USER MOD reduce.3.24.130724 H: found=0, std=0, add=1228, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1226 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 82 ASN : amide:sc= -0.358 K(o=-7.3,f=-2.8) USER MOD Set 1.2: A 83 ASN : amide:sc= -6.44! K(o=-7.3!,f=-1) USER MOD Set 1.3: A 84 ASN : amide:sc= -0.491 K(o=-7.3,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot -75:sc= 1.74 USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= -0.0332 (180deg=-0.219) USER MOD Single : A 11 ASN : amide:sc= -0.517 K(o=-0.52,f=-1.2) USER MOD Single : A 13 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -160:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.223 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 32 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.067) USER MOD Single : A 36 MET CE :methyl -172:sc= -0.632 (180deg=-0.92) USER MOD Single : A 37 ASN : amide:sc= -1.98 K(o=-2,f=-0.39) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.38 K(o=-0.38,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot -37:sc= -0.631 USER MOD Single : A 58 SER OG : rot 5:sc= 0.863 USER MOD Single : A 68 THR OG1 : rot 108:sc= 0.714 USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 0.845 (180deg=-0.128) USER MOD Single : A 74 GLN : amide:sc= -0.542 K(o=-0.54,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc=-0.00362 (180deg=-0.103) USER MOD Single : A 94 GLN : amide:sc= -3.1! C(o=-3.1!,f=-8.6!) USER MOD Single : A 101 THR OG1 : rot 133:sc= 0.545 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc=-0.00932 X(o=-0.0093,f=-0.15) USER MOD Single : A 122 MET CE :methyl 155:sc= -4.16! (180deg=-4.31!) USER MOD Single : A 125 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-2.3!) USER MOD Single : A 128 SER OG : rot 79:sc= 1.16 USER MOD Single : A 130 ASN : amide:sc= 0.27 K(o=0.27,f=-1.1) USER MOD Single : A 131 TYR OH : rot 120:sc= 0.674 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -1.62 K(o=-1.6,f=-12!) USER MOD Single : A 144 GLN : amide:sc= -1.25 K(o=-1.2,f=-5.8!) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 152 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 153 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 154 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.11) USER MOD Single : A 155 HIS : no HD1:sc= -0.0924 X(o=-0.092,f=-0.096) USER MOD Single : A 156 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.776 -0.721 21.451 1.00 42.42 N ATOM 2 CA MET A 1 2.097 -0.710 20.769 1.00 22.32 C ATOM 3 C MET A 1 2.638 -2.137 20.591 1.00 34.31 C ATOM 4 O MET A 1 2.567 -2.957 21.508 1.00 40.12 O ATOM 5 CB MET A 1 3.103 0.131 21.573 1.00 41.23 C ATOM 6 CG MET A 1 4.463 0.289 20.898 1.00 14.22 C ATOM 7 SD MET A 1 5.669 1.118 21.953 1.00 63.33 S ATOM 8 CE MET A 1 7.092 1.174 20.863 1.00 25.34 C ATOM 0 H1 MET A 1 0.433 0.255 21.559 1.00 42.42 H new ATOM 0 H2 MET A 1 0.097 -1.266 20.883 1.00 42.42 H new ATOM 0 H3 MET A 1 0.873 -1.159 22.389 1.00 42.42 H new ATOM 0 HA MET A 1 1.963 -0.266 19.782 1.00 22.32 H new ATOM 0 HB2 MET A 1 2.678 1.120 21.745 1.00 41.23 H new ATOM 0 HB3 MET A 1 3.246 -0.329 22.551 1.00 41.23 H new ATOM 0 HG2 MET A 1 4.843 -0.694 20.621 1.00 14.22 H new ATOM 0 HG3 MET A 1 4.343 0.856 19.975 1.00 14.22 H new ATOM 0 HE1 MET A 1 7.923 1.660 21.374 1.00 25.34 H new ATOM 0 HE2 MET A 1 7.379 0.159 20.587 1.00 25.34 H new ATOM 0 HE3 MET A 1 6.840 1.737 19.964 1.00 25.34 H new ATOM 20 N ARG A 2 3.175 -2.423 19.408 1.00 12.33 N ATOM 21 CA ARG A 2 3.778 -3.729 19.118 1.00 11.11 C ATOM 22 C ARG A 2 4.790 -3.599 17.972 1.00 73.33 C ATOM 23 O ARG A 2 4.406 -3.404 16.817 1.00 63.22 O ATOM 24 CB ARG A 2 2.695 -4.758 18.749 1.00 53.22 C ATOM 25 CG ARG A 2 3.230 -6.178 18.588 1.00 53.42 C ATOM 26 CD ARG A 2 2.163 -7.136 18.071 1.00 11.21 C ATOM 27 NE ARG A 2 0.965 -7.144 18.906 1.00 44.33 N ATOM 28 CZ ARG A 2 -0.112 -7.829 18.634 1.00 12.21 C ATOM 29 NH1 ARG A 2 -0.185 -8.548 17.557 1.00 55.25 N ATOM 30 NH2 ARG A 2 -1.126 -7.778 19.438 1.00 0.04 N ATOM 0 H ARG A 2 3.207 -1.766 18.628 1.00 12.33 H new ATOM 0 HA ARG A 2 4.294 -4.076 20.013 1.00 11.11 H new ATOM 0 HB2 ARG A 2 1.925 -4.754 19.520 1.00 53.22 H new ATOM 0 HB3 ARG A 2 2.216 -4.451 17.819 1.00 53.22 H new ATOM 0 HG2 ARG A 2 4.075 -6.171 17.899 1.00 53.42 H new ATOM 0 HG3 ARG A 2 3.604 -6.535 19.548 1.00 53.42 H new ATOM 0 HD2 ARG A 2 1.891 -6.856 17.053 1.00 11.21 H new ATOM 0 HD3 ARG A 2 2.576 -8.144 18.025 1.00 11.21 H new ATOM 0 HE ARG A 2 0.970 -6.579 19.755 1.00 44.33 H new ATOM 0 HH11 ARG A 2 0.605 -8.582 16.912 1.00 55.25 H new ATOM 0 HH12 ARG A 2 -1.032 -9.079 17.355 1.00 55.25 H new ATOM 0 HH21 ARG A 2 -1.081 -7.204 20.280 1.00 0.04 H new ATOM 0 HH22 ARG A 2 -1.970 -8.312 19.229 1.00 0.04 H new ATOM 44 N VAL A 3 6.079 -3.670 18.295 1.00 25.14 N ATOM 45 CA VAL A 3 7.141 -3.479 17.297 1.00 30.23 C ATOM 46 C VAL A 3 7.213 -4.650 16.298 1.00 60.04 C ATOM 47 O VAL A 3 7.713 -5.730 16.619 1.00 43.42 O ATOM 48 CB VAL A 3 8.524 -3.289 17.977 1.00 12.44 C ATOM 49 CG1 VAL A 3 9.605 -2.963 16.945 1.00 14.23 C ATOM 50 CG2 VAL A 3 8.457 -2.202 19.049 1.00 15.02 C ATOM 0 H VAL A 3 6.418 -3.858 19.238 1.00 25.14 H new ATOM 0 HA VAL A 3 6.888 -2.574 16.745 1.00 30.23 H new ATOM 0 HB VAL A 3 8.791 -4.229 18.459 1.00 12.44 H new ATOM 0 HG11 VAL A 3 10.563 -2.835 17.449 1.00 14.23 H new ATOM 0 HG12 VAL A 3 9.680 -3.779 16.226 1.00 14.23 H new ATOM 0 HG13 VAL A 3 9.344 -2.042 16.423 1.00 14.23 H new ATOM 0 HG21 VAL A 3 9.437 -2.086 19.512 1.00 15.02 H new ATOM 0 HG22 VAL A 3 8.158 -1.259 18.592 1.00 15.02 H new ATOM 0 HG23 VAL A 3 7.728 -2.485 19.809 1.00 15.02 H new ATOM 60 N TYR A 4 6.697 -4.425 15.088 1.00 12.04 N ATOM 61 CA TYR A 4 6.715 -5.437 14.020 1.00 62.54 C ATOM 62 C TYR A 4 7.941 -5.302 13.106 1.00 41.52 C ATOM 63 O TYR A 4 8.302 -4.202 12.686 1.00 63.24 O ATOM 64 CB TYR A 4 5.439 -5.343 13.160 1.00 14.31 C ATOM 65 CG TYR A 4 4.267 -6.142 13.696 1.00 71.21 C ATOM 66 CD1 TYR A 4 4.323 -7.528 13.738 1.00 51.01 C ATOM 67 CD2 TYR A 4 3.109 -5.521 14.150 1.00 4.41 C ATOM 68 CE1 TYR A 4 3.267 -8.274 14.212 1.00 52.04 C ATOM 69 CE2 TYR A 4 2.044 -6.262 14.629 1.00 75.12 C ATOM 70 CZ TYR A 4 2.129 -7.641 14.656 1.00 30.35 C ATOM 71 OH TYR A 4 1.076 -8.385 15.147 1.00 33.22 O ATOM 0 H TYR A 4 6.257 -3.545 14.818 1.00 12.04 H new ATOM 0 HA TYR A 4 6.763 -6.407 14.515 1.00 62.54 H new ATOM 0 HB2 TYR A 4 5.145 -4.297 13.080 1.00 14.31 H new ATOM 0 HB3 TYR A 4 5.668 -5.687 12.152 1.00 14.31 H new ATOM 0 HD1 TYR A 4 5.213 -8.032 13.392 1.00 51.01 H new ATOM 0 HD2 TYR A 4 3.040 -4.443 14.128 1.00 4.41 H new ATOM 0 HE1 TYR A 4 3.332 -9.352 14.235 1.00 52.04 H new ATOM 0 HE2 TYR A 4 1.151 -5.766 14.980 1.00 75.12 H new ATOM 0 HH TYR A 4 0.601 -8.811 14.403 1.00 33.22 H new ATOM 81 N LYS A 5 8.581 -6.432 12.812 1.00 4.40 N ATOM 82 CA LYS A 5 9.628 -6.497 11.788 1.00 21.04 C ATOM 83 C LYS A 5 9.105 -7.237 10.541 1.00 24.14 C ATOM 84 O LYS A 5 8.096 -7.941 10.615 1.00 21.41 O ATOM 85 CB LYS A 5 10.890 -7.200 12.335 1.00 11.11 C ATOM 86 CG LYS A 5 11.778 -6.323 13.214 1.00 1.44 C ATOM 87 CD LYS A 5 11.125 -5.966 14.546 1.00 13.24 C ATOM 88 CE LYS A 5 12.032 -5.075 15.386 1.00 20.11 C ATOM 89 NZ LYS A 5 13.324 -5.738 15.708 1.00 72.11 N ATOM 0 H LYS A 5 8.392 -7.323 13.271 1.00 4.40 H new ATOM 0 HA LYS A 5 9.898 -5.478 11.509 1.00 21.04 H new ATOM 0 HB2 LYS A 5 10.582 -8.074 12.910 1.00 11.11 H new ATOM 0 HB3 LYS A 5 11.480 -7.564 11.494 1.00 11.11 H new ATOM 0 HG2 LYS A 5 12.718 -6.841 13.403 1.00 1.44 H new ATOM 0 HG3 LYS A 5 12.021 -5.406 12.677 1.00 1.44 H new ATOM 0 HD2 LYS A 5 10.178 -5.457 14.365 1.00 13.24 H new ATOM 0 HD3 LYS A 5 10.896 -6.878 15.097 1.00 13.24 H new ATOM 0 HE2 LYS A 5 12.225 -4.146 14.849 1.00 20.11 H new ATOM 0 HE3 LYS A 5 11.521 -4.808 16.311 1.00 20.11 H new ATOM 0 HZ1 LYS A 5 13.822 -5.191 16.439 1.00 72.11 H new ATOM 0 HZ2 LYS A 5 13.143 -6.700 16.058 1.00 72.11 H new ATOM 0 HZ3 LYS A 5 13.912 -5.786 14.852 1.00 72.11 H new ATOM 103 N PRO A 6 9.783 -7.107 9.373 1.00 65.03 N ATOM 104 CA PRO A 6 9.336 -7.762 8.127 1.00 14.32 C ATOM 105 C PRO A 6 9.153 -9.281 8.287 1.00 72.52 C ATOM 106 O PRO A 6 8.368 -9.900 7.577 1.00 64.04 O ATOM 107 CB PRO A 6 10.463 -7.447 7.121 1.00 43.31 C ATOM 108 CG PRO A 6 11.620 -6.996 7.954 1.00 21.00 C ATOM 109 CD PRO A 6 11.023 -6.336 9.166 1.00 5.40 C ATOM 0 HA PRO A 6 8.358 -7.398 7.811 1.00 14.32 H new ATOM 0 HB2 PRO A 6 10.722 -8.327 6.532 1.00 43.31 H new ATOM 0 HB3 PRO A 6 10.158 -6.671 6.419 1.00 43.31 H new ATOM 0 HG2 PRO A 6 12.249 -7.840 8.239 1.00 21.00 H new ATOM 0 HG3 PRO A 6 12.251 -6.300 7.401 1.00 21.00 H new ATOM 0 HD2 PRO A 6 11.687 -6.396 10.029 1.00 5.40 H new ATOM 0 HD3 PRO A 6 10.819 -5.279 8.993 1.00 5.40 H new ATOM 117 N GLU A 7 9.888 -9.869 9.226 1.00 11.40 N ATOM 118 CA GLU A 7 9.786 -11.303 9.519 1.00 34.42 C ATOM 119 C GLU A 7 8.508 -11.639 10.315 1.00 53.22 C ATOM 120 O GLU A 7 7.968 -12.743 10.198 1.00 61.21 O ATOM 121 CB GLU A 7 11.028 -11.757 10.297 1.00 62.22 C ATOM 122 CG GLU A 7 11.278 -10.957 11.570 1.00 62.24 C ATOM 123 CD GLU A 7 12.552 -11.369 12.283 1.00 54.42 C ATOM 124 OE1 GLU A 7 13.649 -11.011 11.803 1.00 73.34 O ATOM 125 OE2 GLU A 7 12.466 -12.045 13.330 1.00 55.10 O ATOM 0 H GLU A 7 10.567 -9.374 9.804 1.00 11.40 H new ATOM 0 HA GLU A 7 9.728 -11.837 8.571 1.00 34.42 H new ATOM 0 HB2 GLU A 7 10.919 -12.810 10.555 1.00 62.22 H new ATOM 0 HB3 GLU A 7 11.901 -11.676 9.650 1.00 62.22 H new ATOM 0 HG2 GLU A 7 11.332 -9.897 11.323 1.00 62.24 H new ATOM 0 HG3 GLU A 7 10.432 -11.084 12.245 1.00 62.24 H new ATOM 132 N ASP A 8 8.029 -10.690 11.121 1.00 31.21 N ATOM 133 CA ASP A 8 6.821 -10.895 11.933 1.00 42.22 C ATOM 134 C ASP A 8 5.545 -10.791 11.084 1.00 63.32 C ATOM 135 O ASP A 8 4.528 -11.420 11.388 1.00 4.11 O ATOM 136 CB ASP A 8 6.765 -9.867 13.067 1.00 71.13 C ATOM 137 CG ASP A 8 7.914 -10.007 14.046 1.00 51.12 C ATOM 138 OD1 ASP A 8 9.017 -9.511 13.746 1.00 2.44 O ATOM 139 OD2 ASP A 8 7.712 -10.609 15.124 1.00 74.24 O ATOM 0 H ASP A 8 8.457 -9.771 11.231 1.00 31.21 H new ATOM 0 HA ASP A 8 6.873 -11.901 12.351 1.00 42.22 H new ATOM 0 HB2 ASP A 8 6.776 -8.863 12.642 1.00 71.13 