 0 HB3 LYS A 104 -2.286 -14.673 6.449 1.00 1.55 H new ATOM 0 HG2 LYS A 104 -4.118 -12.848 6.202 1.00 1.83 H new ATOM 0 HG3 LYS A 104 -4.837 -13.913 5.010 1.00 1.83 H new ATOM 0 HD2 LYS A 104 -4.248 -14.592 7.918 1.00 2.48 H new ATOM 0 HD3 LYS A 104 -5.830 -14.323 7.213 1.00 2.48 H new ATOM 0 HE2 LYS A 104 -5.543 -16.304 5.758 1.00 2.95 H new ATOM 0 HE3 LYS A 104 -3.932 -16.560 6.398 1.00 2.95 H new ATOM 0 HZ1 LYS A 104 -5.540 -17.987 7.477 1.00 3.35 H new ATOM 0 HZ2 LYS A 104 -4.889 -16.892 8.600 1.00 3.35 H new ATOM 0 HZ3 LYS A 104 -6.450 -16.645 7.980 1.00 3.35 H new ATOM 1688 N PRO A 105 -0.316 -14.910 3.571 1.00 1.09 N ATOM 1689 CA PRO A 105 1.045 -15.327 3.256 1.00 1.13 C ATOM 1690 C PRO A 105 1.819 -14.209 2.566 1.00 0.95 C ATOM 1691 O PRO A 105 1.697 -13.996 1.356 1.00 0.91 O ATOM 1692 CB PRO A 105 0.858 -16.519 2.313 1.00 1.28 C ATOM 1693 CG PRO A 105 -0.484 -16.312 1.703 1.00 1.36 C ATOM 1694 CD PRO A 105 -1.313 -15.630 2.754 1.00 1.17 C ATOM 0 HA PRO A 105 1.619 -15.579 4.148 1.00 1.13 H new ATOM 0 HB2 PRO A 105 1.638 -16.548 1.552 1.00 1.28 H new ATOM 0 HB3 PRO A 105 0.905 -17.464 2.855 1.00 1.28 H new ATOM 0 HG2 PRO A 105 -0.414 -15.701 0.803 1.00 1.36 H new ATOM 0 HG3 PRO A 105 -0.930 -17.262 1.409 1.00 1.36 H new ATOM 0 HD2 PRO A 105 -2.038 -14.946 2.312 1.00 1.17 H new ATOM 0 HD3 PRO A 105 -1.875 -16.349 3.350 1.00 1.17 H new ATOM 1702 N PHE A 106 2.595 -13.482 3.348 1.00 0.92 N ATOM 1703 CA PHE A 106 3.419 -12.418 2.811 1.00 0.81 C ATOM 1704 C PHE A 106 4.837 -12.539 3.342 1.00 0.81 C ATOM 1705 O PHE A 106 5.056 -12.795 4.527 1.00 0.86 O ATOM 1706 CB PHE A 106 2.828 -11.033 3.129 1.00 0.76 C ATOM 1707 CG PHE A 106 2.831 -10.657 4.588 1.00 0.80 C ATOM 1708 CD1 PHE A 106 1.810 -11.078 5.426 1.00 0.98 C ATOM 1709 CD2 PHE A 106 3.854 -9.892 5.122 1.00 0.76 C ATOM 1710 CE1 PHE A 106 1.811 -10.741 6.766 1.00 1.10 C ATOM 1711 CE2 PHE A 106 3.861 -9.551 6.460 1.00 0.85 C ATOM 1712 CZ PHE A 106 2.832 -9.949 7.276 1.00 1.02 C ATOM 0 H PHE A 106 2.671 -13.610 4.357 1.00 0.92 H new ATOM 0 HA PHE A 106 3.441 -12.519 1.726 1.00 0.81 H new ATOM 0 HB2 PHE A 106 3.388 -10.280 2.574 1.00 0.76 H new ATOM 0 HB3 PHE A 106 1.802 -11.000 2.763 1.00 0.76 H new ATOM 0 HD1 PHE A 106 1.004 -11.676 5.027 1.00 0.98 H new ATOM 0 HD2 PHE A 106 4.658 -9.557 4.483 1.00 0.76 H new ATOM 0 HE1 PHE A 106 1.021 -11.092 7.414 1.00 1.10 H new ATOM 0 HE2 PHE A 106 4.677 -8.971 6.865 1.00 0.85 H new ATOM 0 HZ PHE A 106 2.816 -9.647 8.313 1.00 1.02 H new ATOM 1722 N ASP A 107 5.797 -12.356 2.457 1.00 0.79 N ATOM 1723 CA ASP A 107 7.203 -12.501 2.801 1.00 0.82 C ATOM 1724 C ASP A 107 7.753 -11.219 3.396 1.00 0.73 C ATOM 1725 O ASP A 107 8.965 -11.086 3.520 1.00 0.72 O ATOM 1726 CB ASP A 107 8.003 -12.849 1.552 1.00 0.88 C ATOM 1727 CG ASP A 107 9.131 -13.824 1.824 1.00 1.35 C ATOM 1728 OD1 ASP A 107 8.876 -14.877 2.444 1.00 1.63 O ATOM 1729 OD2 ASP A 107 10.282 -13.532 1.444 1.00 1.77 O ATOM 0 H ASP A 107 5.629 -12.104 1.483 1.00 0.79 H new ATOM 0 HA ASP A 107 7.291 -13.298 3.539 1.00 0.82 H new ATOM 0 HB2 ASP A 107 7.333 -13.276 0.805 1.00 0.88 H new ATOM 0 HB3 ASP A 107 8.415 -11.935 1.125 1.00 0.88 H new ATOM 1734 N ILE A 108 6.832 -10.315 3.779 1.00 0.73 N ATOM 1735 CA ILE A 108 7.119 -8.928 4.208 1.00 0.71 C ATOM 1736 C ILE A 108 8.020 -8.183 3.210 1.00 0.66 C ATOM 1737 O ILE A 108 7.582 -7.224 2.561 1.00 0.63 O ATOM 1738 CB ILE A 108 7.664 -8.805 5.677 1.00 