H new ATOM 0 HB3 ASP A 8 5.822 -9.975 13.603 1.00 71.13 H new ATOM 144 N VAL A 9 5.608 -9.990 10.028 1.00 4.01 N ATOM 145 CA VAL A 9 4.464 -9.779 9.136 1.00 64.52 C ATOM 146 C VAL A 9 4.044 -11.092 8.432 1.00 12.32 C ATOM 147 O VAL A 9 4.878 -11.778 7.834 1.00 2.41 O ATOM 148 CB VAL A 9 4.793 -8.703 8.067 1.00 53.22 C ATOM 149 CG1 VAL A 9 3.591 -8.429 7.166 1.00 2.44 C ATOM 150 CG2 VAL A 9 5.278 -7.414 8.731 1.00 34.41 C ATOM 0 H VAL A 9 6.444 -9.470 9.763 1.00 4.01 H new ATOM 0 HA VAL A 9 3.634 -9.435 9.752 1.00 64.52 H new ATOM 0 HB VAL A 9 5.596 -9.091 7.440 1.00 53.22 H new ATOM 0 HG11 VAL A 9 3.854 -7.671 6.428 1.00 2.44 H new ATOM 0 HG12 VAL A 9 3.302 -9.348 6.655 1.00 2.44 H new ATOM 0 HG13 VAL A 9 2.757 -8.073 7.770 1.00 2.44 H new ATOM 0 HG21 VAL A 9 5.503 -6.672 7.965 1.00 34.41 H new ATOM 0 HG22 VAL A 9 4.500 -7.029 9.390 1.00 34.41 H new ATOM 0 HG23 VAL A 9 6.177 -7.620 9.312 1.00 34.41 H new ATOM 160 N PRO A 10 2.750 -11.470 8.509 1.00 3.13 N ATOM 161 CA PRO A 10 2.239 -12.697 7.867 1.00 61.22 C ATOM 162 C PRO A 10 2.398 -12.684 6.333 1.00 24.22 C ATOM 163 O PRO A 10 2.018 -11.722 5.663 1.00 72.22 O ATOM 164 CB PRO A 10 0.751 -12.725 8.266 1.00 44.40 C ATOM 165 CG PRO A 10 0.422 -11.318 8.645 1.00 12.24 C ATOM 166 CD PRO A 10 1.685 -10.743 9.227 1.00 73.15 C ATOM 0 HA PRO A 10 2.793 -13.578 8.190 1.00 61.22 H new ATOM 0 HB2 PRO A 10 0.128 -13.066 7.439 1.00 44.40 H new ATOM 0 HB3 PRO A 10 0.579 -13.408 9.098 1.00 44.40 H new ATOM 0 HG2 PRO A 10 0.096 -10.745 7.777 1.00 12.24 H new ATOM 0 HG3 PRO A 10 -0.391 -11.289 9.370 1.00 12.24 H new ATOM 0 HD2 PRO A 10 1.751 -9.667 9.063 1.00 73.15 H new ATOM 0 HD3 PRO A 10 1.742 -10.905 10.303 1.00 73.15 H new ATOM 174 N ASN A 11 2.954 -13.763 5.784 1.00 4.33 N ATOM 175 CA ASN A 11 3.196 -13.869 4.339 1.00 14.44 C ATOM 176 C ASN A 11 1.884 -14.004 3.541 1.00 1.01 C ATOM 177 O ASN A 11 1.525 -15.090 3.079 1.00 43.32 O ATOM 178 CB ASN A 11 4.143 -15.048 4.043 1.00 13.14 C ATOM 179 CG ASN A 11 3.763 -16.326 4.781 1.00 21.42 C ATOM 180 OD1 ASN A 11 2.603 -16.568 5.094 1.00 32.03 O ATOM 181 ND2 ASN A 11 4.743 -17.157 5.060 1.00 4.21 N ATOM 0 H ASN A 11 3.248 -14.581 6.317 1.00 4.33 H new ATOM 0 HA ASN A 11 3.672 -12.944 4.014 1.00 14.44 H new ATOM 0 HB2 ASN A 11 4.145 -15.243 2.971 1.00 13.14 H new ATOM 0 HB3 ASN A 11 5.160 -14.766 4.318 1.00 13.14 H new ATOM 0 HD21 ASN A 11 4.547 -18.030 5.550 1.00 4.21 H new ATOM 0 HD22 ASN A 11 5.699 -16.928 4.787 1.00 4.21 H new ATOM 188 N VAL A 12 1.173 -12.889 3.373 1.00 61.24 N ATOM 189 CA VAL A 12 -0.120 -12.894 2.678 1.00 14.54 C ATOM 190 C VAL A 12 -0.013 -13.432 1.239 1.00 14.35 C ATOM 191 O VAL A 12 -0.765 -14.316 0.852 1.00 51.22 O ATOM 192 CB VAL A 12 -0.779 -11.489 2.667 1.00 73.14 C ATOM 193 CG1 VAL A 12 -1.170 -11.071 4.084 1.00 43.24 C ATOM 194 CG2 VAL A 12 0.142 -10.447 2.029 1.00 3.12 C ATOM 0 H VAL A 12 1.467 -11.971 3.707 1.00 61.24 H new ATOM 0 HA VAL A 12 -0.757 -13.572 3.245 1.00 14.54 H new ATOM 0 HB VAL A 12 -1.683 -11.547 2.060 1.00 73.14 H new ATOM 0 HG11 VAL A 12 -1.631 -10.083 4.058 1.00 43.24 H new ATOM 0 HG12 VAL A 12 -1.878 -11.791 4.493 1.00 43.24 H new ATOM 0 HG13 VAL A 12 -0.280 -11.040 4.713 1.00 43.24 H new ATOM 0 HG21 VAL A 12 -0.349 -9.474 2.037 1.00 3.12 H new ATOM 0 HG22 VAL A 12 1.072 -10.389 2.594 1.00 3.12 H new ATOM 0 HG23 VAL A 12 0.360 -10.735 1.001 1.00 3.12 H new ATOM 204 N GLN A 13 0.938 -12.926 0.456 1.00 24.51 N ATOM 205 CA GLN A 13 1.088 -13.357 -0.946 1.00 50.03 C ATOM 206 C GLN A 13 1.388 -14.864 -1.059 1.00 64.41 C ATOM 207 O GLN A 13 1.218 -15.463 -2.124 1.00 15.25 O ATOM 208 CB GLN A 13 2.180 -12.537 -1.645 1.00 70.21 C ATOM 209 CG GLN A 13 1.869 -11.044 -1.699 1.00 45.32 C ATOM 210 CD GLN A 13 0.562 -10.729 -2.419 1.00 44.33 C ATOM 211 OE1 GLN A 13 -0.134 -9.786 -2.073 1.00 34.31 O ATOM 212 NE2 GLN A 13 0.227 -11.500 -3.436 1.00 11.14 N ATOM 0 H GLN A 13 1.613 -12.224 0.758 1.00 24.51 H new ATOM 0 HA GLN A 13 0.136 -13.178 -1.445 1.00 50.03 H new ATOM 0 HB2 GLN A 13 3.126 -12.686 -1.125 1.00 70.21 H new ATOM 0 HB3 GLN A 13 2.312 -12.911 -2.660 1.00 70.21 H new ATOM 0 HG2 GLN A 13 1.820 -10.652 -0.683 1.00 45.32 H new ATOM 0 HG3 GLN A 13 2.687 -10.527 -2.201 1.00 45.32 H new ATOM 0 HE21 GLN A 13 0.827 -12.281 -3.703 1.00 11.14 H new ATOM 0 HE22 GLN A 13 -0.632 -11.315 -3.955 1.00 11.14 H new ATOM 221 N LEU A 14 1.828 -15.468 0.043 1.00 51.45 N ATOM 222 CA LEU A 14 2.066 -16.912 0.096 1.00 63.04 C ATOM 223 C LEU A 14 0.767 -17.652 0.464 1.00 71.25 C ATOM 224 O LEU A 14 0.348 -18.576 -0.232 1.00 1.43 O ATOM 225 CB LEU A 14 3.189 -17.213 1.109 1.00 75.20 C ATOM 226 CG LEU A 14 3.719 -18.665 1.146 1.00 40.31 C ATOM 227 CD1 LEU A 14 5.112 -18.713 1.771 1.00 41.34 C ATOM 228 CD2 LEU A 14 2.773 -19.586 1.920 1.00 21.31 C ATOM 0 H LEU A 14 2.028 -14.979 0.915 1.00 51.45 H new ATOM 0 HA LEU A 14 2.383 -17.266 -0.885 1.00 63.04 H new ATOM 0 HB2 LEU A 14 4.027 -16.550 0.895 1.00 75.20 H new ATOM 0 HB3 LEU A 14 2.827 -16.957 2.105 1.00 75.20 H new ATOM 0 HG LEU A 14 3.776 -19.018 0.116 1.00 40.31 H new ATOM 0 HD11 LEU A 14 5.468 -19.743 1.788 1.00 41.34 H new ATOM 0 HD12 LEU A 14 5.796 -18.102 1.182 1.00 41.34 H new ATOM 0 HD13 LEU A 14 5.067 -18.328 2.790 1.00 41.34 H new ATOM 0 HD21 LEU A 14 3.176 -20.599 1.926 1.00 21.31 H new ATOM 0 HD22 LEU A 14 2.674 -19.228 2.945 1.00 21.31 H new ATOM 0 HD23 LEU A 14 1.794 -19.588 1.441 1.00 21.31 H new ATOM 240 N ALA A 15 0.131 -17.231 1.559 1.00 53.42 N ATOM 241 CA ALA A 15 -1.123 -17.844 2.018 1.00 43.42 C ATOM 242 C ALA A 15 -2.355 -17.089 1.484 1.00 32.52 C ATOM 243 O ALA A 15 -3.015 -17.543 0.545 1.00 41.33 O ATOM 244 CB ALA A 15 -1.149 -17.907 3.543 1.00 63.14 C ATOM 0 H ALA A 15 0.462 -16.467 2.147 1.00 53.42 H new ATOM 0 HA ALA A 15 -1.166 -18.858 1.620 1.00 43.42 H new ATOM 0 HB1 ALA A 15 -2.083 -18.363 3.872 1.00 63.14 H new ATOM 0 HB2 ALA A 15 -0.309 -18.504 3.897 1.00 63.14 H new ATOM 0 HB3 ALA A 15 -1.074 -16.899 3.950 1.00 63.14 H new ATOM 250 N ASP A 16 -2.649 -15.929 2.073 1.00 5.00 N ATOM 251 CA ASP A 16 -3.795 -15.104 1.663 1.00 31.14 C ATOM 252 C ASP A 16 -3.523 -14.322 0.359 1.00 12.33 C ATOM 253 O ASP A 16 -3.790 -13.119 0.274 1.00 31.31 O ATOM 254 CB ASP A 16 -4.154 -14.131 2.789 1.00 5.20 C ATOM 255 CG ASP A 16 -4.739 -14.839 3.995 1.00 13.21 C ATOM 256 OD1 ASP A 16 -3.963 -15.366 4.816 1.00 42.21 O ATOM 257 OD2 ASP A 16 -5.982 -14.863 4.128 1.00 73.31 O ATOM 0 H ASP A 16 -2.107 -15.534 2.842 1.00 5.00 H new ATOM 0 HA ASP A 16 -4.630 -15.777 1.466 1.00 31.14 H new ATOM 0 HB2 ASP A 16 -3.262 -13.582 3.090 1.00 5.20 H new ATOM 0 HB3 ASP A 16 -4.870 -13.398 2.418 1.00 5.20 H new ATOM 262 N SER A 17 -3.020 -15.015 -0.664 1.00 33.23 N ATOM 263 CA SER A 17 -2.758 -14.397 -1.975 1.00 13.12 C ATOM 264 C SER A 17 -4.056 -13.912 -2.633 1.00 53.21 C ATOM 265 O SER A 17 -4.031 -13.247 -3.670 1.00 51.20 O ATOM 266 CB SER A 17 -2.060 -15.393 -2.905 1.00 44.10 C ATOM 267 OG SER A 17 -2.867 -16.541 -3.128 1.00 51.00 O ATOM 0 H SER A 17 -2.784 -16.006 -0.615 1.00 33.23 H new ATOM 0 HA SER A 17 -2.110 -13.537 -1.808 1.00 13.12 H new ATOM 0 HB2 SER A 17 -1.838 -14.911 -3.857 1.00 44.10 H new ATOM 0 HB3 SER A 17 -1.107 -15.694 -2.470 1.00 44.10 H new ATOM 0 HG SER A 17 -2.398 -17.159 -3.726 1.00 51.00 H new ATOM 273 N THR A 18 -5.187 -14.283 -2.039 1.00 50.45 N ATOM 274 CA THR A 18 -6.503 -13.805 -2.475 1.00 22.43 C ATOM 275 C THR A 18 -6.897 -12.512 -1.749 1.00 64.14 C ATOM 276 O THR A 18 -7.680 -11.712 -2.264 1.00 51.04 O ATOM 277 CB THR A 18 -7.590 -14.865 -2.208 1.00 33.33 C ATOM 278 OG1 THR A 18 -7.657 -15.147 -0.801 1.00 74.31 O ATOM 279 CG2 THR A 18 -7.295 -16.152 -2.970 1.00 2.22 C ATOM 0 H THR A 18 -5.221 -14.921 -1.244 1.00 50.45 H new ATOM 0 HA THR A 18 -6.430 -13.611 -3.545 1.00 22.43 H new ATOM 0 HB THR A 18 -8.546 -14.469 -2.552 1.00 33.33 H new ATOM 0 HG1 THR A 18 -8.350 -15.820 -0.635 1.00 74.31 H new ATOM 0 HG21 THR A 18 -8.076 -16.884 -2.765 1.00 2.22 H new ATOM 0 HG22 THR A 18 -7.265 -15.943 -4.039 1.00 2.22 H new ATOM 0 HG23 THR A 18 -6.332 -16.551 -2.651 1.00 2.22 H new ATOM 287 N ARG A 19 -6.353 -12.313 -0.547 1.00 25.32 N ATOM 288 CA ARG A 19 -6.629 -11.108 0.247 1.00 13.12 C ATOM 289 C ARG A 19 -5.691 -9.955 -0.161 1.00 24.23 C ATOM 290 O ARG A 19 -6.125 -8.812 -0.322 1.00 22.35 O ATOM 291 CB ARG A 19 -6.453 -11.404 1.750 1.00 63.33 C ATOM 292 CG ARG A 19 -7.144 -10.393 2.669 1.00 3.44 C ATOM 293 CD ARG A 19 -6.587 -10.415 4.095 1.00 71.23 C ATOM 294 NE ARG A 19 -6.499 -11.762 4.659 1.00 65.24 N ATOM 295 CZ ARG A 19 -6.169 -12.015 5.902 1.00 65.40 C ATOM 296 NH1 ARG A 19 -5.961 -11.056 6.746 1.00 12.12 N ATOM 297 NH2 ARG A 19 -6.052 -13.237 6.306 1.00 14.05 N ATOM 0 H ARG A 19 -5.716 -12.972 -0.098 1.00 25.32 H new ATOM 0 HA ARG A 19 -7.660 -10.809 0.055 1.00 13.12 H new ATOM 0 HB2 ARG A 19 -6.844 -12.399 1.962 1.00 63.33 H new ATOM 0 HB3 ARG A 19 -5.389 -11.424 1.984 1.00 63.33 H new ATOM 0 HG2 ARG A 19 -7.028 -9.392 2.253 1.00 3.44 H new ATOM 0 HG3 ARG A 19 -8.213 -10.605 2.697 1.00 3.44 H new ATOM 0 HD2 ARG A 19 -5.596 -9.961 4.098 1.00 71.23 H new ATOM 0 HD3 ARG A 19 -7.220 -9.801 4.735 1.00 71.23 H new ATOM 0 HE ARG A 19 -6.707 -12.552 4.048 1.00 65.24 H new ATOM 0 HH11 ARG A 19 -6.053 -10.085 6.448 1.00 12.12 H new ATOM 0 HH12 ARG A 19 -5.705 -11.271 7.710 1.00 12.12 H new ATOM 0 HH21 ARG A 19 -6.217 -14.007 5.657 1.00 14.05 H new ATOM 0 HH22 ARG A 19 -5.795 -13.432 7.274 1.00 14.05 H new ATOM 311 N LEU A 20 -4.399 -10.278 -0.309 1.00 21.13 N ATOM 312 CA LEU A 20 -3.348 -9.298 -0.650 1.00 62.12 C ATOM 313 C LEU A 20 -3.242 -8.164 0.391 1.00 34.11 C ATOM 314 O LEU A 20 -2.606 -7.140 0.142 1.00 44.34 O ATOM 315 CB LEU A 20 -3.561 -8.691 -2.053 1.00 20.01 C ATOM 316 CG LEU A 20 -3.500 -9.676 -3.239 1.00 42.14 C ATOM 317 CD1 LEU A 20 -4.859 -10.322 -3.489 1.00 3.12 C ATOM 318 CD2 LEU A 20 -2.996 -8.977 -4.501 1.00 1.24 C ATOM 0 H LEU A 20 -4.048 -11.229 -0.196 1.00 21.13 H new ATOM 0 HA LEU A 20 -2.411 -9.855 -0.646 1.00 62.12 H new ATOM 0 HB2 LEU A 20 -4.532 -8.196 -2.068 1.00 20.01 H new ATOM 0 HB3 LEU A 20 -2.808 -7.919 -2.210 1.00 20.01 H new ATOM 0 HG LEU A 20 -2.795 -10.465 -2.979 1.00 42.14 H new ATOM 0 HD11 LEU A 20 -4.785 -11.011 -4.330 1.00 3.12 H new ATOM 0 HD12 LEU A 20 -5.171 -10.868 -2.599 1.00 3.12 H new ATOM 0 HD13 LEU A 20 -5.593 -9.549 -3.716 1.00 3.12 H new ATOM 0 HD21 LEU A 20 -2.962 -9.691 -5.324 1.00 1.24 H new ATOM 0 HD22 LEU A 20 -3.670 -8.160 -4.758 1.00 1.24 H new ATOM 0 HD23 LEU A 20 -1.996 -8.580 -4.323 1.00 1.24 H new ATOM 330 N VAL A 21 -3.842 -8.359 1.563 1.00 30.41 N ATOM 331 CA VAL A 21 -3.860 -7.326 2.604 1.00 71.41 C ATOM 332 C VAL A 21 -3.401 -7.879 3.960 1.00 52.12 C ATOM 333 O VAL A 21 -3.925 -8.878 4.445 1.00 45.22 O ATOM 334 CB VAL A 21 -5.278 -6.712 2.762 1.00 45.44 C ATOM 335 CG1 VAL A 21 -5.325 -5.721 3.927 1.00 72.15 C ATOM 336 CG2 VAL A 21 -5.724 -6.036 1.466 1.00 31.52 C ATOM 0 H VAL A 21 -4.323 -9.221 1.819 1.00 30.41 H new ATOM 0 HA VAL A 21 -3.163 -6.551 2.285 1.00 71.41 H new ATOM 0 HB VAL A 21 -5.969 -7.525 2.983 1.00 45.44 H new ATOM 0 HG11 VAL A 21 -6.330 -5.308 4.013 1.00 72.15 H new ATOM 0 HG12 VAL A 21 -5.064 -6.234 4.852 1.00 72.15 H new ATOM 0 HG13 VAL A 21 -4.615 -4.914 3.747 1.00 72.15 H new ATOM 0 HG21 VAL A 21 -6.720 -5.613 1.600 1.00 31.52 H new ATOM 0 HG22 VAL A 21 -5.024 -5.241 1.211 1.00 31.52 H new ATOM 0 HG23 VAL A 21 -5.747 -6.771 0.662 1.00 31.52 H new ATOM 346 N THR A 22 -2.408 -7.228 4.557 1.00 71.42 N ATOM 347 CA THR A 22 -1.969 -7.559 5.916 1.00 4.25 C ATOM 348 C THR A 22 -2.572 -6.572 6.919 1.00 42.10 C ATOM 349 O THR A 22 -2.125 -5.428 7.029 1.00 61.21 O ATOM 350 CB THR A 22 -0.426 -7.525 6.047 1.00 63.54 C ATOM 351 OG1 THR A 22 0.175 -8.451 5.130 1.00 22.55 O ATOM 352 CG2 THR A 22 0.015 -7.856 7.469 1.00 42.32 C ATOM 0 H THR A 22 -1.888 -6.465 4.123 1.00 71.42 H new ATOM 0 HA THR A 22 -2.313 -8.571 6.128 1.00 4.25 H new ATOM 0 HB THR A 22 -0.096 -6.514 5.808 1.00 63.54 H new ATOM 0 HG1 THR A 22 1.086 -8.658 5.425 1.00 22.55 H new ATOM 0 HG21 THR A 22 1.103 -7.824 7.529 1.00 42.32 H new ATOM 0 HG22 THR A 22 -0.408 -7.127 8.160 1.00 42.32 H new ATOM 0 HG23 THR A 22 -0.334 -8.854 7.735 1.00 42.32 H new ATOM 360 N ASP A 23 -3.599 -7.002 7.635 1.00 60.11 N ATOM 361 CA ASP A 23 -4.278 -6.140 8.603 1.00 12.12 C ATOM 362 C ASP A 23 -3.834 -6.438 10.048 1.00 1.14 C ATOM 363 O ASP A 23 -4.302 -7.386 10.680 1.00 54.45 O ATOM 364 CB ASP A 23 -5.797 -6.293 8.450 1.00 41.03 C ATOM 365 CG ASP A 23 -6.237 -7.745 8.500 1.00 31.35 C ATOM 366 OD1 ASP A 23 -6.102 -8.451 7.478 1.00 11.41 O ATOM 367 OD2 ASP A 23 -6.714 -8.189 9.564 1.00 15.12 O ATOM 0 H ASP A 23 -3.985 -7.944 7.567 1.00 60.11 H new ATOM 0 HA ASP A 23 -3.999 -5.107 8.396 1.00 12.12 H new ATOM 0 HB2 ASP A 23 -6.298 -5.736 9.242 1.00 41.03 H new ATOM 0 HB3 ASP A 23 -6.111 -5.853 7.504 1.00 41.03 H new ATOM 372 N GLU A 24 -2.902 -5.636 10.560 1.00 24.52 N ATOM 373 CA GLU A 24 -2.459 -5.762 11.956 1.00 45.02 C ATOM 374 C GLU A 24 -2.567 -4.423 12.699 1.00 54.21 C ATOM 375 O GLU A 24 -2.793 -4.389 13.910 1.00 13.04 O ATOM 376 CB GLU A 24 -1.027 -6.311 12.028 1.00 64.13 C ATOM 377 CG GLU A 24 -0.868 -7.660 11.334 1.00 4.50 C ATOM 378 CD GLU A 24 0.372 -8.418 11.769 1.00 30.22 C ATOM 379 OE1 GLU A 24 1.467 -8.129 11.257 1.00 3.25 O ATOM 380 OE2 GLU A 24 0.244 -9.310 12.636 1.00 2.33 O ATOM 0 H GLU A 24 -2.438 -4.894 10.036 1.00 24.52 H new ATOM 0 HA GLU A 24 -3.122 -6.472 12.451 1.00 45.02 H new ATOM 0 HB2 GLU A 24 -0.345 -5.592 11.573 1.00 64.13 H new ATOM 0 HB3 GLU A 24 -0.734 -6.410 13.073 1.00 64.13 H new ATOM 0 HG2 GLU A 24 -1.748 -8.271 11.537 1.00 4.50 H new ATOM 0 HG3 GLU A 24 -0.830 -7.504 10.256 1.00 4.50 H new ATOM 387 N ALA A 25 -2.398 -3.318 11.973 1.00 4.13 N ATOM 388 CA ALA A 25 -2.668 -1.983 12.528 1.00 30.15 C ATOM 389 C ALA A 25 -4.129 -1.846 12.998 1.00 54.34 C ATOM 390 O ALA A 25 -4.450 -0.962 13.789 1.00 42.34 O ATOM 391 CB ALA A 25 -2.347 -0.909 11.499 1.00 54.23 C ATOM 0 H ALA A 25 -2.078 -3.316 11.005 1.00 4.13 H new ATOM 0 HA ALA A 25 -2.025 -1.852 13.398 1.00 30.15 H new ATOM 0 HB1 ALA A 25 -2.552 0.074 11.923 1.00 54.23 H new ATOM 0 HB2 ALA A 25 -1.295 -0.973 11.222 1.00 54.23 H new ATOM 0 HB3 ALA A 25 -2.965 -1.058 10.613 1.00 54.23 H new ATOM 397 N GLY A 26 -5.009 -2.721 12.500 1.00 4.12 N ATOM 398 CA GLY A 26 -6.413 -2.712 12.912 1.00 44.54 C ATOM 399 C GLY A 26 -7.144 -1.412 12.575 1.00 55.34 C ATOM 400 O GLY A 26 -7.954 -0.924 13.363 1.00 5.40 O ATOM 0 H GLY A 26 -4.774 -3.440 11.815 1.00 4.12 H new ATOM 0 HA2 GLY A 26 -6.929 -3.544 12.432 1.00 44.54 H new ATOM 0 HA3 GLY A 26 -6.468 -2.881 13.987 1.00 44.54 H new ATOM 404 N LEU A 27 -6.866 -0.861 11.396 1.00 62.13 N ATOM 405 CA LEU A 27 -7.454 0.422 10.979 1.00 21.11 C ATOM 406 C LEU A 27 -8.561 0.236 9.922 1.00 32.22 C ATOM 407 O LEU A 27 -9.207 1.201 9.507 1.00 1.22 O ATOM 408 CB LEU A 27 -6.341 1.327 10.429 1.00 65.21 C ATOM 409 CG LEU A 27 -5.200 1.627 11.418 1.00 34.23 C ATOM 410 CD1 LEU A 27 -4.041 2.332 10.717 1.00 31.24 C ATOM 411 CD2 LEU A 27 -5.708 2.464 12.591 1.00 5.52 C ATOM 0 H LEU A 27 -6.238 -1.278 10.709 1.00 62.13 H new ATOM 0 HA LEU A 27 -7.919 0.884 11.850 1.00 21.11 H new ATOM 0 HB2 LEU A 27 -5.918 0.858 9.540 1.00 65.21 H new ATOM 0 HB3 LEU A 27 -6.784 2.271 10.111 1.00 65.21 H new ATOM 0 HG LEU A 27 -4.833 0.677 11.807 1.00 34.23 H new ATOM 0 HD11 LEU A 27 -3.248 2.533 11.437 1.00 31.24 H new ATOM 0 HD12 LEU A 27 -3.655 1.695 9.921 1.00 31.24 H new ATOM 0 HD13 LEU A 27 -4.391 3.272 10.291 1.00 31.24 H new ATOM 0 HD21 LEU A 27 -4.886 2.665 13.278 1.00 5.52 H new ATOM 0 HD22 LEU A 27 -6.108 3.407 12.219 1.00 5.52 H new ATOM 0 HD23 LEU A 27 -6.493 1.918 13.114 1.00 5.52 H new ATOM 423 N LEU A 28 -8.785 -1.008 9.504 1.00 53.42 N ATOM 424 CA LEU A 28 -9.757 -1.314 8.441 1.00 53.12 C ATOM 425 C LEU A 28 -11.091 -1.839 9.014 1.00 14.44 C ATOM 426 O LEU A 28 -11.288 -1.874 10.230 1.00 30.14 O ATOM 427 CB LEU A 28 -9.158 -2.351 7.475 1.00 2.41 C ATOM 428 CG LEU A 28 -7.873 -1.920 6.740 1.00 43.31 C ATOM 429 CD1 LEU A 28 -7.268 -3.097 5.976 1.00 3.41 C ATOM 430 CD2 LEU A 28 -8.148 -0.752 5.791 1.00 3.11 C ATOM 0 H LEU A 28 -8.308 -1.827 9.882 1.00 53.42 H new ATOM 0 HA LEU A 28 -9.970 -0.388 7.907 1.00 53.12 H new ATOM 0 HB2 LEU A 28 -8.945 -3.261 8.035 1.00 2.41 H new ATOM 0 HB3 LEU A 28 -9.912 -2.604 6.730 1.00 2.41 H new ATOM 0 HG LEU A 28 -7.155 -1.587 7.489 1.00 43.31 H new ATOM 0 HD11 LEU A 28 -6.362 -2.772 5.464 1.00 3.41 H new ATOM 0 HD12 LEU A 28 -7.023 -3.897 6.675 1.00 3.41 H new ATOM 0 HD13 LEU A 28 -7.987 -3.463 5.243 1.00 3.41 H new ATOM 0 HD21 LEU A 28 -7.225 -0.468 5.286 1.00 3.11 H new ATOM 0 HD22 LEU A 28 -8.889 -1.052 5.050 1.00 3.11 H new ATOM 0 HD23 LEU A 28 -8.526 0.098 6.360 1.00 3.11 H new ATOM 442 N SER A 29 -12.001 -2.240 8.126 1.00 12.43 N ATOM 443 CA SER A 29 -13.306 -2.803 8.522 1.00 3.30 C ATOM 444 C SER A 29 -13.900 -3.635 7.380 1.00 45.25 C ATOM 445 O SER A 29 -13.395 -3.588 6.260 1.00 33.42 O ATOM 446 CB SER A 29 -14.283 -1.687 8.918 1.00 71.43 C ATOM 447 OG SER A 29 -15.554 -2.214 9.271 1.00 54.13 O ATOM 0 H SER A 29 -11.862 -2.187 7.117 1.00 12.43 H new ATOM 0 HA SER A 29 -13.147 -3.449 9.385 1.00 3.30 H new ATOM 0 HB2 SER A 29 -13.875 -1.124 9.757 1.00 71.43 H new ATOM 0 HB3 SER A 29 -14.394 -0.988 8.089 1.00 71.43 H new ATOM 0 HG SER A 29 -16.154 -1.481 9.520 1.00 54.13 H new ATOM 453 N ASN A 30 -14.984 -4.369 7.657 1.00 34.40 N ATOM 454 CA ASN A 30 -15.591 -5.292 6.675 1.00 33.51 C ATOM 455 C ASN A 30 -15.717 -4.675 5.268 1.00 50.24 C ATOM 456 O ASN A 30 -15.401 -5.323 4.269 1.00 71.32 O ATOM 457 CB ASN A 30 -16.976 -5.759 7.147 1.00 30.14 C ATOM 458 CG ASN A 30 -16.910 -6.760 8.288 1.00 25.11 C ATOM 459 OD1 ASN A 30 -16.007 -6.728 9.113 1.00 42.13 O ATOM 460 ND2 ASN A 30 -17.863 -7.667 8.335 1.00 45.01 N ATOM 0 H ASN A 30 -15.465 -4.345 8.556 1.00 34.40 H new ATOM 0 HA ASN A 30 -14.914 -6.144 6.605 1.00 33.51 H new ATOM 0 HB2 ASN A 30 -17.556 -4.893 7.465 1.00 30.14 H new ATOM 0 HB3 ASN A 30 -17.507 -6.208 6.308 1.00 30.14 H new ATOM 0 HD21 ASN A 30 -17.862 -8.370 9.074 1.00 45.01 H new ATOM 0 HD22 ASN A 30 -18.602 -7.667 7.632 1.00 45.01 H new ATOM 467 N ALA A 31 -16.188 -3.435 5.190 1.00 1.10 N ATOM 468 CA ALA A 31 -16.329 -2.751 3.900 1.00 3.34 C ATOM 469 C ALA A 31 -14.960 -2.397 3.293 1.00 25.52 C ATOM 470 O ALA A 31 -14.649 -2.805 2.177 1.00 64.43 O ATOM 471 CB ALA A 31 -17.188 -1.501 4.054 1.00 33.44 C ATOM 0 H ALA A 31 -16.478 -2.882 5.996 1.00 1.10 H new ATOM 0 HA ALA A 31 -16.825 -3.436 3.212 1.00 3.34 H new ATOM 0 HB1 ALA A 31 -17.284 -1.004 3.089 1.00 33.44 H new ATOM 0 HB2 ALA A 31 -18.177 -1.781 4.417 1.00 33.44 H new ATOM 0 HB3 ALA A 31 -16.719 -0.823 4.766 1.00 33.44 H new ATOM 477 N GLN A 32 -14.137 -1.661 4.044 1.00 43.41 N ATOM 478 CA GLN A 32 -12.815 -1.227 3.553 1.00 15.21 C ATOM 479 C GLN A 32 -11.955 -2.418 3.095 1.00 24.42 C ATOM 480 O GLN A 32 -11.341 -2.377 2.028 1.00 74.24 O ATOM 481 CB GLN A 32 -12.064 -0.437 4.636 1.00 42.33 C ATOM 482 CG GLN A 32 -12.796 0.813 5.119 1.00 24.13 C ATOM 483 CD GLN A 32 -13.113 1.791 3.997 1.00 41.40 C ATOM 484 OE1 GLN A 32 -14.167 1.719 3.377 1.00 4.14 O ATOM 485 NE2 GLN A 32 -12.211 2.712 3.725 1.00 13.43 N ATOM 0 H GLN A 32 -14.356 -1.351 4.991 1.00 43.41 H new ATOM 0 HA GLN A 32 -12.991 -0.582 2.692 1.00 15.21 H new ATOM 0 HB2 GLN A 32 -11.884 -1.092 5.489 1.00 42.33 H new ATOM 0 HB3 GLN A 32 -11.088 -0.146 4.247 1.00 42.33 H new ATOM 0 HG2 GLN A 32 -13.724 0.517 5.608 1.00 24.13 H new ATOM 0 HG3 GLN A 32 -12.187 1.316 5.870 1.00 24.13 H new ATOM 0 HE21 GLN A 32 -11.342 2.748 4.258 1.00 13.43 H new ATOM 0 HE22 GLN A 32 -12.382 3.389 2.981 1.00 13.43 H new ATOM 494 N GLU A 33 -11.921 -3.474 3.910 1.00 12.13 N ATOM 495 CA GLU A 33 -11.167 -4.690 3.584 1.00 65.50 C ATOM 496 C GLU A 33 -11.700 -5.343 2.301 1.00 71.32 C ATOM 497 O GLU A 33 -10.957 -5.552 1.349 1.00 43.33 O ATOM 498 CB GLU A 33 -11.238 -5.693 4.749 1.00 1.42 C ATOM 499 CG GLU A 33 -10.589 -5.190 6.033 1.00 30.54 C ATOM 500 CD GLU A 33 -10.777 -6.138 7.210 1.00 23.34 C ATOM 501 OE1 GLU A 33 -9.964 -7.071 7.370 1.00 33.13 O ATOM 502 OE2 GLU A 33 -11.737 -5.945 7.988 1.00 41.43 O ATOM 0 H GLU A 33 -12.409 -3.513 4.805 1.00 12.13 H new ATOM 0 HA GLU A 33 -10.128 -4.405 3.420 1.00 65.50 H new ATOM 0 HB2 GLU A 33 -12.283 -5.930 4.949 1.00 1.42 H new ATOM 0 HB3 GLU A 33 -10.753 -6.621 4.447 1.00 1.42 H new ATOM 0 HG2 GLU A 33 -9.523 -5.042 5.860 1.00 30.54 H new ATOM 0 HG3 GLU A 33 -11.009 -4.217 6.288 1.00 30.54 H new ATOM 509 N GLU A 34 -13.001 -5.629 2.276 1.00 3.31 N ATOM 510 CA GLU A 34 -13.640 -6.283 1.123 1.00 72.13 C ATOM 511 C GLU A 34 -13.455 -5.478 -0.179 1.00 73.11 C ATOM 512 O GLU A 34 -13.204 -6.048 -1.247 1.00 31.40 O ATOM 513 CB GLU A 34 -15.133 -6.493 1.417 1.00 55.42 C ATOM 514 CG GLU A 34 -15.942 -7.030 0.241 1.00 60.02 C ATOM 515 CD GLU A 34 -17.380 -7.342 0.620 1.00 14.42 C ATOM 516 OE1 GLU A 34 -18.183 -6.395 0.746 1.00 71.12 O ATOM 517 OE2 GLU A 34 -17.710 -8.532 0.810 1.00 60.40 O ATOM 0 H GLU A 34 -13.640 -5.419 3.043 1.00 3.31 H new ATOM 0 HA GLU A 34 -13.155 -7.247 0.971 1.00 72.13 H new ATOM 0 HB2 GLU A 34 -15.231 -7.184 2.254 1.00 55.42 H new ATOM 0 HB3 GLU A 34 -15.564 -5.544 1.735 1.00 55.42 H new ATOM 0 HG2 GLU A 34 -15.933 -6.298 -0.567 1.00 60.02 H new ATOM 0 HG3 GLU A 34 -15.466 -7.933 -0.141 1.00 60.02 H new ATOM 524 N VAL A 35 -13.585 -4.156 -0.088 1.00 72.32 N ATOM 525 CA VAL A 35 -13.358 -3.282 -1.244 1.00 14.32 C ATOM 526 C VAL A 35 -11.893 -3.350 -1.700 1.00 14.24 C ATOM 527 O VAL A 35 -11.607 -3.567 -2.878 1.00 13.12 O ATOM 528 CB VAL A 35 -13.741 -1.808 -0.935 1.00 24.21 C ATOM 529 CG1 VAL A 35 -13.394 -0.888 -2.108 1.00 3.14 C ATOM 530 CG2 VAL A 35 -15.228 -1.697 -0.596 1.00 4.43 C ATOM 0 H VAL A 35 -13.845 -3.666 0.768 1.00 72.32 H new ATOM 0 HA VAL A 35 -14.001 -3.641 -2.047 1.00 14.32 H new ATOM 0 HB VAL A 35 -13.160 -1.488 -0.070 1.00 24.21 H new ATOM 0 HG11 VAL A 35 -13.674 0.136 -1.862 1.00 3.14 H new ATOM 0 HG12 VAL A 35 -12.323 -0.935 -2.303 1.00 3.14 H new ATOM 0 HG13 VAL A 35 -13.938 -1.209 -2.996 1.00 3.14 H new ATOM 0 HG21 VAL A 35 -15.476 -0.657 -0.383 1.00 4.43 H new ATOM 0 HG22 VAL A 35 -15.821 -2.045 -1.442 1.00 4.43 H new ATOM 0 HG23 VAL A 35 -15.449 -2.309 0.278 1.00 4.43 H new ATOM 540 N MET A 36 -10.968 -3.187 -0.756 1.00 10.14 N ATOM 541 CA MET A 36 -9.534 -3.223 -1.058 1.00 33.40 C ATOM 542 C MET A 36 -9.117 -4.581 -1.654 1.00 1.33 C ATOM 543 O MET A 36 -8.371 -4.631 -2.633 1.00 42.22 O ATOM 544 CB MET A 36 -8.726 -2.919 0.209 1.00 30.24 C ATOM 545 CG MET A 36 -7.222 -2.824 -0.016 1.00 24.43 C ATOM 546 SD MET A 36 -6.337 -2.262 1.451 1.00 31.41 S ATOM 547 CE MET A 36 -7.026 -0.619 1.654 1.00 20.30 C ATOM 0 H MET A 36 -11.185 -3.028 0.228 1.00 10.14 H new ATOM 0 HA MET A 36 -9.325 -2.459 -1.807 1.00 33.40 H new ATOM 0 HB2 MET A 36 -9.078 -1.979 0.634 1.00 30.24 H new ATOM 0 HB3 MET A 36 -8.923 -3.696 0.947 1.00 30.24 H new ATOM 0 HG2 MET A 36 -6.840 -3.800 -0.314 1.00 24.43 H new ATOM 0 HG3 MET A 36 -7.024 -2.139 -0.840 1.00 24.43 H new ATOM 0 HE1 MET A 36 -6.478 -0.089 2.433 1.00 20.30 H new ATOM 0 HE2 MET A 36 -6.943 -0.071 0.715 1.00 20.30 H new ATOM 0 HE3 MET A 36 -8.076 -0.697 1.937 1.00 20.30 H new ATOM 557 N ASN A 37 -9.615 -5.671 -1.071 1.00 23.34 N ATOM 558 CA ASN A 37 -9.347 -7.023 -1.586 1.00 12.11 C ATOM 559 C ASN A 37 -9.823 -7.163 -3.039 1.00 34.22 C ATOM 560 O ASN A 37 -9.118 -7.720 -3.886 1.00 53.31 O ATOM 561 CB ASN A 37 -10.038 -8.086 -0.719 1.00 63.55 C ATOM 562 CG ASN A 37 -9.578 -8.071 0.729 1.00 12.40 C ATOM 563 OD1 ASN A 37 -10.338 -8.388 1.634 1.00 44.53 O ATOM 564 ND2 ASN A 37 -8.331 -7.728 0.963 1.00 33.33 N ATOM 0 H ASN A 37 -10.207 -5.649 -0.241 1.00 23.34 H new ATOM 0 HA ASN A 37 -8.269 -7.178 -1.550 1.00 12.11 H new ATOM 0 HB2 ASN A 37 -11.116 -7.928 -0.752 1.00 63.55 H new ATOM 0 HB3 ASN A 37 -9.847 -9.072 -1.144 1.00 63.55 H new ATOM 0 HD21 ASN A 37 -7.975 -7.722 1.919 1.00 33.33 H new ATOM 0 HD22 ASN A 37 -7.720 -7.468 0.189 1.00 33.33 H new ATOM 571 N GLY A 38 -11.028 -6.661 -3.315 1.00 35.40 N ATOM 572 CA GLY A 38 -11.560 -6.678 -4.673 1.00 0.44 C ATOM 573 C GLY A 38 -10.723 -5.851 -5.644 1.00 33.25 C ATOM 574 O GLY A 38 -10.433 -6.297 -6.757 1.00 22.04 O ATOM 0 H GLY A 38 -11.647 -6.242 -2.621 1.00 35.40 H new ATOM 0 HA2 GLY A 38 -11.608 -7.708 -5.027 1.00 0.44 H new ATOM 0 HA3 GLY A 38 -12.581 -6.296 -4.664 1.00 0.44 H new ATOM 578 N ARG A 39 -10.330 -4.646 -5.214 1.00 14.33 N ATOM 579 CA ARG A 39 -9.452 -3.777 -6.012 1.00 4.22 C ATOM 580 C ARG A 39 -8.155 -4.506 -6.391 1.00 65.02 C ATOM 581 O ARG A 39 -7.812 -4.619 -7.567 1.00 71.41 O ATOM 582 CB ARG A 39 -9.092 -2.501 -5.227 1.00 10.12 C ATOM 583 CG ARG A 39 -10.275 -1.604 -4.854 1.00 11.32 C ATOM 584 CD ARG A 39 -10.911 -0.930 -6.071 1.00 22.25 C ATOM 585 NE ARG A 39 -11.760 -1.842 -6.840 1.00 11.25 N ATOM 586 CZ ARG A 39 -12.155 -1.620 -8.065 1.00 32.32 C ATOM 587 NH1 ARG A 39 -11.748 -0.572 -8.710 1.00 34.04 N ATOM 588 NH2 ARG A 39 -12.952 -2.456 -8.651 1.00 52.05 N ATOM 0 H ARG A 39 -10.606 -4.249 -4.316 1.00 14.33 H new ATOM 0 HA ARG A 39 -9.994 -3.509 -6.919 1.00 4.22 H new ATOM 0 HB2 ARG A 39 -8.575 -2.791 -4.312 1.00 10.12 H new ATOM 0 HB3 ARG A 39 -8.388 -1.917 -5.819 1.00 10.12 H new ATOM 0 HG2 ARG A 39 -11.029 -2.199 -4.338 1.00 11.32 H new ATOM 0 HG3 ARG A 39 -9.939 -0.839 -4.154 1.00 11.32 H new ATOM 0 HD2 ARG A 39 -11.505 -0.078 -5.741 1.00 22.25 H new ATOM 0 HD3 ARG A 39 -10.125 -0.539 -6.717 1.00 22.25 H new ATOM 0 HE ARG A 39 -12.062 -2.706 -6.390 1.00 11.25 H new ATOM 0 HH11 ARG A 39 -11.113 0.088 -8.261 1.00 34.04 H new ATOM 0 HH12 ARG A 39 -12.062 -0.408 -9.666 1.00 34.04 H new ATOM 0 HH21 ARG A 39 -13.272 -3.288 -8.156 1.00 52.05 H new ATOM 0 HH22 ARG A 39 -13.260 -2.282 -9.608 1.00 52.05 H new ATOM 602 N LEU A 40 -7.450 -5.009 -5.379 1.00 22.21 N ATOM 603 CA LEU A 40 -6.159 -5.681 -5.577 1.00 33.31 C ATOM 604 C LEU A 40 -6.290 -6.919 -6.475 1.00 42.34 C ATOM 605 O LEU A 40 -5.477 -7.133 -7.381 1.00 45.40 O ATOM 606 CB LEU A 40 -5.559 -6.069 -4.219 1.00 32.23 C ATOM 607 CG LEU A 40 -5.313 -4.893 -3.260 1.00 11.14 C ATOM 608 CD1 LEU A 40 -4.747 -5.384 -1.932 1.00 64.05 C ATOM 609 CD2 LEU A 40 -4.385 -3.863 -3.895 1.00 31.01 C ATOM 0 H LEU A 40 -7.751 -4.965 -4.405 1.00 22.21 H new ATOM 0 HA LEU A 40 -5.493 -4.982 -6.082 1.00 33.31 H new ATOM 0 HB2 LEU A 40 -6.226 -6.781 -3.734 1.00 32.23 H new ATOM 0 HB3 LEU A 40 -4.613 -6.584 -4.390 1.00 32.23 H new ATOM 0 HG LEU A 40 -6.271 -4.412 -3.062 1.00 11.14 H new ATOM 0 HD11 LEU A 40 -4.581 -4.534 -1.270 1.00 64.05 H new ATOM 0 HD12 LEU A 40 -5.453 -6.073 -1.468 1.00 64.05 H new ATOM 0 HD13 LEU A 40 -3.801 -5.897 -2.107 1.00 64.05 H new ATOM 0 HD21 LEU A 40 -4.225 -3.040 -3.199 1.00 31.01 H new ATOM 0 HD22 LEU A 40 -3.429 -4.331 -4.130 1.00 31.01 H new ATOM 0 HD23 LEU A 40 -4.837 -3.481 -4.810 1.00 31.01 H new ATOM 621 N ARG A 41 -7.318 -7.730 -6.231 1.00 52.41 N ATOM 622 CA ARG A 41 -7.566 -8.912 -7.057 1.00 64.42 C ATOM 623 C ARG A 41 -7.877 -8.511 -8.506 1.00 3.40 C ATOM 624 O ARG A 41 -7.426 -9.162 -9.450 1.00 75.12 O ATOM 625 CB ARG A 41 -8.717 -9.752 -6.491 1.00 75.12 C ATOM 626 CG ARG A 41 -8.903 -11.082 -7.217 1.00 40.14 C ATOM 627 CD ARG A 41 -10.047 -11.900 -6.635 1.00 22.11 C ATOM 628 NE ARG A 41 -11.353 -11.289 -6.875 1.00 20.22 N ATOM 629 CZ ARG A 41 -12.483 -11.806 -6.480 1.00 25.40 C ATOM 630 NH1 ARG A 41 -12.503 -12.920 -5.816 1.00 35.54 N ATOM 631 NH2 ARG A 41 -13.598 -11.212 -6.748 1.00 13.34 N ATOM 0 H ARG A 41 -7.988 -7.593 -5.474 1.00 52.41 H new ATOM 0 HA ARG A 41 -6.658 -9.515 -7.045 1.00 64.42 H new ATOM 0 HB2 ARG A 41 -8.532 -9.945 -5.434 1.00 75.12 H new ATOM 0 HB3 ARG A 41 -9.642 -9.179 -6.554 1.00 75.12 H new ATOM 0 HG2 ARG A 41 -9.094 -10.894 -8.273 1.00 40.14 H new ATOM 0 HG3 ARG A 41 -7.980 -11.658 -7.158 1.00 40.14 H new ATOM 0 HD2 ARG A 41 -10.032 -12.899 -7.070 1.00 22.11 H new ATOM 0 HD3 ARG A 41 -9.896 -12.017 -5.562 1.00 22.11 H new ATOM 0 HE ARG A 41 -11.382 -10.405 -7.382 1.00 20.22 H new ATOM 0 HH11 ARG A 41 -11.630 -13.400 -5.598 1.00 35.54 H new ATOM 0 HH12 ARG A 41 -13.392 -13.316 -5.511 1.00 35.54 H new ATOM 0 HH21 ARG A 41 -13.596 -10.336 -7.270 1.00 13.34 H new ATOM 0 HH22 ARG A 41 -14.480 -11.619 -6.438 1.00 13.34 H new ATOM 645 N ALA A 42 -8.639 -7.430 -8.676 1.00 12.12 N ATOM 646 CA ALA A 42 -8.953 -6.906 -10.010 1.00 33.23 C ATOM 647 C ALA A 42 -7.674 -6.493 -10.755 1.00 74.32 C ATOM 648 O ALA A 42 -7.513 -6.777 -11.944 1.00 71.35 O ATOM 649 CB ALA A 42 -9.906 -5.722 -9.901 1.00 53.12 C ATOM 0 H ALA A 42 -9.051 -6.899 -7.909 1.00 12.12 H new ATOM 0 HA ALA A 42 -9.437 -7.698 -10.581 1.00 33.23 H new ATOM 0 HB1 ALA A 42 -10.131 -5.343 -10.898 1.00 53.12 H new ATOM 0 HB2 ALA A 42 -10.829 -6.041 -9.418 1.00 53.12 H new ATOM 0 HB3 ALA A 42 -9.441 -4.934 -9.309 1.00 53.12 H new ATOM 655 N ILE A 43 -6.764 -5.837 -10.035 1.00 30.24 N ATOM 656 CA ILE A 43 -5.474 -5.419 -10.596 1.00 72.10 C ATOM 657 C ILE A 43 -4.684 -6.619 -11.145 1.00 3.04 C ATOM 658 O ILE A 43 -4.164 -6.577 -12.259 1.00 71.34 O ATOM 659 CB ILE A 43 -4.612 -4.682 -9.540 1.00 23.42 C ATOM 660 CG1 ILE A 43 -5.361 -3.451 -9.007 1.00 65.31 C ATOM 661 CG2 ILE A 43 -3.264 -4.274 -10.135 1.00 34.13 C ATOM 662 CD1 ILE A 43 -4.653 -2.743 -7.871 1.00 12.34 C ATOM 0 H ILE A 43 -6.895 -5.581 -9.056 1.00 30.24 H new ATOM 0 HA ILE A 43 -5.695 -4.735 -11.416 1.00 72.10 H new ATOM 0 HB ILE A 43 -4.426 -5.362 -8.709 1.00 23.42 H new ATOM 0 HG12 ILE A 43 -5.509 -2.746 -9.825 1.00 65.31 H new ATOM 0 HG13 ILE A 43 -6.351 -3.759 -8.669 1.00 65.31 H new ATOM 0 HG21 ILE A 43 -2.673 -3.758 -9.378 1.00 34.13 H new ATOM 0 HG22 ILE A 43 -2.729 -5.163 -10.468 1.00 34.13 H new ATOM 0 HG23 ILE A 43 -3.427 -3.609 -10.983 1.00 34.13 H new ATOM 0 HD11 ILE A 43 -5.245 -1.886 -7.551 1.00 12.34 H new ATOM 0 HD12 ILE A 43 -4.529 -3.431 -7.035 1.00 12.34 H new ATOM 0 HD13 ILE A 43 -3.674 -2.402 -8.208 1.00 12.34 H new ATOM 674 N ARG A 44 -4.597 -7.694 -10.368 1.00 0.54 N ATOM 675 CA ARG A 44 -3.890 -8.897 -10.822 1.00 63.22 C ATOM 676 C ARG A 44 -4.735 -9.722 -11.811 1.00 44.40 C ATOM 677 O ARG A 44 -4.199 -10.484 -12.611 1.00 72.44 O ATOM 678 CB ARG A 44 -3.425 -9.761 -9.645 1.00 4.14 C ATOM 679 CG ARG A 44 -4.542 -10.346 -8.795 1.00 32.41 C ATOM 680 CD ARG A 44 -3.981 -11.250 -7.705 1.00 24.44 C ATOM 681 NE ARG A 44 -3.293 -12.420 -8.254 1.00 34.44 