0.77 C ATOM 1739 CG1 ILE A 108 7.949 -7.334 6.018 1.00 0.67 C ATOM 1740 CG2 ILE A 108 8.904 -9.653 5.940 1.00 1.33 C ATOM 1741 CD1 ILE A 108 8.633 -7.142 7.356 1.00 1.39 C ATOM 0 H ILE A 108 5.836 -10.534 3.800 1.00 0.73 H new ATOM 0 HA ILE A 108 6.147 -8.436 4.214 1.00 0.71 H new ATOM 0 HB ILE A 108 6.880 -9.194 6.327 1.00 0.77 H new ATOM 0 HG12 ILE A 108 8.573 -6.903 5.235 1.00 0.67 H new ATOM 0 HG13 ILE A 108 7.010 -6.781 6.017 1.00 0.67 H new ATOM 0 HG21 ILE A 108 9.224 -9.519 6.973 1.00 1.33 H new ATOM 0 HG22 ILE A 108 8.670 -10.703 5.766 1.00 1.33 H new ATOM 0 HG23 ILE A 108 9.705 -9.344 5.269 1.00 1.33 H new ATOM 0 HD11 ILE A 108 8.802 -6.079 7.529 1.00 1.39 H new ATOM 0 HD12 ILE A 108 8.001 -7.542 8.149 1.00 1.39 H new ATOM 0 HD13 ILE A 108 9.589 -7.666 7.355 1.00 1.39 H new ATOM 1753 N ASP A 109 9.243 -8.651 3.048 1.00 0.68 N ATOM 1754 CA ASP A 109 10.197 -8.018 2.161 1.00 0.67 C ATOM 1755 C ASP A 109 9.732 -8.116 0.713 1.00 0.62 C ATOM 1756 O ASP A 109 10.119 -7.300 -0.104 1.00 0.58 O ATOM 1757 CB ASP A 109 11.580 -8.650 2.311 1.00 0.73 C ATOM 1758 CG ASP A 109 12.698 -7.647 2.110 1.00 0.95 C ATOM 1759 OD1 ASP A 109 12.989 -6.876 3.051 1.00 1.16 O ATOM 1760 OD2 ASP A 109 13.289 -7.617 1.011 1.00 1.08 O ATOM 0 H ASP A 109 9.601 -9.478 3.526 1.00 0.68 H new ATOM 0 HA ASP A 109 10.265 -6.966 2.437 1.00 0.67 H new ATOM 0 HB2 ASP A 109 11.668 -9.094 3.302 1.00 0.73 H new ATOM 0 HB3 ASP A 109 11.687 -9.459 1.589 1.00 0.73 H new ATOM 1765 N GLU A 110 8.887 -9.104 0.391 1.00 0.65 N ATOM 1766 CA GLU A 110 8.361 -9.215 -0.972 1.00 0.64 C ATOM 1767 C GLU A 110 7.414 -8.060 -1.272 1.00 0.59 C ATOM 1768 O GLU A 110 7.287 -7.636 -2.418 1.00 0.58 O ATOM 1769 CB GLU A 110 7.662 -10.568 -1.235 1.00 0.68 C ATOM 1770 CG GLU A 110 6.360 -10.801 -0.469 1.00 0.67 C ATOM 1771 CD GLU A 110 5.571 -11.981 -1.010 1.00 0.72 C ATOM 1772 OE1 GLU A 110 4.918 -11.831 -2.063 1.00 0.72 O ATOM 1773 OE2 GLU A 110 5.599 -13.062 -0.392 1.00 0.84 O ATOM 0 H GLU A 110 8.560 -9.821 1.039 1.00 0.65 H new ATOM 0 HA GLU A 110 9.216 -9.165 -1.646 1.00 0.64 H new ATOM 0 HB2 GLU A 110 7.453 -10.647 -2.302 1.00 0.68 H new ATOM 0 HB3 GLU A 110 8.357 -11.370 -0.986 1.00 0.68 H new ATOM 0 HG2 GLU A 110 6.587 -10.971 0.583 1.00 0.67 H new ATOM 0 HG3 GLU A 110 5.745 -9.902 -0.521 1.00 0.67 H new ATOM 1780 N ILE A 111 6.772 -7.534 -0.233 1.00 0.57 N ATOM 1781 CA ILE A 111 5.862 -6.405 -0.392 1.00 0.54 C ATOM 1782 C ILE A 111 6.645 -5.102 -0.454 1.00 0.48 C ATOM 1783 O ILE A 111 6.329 -4.224 -1.256 1.00 0.46 O ATOM 1784 CB ILE A 111 4.823 -6.352 0.749 1.00 0.58 C ATOM 1785 CG1 ILE A 111 4.114 -7.705 0.881 1.00 0.69 C ATOM 1786 CG2 ILE A 111 3.812 -5.251 0.482 1.00 0.56 C ATOM 1787 CD1 ILE A 111 3.012 -7.725 1.922 1.00 0.74 C ATOM 0 H ILE A 111 6.865 -7.871 0.725 1.00 0.57 H new ATOM 0 HA ILE A 111 5.322 -6.541 -1.329 1.00 0.54 H new ATOM 0 HB ILE A 111 5.337 -6.135 1.685 1.00 0.58 H new ATOM 0 HG12 ILE A 111 3.691 -7.978 -0.086 1.00 0.69 H new ATOM 0 HG13 ILE A 111 4.852 -8.467 1.133 1.00 0.69 H new ATOM 0 HG21 ILE A 111 3.083 -5.222 1.292 1.00 0.56 H new ATOM 0 HG22 ILE A 111 4.326 -4.292 0.421 1.00 0.56 H new ATOM 0 HG23 ILE A 111 3.300 -5.448 -0.460 1.00 0.56 H new ATOM 0 HD11 ILE A 111 2.560 -8.716 1.954 1.00 0.74 H new ATOM 0 HD12 ILE A 111 3.430 -7.485 2.899 1.00 0.74 H new ATOM 0 HD13 ILE A 111 2.252 -6.988 1.662 1.00 0.74 H new ATOM 1799 N ARG A 112 7.679 -4.977 0.372 1.00 0.48 