N ATOM 682 CZ ARG A 44 -2.960 -13.477 -7.558 1.00 43.13 C ATOM 683 NH1 ARG A 44 -3.280 -13.579 -6.306 1.00 72.23 N ATOM 684 NH2 ARG A 44 -2.309 -14.439 -8.122 1.00 52.21 N ATOM 0 H ARG A 44 -4.999 -7.762 -9.433 1.00 0.54 H new ATOM 0 HA ARG A 44 -3.002 -8.555 -11.354 1.00 63.22 H new ATOM 0 HB2 ARG A 44 -2.817 -10.579 -10.032 1.00 4.14 H new ATOM 0 HB3 ARG A 44 -2.779 -9.159 -9.005 1.00 4.14 H new ATOM 0 HG2 ARG A 44 -5.120 -9.540 -8.343 1.00 32.41 H new ATOM 0 HG3 ARG A 44 -5.226 -10.913 -9.427 1.00 32.41 H new ATOM 0 HD2 ARG A 44 -3.288 -10.681 -7.085 1.00 24.44 H new ATOM 0 HD3 ARG A 44 -4.792 -11.580 -7.056 1.00 24.44 H new ATOM 0 HE ARG A 44 -3.057 -12.411 -9.246 1.00 34.44 H new ATOM 0 HH11 ARG A 44 -3.799 -12.829 -5.849 1.00 72.23 H new ATOM 0 HH12 ARG A 44 -3.013 -14.409 -5.777 1.00 72.23 H new ATOM 0 HH21 ARG A 44 -2.055 -14.374 -9.108 1.00 52.21 H new ATOM 0 HH22 ARG A 44 -2.048 -15.264 -7.582 1.00 52.21 H new ATOM 698 N SER A 45 -6.054 -9.587 -11.738 1.00 40.41 N ATOM 699 CA SER A 45 -6.953 -10.243 -12.700 1.00 42.33 C ATOM 700 C SER A 45 -6.837 -9.599 -14.091 1.00 52.12 C ATOM 701 O SER A 45 -6.931 -10.280 -15.115 1.00 14.42 O ATOM 702 CB SER A 45 -8.410 -10.165 -12.218 1.00 14.21 C ATOM 703 OG SER A 45 -9.301 -10.747 -13.156 1.00 62.02 O ATOM 0 H SER A 45 -6.531 -9.032 -11.027 1.00 40.41 H new ATOM 0 HA SER A 45 -6.654 -11.289 -12.772 1.00 42.33 H new ATOM 0 HB2 SER A 45 -8.505 -10.676 -11.260 1.00 14.21 H new ATOM 0 HB3 SER A 45 -8.684 -9.123 -12.053 1.00 14.21 H new ATOM 0 HG SER A 45 -10.219 -10.683 -12.819 1.00 62.02 H new ATOM 709 N SER A 46 -6.631 -8.282 -14.113 1.00 20.24 N ATOM 710 CA SER A 46 -6.521 -7.519 -15.369 1.00 73.24 C ATOM 711 C SER A 46 -5.059 -7.318 -15.801 1.00 4.20 C ATOM 712 O SER A 46 -4.673 -7.680 -16.914 1.00 53.34 O ATOM 713 CB SER A 46 -7.192 -6.145 -15.214 1.00 33.40 C ATOM 714 OG SER A 46 -7.081 -5.374 -16.402 1.00 60.53 O ATOM 0 H SER A 46 -6.536 -7.713 -13.272 1.00 20.24 H new ATOM 0 HA SER A 46 -7.025 -8.101 -16.140 1.00 73.24 H new ATOM 0 HB2 SER A 46 -8.244 -6.279 -14.963 1.00 33.40 H new ATOM 0 HB3 SER A 46 -6.733 -5.606 -14.385 1.00 33.40 H new ATOM 0 HG SER A 46 -7.519 -4.507 -16.271 1.00 60.53 H new ATOM 720 N HIS A 47 -4.258 -6.726 -14.915 1.00 30.33 N ATOM 721 CA HIS A 47 -2.860 -6.373 -15.223 1.00 54.23 C ATOM 722 C HIS A 47 -1.860 -7.420 -14.688 1.00 55.01 C ATOM 723 O HIS A 47 -0.680 -7.390 -15.034 1.00 73.00 O ATOM 724 CB HIS A 47 -2.529 -5.004 -14.611 1.00 61.31 C ATOM 725 CG HIS A 47 -3.600 -3.977 -14.819 1.00 15.42 C ATOM 726 ND1 HIS A 47 -3.684 -3.248 -15.977 1.00 50.42 N ATOM 727 CD2 HIS A 47 -4.604 -3.600 -13.989 1.00 54.23 C ATOM 728 CE1 HIS A 47 -4.726 -2.451 -15.831 1.00 52.24 C ATOM 729 NE2 HIS A 47 -5.313 -2.630 -14.643 1.00 13.41 N ATOM 0 H HIS A 47 -4.550 -6.477 -13.970 1.00 30.33 H new ATOM 0 HA HIS A 47 -2.764 -6.343 -16.308 1.00 54.23 H new ATOM 0 HB2 HIS A 47 -2.357 -5.126 -13.542 1.00 61.31 H new ATOM 0 HB3 HIS A 47 -1.598 -4.638 -15.044 1.00 61.31 H new ATOM 0 HD2 HIS A 47 -4.805 -3.990 -13.002 1.00 54.23 H new ATOM 0 HE1 HIS A 47 -5.062 -1.745 -16.576 1.00 52.24 H new ATOM 0 HE2 HIS A 47 -6.134 -2.137 -14.291 1.00 13.41 H new ATOM 737 N ALA A 48 -2.337 -8.321 -13.827 1.00 31.12 N ATOM 738 CA ALA A 48 -1.493 -9.358 -13.203 1.00 20.54 C ATOM 739 C ALA A 48 -0.427 -8.765 -12.267 1.00 71.03 C ATOM 740 O ALA A 48 0.564 -9.420 -11.943 1.00 10.25 O ATOM 741 CB ALA A 48 -0.852 -10.250 -14.264 1.00 71.11 C ATOM 0 H ALA A 48 -3.315 -8.358 -13.539 1.00 31.12 H new ATOM 0 HA ALA A 48 -2.150 -9.970 -12.585 1.00 20.54 H new ATOM 0 HB1 ALA A 48 -0.235 -11.006 -13.779 1.00 71.11 H new ATOM 0 HB2 ALA A 48 -1.632 -10.738 -14.848 1.00 71.11 H new ATOM 0 HB3 ALA A 48 -0.231 -9.643 -14.923 1.00 71.11 H new ATOM 747 N VAL A 49 -0.649 -7.538 -11.806 1.00 75.24 N ATOM 748 CA VAL A 49 0.258 -6.902 -10.845 1.00 63.02 C ATOM 749 C VAL A 49 -0.038 -7.368 -9.413 1.00 32.30 C ATOM 750 O VAL A 49 -1.170 -7.273 -8.936 1.00 52.45 O ATOM 751 CB VAL A 49 0.165 -5.358 -10.914 1.00 51.42 C ATOM 752 CG1 VAL A 49 1.077 -4.700 -9.877 1.00 25.22 C ATOM 753 CG2 VAL A 49 0.503 -4.875 -12.321 1.00 5.33 C ATOM 0 H VAL A 49 -1.446 -6.962 -12.079 1.00 75.24 H new ATOM 0 HA VAL A 49 1.270 -7.204 -11.116 1.00 63.02 H new ATOM 0 HB VAL A 49 -0.859 -5.066 -10.681 1.00 51.42 H new ATOM 0 HG11 VAL A 49 0.989 -3.616 -9.951 1.00 25.22 H new ATOM 0 HG12 VAL A 49 0.783 -5.021 -8.878 1.00 25.22 H new ATOM 0 HG13 VAL A 49 2.110 -4.994 -10.063 1.00 25.22 H new ATOM 0 HG21 VAL A 49 0.435 -3.788 -12.359 1.00 5.33 H new ATOM 0 HG22 VAL A 49 1.516 -5.184 -12.578 1.00 5.33 H new ATOM 0 HG23 VAL A 49 -0.200 -5.308 -13.033 1.00 5.33 H new ATOM 763 N GLU A 50 0.988 -7.874 -8.737 1.00 73.24 N ATOM 764 CA GLU A 50 0.852 -8.351 -7.360 1.00 33.50 C ATOM 765 C GLU A 50 0.989 -7.188 -6.368 1.00 2.31 C ATOM 766 O GLU A 50 2.094 -6.769 -6.023 1.00 50.42 O ATOM 767 CB GLU A 50 1.893 -9.448 -7.088 1.00 3.31 C ATOM 768 CG GLU A 50 1.688 -10.689 -7.958 1.00 61.31 C ATOM 769 CD GLU A 50 2.847 -11.674 -7.895 1.00 10.05 C ATOM 770 OE1 GLU A 50 3.056 -12.289 -6.830 1.00 10.31 O ATOM 771 OE2 GLU A 50 3.537 -11.855 -8.926 1.00 55.30 O ATOM 0 H GLU A 50 1.929 -7.966 -9.120 1.00 73.24 H new ATOM 0 HA GLU A 50 -0.142 -8.778 -7.224 1.00 33.50 H new ATOM 0 HB2 GLU A 50 2.891 -9.047 -7.265 1.00 3.31 H new ATOM 0 HB3 GLU A 50 1.846 -9.735 -6.037 1.00 3.31 H new ATOM 0 HG2 GLU A 50 0.774 -11.195 -7.646 1.00 61.31 H new ATOM 0 HG3 GLU A 50 1.542 -10.378 -8.992 1.00 61.31 H new ATOM 778 N PHE A 51 -0.157 -6.667 -5.938 1.00 20.12 N ATOM 779 CA PHE A 51 -0.227 -5.466 -5.095 1.00 54.33 C ATOM 780 C PHE A 51 -0.599 -5.840 -3.645 1.00 72.40 C ATOM 781 O PHE A 51 -1.751 -6.159 -3.353 1.00 40.41 O ATOM 782 CB PHE A 51 -1.280 -4.520 -5.703 1.00 63.03 C ATOM 783 CG PHE A 51 -1.281 -3.086 -5.206 1.00 23.52 C ATOM 784 CD1 PHE A 51 -0.716 -2.717 -3.989 1.00 24.05 C ATOM 785 CD2 PHE A 51 -1.879 -2.099 -5.978 1.00 50.03 C ATOM 786 CE1 PHE A 51 -0.751 -1.399 -3.564 1.00 3.34 C ATOM 787 CE2 PHE A 51 -1.918 -0.787 -5.556 1.00 74.44 C ATOM 788 CZ PHE A 51 -1.356 -0.435 -4.352 1.00 24.45 C ATOM 0 H PHE A 51 -1.069 -7.064 -6.163 1.00 20.12 H new ATOM 0 HA PHE A 51 0.744 -4.972 -5.063 1.00 54.33 H new ATOM 0 HB2 PHE A 51 -1.139 -4.505 -6.784 1.00 63.03 H new ATOM 0 HB3 PHE A 51 -2.266 -4.945 -5.516 1.00 63.03 H new ATOM 0 HD1 PHE A 51 -0.245 -3.466 -3.369 1.00 24.05 H new ATOM 0 HD2 PHE A 51 -2.322 -2.364 -6.927 1.00 50.03 H new ATOM 0 HE1 PHE A 51 -0.307 -1.124 -2.619 1.00 3.34 H new ATOM 0 HE2 PHE A 51 -2.390 -0.036 -6.172 1.00 74.44 H new ATOM 0 HZ PHE A 51 -1.386 0.593 -4.021 1.00 24.45 H new ATOM 798 N ALA A 52 0.382 -5.797 -2.745 1.00 4.52 N ATOM 799 CA ALA A 52 0.167 -6.190 -1.343 1.00 44.41 C ATOM 800 C ALA A 52 0.074 -4.971 -0.406 1.00 1.42 C ATOM 801 O ALA A 52 1.035 -4.217 -0.257 1.00 30.30 O ATOM 802 CB ALA A 52 1.287 -7.120 -0.889 1.00 11.55 C ATOM 0 H ALA A 52 1.333 -5.495 -2.956 1.00 4.52 H new ATOM 0 HA ALA A 52 -0.788 -6.712 -1.289 1.00 44.41 H new ATOM 0 HB1 ALA A 52 1.123 -7.408 0.149 1.00 11.55 H new ATOM 0 HB2 ALA A 52 1.296 -8.012 -1.516 1.00 11.55 H new ATOM 0 HB3 ALA A 52 2.244 -6.606 -0.976 1.00 11.55 H new ATOM 808 N VAL A 53 -1.084 -4.792 0.232 1.00 42.34 N ATOM 809 CA VAL A 53 -1.293 -3.689 1.182 1.00 15.51 C ATOM 810 C VAL A 53 -1.117 -4.158 2.640 1.00 51.12 C ATOM 811 O VAL A 53 -1.912 -4.940 3.157 1.00 14.21 O ATOM 812 CB VAL A 53 -2.701 -3.060 1.013 1.00 61.30 C ATOM 813 CG1 VAL A 53 -2.911 -1.909 1.998 1.00 43.41 C ATOM 814 CG2 VAL A 53 -2.908 -2.587 -0.426 1.00 13.14 C ATOM 0 H VAL A 53 -1.896 -5.397 0.110 1.00 42.34 H new ATOM 0 HA VAL A 53 -0.537 -2.936 0.960 1.00 15.51 H new ATOM 0 HB VAL A 53 -3.443 -3.827 1.233 1.00 61.30 H new ATOM 0 HG11 VAL A 53 -3.906 -1.487 1.857 1.00 43.41 H new ATOM 0 HG12 VAL A 53 -2.816 -2.281 3.018 1.00 43.41 H new ATOM 0 HG13 VAL A 53 -2.161 -1.138 1.822 1.00 43.41 H new ATOM 0 HG21 VAL A 53 -3.901 -2.149 -0.526 1.00 13.14 H new ATOM 0 HG22 VAL A 53 -2.155 -1.840 -0.675 1.00 13.14 H new ATOM 0 HG23 VAL A 53 -2.816 -3.435 -1.105 1.00 13.14 H new ATOM 824 N VAL A 54 -0.069 -3.668 3.293 1.00 11.24 N ATOM 825 CA VAL A 54 0.259 -4.046 4.676 1.00 4.12 C ATOM 826 C VAL A 54 -0.041 -2.902 5.658 1.00 42.13 C ATOM 827 O VAL A 54 0.152 -1.731 5.336 1.00 3.33 O ATOM 828 CB VAL A 54 1.759 -4.434 4.793 1.00 31.41 C ATOM 829 CG1 VAL A 54 2.120 -4.841 6.222 1.00 33.43 C ATOM 830 CG2 VAL A 54 2.109 -5.548 3.805 1.00 64.24 C ATOM 0 H VAL A 54 0.581 -2.997 2.884 1.00 11.24 H new ATOM 0 HA VAL A 54 -0.364 -4.902 4.934 1.00 4.12 H new ATOM 0 HB VAL A 54 2.350 -3.554 4.541 1.00 31.41 H new ATOM 0 HG11 VAL A 54 3.176 -5.106 6.269 1.00 33.43 H new ATOM 0 HG12 VAL A 54 1.925 -4.008 6.898 1.00 33.43 H new ATOM 0 HG13 VAL A 54 1.517 -5.699 6.519 1.00 33.43 H new ATOM 0 HG21 VAL A 54 3.164 -5.804 3.904 1.00 64.24 H new ATOM 0 HG22 VAL A 54 1.501 -6.427 4.018 1.00 64.24 H new ATOM 0 HG23 VAL A 54 1.912 -5.208 2.788 1.00 64.24 H new ATOM 840 N THR A 55 -0.518 -3.245 6.856 1.00 0.13 N ATOM 841 CA THR A 55 -0.782 -2.248 7.906 1.00 53.40 C ATOM 842 C THR A 55 -0.221 -2.714 9.257 1.00 61.41 C ATOM 843 O THR A 55 -0.595 -3.774 9.762 1.00 74.04 O ATOM 844 CB THR A 55 -2.299 -1.963 8.079 1.00 43.12 C ATOM 845 OG1 THR A 55 -2.981 -3.130 8.572 1.00 52.30 O ATOM 846 CG2 THR A 55 -2.932 -1.524 6.762 1.00 4.35 C ATOM 0 H THR A 55 -0.731 -4.205 7.127 1.00 0.13 H new ATOM 0 HA THR A 55 -0.286 -1.332 7.587 1.00 53.40 H new ATOM 0 HB THR A 55 -2.400 -1.154 8.802 1.00 43.12 H new ATOM 0 HG1 THR A 55 -2.588 -3.933 8.170 1.00 52.30 H new ATOM 0 HG21 THR A 55 -3.994 -1.332 6.915 1.00 4.35 H new ATOM 0 HG22 THR A 55 -2.446 -0.614 6.410 1.00 4.35 H new ATOM 0 HG23 THR A 55 -2.809 -2.312 6.019 1.00 4.35 H new ATOM 854 N LEU A 56 0.658 -1.909 9.850 1.00 31.33 N ATOM 855 CA LEU A 56 1.283 -2.248 11.135 1.00 34.41 C ATOM 856 C LEU A 56 1.124 -1.103 12.154 1.00 74.14 C ATOM 857 O LEU A 56 1.212 0.074 11.794 1.00 73.25 O ATOM 858 CB LEU A 56 2.776 -2.547 10.936 1.00 1.51 C ATOM 859 CG LEU A 56 3.109 -3.659 9.927 1.00 43.32 C ATOM 860 CD1 LEU A 56 4.612 -3.726 9.682 1.00 13.42 C ATOM 861 CD2 LEU A 56 