N ATOM 1800 CA ARG A 112 8.544 -3.800 0.289 1.00 0.46 C ATOM 1801 C ARG A 112 9.305 -3.818 -1.030 1.00 0.47 C ATOM 1802 O ARG A 112 9.527 -2.790 -1.664 1.00 0.47 O ATOM 1803 CB ARG A 112 9.509 -3.716 1.489 1.00 0.48 C ATOM 1804 CG ARG A 112 10.703 -4.667 1.467 1.00 0.51 C ATOM 1805 CD ARG A 112 11.819 -4.161 0.562 1.00 0.50 C ATOM 1806 NE ARG A 112 13.043 -4.941 0.698 1.00 0.56 N ATOM 1807 CZ ARG A 112 14.255 -4.408 0.782 1.00 0.62 C ATOM 1808 NH1 ARG A 112 14.411 -3.090 0.737 1.00 0.64 N ATOM 1809 NH2 ARG A 112 15.316 -5.196 0.908 1.00 0.72 N ATOM 0 H ARG A 112 7.936 -5.655 1.089 1.00 0.48 H new ATOM 0 HA ARG A 112 7.919 -2.908 0.326 1.00 0.46 H new ATOM 0 HB2 ARG A 112 9.886 -2.695 1.553 1.00 0.48 H new ATOM 0 HB3 ARG A 112 8.940 -3.903 2.399 1.00 0.48 H new ATOM 0 HG2 ARG A 112 11.086 -4.792 2.480 1.00 0.51 H new ATOM 0 HG3 ARG A 112 10.377 -5.650 1.126 1.00 0.51 H new ATOM 0 HD2 ARG A 112 11.485 -4.193 -0.475 1.00 0.50 H new ATOM 0 HD3 ARG A 112 12.029 -3.118 0.797 1.00 0.50 H new ATOM 0 HE ARG A 112 12.963 -5.957 0.731 1.00 0.56 H new ATOM 0 HH11 ARG A 112 13.597 -2.483 0.638 1.00 0.64 H new ATOM 0 HH12 ARG A 112 15.345 -2.684 0.802 1.00 0.64 H new ATOM 0 HH21 ARG A 112 15.198 -6.209 0.940 1.00 0.72 H new ATOM 0 HH22 ARG A 112 16.249 -4.789 0.973 1.00 0.72 H new ATOM 1823 N ASP A 113 9.692 -5.009 -1.443 1.00 0.50 N ATOM 1824 CA ASP A 113 10.427 -5.168 -2.673 1.00 0.53 C ATOM 1825 C ASP A 113 9.519 -4.844 -3.848 1.00 0.54 C ATOM 1826 O ASP A 113 9.944 -4.242 -4.833 1.00 0.59 O ATOM 1827 CB ASP A 113 10.977 -6.594 -2.781 1.00 0.58 C ATOM 1828 CG ASP A 113 11.392 -6.981 -4.184 1.00 0.67 C ATOM 1829 OD1 ASP A 113 12.441 -6.486 -4.648 1.00 0.77 O ATOM 1830 OD2 ASP A 113 10.662 -7.747 -4.840 1.00 0.78 O ATOM 0 H ASP A 113 9.508 -5.878 -0.942 1.00 0.50 H new ATOM 0 HA ASP A 113 11.273 -4.481 -2.684 1.00 0.53 H new ATOM 0 HB2 ASP A 113 11.836 -6.694 -2.117 1.00 0.58 H new ATOM 0 HB3 ASP A 113 10.219 -7.294 -2.430 1.00 0.58 H new ATOM 1835 N ALA A 114 8.251 -5.233 -3.713 1.00 0.54 N ATOM 1836 CA ALA A 114 7.242 -4.957 -4.724 1.00 0.57 C ATOM 1837 C ALA A 114 7.028 -3.458 -4.895 1.00 0.52 C ATOM 1838 O ALA A 114 7.011 -2.953 -6.018 1.00 0.57 O ATOM 1839 CB ALA A 114 5.928 -5.641 -4.379 1.00 0.59 C ATOM 0 H ALA A 114 7.900 -5.745 -2.903 1.00 0.54 H new ATOM 0 HA ALA A 114 7.605 -5.359 -5.670 1.00 0.57 H new ATOM 0 HB1 ALA A 114 5.189 -5.420 -5.149 1.00 0.59 H new ATOM 0 HB2 ALA A 114 6.082 -6.719 -4.323 1.00 0.59 H new ATOM 0 HB3 ALA A 114 5.569 -5.275 -3.417 1.00 0.59 H new ATOM 1845 N VAL A 115 6.870 -2.729 -3.797 1.00 0.46 N ATOM 1846 CA VAL A 115 6.657 -1.299 -3.921 1.00 0.41 C ATOM 1847 C VAL A 115 7.878 -0.631 -4.567 1.00 0.45 C ATOM 1848 O VAL A 115 7.740 0.111 -5.534 1.00 0.47 O ATOM 1849 CB VAL A 115 6.289 -0.603 -2.593 1.00 0.34 C ATOM 1850 CG1 VAL A 115 4.910 -1.042 -2.140 1.00 0.36 C ATOM 1851 CG2 VAL A 115 7.317 -0.855 -1.505 1.00 0.37 C ATOM 0 H VAL A 115 6.885 -3.091 -2.844 1.00 0.46 H new ATOM 0 HA VAL A 115 5.788 -1.177 -4.568 1.00 0.41 H new ATOM 0 HB VAL A 115 6.282 0.471 -2.777 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.660 -0.545 -1.202 1.00 0.36 H new ATOM 0 HG12 VAL A 115 4.175 -0.775 -2.900 1.00 0.36 H new ATOM 0 HG13 VAL A 115 4.902 -2.122 -1.992 1.00 0.36 H new ATOM 0 HG21 VAL A 115 7.012 -0.344 -0.591 1.00 0.37 H new ATOM 0 HG22 VAL A 115 7.391 -1.926 -1.315 1.00 0.37 H new ATOM 0 HG23 VAL A 115 8.287 -0.476 -1.826 1.00 0.37 H new ATOM 1861 N LYS A 116 9.065 -0.950 -4.054 1.00 0.50 N ATOM 1862 CA LYS A 116 10.336 -0.462 -4.606 1.00 0.59 C ATOM 1863 C LYS A 116 10.473 -0.765 -6.101 1.00 0.69 C ATOM 1864 O LYS A 116 10.807 0.116 -6.884 1.00 0.85 O ATOM 1865 CB LYS A 116 11.484 -1.117 -3.835 1.00 0.76 C ATOM 1866 CG LYS A 116 12.822 -1.087 -4.548 1.00 1.16 C ATOM 1867 CD LYS A 116 13.608 -2.359 -4.275 1.00 0.92 C ATOM 1868 CE LYS A 116 13.100 -3.524 -5.111 1.00 0.80 C ATOM 1869 NZ LYS A 116 13.594 -3.460 -6.513 1.00 1.04 N ATOM 0 H LYS A 116 9.177 -1.556 -3.241 1.00 0.50 H new ATOM 0 HA LYS A 116 10.365 0.622 -4.497 1.00 0.59 H new ATOM 0 HB2 LYS A 116 11.589 -0.617 -2.872 1.00 0.76 H new ATOM 0 HB3 LYS A 116 11.220 -2.154 -3.629 1.00 0.76 H new ATOM 0 HG2 LYS A 116 12.665 -0.974 -5.621 1.00 1.16 H new ATOM 0 HG3 LYS A 116 13.396 -0.221 -4.217 1.00 1.16 H new ATOM 0 HD2 LYS A 116 14.663 -2.189 -4.491 1.00 0.92 H new ATOM 0 HD3 LYS A 116 13.536 -2.611 -3.217 1.00 0.92 H new ATOM 0 HE2 LYS A 116 13.418 -4.462 -4.657 1.00 0.80 H new ATOM 0 HE3 LYS A 116 12.010 -3.523 -5.110 1.00 0.80 H new ATOM 0 HZ1 LYS A 116 13.399 -4.363 -6.991 1.00 1.04 H new ATOM 0 HZ2 LYS A 116 13.110 -2.690 -7.017 1.00 1.04 H new ATOM 0 HZ3 LYS A 116 14.619 -3.283 -6.512 1.00 1.04 H new ATOM 1883 N LYS A 117 10.244 -2.011 -6.505 1.00 0.71 N ATOM 1884 CA LYS A 117 10.399 -2.377 -7.914 1.00 0.81 C ATOM 1885 C LYS A 117 9.458 -1.567 -8.810 1.00 0.79 C ATOM 1886 O LYS A 117 9.821 -1.215 -9.933 1.00 0.90 O ATOM 1887 CB LYS A 117 10.184 -3.874 -8.136 1.00 0.89 C ATOM 1888 CG LYS A 117 8.833 -4.371 -7.676 1.00 0.85 C ATOM 1889 CD LYS A 117 8.562 -5.790 -8.141 1.00 1.09 C ATOM 1890 CE LYS A 117 9.458 -6.785 -7.434 1.00 1.08 C ATOM 1891 NZ LYS A 117 9.215 -8.170 -7.905 1.00 1.48 N ATOM 0 H LYS A 117 9.956 -2.774 -5.892 1.00 0.71 H new ATOM 0 HA LYS A 117 11.426 -2.138 -8.191 1.00 0.81 H new ATOM 0 HB2 LYS A 117 10.300 -4.095 -9.197 1.00 0.89 H new ATOM 0 HB3 LYS A 117 10.962 -4.425 -7.609 1.00 0.89 H new ATOM 0 HG2 LYS A 117 8.783 -4.330 -6.588 1.00 0.85 H new ATOM 0 HG3 LYS A 117 8.054 -3.710 -8.056 1.00 0.85 H new ATOM 0 HD2 LYS A 117 7.518 -6.042 -7.955 1.00 1.09 H new ATOM 0 HD3 LYS A 117 8.719 -5.858 -9.217 1.00 1.09 H new ATOM 0 HE2 LYS A 117 10.502 -6.520 -7.604 1.00 1.08 H new ATOM 0 HE3 LYS A 117 9.286 -6.730 -6.359 1.00 1.08 H new ATOM 0 HZ1 LYS A 117 9.846 -8.824 -7.399 1.00 1.48 H new ATOM 0 HZ2 LYS A 117 8.225 -8.431 -7.720 1.00 1.48 H new ATOM 0 HZ3 LYS A 117 9.403 -8.227 -8.926 1.00 1.48 H new ATOM 1905 N TYR A 118 8.255 -1.268 -8.320 1.00 0.69 N ATOM 1906 CA TYR A 118 7.321 -0.445 -9.085 1.00 0.68 C ATOM 1907 C TYR A 118 7.727 1.027 -9.035 1.00 0.69 C ATOM 1908 O TYR A 118 7.935 1.663 -10.069 1.00 0.77 O ATOM 1909 CB TYR A 118 5.885 -0.614 -8.570 1.00 0.64 C ATOM 1910 CG TYR A 118 5.202 -1.893 -9.011 1.00 0.88 C ATOM 1911 CD1 TYR A 118 5.616 -3.125 -8.523 1.00 1.04 C ATOM 1912 CD2 TYR A 118 4.153 -1.870 -9.916 1.00 1.48 C ATOM 1913 CE1 TYR A 118 5.003 -4.295 -8.929 1.00 1.43 C ATOM 1914 CE2 TYR A 118 3.533 -3.033 -10.325 1.00 1.86 C ATOM 1915 CZ TYR A 118 3.931 -4.233 -9.810 1.00 1.73 C ATOM 1916 OH TYR A 118 3.351 -5.405 -10.238 1.00 2.21 O ATOM 0 H TYR A 118 7.909 -1.578 -7.412 1.00 0.69 H new ATOM 0 HA TYR A 118 7.357 -0.782 -10.121 1.00 0.68 H new ATOM 0 HB2 TYR A 118 5.898 -0.582 -7.481 1.00 0.64 H new ATOM 0 HB3 TYR A 118 5.290 0.235 -8.907 1.00 0.64 H new ATOM 0 HD1 TYR A 118 6.430 -3.170 -7.815 1.00 1.04 H new ATOM 0 HD2 TYR A 118 3.814 -0.923 -10.309 1.00 1.48 H new ATOM 0 HE1 TYR A 118 5.354 -5.249 -8.565 1.00 1.43 H new ATOM 0 HE2 TYR A 118 2.734 -2.994 -11.051 1.00 1.86 H new ATOM 0 HH TYR A 118 2.613 -5.201 -10.850 1.00 2.21 H new ATOM 1926 N LEU A 119 7.843 1.553 -7.830 1.00 0.66 N ATOM 1927 CA LEU A 119 8.258 2.928 -7.620 1.00 0.69 C ATOM 1928 C LEU A 119 9.422 2.968 -6.644 1.00 0.72 C ATOM 1929 O LEU A 119 9.221 2.885 -5.439 1.00 0.79 O ATOM 1930 CB LEU A 119 7.105 3.767 -7.068 1.00 0.71 C ATOM 1931 CG LEU A 119 7.458 5.221 -6.772 1.00 1.34 C ATOM 1932 CD1 LEU A 119 7.753 5.962 -8.063 1.00 2.00 C ATOM 1933 CD2 LEU A 119 6.336 5.897 -6.004 1.00 2.09 C ATOM 0 H LEU A 119 7.652 1.040 -6.969 1.00 0.66 H new ATOM 0 HA LEU A 119 8.564 3.344 -8.580 1.00 0.69 H new ATOM 0 HB2 LEU A 119 6.283 3.746 -7.784 1.00 0.71 H new ATOM 0 HB3 LEU A 119 6.742 3.302 -6.152 1.00 0.71 H new ATOM 0 HG LEU A 119 8.353 5.244 -6.150 1.00 1.34 H new ATOM 0 HD11 LEU A 119 8.004 6.999 -7.838 1.00 2.00 H new ATOM 0 HD12 LEU A 119 8.593 5.488 -8.571 1.00 2.00 H new ATOM 0 HD13 LEU A 119 6.875 5.933 -8.708 1.00 2.00 H new ATOM 0 HD21 LEU A 119 6.606 6.933 -5.802 1.00 2.09 H new ATOM 0 HD22 LEU A 119 5.421 5.869 -6.596 1.00 2.09 H new ATOM 0 HD23 LEU A 119 6.174 5.374 -5.061 1.00 2.09 H new ATOM 1945 N PRO A 120 10.651 3.048 -7.156 1.00 0.72 N ATOM 1946 CA PRO A 120 11.847 3.053 -6.334 1.00 0.75 C ATOM 1947 C PRO A 120 12.407 4.464 -6.087 1.00 0.77 C ATOM 1948 O PRO A 120 12.808 5.166 -7.027 1.00 0.92 O ATOM 1949 CB PRO A 120 12.800 2.247 -7.203 1.00 0.79 C ATOM 1950 CG PRO A 120 12.425 2.594 -8.614 1.00 0.78 C ATOM 1951 CD PRO A 120 10.990 3.081 -8.585 1.00 0.75 C ATOM 0 HA PRO A 120 11.676 2.659 -5.332 1.00 0.75 H new ATOM 0 HB2 PRO A 120 13.838 2.506 -6.995 1.00 0.79 H new ATOM 0 HB3 PRO A 120 12.695 1.178 -7.018 1.00 0.79 H new ATOM 0 HG2 PRO A 120 13.086 3.365 -9.010 1.00 0.78 H new ATOM 0 HG3 PRO A 120 12.524 1.725 -9.264 1.00 0.78 H new ATOM 0 HD2 PRO A 120 10.898 4.086 -8.997 1.00 0.75 H new ATOM 0 HD3 PRO A 120 10.334 2.435 -9.169 1.00 0.75 H new ATOM 1959 N LEU A 121 12.429 4.877 -4.831 1.00 0.70 N ATOM 1960 CA LEU A 121 12.982 6.168 -4.448 1.00 0.69 C ATOM 1961 C LEU A 121 14.453 6.011 -4.132 1.00 0.82 C ATOM 1962 O LEU A 121 15.327 6.603 -4.768 1.00 1.00 O ATOM 1963 CB LEU A 121 12.288 6.642 -3.180 1.00 0.55 C ATOM 1964 CG LEU A 121 11.962 8.123 -3.036 1.00 0.58 C ATOM 1965 CD1 LEU A 121 11.482 8.375 -1.613 1.00 1.23 C ATOM 1966 CD2 LEU A 121 13.157 8.996 -3.376 1.00 1.25 C ATOM 0 H LEU A 121 12.066 4.331 -4.050 1.00 0.70 H new ATOM 0 HA LEU A 121 12.839 6.878 -5.263 1.00 0.69 H new ATOM 0 HB2 LEU A 121 11.354 6.087 -3.087 1.00 0.55 H new ATOM 0 HB3 LEU A 121 12.914 6.357 -2.334 1.00 0.55 H new ATOM 0 HG LEU A 121 11.176 8.389 -3.742 1.00 0.58 H new ATOM 0 HD11 LEU A 121 11.244 9.432 -1.491 1.00 1.23 H new ATOM 0 HD12 LEU A 121 10.592 7.777 -1.418 1.00 1.23 H new ATOM 0 HD13 LEU A 121 12.267 8.097 -0.910 1.00 1.23 H new ATOM 0 HD21 LEU A 121 12.885 10.045 -3.262 1.00 1.25 H new ATOM 0 HD22 LEU A 121 13.983 8.760 -2.705 1.00 1.25 H new ATOM 0 HD23 LEU A 121 13.462 8.810 -4.406 1.00 1.25 H new ATOM 1978 N LYS A 122 14.690 5.191 -3.122 1.00 0.82 N ATOM 1979 CA LYS A 122 16.014 5.004 -2.542 1.00 1.05 C ATOM 1980 C LYS A 122 16.355 3.525 -2.497 1.00 1.07 C ATOM 1981 O LYS A 122 17.492 3.124 -2.752 1.00 1.32 O