2.594 -5.011 10.413 1.00 42.24 C ATOM 0 H LEU A 56 0.957 -1.014 9.463 1.00 31.33 H new ATOM 0 HA LEU A 56 0.779 -3.133 11.525 1.00 34.41 H new ATOM 0 HB2 LEU A 56 3.271 -1.631 10.614 1.00 1.51 H new ATOM 0 HB3 LEU A 56 3.204 -2.818 11.901 1.00 1.51 H new ATOM 0 HG LEU A 56 2.610 -3.420 8.988 1.00 43.32 H new ATOM 0 HD11 LEU A 56 4.829 -4.518 8.966 1.00 13.42 H new ATOM 0 HD12 LEU A 56 4.959 -2.772 9.284 1.00 13.42 H new ATOM 0 HD13 LEU A 56 5.125 -3.935 10.621 1.00 13.42 H new ATOM 0 HD21 LEU A 56 2.843 -5.780 9.681 1.00 42.24 H new ATOM 0 HD22 LEU A 56 3.059 -5.255 11.368 1.00 42.24 H new ATOM 0 HD23 LEU A 56 1.512 -4.965 10.537 1.00 42.24 H new ATOM 873 N PRO A 57 0.889 -1.429 13.443 1.00 5.43 N ATOM 874 CA PRO A 57 0.736 -0.414 14.502 1.00 34.21 C ATOM 875 C PRO A 57 2.035 0.367 14.782 1.00 2.54 C ATOM 876 O PRO A 57 2.031 1.596 14.835 1.00 11.10 O ATOM 877 CB PRO A 57 0.320 -1.240 15.730 1.00 62.14 C ATOM 878 CG PRO A 57 0.837 -2.614 15.459 1.00 4.13 C ATOM 879 CD PRO A 57 0.741 -2.802 13.968 1.00 13.34 C ATOM 0 HA PRO A 57 0.014 0.353 14.222 1.00 34.21 H new ATOM 0 HB2 PRO A 57 0.747 -0.830 16.645 1.00 62.14 H new ATOM 0 HB3 PRO A 57 -0.763 -1.243 15.857 1.00 62.14 H new ATOM 0 HG2 PRO A 57 1.867 -2.719 15.801 1.00 4.13 H new ATOM 0 HG3 PRO A 57 0.248 -3.364 15.986 1.00 4.13 H new ATOM 0 HD2 PRO A 57 1.524 -3.462 13.594 1.00 13.34 H new ATOM 0 HD3 PRO A 57 -0.213 -3.243 13.679 1.00 13.34 H new ATOM 887 N SER A 58 3.149 -0.347 14.945 1.00 53.22 N ATOM 888 CA SER A 58 4.426 0.294 15.295 1.00 13.41 C ATOM 889 C SER A 58 5.630 -0.550 14.863 1.00 63.43 C ATOM 890 O SER A 58 5.582 -1.777 14.900 1.00 62.01 O ATOM 891 CB SER A 58 4.493 0.554 16.809 1.00 72.03 C ATOM 892 OG SER A 58 4.326 -0.649 17.546 1.00 4.14 O ATOM 0 H SER A 58 3.198 -1.361 14.842 1.00 53.22 H new ATOM 0 HA SER A 58 4.471 1.241 14.757 1.00 13.41 H new ATOM 0 HB2 SER A 58 5.452 1.007 17.060 1.00 72.03 H new ATOM 0 HB3 SER A 58 3.719 1.267 17.092 1.00 72.03 H new ATOM 0 HG SER A 58 4.279 -1.408 16.927 1.00 4.14 H new ATOM 898 N ILE A 59 6.712 0.117 14.451 1.00 23.33 N ATOM 899 CA ILE A 59 7.958 -0.574 14.078 1.00 65.52 C ATOM 900 C ILE A 59 9.155 -0.058 14.895 1.00 12.24 C ATOM 901 O ILE A 59 10.275 -0.558 14.758 1.00 51.44 O ATOM 902 CB ILE A 59 8.273 -0.430 12.565 1.00 73.12 C ATOM 903 CG1 ILE A 59 8.492 1.046 12.186 1.00 63.22 C ATOM 904 CG2 ILE A 59 7.151 -1.043 11.724 1.00 63.55 C ATOM 905 CD1 ILE A 59 8.858 1.260 10.728 1.00 54.23 C ATOM 0 H ILE A 59 6.754 1.133 14.366 1.00 23.33 H new ATOM 0 HA ILE A 59 7.799 -1.629 14.302 1.00 65.52 H new ATOM 0 HB ILE A 59 9.196 -0.971 12.357 1.00 73.12 H new ATOM 0 HG12 ILE A 59 7.584 1.606 12.408 1.00 63.22 H new ATOM 0 HG13 ILE A 59 9.283 1.458 12.813 1.00 63.22 H new ATOM 0 HG21 ILE A 59 7.388 -0.933 10.666 1.00 63.55 H new ATOM 0 HG22 ILE A 59 7.052 -2.101 11.966 1.00 63.55 H new ATOM 0 HG23 ILE A 59 6.213 -0.532 11.941 1.00 63.55 H new ATOM 0 HD11 ILE A 59 8.996 2.325 10.540 1.00 54.23 H new ATOM 0 HD12 ILE A 59 9.783 0.729 10.503 1.00 54.23 H new ATOM 0 HD13 ILE A 59 8.058 0.880 10.093 1.00 54.23 H new ATOM 917 N GLY A 60 8.914 0.950 15.734 1.00 21.35 N ATOM 918 CA GLY A 60 9.963 1.483 16.597 1.00 1.11 C ATOM 919 C GLY A 60 10.896 2.451 15.879 1.00 23.35 C ATOM 920 O GLY A 60 12.120 2.339 15.985 1.00 15.12 O ATOM 0 H GLY A 60 8.009 1.409 15.833 1.00 21.35 H new ATOM 0 HA2 GLY A 60 9.504 1.992 17.444 1.00 1.11 H new ATOM 0 HA3 GLY A 60 10.548 0.656 17.000 1.00 1.11 H new ATOM 924 N ASP A 61 10.312 3.393 15.137 1.00 74.34 N ATOM 925 CA ASP A 61 11.082 4.405 14.391 1.00 63.32 C ATOM 926 C ASP A 61 12.086 3.765 13.407 1.00 1.40 C ATOM 927 O ASP A 61 13.044 4.409 12.969 1.00 10.43 O ATOM 928 CB ASP A 61 11.811 5.336 15.369 1.00 3.11 C ATOM 929 CG ASP A 61 10.847 6.102 16.257 1.00 4.40 C ATOM 930 OD1 ASP A 61 10.232 7.073 15.767 1.00 4.22 O ATOM 931 OD2 ASP A 61 10.706 5.744 17.448 1.00 1.32 O ATOM 0 H ASP A 61 9.301 3.481 15.033 1.00 74.34 H new ATOM 0 HA ASP A 61 10.375 4.984 13.797 1.00 63.32 H new ATOM 0 HB2 ASP A 61 12.487 4.749 15.991 1.00 3.11 H new ATOM 0 HB3 ASP A 61 12.424 6.041 14.808 1.00 3.11 H new ATOM 936 N ALA A 62 11.846 2.501 13.053 1.00 54.25 N ATOM 937 CA ALA A 62 12.711 1.767 12.123 1.00 13.10 C ATOM 938 C ALA A 62 12.611 2.321 10.689 1.00 34.12 C ATOM 939 O ALA A 62 11.575 2.868 10.298 1.00 31.33 O ATOM 940 CB ALA A 62 12.354 0.283 12.149 1.00 3.33 C ATOM 0 H ALA A 62 11.054 1.960 13.399 1.00 54.25 H new ATOM 0 HA ALA A 62 13.743 1.897 12.448 1.00 13.10 H new ATOM 0 HB1 ALA A 62 12.999 -0.259 11.457 1.00 3.33 H new ATOM 0 HB2 ALA A 62 12.495 -0.107 13.157 1.00 3.33 H new ATOM 0 HB3 ALA A 62 11.313 0.154 11.852 1.00 3.33 H new ATOM 946 N PRO A 63 13.687 2.192 9.883 1.00 11.10 N ATOM 947 CA PRO A 63 13.714 2.699 8.494 1.00 70.41 C ATOM 948 C PRO A 63 12.639 2.055 7.592 1.00 2.53 C ATOM 949 O PRO A 63 12.644 0.845 7.354 1.00 63.12 O ATOM 950 CB PRO A 63 15.130 2.338 8.010 1.00 62.15 C ATOM 951 CG PRO A 63 15.577 1.242 8.917 1.00 73.24 C ATOM 952 CD PRO A 63 14.962 1.547 10.252 1.00 63.34 C ATOM 0 HA PRO A 63 13.494 3.766 8.450 1.00 70.41 H new ATOM 0 HB2 PRO A 63 15.121 2.011 6.970 1.00 62.15 H new ATOM 0 HB3 PRO A 63 15.799 3.197 8.069 1.00 62.15 H new ATOM 0 HG2 PRO A 63 15.250 0.270 8.548 1.00 73.24 H new ATOM 0 HG3 PRO A 63 16.664 1.208 8.985 1.00 73.24 H new ATOM 0 HD2 PRO A 63 14.803 0.643 10.840 1.00 63.34 H new ATOM 0 HD3 PRO A 63 15.593 2.208 10.847 1.00 63.34 H new ATOM 960 N LEU A 64 11.719 2.883 7.092 1.00 52.35 N ATOM 961 CA LEU A 64 10.579 2.411 6.293 1.00 74.11 C ATOM 962 C LEU A 64 11.010 1.733 4.975 1.00 15.15 C ATOM 963 O LEU A 64 10.587 0.615 4.676 1.00 53.31 O ATOM 964 CB LEU A 64 9.639 3.589 5.998 1.00 14.43 C ATOM 965 CG LEU A 64 8.365 3.244 5.204 1.00 24.30 C ATOM 966 CD1 LEU A 64 7.521 2.206 5.943 1.00 74.11 C ATOM 967 CD2 LEU A 64 7.549 4.505 4.928 1.00 33.11 C ATOM 0 H LEU A 64 11.740 3.894 7.227 1.00 52.35 H new ATOM 0 HA LEU A 64 10.062 1.652 6.880 1.00 74.11 H new ATOM 0 HB2 LEU A 64 9.344 4.040 6.945 1.00 14.43 H new ATOM 0 HB3 LEU A 64 10.196 4.345 5.445 1.00 14.43 H new ATOM 0 HG LEU A 64 8.667 2.812 4.250 1.00 24.30 H new ATOM 0 HD11 LEU A 64 6.628 1.981 5.360 1.00 74.11 H new ATOM 0 HD12 LEU A 64 8.103 1.295 6.081 1.00 74.11 H new ATOM 0 HD13 LEU A 64 7.229 2.601 6.916 1.00 74.11 H new ATOM 0 HD21 LEU A 64 6.653 4.243 4.366 1.00 33.11 H new ATOM 0 HD22 LEU A 64 7.263 4.967 5.873 1.00 33.11 H new ATOM 0 HD23 LEU A 64 8.148 5.207 4.348 1.00 33.11 H new ATOM 979 N GLU A 65 11.847 2.408 4.188 1.00 74.33 N ATOM 980 CA GLU A 65 12.289 1.870 2.890 1.00 72.15 C ATOM 981 C GLU A 65 13.160 0.612 3.065 1.00 73.44 C ATOM 982 O GLU A 65 13.159 -0.287 2.220 1.00 73.40 O ATOM 983 CB GLU A 65 13.046 2.941 2.079 1.00 64.43 C ATOM 984 CG GLU A 65 14.408 3.345 2.645 1.00 71.34 C ATOM 985 CD GLU A 65 14.325 4.018 4.005 1.00 61.20 C ATOM 986 OE1 GLU A 65 14.055 5.236 4.059 1.00 63.44 O ATOM 987 OE2 GLU A 65 14.528 3.331 5.024 1.00 12.50 O ATOM 0 H GLU A 65 12.234 3.323 4.419 1.00 74.33 H new ATOM 0 HA GLU A 65 11.395 1.583 2.336 1.00 72.15 H new ATOM 0 HB2 GLU A 65 13.188 2.572 1.063 1.00 64.43 H new ATOM 0 HB3 GLU A 65 12.421 3.831 2.010 1.00 64.43 H new ATOM 0 HG2 GLU A 65 15.037 2.458 2.725 1.00 71.34 H new ATOM 0 HG3 GLU A 65 14.898 4.020 1.944 1.00 71.34 H new ATOM 994 N ASP A 66 13.905 0.563 4.166 1.00 63.11 N ATOM 995 CA ASP A 66 14.671 -0.626 4.540 1.00 4.15 C ATOM 996 C ASP A 66 13.731 -1.778 4.948 1.00 75.50 C ATOM 997 O ASP A 66 14.018 -2.958 4.703 1.00 21.23 O ATOM 998 CB ASP A 66 15.629 -0.272 5.685 1.00 61.13 C ATOM 999 CG ASP A 66 16.252 -1.492 6.332 1.00 54.05 C ATOM 1000 OD1 ASP A 66 17.212 -2.054 5.767 1.00 32.42 O ATOM 1001 OD2 ASP A 66 15.772 -1.909 7.405 1.00 55.14 O ATOM 0 H ASP A 66 13.996 1.340 4.821 1.00 63.11 H new ATOM 0 HA ASP A 66 15.250 -0.963 3.680 1.00 4.15 H new ATOM 0 HB2 ASP A 66 16.420 0.374 5.304 1.00 61.13 H new ATOM 0 HB3 ASP A 66 15.089 0.298 6.441 1.00 61.13 H new ATOM 1006 N PHE A 67 12.616 -1.421 5.580 1.00 4.01 N ATOM 1007 CA PHE A 67 11.589 -2.388 5.978 1.00 74.15 C ATOM 1008 C PHE A 67 10.923 -3.021 4.743 1.00 43.13 C ATOM 1009 O PHE A 67 10.909 -4.248 4.590 1.00 71.22 O ATOM 1010 CB PHE A 67 10.535 -1.681 6.850 1.00 35.01 C ATOM 1011 CG PHE A 67 9.549 -2.608 7.517 1.00 51.33 C ATOM 1012 CD1 PHE A 67 8.512 -3.188 6.798 1.00 14.30 C ATOM 1013 CD2 PHE A 67 9.657 -2.891 8.871 1.00 53.22 C ATOM 1014 CE1 PHE A 67 7.612 -4.032 7.414 1.00 73.30 C ATOM 1015 CE2 PHE A 67 8.757 -3.735 9.490 1.00 73.22 C ATOM 1016 CZ PHE A 67 7.735 -4.306 8.761 1.00 52.42 C ATOM 0 H PHE A 67 12.396 -0.457 5.831 1.00 4.01 H new ATOM 0 HA PHE A 67 12.059 -3.187 6.551 1.00 74.15 H new ATOM 0 HB2 PHE A 67 11.047 -1.102 7.619 1.00 35.01 H new ATOM 0 HB3 PHE A 67 9.986 -0.972 6.230 1.00 35.01 H new ATOM 0 HD1 PHE A 67 8.409 -2.976 5.744 1.00 14.30 H new ATOM 0 HD2 PHE A 67 10.454 -2.446 9.447 1.00 53.22 H new ATOM 0 HE1 PHE A 67 6.811 -4.478 6.843 1.00 73.30 H new ATOM 0 HE2 PHE A 67 8.853 -3.948 10.544 1.00 73.22 H new ATOM 0 HZ PHE A 67 7.031 -4.967 9.244 1.00 52.42 H new ATOM 1026 N THR A 68 10.379 -2.173 3.866 1.00 42.44 N ATOM 1027 CA THR A 68 9.675 -2.633 2.657 1.00 3.31 C ATOM 1028 C THR A 68 10.567 -3.518 1.781 1.00 5.22 C ATOM 1029 O THR A 68 10.124 -4.545 1.272 1.00 73.41 O ATOM 1030 CB THR A 68 9.168 -1.447 1.800 1.00 62.54 C ATOM 1031 OG1 THR A 68 10.269 -0.622 1.393 1.00 35.02 O ATOM 1032 CG2 THR A 68 8.158 -0.601 2.568 1.00 71.01 C ATOM 0 H THR A 68 10.411 -1.159 3.968 1.00 42.44 H new ATOM 0 HA THR A 68 8.823 -3.214 3.011 1.00 3.31 H new ATOM 0 HB THR A 68 8.676 -1.861 0.920 1.00 62.54 H new ATOM 0 HG1 THR A 68 10.440 -0.753 0.437 1.00 35.02 H new ATOM 0 HG21 THR A 68 7.821 0.223 1.939 1.00 71.01 H new ATOM 0 HG22 THR A 68 7.304 -1.218 2.846 1.00 71.01 H new ATOM 0 HG23 THR A 68 8.626 -0.203 3.468 1.00 71.01 H new ATOM 1040 N LEU A 69 11.824 -3.112 1.616 1.00 51.34 N ATOM 1041 CA LEU A 69 12.790 -3.860 0.800 1.00 3.41 C ATOM 1042 C LEU A 69 12.880 -5.340 1.225 1.00 20.01 C ATOM 1043 O LEU A 69 12.729 -6.245 0.403 1.00 25.53 O ATOM 1044 CB LEU A 69 14.172 -3.195 0.890 1.00 73.45 C ATOM 1045 CG LEU A 69 