ATOM 1982 CB LYS A 122 16.029 5.530 -1.109 1.00 1.11 C ATOM 1983 CG LYS A 122 15.455 6.928 -0.933 1.00 1.18 C ATOM 1984 CD LYS A 122 16.353 8.001 -1.527 1.00 1.87 C ATOM 1985 CE LYS A 122 15.770 9.387 -1.299 1.00 2.07 C ATOM 1986 NZ LYS A 122 15.579 9.685 0.146 1.00 2.78 N ATOM 0 H LYS A 122 13.964 4.630 -2.676 1.00 0.82 H new ATOM 0 HA LYS A 122 16.738 5.542 -3.154 1.00 1.05 H new ATOM 0 HB2 LYS A 122 15.467 4.841 -0.479 1.00 1.11 H new ATOM 0 HB3 LYS A 122 17.057 5.527 -0.747 1.00 1.11 H new ATOM 0 HG2 LYS A 122 14.474 6.977 -1.405 1.00 1.18 H new ATOM 0 HG3 LYS A 122 15.309 7.127 0.129 1.00 1.18 H new ATOM 0 HD2 LYS A 122 17.344 7.941 -1.077 1.00 1.87 H new ATOM 0 HD3 LYS A 122 16.477 7.826 -2.596 1.00 1.87 H new ATOM 0 HE2 LYS A 122 16.431 10.134 -1.738 1.00 2.07 H new ATOM 0 HE3 LYS A 122 14.813 9.466 -1.814 1.00 2.07 H new ATOM 0 HZ1 LYS A 122 15.443 10.708 0.274 1.00 2.78 H new ATOM 0 HZ2 LYS A 122 14.742 9.178 0.497 1.00 2.78 H new ATOM 0 HZ3 LYS A 122 16.418 9.378 0.678 1.00 2.78 H new ATOM 2000 N SER A 123 15.353 2.739 -2.115 1.00 0.92 N ATOM 2001 CA SER A 123 15.473 1.288 -1.985 1.00 1.00 C ATOM 2002 C SER A 123 16.020 0.621 -3.258 1.00 1.56 C ATOM 2003 O SER A 123 16.278 1.286 -4.263 1.00 2.17 O ATOM 2004 CB SER A 123 14.108 0.690 -1.625 1.00 0.86 C ATOM 2005 OG SER A 123 14.232 -0.655 -1.196 1.00 1.48 O ATOM 0 H SER A 123 14.425 3.094 -1.884 1.00 0.92 H new ATOM 0 HA SER A 123 16.192 1.091 -1.190 1.00 1.00 H new ATOM 0 HB2 SER A 123 13.645 1.284 -0.837 1.00 0.86 H new ATOM 0 HB3 SER A 123 13.448 0.738 -2.491 1.00 0.86 H new ATOM 0 HG SER A 123 13.775 -0.768 -0.336 1.00 1.48 H new ATOM 2011 N ASN A 124 16.157 -0.710 -3.179 1.00 2.15 N ATOM 2012 CA ASN A 124 16.798 -1.559 -4.201 1.00 2.87 C ATOM 2013 C ASN A 124 18.282 -1.696 -3.896 1.00 3.13 C ATOM 2014 O ASN A 124 18.903 -2.713 -4.202 1.00 3.71 O ATOM 2015 CB ASN A 124 16.578 -1.044 -5.634 1.00 3.66 C ATOM 2016 CG ASN A 124 17.061 -2.017 -6.691 1.00 4.66 C ATOM 2017 OD1 ASN A 124 16.310 -2.887 -7.139 1.00 5.26 O ATOM 2018 ND2 ASN A 124 18.310 -1.874 -7.104 1.00 5.20 N ATOM 0 H ASN A 124 15.816 -1.244 -2.380 1.00 2.15 H new ATOM 0 HA ASN A 124 16.323 -2.539 -4.155 1.00 2.87 H new ATOM 0 HB2 ASN A 124 15.516 -0.848 -5.785 1.00 3.66 H new ATOM 0 HB3 ASN A 124 17.098 -0.094 -5.757 1.00 3.66 H new ATOM 0 HD21 ASN A 124 18.685 -2.497 -7.819 1.00 5.20 H new ATOM 0 HD22 ASN A 124 18.898 -1.141 -6.707 1.00 5.20 H new ATOM 2025 N LEU A 125 18.840 -0.669 -3.275 1.00 3.30 N ATOM 2026 CA LEU A 125 20.213 -0.712 -2.814 1.00 4.11 C ATOM 2027 C LEU A 125 20.242 -1.233 -1.381 1.00 4.82 C ATOM 2028 O LEU A 125 20.020 -0.484 -0.426 1.00 5.53 O ATOM 2029 CB LEU A 125 20.849 0.687 -2.913 1.00 4.53 C ATOM 2030 CG LEU A 125 22.380 0.759 -2.762 1.00 5.13 C ATOM 2031 CD1 LEU A 125 22.805 0.669 -1.304 1.00 5.75 C ATOM 2032 CD2 LEU A 125 23.049 -0.338 -3.578 1.00 5.59 C ATOM 0 H LEU A 125 18.357 0.208 -3.079 1.00 3.30 H new ATOM 0 HA LEU A 125 20.795 -1.385 -3.443 1.00 4.11 H new ATOM 0 HB2 LEU A 125 20.581 1.116 -3.879 1.00 4.53 H new ATOM 0 HB3 LEU A 125 20.401 1.320 -2.148 1.00 4.53 H new ATOM 0 HG LEU A 125 22.703 1.728 -3.142 1.00 5.13 H new ATOM 0 HD11 LEU A 125 23.892 0.723 -1.238 1.00 5.75 H new ATOM 0 HD12 LEU A 125 22.366 1.495 -0.745 1.00 5.75 H new ATOM 0 HD13 LEU A 125 22.463 -0.276 -0.883 1.00 5.75 H new ATOM 0 HD21 LEU A 125 24.130 -0.272 -3.459 1.00 5.59 H new ATOM 0 HD22 LEU A 125 22.705 -1.312 -3.230 1.00 5.59 H new ATOM 0 HD23 LEU A 125 22.791 -0.217 -4.630 1.00 5.59 H new ATOM 2044 N GLU A 126 20.461 -2.531 -1.239 1.00 5.03 N ATOM 2045 CA GLU A 126 20.561 -3.137 0.077 1.00 6.01 C ATOM 2046 C GLU A 126 21.931 -2.873 0.677 1.00 6.63 C ATOM 2047 O GLU A 126 22.913 -3.525 0.325 1.00 6.74 O ATOM 2048 CB GLU A 126 20.305 -4.640 0.024 1.00 6.68 C ATOM 2049 CG GLU A 126 18.882 -5.011 -0.355 1.00 7.19 C ATOM 2050 CD GLU A 126 18.629 -6.495 -0.211 1.00 8.09 C ATOM 2051 OE1 GLU A 126 19.005 -7.256 -1.126 1.00 8.43 O ATOM 2052 OE2 GLU A 126 18.068 -6.906 0.830 1.00 8.65 O ATOM 0 H GLU A 126 20.572 -3.182 -2.016 1.00 5.03 H new ATOM 0 HA GLU A 126 19.795 -2.683 0.706 1.00 6.01 H new ATOM 0 HB2 GLU A 126 20.990 -5.090 -0.694 1.00 6.68 H new ATOM 0 HB3 GLU A 126 20.535 -5.072 0.998 1.00 6.68 H new ATOM 0 HG2 GLU A 126 18.183 -4.461 0.275 1.00 7.19 H new ATOM 0 HG3 GLU A 126 18.690 -4.708 -1.384 1.00 7.19 H new ATOM 2059 N HIS A 127 21.996 -1.890 1.553 1.00 7.33 N ATOM 2060 CA HIS A 127 23.231 -1.578 2.249 1.00 8.24 C ATOM 2061 C HIS A 127 23.362 -2.438 3.497 1.00 8.84 C ATOM 2062 O HIS A 127 22.391 -3.056 3.940 1.00 8.87 O ATOM 2063 CB HIS A 127 23.302 -0.090 2.614 1.00 8.80 C ATOM 2064 CG HIS A 127 22.222 0.385 3.546 1.00 9.00 C ATOM 2065 ND1 HIS A 127 22.485 1.116 4.682 1.00 9.40 N ATOM 2066 CD2 HIS A 127 20.874 0.258 3.489 1.00 9.14 C ATOM 2067 CE1 HIS A 127 21.351 1.406 5.290 1.00 9.73 C ATOM 2068 NE2 HIS A 127 20.357 0.902 4.585 1.00 9.58 N ATOM 0 H HIS A 127 21.208 -1.292 1.801 1.00 7.33 H new ATOM 0 HA HIS A 127 24.062 -1.798 1.579 1.00 8.24 H new ATOM 0 HB2 HIS A 127 24.271 0.111 3.071 1.00 8.80 H new ATOM 0 HB3 HIS A 127 23.254 0.497 1.697 1.00 8.80 H new ATOM 0 HD2 HIS A 127 20.311 -0.255 2.723 1.00 9.14 H new ATOM 0 HE1 HIS A 127 21.253 1.963 6.210 1.00 9.73 H new ATOM 0 HE2 HIS A 127 19.367 0.978 4.816 1.00 9.58 H new ATOM 2077 N HIS A 128 24.550 -2.463 4.076 1.00 9.55 N ATOM 2078 CA HIS A 128 24.810 -3.336 5.208 1.00 10.37 C ATOM 2079 C HIS A 128 25.473 -2.561 6.343 1.00 10.87 C ATOM 2080 O HIS A 128 24.814 -2.213 7.324 1.00 11.49 O ATOM 2081 CB HIS A 128 25.687 -4.517 4.776 1.00 11.23 C ATOM 2082 CG HIS A 128 25.532 -5.743 5.627 1.00 11.65 C ATOM 2083 ND1 HIS A 128 25.072 -6.945 5.131 1.00 12.20 N ATOM 2084 CD2 HIS A 128 25.790 -5.957 6.940 1.00 11.83 C ATOM 2085 CE1 HIS A 128 25.054 -7.840 6.100 1.00 12.67 C ATOM 2086 NE2 HIS A 128 25.485 -7.268 7.205 1.00 12.47 N ATOM 0 H HIS A 128 25.344 -1.894 3.784 1.00 9.55 H new ATOM 0 HA HIS A 128 23.859 -3.725 5.572 1.00 10.37 H new ATOM 0 HB2 HIS A 128 25.449 -4.773 3.744 1.00 11.23 H new ATOM 0 HB3 HIS A 128 26.731 -4.205 4.795 1.00 11.23 H new ATOM 0 HD2 HIS A 128 26.166 -5.231 7.646 1.00 11.83 H new ATOM 0 HE1 HIS A 128 24.739 -8.868 6.003 1.00 12.67 H new ATOM 0 HE2 HIS A 128 25.577 -7.726 8.112 1.00 12.47 H new ATOM 2095 N HIS A 129 26.767 -2.271 6.182 1.00 10.78 N ATOM 2096 CA HIS A 129 27.562 -1.592 7.210 1.00 11.47 C ATOM 2097 C HIS A 129 27.624 -2.408 8.496 1.00 12.43 C ATOM 2098 O HIS A 129 28.513 -3.239 8.675 1.00 12.92 O ATOM 2099 CB HIS A 129 27.014 -0.195 7.528 1.00 11.24 C ATOM 2100 CG HIS A 129 27.442 0.874 6.576 1.00 11.36 C ATOM 2101 ND1 HIS A 129 26.773 2.071 6.452 1.00 11.57 N ATOM 2102 CD2 HIS A 129 28.497 0.946 5.730 1.00 11.54 C ATOM 2103 CE1 HIS A 129 27.397 2.834 5.577 1.00 11.86 C ATOM 2104 NE2 HIS A 129 28.443 2.174 5.125 1.00 11.85 N ATOM 0 H HIS A 129 27.292 -2.499 5.338 1.00 10.78 H new ATOM 0 HA HIS A 129 28.567 -1.489 6.801 1.00 11.47 H new ATOM 0 HB2 HIS A 129 25.925 -0.240 7.537 1.00 11.24 H new ATOM 0 HB3 HIS A 129 27.330 0.084 8.533 1.00 11.24 H new ATOM 0 HD2 HIS A 129 29.240 0.180 5.564 1.00 11.54 H new ATOM 0 HE1 HIS A 129 27.101 3.830 5.281 1.00 11.86 H new ATOM 0 HE2 HIS A 129 29.108 2.522 4.434 1.00 11.85 H new ATOM 2113 N HIS A 130 26.654 -2.174 9.366 1.00 12.86 N ATOM 2114 CA HIS A 130 26.600 -2.796 10.678 1.00 13.91 C ATOM 2115 C HIS A 130 25.232 -2.514 11.288 1.00 14.53 C ATOM 2116 O HIS A 130 25.028 -1.482 11.926 1.00 14.74 O ATOM 2117 CB HIS A 130 27.726 -2.243 11.567 1.00 14.42 C ATOM 2118 CG HIS A 130 27.825 -2.873 12.925 1.00 15.19 C ATOM 2119 ND1 HIS A 130 28.597 -3.982 13.192 1.00 15.61 N ATOM 2120 CD2 HIS A 130 27.263 -2.520 14.103 1.00 15.79 C ATOM 2121 CE1 HIS A 130 28.504 -4.282 14.473 1.00 16.39 C ATOM 2122 NE2 HIS A 130 27.702 -3.409 15.051 1.00 16.51 N ATOM 0 H HIS A 130 25.876 -1.542 9.179 1.00 12.86 H new ATOM 0 HA HIS A 130 26.742 -3.873 10.594 1.00 13.91 H new ATOM 0 HB2 HIS A 130 28.676 -2.377 11.050 1.00 14.42 H new ATOM 0 HB3 HIS A 130 27.578 -1.170 11.690 1.00 14.42 H new ATOM 0 HD2 HIS A 130 26.592 -1.690 14.267 1.00 15.79 H new ATOM 0 HE1 HIS A 130 29.001 -5.104 14.966 1.00 16.39 H new ATOM 0 HE2 HIS A 130 27.450 -3.397 16.039 1.00 16.51 H new ATOM 2131 N HIS A 131 24.287 -3.412 11.051 1.00 14.97 N ATOM 2132 CA HIS A 131 22.912 -3.197 11.485 1.00 15.74 C ATOM 2133 C HIS A 131 22.245 -4.511 11.867 1.00 16.72 C ATOM 2134 O HIS A 131 22.152 -5.434 11.058 1.00 17.05 O ATOM 2135 CB HIS A 131 22.101 -2.498 10.380 1.00 15.86 C ATOM 2136 CG HIS A 131 20.654 -2.284 10.724 1.00 16.30 C ATOM 2137 ND1 HIS A 131 20.188 -1.148 11.348 1.00 16.54 N ATOM 2138 CD2 HIS A 131 19.567 -3.070 10.525 1.00 16.69 C ATOM 2139 CE1 HIS A 131 18.882 -1.244 11.520 1.00 17.06 C ATOM 2140 NE2 HIS A 131 18.479 -2.400 11.029 1.00 17.15 N ATOM 0 H HIS A 131 24.445 -4.293 10.563 1.00 14.97 H new ATOM 0 HA HIS A 131 22.937 -2.556 12.366 1.00 15.74 H new ATOM 0 HB2 HIS A 131 22.559 -1.533 10.164 1.00 15.86 H new ATOM 0 HB3 HIS A 131 22.163 -3.092 9.468 1.00 15.86 H new ATOM 0 HD2 HIS A 131 19.558 -4.043 10.057 1.00 16.69 H new ATOM 0 HE1 HIS A 131 18.250 -0.501 11.984 1.00 17.06 H new ATOM 0 HE2 HIS A 131 17.517 -2.740 11.024 1.00 17.15 H new ATOM 2149 N HIS A 132 21.775 -4.573 13.101 1.00 17.28 N ATOM 2150 CA HIS A 132 21.034 -5.722 13.593 1.00 18.32 C ATOM 2151 C HIS A 132 19.910 -5.256 14.506 1.00 19.08 C ATOM 2152 O HIS A 132 18.897 -4.749 13.978 1.00 19.24 O ATOM 2153 CB HIS A 132 21.958 -6.690 14.335 1.00 18.50 C ATOM 2154 CG HIS A 132 22.771 -7.560 13.431 1.00 18.62 C ATOM 2155 ND1 HIS A 132 24.142 -7.504 13.369 1.00 18.99 N ATOM 2156 CD2 HIS A 132 22.397 -8.529 12.565 1.00 18.56 C ATOM 2157 CE1 HIS A 132 24.580 -8.401 12.509 1.00 19.14 C ATOM 2158 NE2 HIS A 132 23.541 -9.041 12.004 1.00 18.89 N ATOM 2159 OXT HIS A 132 20.053 -5.369 15.741 1.00 19.60 O ATOM 0 H HIS A 132 21.896 -3.830 13.789 1.00 17.28 H new ATOM 0 HA HIS A 132 20.606 -6.252 12.742 1.00 18.32 H new ATOM 0 HB2 HIS A 132 22.630 -6.118 14.975 1.00 18.50 H new ATOM 0 HB3 HIS A 132 21.357 -7.322 14.989 1.00 18.50 H new ATOM 0 HD2 HIS A 132 21.385 -8.842 12.354 1.00 18.56 H new ATOM 0 HE1 HIS A 132 25.615 -8.582 12.259 1.00 19.14 H new ATOM 0 HE2 HIS A 132 23.582 -9.790 11.313 1.00 18.89 H new TER 2168 HIS A 132