15.279 -3.842 0.043 1.00 2.23 C ATOM 1046 CD1 LEU A 69 14.918 -3.812 -1.441 1.00 62.43 C ATOM 1047 CD2 LEU A 69 16.616 -3.148 0.291 1.00 22.44 C ATOM 0 H LEU A 69 12.203 -2.264 2.038 1.00 51.34 H new ATOM 0 HA LEU A 69 12.441 -3.840 -0.233 1.00 3.41 H new ATOM 0 HB2 LEU A 69 14.073 -2.152 0.590 1.00 73.45 H new ATOM 0 HB3 LEU A 69 14.489 -3.198 1.933 1.00 73.45 H new ATOM 0 HG LEU A 69 15.373 -4.885 0.344 1.00 2.23 H new ATOM 0 HD11 LEU A 69 15.717 -4.276 -2.019 1.00 62.43 H new ATOM 0 HD12 LEU A 69 13.989 -4.360 -1.601 1.00 62.43 H new ATOM 0 HD13 LEU A 69 14.789 -2.779 -1.763 1.00 62.43 H new ATOM 0 HD21 LEU A 69 17.389 -3.619 -0.317 1.00 22.44 H new ATOM 0 HD22 LEU A 69 16.535 -2.095 0.022 1.00 22.44 H new ATOM 0 HD23 LEU A 69 16.881 -3.234 1.345 1.00 22.44 H new ATOM 1059 N LYS A 70 13.116 -5.579 2.516 1.00 53.14 N ATOM 1060 CA LYS A 70 13.245 -6.949 3.034 1.00 21.13 C ATOM 1061 C LYS A 70 11.899 -7.694 3.057 1.00 11.34 C ATOM 1062 O LYS A 70 11.845 -8.899 2.799 1.00 75.10 O ATOM 1063 CB LYS A 70 13.878 -6.939 4.433 1.00 33.13 C ATOM 1064 CG LYS A 70 15.365 -6.584 4.428 1.00 33.40 C ATOM 1065 CD LYS A 70 15.998 -6.731 5.811 1.00 75.21 C ATOM 1066 CE LYS A 70 15.436 -5.727 6.809 1.00 21.14 C ATOM 1067 NZ LYS A 70 15.706 -4.327 6.393 1.00 15.15 N ATOM 0 H LYS A 70 13.222 -4.849 3.221 1.00 53.14 H new ATOM 0 HA LYS A 70 13.900 -7.490 2.351 1.00 21.13 H new ATOM 0 HB2 LYS A 70 13.344 -6.224 5.059 1.00 33.13 H new ATOM 0 HB3 LYS A 70 13.749 -7.921 4.888 1.00 33.13 H new ATOM 0 HG2 LYS A 70 15.888 -7.228 3.721 1.00 33.40 H new ATOM 0 HG3 LYS A 70 15.491 -5.559 4.080 1.00 33.40 H new ATOM 0 HD2 LYS A 70 15.829 -7.742 6.181 1.00 75.21 H new ATOM 0 HD3 LYS A 70 17.077 -6.597 5.731 1.00 75.21 H new ATOM 0 HE2 LYS A 70 14.361 -5.876 6.908 1.00 21.14 H new ATOM 0 HE3 LYS A 70 15.875 -5.906 7.791 1.00 21.14 H new ATOM 0 HZ1 LYS A 70 15.626 -3.698 7.218 1.00 15.15 H new ATOM 0 HZ2 LYS A 70 16.666 -4.261 5.999 1.00 15.15 H new ATOM 0 HZ3 LYS A 70 15.015 -4.040 5.671 1.00 15.15 H new ATOM 1081 N LEU A 71 10.814 -6.982 3.371 1.00 63.11 N ATOM 1082 CA LEU A 71 9.474 -7.587 3.389 1.00 51.43 C ATOM 1083 C LEU A 71 9.038 -8.018 1.979 1.00 13.33 C ATOM 1084 O LEU A 71 8.409 -9.059 1.797 1.00 1.14 O ATOM 1085 CB LEU A 71 8.451 -6.605 3.982 1.00 21.32 C ATOM 1086 CG LEU A 71 7.007 -7.134 4.083 1.00 72.13 C ATOM 1087 CD1 LEU A 71 6.945 -8.382 4.961 1.00 31.45 C ATOM 1088 CD2 LEU A 71 6.071 -6.053 4.618 1.00 75.11 C ATOM 0 H LEU A 71 10.833 -5.992 3.615 1.00 63.11 H new ATOM 0 HA LEU A 71 9.518 -8.477 4.017 1.00 51.43 H new ATOM 0 HB2 LEU A 71 8.785 -6.317 4.979 1.00 21.32 H new ATOM 0 HB3 LEU A 71 8.447 -5.700 3.374 1.00 21.32 H new ATOM 0 HG LEU A 71 6.677 -7.407 3.081 1.00 72.13 H new ATOM 0 HD11 LEU A 71 5.916 -8.737 5.017 1.00 31.45 H new ATOM 0 HD12 LEU A 71 7.574 -9.161 4.531 1.00 31.45 H new ATOM 0 HD13 LEU A 71 7.300 -8.140 5.963 1.00 31.45 H new ATOM 0 HD21 LEU A 71 5.057 -6.448 4.681 1.00 75.11 H new ATOM 0 HD22 LEU A 71 6.402 -5.743 5.609 1.00 75.11 H new ATOM 0 HD23 LEU A 71 6.085 -5.195 3.946 1.00 75.11 H new ATOM 1100 N ALA A 72 9.393 -7.215 0.982 1.00 34.44 N ATOM 1101 CA ALA A 72 9.063 -7.522 -0.410 1.00 21.40 C ATOM 1102 C ALA A 72 9.826 -8.762 -0.914 1.00 74.33 C ATOM 1103 O ALA A 72 9.263 -9.609 -1.612 1.00 50.52 O ATOM 1104 CB ALA A 72 9.362 -6.315 -1.294 1.00 42.12 C ATOM 0 H ALA A 72 9.910 -6.345 1.109 1.00 34.44 H new ATOM 0 HA ALA A 72 7.998 -7.750 -0.462 1.00 21.40 H new ATOM 0 HB1 ALA A 72 9.114 -6.551 -2.329 1.00 42.12 H new ATOM 0 HB2 ALA A 72 8.766 -5.465 -0.963 1.00 42.12 H new ATOM 0 HB3 ALA A 72 10.421 -6.065 -1.223 1.00 42.12 H new ATOM 1110 N ARG A 73 11.111 -8.864 -0.559 1.00 62.33 N ATOM 1111 CA ARG A 73 11.950 -9.994 -0.998 1.00 4.55 C ATOM 1112 C ARG A 73 11.387 -11.347 -0.544 1.00 54.11 C ATOM 1113 O ARG A 73 11.253 -12.273 -1.346 1.00 20.32 O ATOM 1114 CB ARG A 73 13.391 -9.851 -0.486 1.00 4.22 C ATOM 1115 CG ARG A 73 14.198 -8.748 -1.162 1.00 45.14 C ATOM 1116 CD ARG A 73 15.686 -8.859 -0.833 1.00 14.11 C ATOM 1117 NE ARG A 73 15.958 -8.682 0.594 1.00 34.43 N ATOM 1118 CZ ARG A 73 16.174 -9.656 1.442 1.00 33.22 C ATOM 1119 NH1 ARG A 73 16.106 -10.892 1.066 1.00 2.42 N ATOM 1120 NH2 ARG A 73 16.458 -9.382 2.670 1.00 21.53 N ATOM 0 H ARG A 73 11.595 -8.184 0.028 1.00 62.33 H new ATOM 0 HA ARG A 73 11.947 -9.968 -2.088 1.00 4.55 H new ATOM 0 HB2 ARG A 73 13.364 -9.658 0.586 1.00 4.22 H new ATOM 0 HB3 ARG A 73 13.908 -10.800 -0.627 1.00 4.22 H new ATOM 0 HG2 ARG A 73 14.058 -8.803 -2.242 1.00 45.14 H new ATOM 0 HG3 ARG A 73 13.825 -7.775 -0.842 1.00 45.14 H new ATOM 0 HD2 ARG A 73 16.054 -9.834 -1.152 1.00 14.11 H new ATOM 0 HD3 ARG A 73 16.237 -8.109 -1.401 1.00 14.11 H new ATOM 0 HE ARG A 73 15.981 -7.728 0.955 1.00 34.43 H new ATOM 0 HH11 ARG A 73 15.882 -11.119 0.097 1.00 2.42 H new ATOM 0 HH12 ARG A 73 16.277 -11.640 1.738 1.00 2.42 H new ATOM 0 HH21 ARG A 73 16.513 -8.411 2.976 1.00 21.53 H new ATOM 0 HH22 ARG A 73 16.627 -10.137 3.335 1.00 21.53 H new ATOM 1134 N GLN A 74 11.058 -11.456 0.742 1.00 55.34 N ATOM 1135 CA GLN A 74 10.560 -12.715 1.313 1.00 71.20 C ATOM 1136 C GLN A 74 9.202 -13.129 0.711 1.00 34.14 C ATOM 1137 O GLN A 74 8.770 -14.271 0.870 1.00 51.32 O ATOM 1138 CB GLN A 74 10.447 -12.597 2.840 1.00 22.45 C ATOM 1139 CG GLN A 74 9.505 -11.495 3.305 1.00 12.52 C ATOM 1140 CD GLN A 74 9.347 -11.457 4.812 1.00 52.14 C ATOM 1141 OE1 GLN A 74 8.480 -12.114 5.372 1.00 30.41 O ATOM 1142 NE2 GLN A 74 10.184 -10.690 5.482 1.00 1.33 N ATOM 0 H GLN A 74 11.126 -10.690 1.412 1.00 55.34 H new ATOM 0 HA GLN A 74 11.280 -13.493 1.061 1.00 71.20 H new ATOM 0 HB2 GLN A 74 10.104 -13.549 3.244 1.00 22.45 H new ATOM 0 HB3 GLN A 74 11.438 -12.413 3.255 1.00 22.45 H new ATOM 0 HG2 GLN A 74 9.880 -10.532 2.959 1.00 12.52 H new ATOM 0 HG3 GLN A 74 8.528 -11.640 2.845 1.00 12.52 H new ATOM 0 HE21 GLN A 74 10.896 -10.155 4.984 1.00 1.33 H new ATOM 0 HE22 GLN A 74 10.120 -10.632 6.498 1.00 1.33 H new ATOM 1151 N TRP A 75 8.530 -12.192 0.035 1.00 11.13 N ATOM 1152 CA TRP A 75 7.256 -12.478 -0.646 1.00 75.15 C ATOM 1153 C TRP A 75 7.446 -12.610 -2.170 1.00 62.22 C ATOM 1154 O TRP A 75 6.480 -12.567 -2.931 1.00 41.12 O ATOM 1155 CB TRP A 75 6.230 -11.374 -0.342 1.00 72.24 C ATOM 1156 CG TRP A 75 5.808 -11.300 1.101 1.00 12.30 C ATOM 1157 CD1 TRP A 75 6.230 -12.093 2.132 1.00 63.42 C ATOM 1158 CD2 TRP A 75 4.867 -10.380 1.667 1.00 4.33 C ATOM 1159 NE1 TRP A 75 5.617 -11.715 3.301 1.00 61.32 N ATOM 1160 CE2 TRP A 75 4.773 -10.669 3.041 1.00 73.53 C ATOM 1161 CE3 TRP A 75 4.095 -9.338 1.145 1.00 54.01 C ATOM 1162 CZ2 TRP A 75 3.944 -9.953 3.898 1.00 40.22 C ATOM 1163 CZ3 TRP A 75 3.270 -8.629 1.999 1.00 44.03 C ATOM 1164 CH2 TRP A 75 3.199 -8.941 3.362 1.00 31.33 C ATOM 0 H TRP A 75 8.845 -11.226 -0.057 1.00 11.13 H new ATOM 0 HA TRP A 75 6.886 -13.431 -0.267 1.00 75.15 H new ATOM 0 HB2 TRP A 75 6.651 -10.412 -0.635 1.00 72.24 H new ATOM 0 HB3 TRP A 75 5.346 -11.536 -0.959 1.00 72.24 H new ATOM 0 HD1 TRP A 75 6.942 -12.900 2.040 1.00 63.42 H new ATOM 0 HE1 TRP A 75 5.766 -12.144 4.214 1.00 61.32 H new ATOM 0 HE3 TRP A 75 4.142 -9.091 0.095 1.00 54.01 H new ATOM 0 HZ2 TRP A 75 3.891 -10.189 4.951 1.00 40.22 H new ATOM 0 HZ3 TRP A 75 2.670 -7.821 1.608 1.00 44.03 H new ATOM 0 HH2 TRP A 75 2.542 -8.371 4.002 1.00 31.33 H new ATOM 1175 N GLY A 76 8.693 -12.760 -2.612 1.00 54.05 N ATOM 1176 CA GLY A 76 8.974 -12.939 -4.038 1.00 13.23 C ATOM 1177 C GLY A 76 8.998 -11.629 -4.828 1.00 64.21 C ATOM 1178 O GLY A 76 9.971 -11.335 -5.521 1.00 11.01 O ATOM 0 H GLY A 76 9.518 -12.762 -2.012 1.00 54.05 H new ATOM 0 HA2 GLY A 76 9.936 -13.438 -4.150 1.00 13.23 H new ATOM 0 HA3 GLY A 76 8.220 -13.599 -4.468 1.00 13.23 H new ATOM 1182 N VAL A 77 7.927 -10.843 -4.714 1.00 10.05 N ATOM 1183 CA VAL A 77 7.772 -9.586 -5.464 1.00 63.11 C ATOM 1184 C VAL A 77 8.978 -8.632 -5.323 1.00 44.05 C ATOM 1185 O VAL A 77 9.250 -7.829 -6.215 1.00 63.41 O ATOM 1186 CB VAL A 77 6.485 -8.850 -5.024 1.00 0.42 C ATOM 1187 CG1 VAL A 77 5.249 -9.665 -5.401 1.00 55.35 C ATOM 1188 CG2 VAL A 77 6.511 -8.551 -3.523 1.00 72.50 C ATOM 0 H VAL A 77 7.140 -11.055 -4.101 1.00 10.05 H new ATOM 0 HA VAL A 77 7.708 -9.870 -6.514 1.00 63.11 H new ATOM 0 HB VAL A 77 6.438 -7.897 -5.550 1.00 0.42 H new ATOM 0 HG11 VAL A 77 4.352 -9.133 -5.084 1.00 55.35 H new ATOM 0 HG12 VAL A 77 5.223 -9.809 -6.481 1.00 55.35 H new ATOM 0 HG13 VAL A 77 5.289 -10.636 -4.907 1.00 55.35 H new ATOM 0 HG21 VAL A 77 5.595 -8.033 -3.239 1.00 72.50 H new ATOM 0 HG22 VAL A 77 6.587 -9.486 -2.967 1.00 72.50 H new ATOM 0 HG23 VAL A 77 7.370 -7.921 -3.292 1.00 72.50 H new ATOM 1198 N GLY A 78 9.697 -8.724 -4.210 1.00 63.21 N ATOM 1199 CA GLY A 78 10.852 -7.857 -3.992 1.00 41.33 C ATOM 1200 C GLY A 78 12.188 -8.508 -4.337 1.00 62.13 C ATOM 1201 O GLY A 78 13.209 -7.824 -4.406 1.00 73.44 O ATOM 0 H GLY A 78 9.506 -9.380 -3.453 1.00 63.21 H new ATOM 0 HA2 GLY A 78 10.734 -6.954 -4.591 1.00 41.33 H new ATOM 0 HA3 GLY A 78 10.869 -7.547 -2.947 1.00 41.33 H new ATOM 1205 N ASN A 79 12.191 -9.826 -4.552 1.00 70.23 N ATOM 1206 CA ASN A 79 13.424 -10.542 -4.909 1.00 11.43 C ATOM 1207 C ASN A 79 14.009 -9.963 -6.204 1.00 32.30 C ATOM 1208 O ASN A 79 13.436 -10.142 -7.281 1.00 51.54 O ATOM 1209 CB ASN A 79 13.151 -12.044 -5.066 1.00 12.15 C ATOM 1210 CG ASN A 79 14.424 -12.847 -5.281 1.00 71.24 C ATOM 1211 OD1 ASN A 79 15.069 -13.274 -4.329 1.00 74.50 O ATOM 1212 ND2 ASN A 79 14.794 -13.058 -6.527 1.00 43.12 N ATOM 0 H ASN A 79 11.362 -10.417 -4.487 1.00 70.23 H new ATOM 0 HA ASN A 79 14.149 -10.412 -4.106 1.00 11.43 H new ATOM 0 HB2 ASN A 79 12.639 -12.412 -4.177 1.00 12.15 H new ATOM 0 HB3 ASN A 79 12.479 -12.202 -5.909 1.00 12.15 H new ATOM 0 HD21 ASN A 79 15.641 -13.591 -6.724 1.00 43.12 H new ATOM 0 HD22 ASN A 79 14.234 -12.688 -7.295 1.00 43.12 H new ATOM 1219 N GLU A 80 15.143 -9.262 -6.074 1.00 11.32 N ATOM 1220 CA GLU A 80 15.755 -8.482 -7.169 1.00 32.05 C ATOM 1221 C GLU A 80 14.709 -7.688 -7.977 1.00 0.32 C ATOM 1222 O GLU A 80 14.872 -7.453 -9.177 1.00 15.12 O ATOM 1223 CB GLU A 80 16.614 -9.371 -8.085 1.00 60.15 C ATOM 1224 CG GLU A 80 15.853 -10.459 -8.836 1.00 55.24 C ATOM 1225 CD GLU A 80 16.760 -11.313 -9.701 1.00 20.11 C ATOM 1226 OE1 GLU A 80 17.213 -10.823 -10.755 1.00 55.12 O ATOM 1227 OE2 GLU A 80 17.033 -12.475 -9.329 1.00 53.51 O ATOM 0 H GLU A 80 15.669 -9.217 -5.201 1.00 11.32 H new ATOM 0 HA GLU A 80 16.416 -7.752 -6.702 1.00 32.05 H new ATOM 0 HB2 GLU A 80 17.118 -8.735 -8.812 1.00 60.15 H new ATOM 0 HB3 GLU A 80 17.390 -9.843 -7.482 1.00 60.15 H new ATOM 0 HG2 GLU A 80 15.335 -11.096 -8.119 1.00 55.24 H new ATOM 0 HG3 GLU A 80 15.089 -9.997 -9.462 1.00 55.24 H new ATOM 1234 N LYS A 81 13.659 -7.248 -7.273 1.00 11.23 N ATOM 1235 CA LYS A 81 12.576 -6.443 -7.852 1.00 70.53 C ATOM 1236 C LYS A 81 11.798 -7.194 -8.948 1.00 74.32 C ATOM 1237 O LYS A 81 12.012 -6.977 -10.140 1.00 14.44 O ATOM 1238 CB LYS A 81 13.107 -5.096 -8.383 1.00 1.14 C ATOM 1239 CG LYS A 81 13.476 -4.098 -7.283 1.00 14.03 C ATOM 1240 CD LYS A 81 14.746 -4.494 -6.531 1.00 12.13 C ATOM 1241 CE LYS A 81 14.979 -3.608 -5.308 1.00 64.44 C ATOM 1242 NZ LYS A 81 14.987 -2.159 -5.650 1.00 33.41 N ATOM 0 H LYS A 81 13.536 -7.442 -6.279 1.00 11.23 H new ATOM 0 HA LYS A 81 11.872 -6.245 -7.044 1.00 70.53 H new ATOM 0 HB2 LYS A 81 13.985 -5.281 -9.001 1.00 1.14 H new ATOM 0 HB3 LYS A 81 12.351 -4.648 -9.028 1.00 1.14 H new ATOM 0 HG2 LYS A 81 13.613 -3.111 -7.724 1.00 14.03 H new ATOM 0 HG3 LYS A 81 12.650 -4.020 -6.577 1.00 14.03 H new ATOM 0 HD2 LYS A 81 14.673 -5.535 -6.217 1.00 12.13 H new ATOM 0 HD3 LYS A 81 15.603 -4.422 -7.201 1.00 12.13 H new ATOM 0 HE2 LYS A 81 14.200 -3.800 -4.570 1.00 64.44 H new ATOM 0 HE3 LYS A 81 15.929 -3.875 -4.845 1.00 64.44 H new ATOM 0 HZ1 LYS A 81 15.265 -1.607 -4.814 1.00 33.41 H new ATOM 0 HZ2 LYS A 81 15.665 -1.988 -6.420 1.00 33.41 H new ATOM 0 HZ3 LYS A 81 14.036 -1.869 -5.956 1.00 33.41 H new ATOM 1256 N ASN A 82 10.877 -8.061 -8.527 1.00 35.44 N ATOM 1257 CA ASN A 82 10.043 -8.830 -9.458 1.00 53.00 C ATOM 1258 C ASN A 82 9.200 -7.896 -10.345 1.00 41.23 C ATOM 1259 O ASN A 82 8.517 -7.003 -9.847 1.00 73.50 O ATOM 1260 CB ASN A 82 9.137 -9.784 -8.671 1.00 11.21 C ATOM 1261 CG ASN A 82 8.235 -10.622 -9.556 1.00 24.05 C ATOM 1262 OD1 ASN A 82 8.559 -10.908 -10.703 1.00 30.43 O ATOM 1263 ND2 ASN A 82 7.098 -11.026 -9.027 1.00 32.11 N ATOM 0 H ASN A 82 10.687 -8.251 -7.543 1.00 35.44 H new ATOM 0 HA ASN A 82 10.694 -9.411 -10.111 1.00 53.00 H new ATOM 0 HB2 ASN A 82 9.757 -10.446 -8.066 1.00 11.21 H new ATOM 0 HB3 ASN A 82 8.522 -9.205 -7.982 1.00 11.21 H new ATOM 0 HD21 ASN A 82 6.454 -11.596 -9.576 1.00 32.11 H new ATOM 0 HD22 ASN A 82 6.861 -10.769 -8.069 1.00 32.11 H new ATOM 1270 N ASN A 83 9.240 -8.133 -11.659 1.00 43.25 N ATOM 1271 CA ASN A 83 8.634 -7.230 -12.656 1.00 60.14 C ATOM 1272 C ASN A 83 7.251 -6.662 -12.242 1.00 52.40 C ATOM 1273 O ASN A 83 7.093 -5.447 -12.109 1.00 43.14 O ATOM 1274 CB ASN A 83 8.539 -7.935 -14.022 1.00 22.52 C ATOM 1275 CG ASN A 83 7.615 -9.147 -14.033 1.00 74.24 C ATOM 1276 OD1 ASN A 83 6.994 -9.452 -15.043 1.00 21.44 O ATOM 1277 ND2 ASN A 83 7.513 -9.850 -12.919 1.00 72.32 N ATOM 0 H ASN A 83 9.691 -8.952 -12.066 1.00 43.25 H new ATOM 0 HA ASN A 83 9.298 -6.368 -12.724 1.00 60.14 H new ATOM 0 HB2 ASN A 83 8.190 -7.218 -14.765 1.00 22.52 H new ATOM 0 HB3 ASN A 83 9.537 -8.250 -14.327 1.00 22.52 H new ATOM 0 HD21 ASN A 83 6.906 -10.669 -12.886 1.00 72.32 H new ATOM 0 HD22 ASN A 83 8.042 -9.574 -12.092 1.00 72.32 H new ATOM 1284 N ASN A 84 6.266 -7.530 -12.025 1.00 13.31 N ATOM 1285 CA ASN A 84 4.888 -7.095 -11.744 1.00 32.34 C ATOM 1286 C ASN A 84 4.601 -7.025 -10.232 1.00 52.34 C ATOM 1287 O ASN A 84 3.447 -7.107 -9.807 1.00 54.30 O ATOM 1288 CB ASN A 84 3.906 -8.059 -12.425 1.00 42.11 C ATOM 1289 CG ASN A 84 3.970 -9.456 -11.835 1.00 43.32 C ATOM 1290 OD1 ASN A 84 4.797 -10.276 -12.221 1.00 11.43 O ATOM 1291 ND2 ASN A 84 3.088 -9.737 -10.900 1.00 62.43 N ATOM 0 H ASN A 84 6.391 -8.542 -12.037 1.00 13.31 H new ATOM 0 HA ASN A 84 4.762 -6.088 -12.142 1.00 32.34 H new ATOM 0 HB2 ASN A 84 2.892 -7.671 -12.327 1.00 42.11 H new ATOM 0 HB3 ASN A 84 4.127 -8.107 -13.491 1.00 42.11 H new ATOM 0 HD21 ASN A 84 3.077 -10.662 -10.471 1.00 62.43 H new ATOM 0 HD22 ASN A 84 2.415 -9.030 -10.604 1.00 62.43 H new ATOM 1298 N GLY A 85 5.647 -6.858 -9.429 1.00 61.24 N ATOM 1299 CA GLY A 85 5.485 -6.830 -7.977 1.00 72.30 C ATOM 1300 C GLY A 85 5.357 -5.419 -7.404 1.00 14.24 C ATOM 1301 O GLY A 85 6.080 -4.506 -7.812 1.00 1.23 O ATOM 0 H GLY A 85 6.607 -6.741 -9.753 1.00 61.24 H new ATOM 0 HA2 GLY A 85 4.599 -7.405 -7.707 1.00 72.30 H new ATOM 0 HA3 GLY A 85 6.339 -7.325 -7.515 1.00 72.30 H new ATOM 1305 N LEU A 86 4.432 -5.244 -6.457 1.00 74.14 N ATOM 1306 CA LEU A 86 4.226 -3.955 -5.784 1.00 3.31 C ATOM 1307 C LEU A 86 3.848 -4.152 -4.306 1.00 72.44 C ATOM 1308 O LEU A 86 2.836 -4.776 -3.988 1.00 65.41 O ATOM 1309 CB LEU A 86 3.129 -3.152 -6.501 1.00 45.21 C ATOM 1310 CG LEU A 86 2.783 -1.790 -5.870 1.00 35.33 C ATOM 1311 CD1 LEU A 86 4.023 -0.909 -5.758 1.00 3.25 C ATOM 1312 CD2 LEU A 86 1.698 -1.085 -6.681 1.00 4.03 C ATOM 0 H LEU A 86 3.808 -5.984 -6.136 1.00 74.14 H new ATOM 0 HA LEU A 86 5.164 -3.402 -5.825 1.00 3.31 H new ATOM 0 HB2 LEU A 86 3.440 -2.986 -7.532 1.00 45.21 H new ATOM 0 HB3 LEU A 86 2.223 -3.758 -6.535 1.00 45.21 H new ATOM 0 HG LEU A 86 2.404 -1.970 -4.864 1.00 35.33 H new ATOM 0 HD11 LEU A 86 3.751 0.047 -5.309 1.00 3.25 H new ATOM 0 HD12 LEU A 86 4.766 -1.405 -5.134 1.00 3.25 H new ATOM 0 HD13 LEU A 86 4.439 -0.738 -6.751 1.00 3.25 H new ATOM 0 HD21 LEU A 86 1.466 -0.125 -6.221 1.00 4.03 H new ATOM 0 HD22 LEU A 86 2.052 -0.924 -7.699 1.00 4.03 H new ATOM 0 HD23 LEU A 86 0.800 -1.703 -6.703 1.00 4.03 H new ATOM 1324 N LEU A 87 4.666 -3.615 -3.406 1.00 25.23 N ATOM 1325 CA LEU A 87 4.404 -3.708 -1.966 1.00 30.33 C ATOM 1326 C LEU A 87 4.001 -2.347 -1.382 1.00 41.12 C ATOM 1327 O LEU A 87 4.539 -1.312 -1.764 1.00 53.00 O ATOM 1328 CB LEU A 87 5.644 -4.236 -1.231 1.00 23.23 C ATOM 1329 CG LEU A 87 5.488 -4.390 0.294 1.00 64.24 C ATOM 1330 CD1 LEU A 87 4.409 -5.418 0.630 1.00 70.44 C ATOM 1331 CD2 LEU A 87 6.819 -4.769 0.937 1.00 42.21 C ATOM 0 H LEU A 87 5.519 -3.109 -3.645 1.00 25.23 H new ATOM 0 HA LEU A 87 3.575 -4.402 -1.826 1.00 30.33 H new ATOM 0 HB2 LEU A 87 5.911 -5.205 -1.652 1.00 23.23 H new ATOM 0 HB3 LEU A 87 6.478 -3.562 -1.428 1.00 23.23 H new ATOM 0 HG LEU A 87 5.175 -3.429 0.702 1.00 64.24 H new ATOM 0 HD11 LEU A 87 4.318 -5.509 1.712 1.00 70.44 H new ATOM 0 HD12 LEU A 87 3.456 -5.095 0.211 1.00 70.44 H new ATOM 0 HD13 LEU A 87 4.683 -6.384 0.207 1.00 70.44 H new ATOM 0 HD21 LEU A 87 6.686 -4.873 2.014 1.00 42.21 H new ATOM 0 HD22 LEU A 87 7.168 -5.715 0.522 1.00 42.21 H new ATOM 0 HD23 LEU A 87 7.555 -3.991 0.735 1.00 42.21 H new ATOM 1343 N LEU A 88 3.054 -2.361 -0.457 1.00 44.30 N ATOM 1344 CA LEU A 88 2.641 -1.156 0.269 1.00 63.41 C ATOM 1345 C LEU A 88 2.640 -1.427 1.779 1.00 35.43 C ATOM 1346 O LEU A 88 2.053 -2.400 2.234 1.00 65.55 O ATOM 1347 CB LEU A 88 1.243 -0.713 -0.192 1.00 70.52 C ATOM 1348 CG LEU A 88 0.625 0.471 0.577 1.00 71.24 C ATOM 1349 CD1 LEU A 88 1.508 1.715 0.474 1.00 20.04 C ATOM 1350 CD2 LEU A 88 -0.787 0.761 0.070 1.00 22.54 C ATOM 0 H LEU A 88 2.547 -3.203 -0.184 1.00 44.30 H new ATOM 0 HA LEU A 88 3.349 -0.355 0.056 1.00 63.41 H new ATOM 0 HB2 LEU A 88 1.297 -0.447 -1.248 1.00 70.52 H new ATOM 0 HB3 LEU A 88 0.568 -1.565 -0.112 1.00 70.52 H new ATOM 0 HG LEU A 88 0.561 0.195 1.630 1.00 71.24 H new ATOM 0 HD11 LEU A 88 1.048 2.535 1.026 1.00 20.04 H new ATOM 0 HD12 LEU A 88 2.490 1.500 0.896 1.00 20.04 H new ATOM 0 HD13 LEU A 88 1.617 1.998 -0.573 1.00 20.04 H new ATOM 0 HD21 LEU A 88 -1.208 1.600 0.624 1.00 22.54 H new ATOM 0 HD22 LEU A 88 -0.749 1.010 -0.991 1.00 22.54 H new ATOM 0 HD23 LEU A 88 -1.413 -0.119 0.214 1.00 22.54 H new ATOM 1362 N VAL A 89 3.313 -0.581 2.554 1.00 52.24 N ATOM 1363 CA VAL A 89 3.367 -0.758 4.014 1.00 0.52 C ATOM 1364 C VAL A 89 2.971 0.524 4.761 1.00 13.23 C ATOM 1365 O VAL A 89 3.638 1.550 4.647 1.00 32.54 O ATOM 1366 CB VAL A 89 4.781 -1.201 4.481 1.00 60.04 C ATOM 1367 CG1 VAL A 89 4.828 -1.375 5.999 1.00 13.41 C ATOM 1368 CG2 VAL A 89 5.209 -2.490 3.780 1.00 51.04 C ATOM 0 H VAL A 89 3.826 0.229 2.206 1.00 52.24 H new ATOM 0 HA VAL A 89 2.648 -1.541 4.254 1.00 0.52 H new ATOM 0 HB VAL A 89 5.483 -0.414 4.207 1.00 60.04 H new ATOM 0 HG11 VAL A 89 5.829 -1.685 6.299 1.00 13.41 H new ATOM 0 HG12 VAL A 89 4.582 -0.429 6.481 1.00 13.41 H new ATOM 0 HG13 VAL A 89 4.107 -2.135 6.301 1.00 13.41 H new ATOM 0 HG21 VAL A 89 6.202 -2.779 4.124 1.00 51.04 H new ATOM 0 HG22 VAL A 89 4.499 -3.284 4.013 1.00 51.04 H new ATOM 0 HG23 VAL A 89 5.231 -2.328 2.702 1.00 51.04 H new ATOM 1378 N LEU A 90 1.874 0.452 5.515 1.00 32.11 N ATOM 1379 CA LEU A 90 1.439 1.554 6.382 1.00 72.21 C ATOM 1380 C LEU A 90 1.940 1.355 7.816 1.00 22.42 C ATOM 1381 O LEU A 90 1.624 0.354 8.463 1.00 14.24 O ATOM 1382 CB LEU A 90 -0.096 1.663 6.395 1.00 13.34 C ATOM 1383 CG LEU A 90 -0.676 2.595 7.481 1.00 41.11 C ATOM 1384 CD1 LEU A 90 -0.329 4.056 7.208 1.00 52.12 C ATOM 1385 CD2 LEU A 90 -2.185 2.409 7.619 1.00 14.24 C ATOM 0 H LEU A 90 1.264 -0.365 5.544 1.00 32.11 H new ATOM 0 HA LEU A 90 1.864 2.474 5.980 1.00 72.21 H new ATOM 0 HB2 LEU A 90 -0.428 2.017 5.419 1.00 13.34 H new ATOM 0 HB3 LEU A 90 -0.515 0.666 6.532 1.00 13.34 H new ATOM 0 HG LEU A 90 -0.215 2.317 8.429 1.00 41.11 H new ATOM 0 HD11 LEU A 90 -0.753 4.683 7.992 1.00 52.12 H new ATOM 0 HD12 LEU A 90 0.754 4.176 7.193 1.00 52.12 H new ATOM 0 HD13 LEU A 90 -0.740 4.353 6.243 1.00 52.12 H new ATOM 0 HD21 LEU A 90 -2.565 3.078 8.391 1.00 14.24 H new ATOM 0 HD22 LEU A 90 -2.668 2.639 6.669 1.00 14.24 H new ATOM 0 HD23 LEU A 90 -2.401 1.377 7.895 1.00 14.24 H new ATOM 1397 N VAL A 91 2.713 2.311 8.314 1.00 3.33 N ATOM 1398 CA VAL A 91 3.205 2.262 9.691 1.00 34.34 C ATOM 1399 C VAL A 91 2.539 3.347 10.555 1.00 44.05 C ATOM 1400 O VAL A 91 2.927 4.516 10.509 1.00 41.43 O ATOM 1401 CB VAL A 91 4.744 2.423 9.738 1.00 70.24 C ATOM 1402 CG1 VAL A 91 5.257 2.345 11.173 1.00 22.31 C ATOM 1403 CG2 VAL A 91 5.423 1.368 8.864 1.00 63.45 C ATOM 0 H VAL A 91 3.015 3.131 7.788 1.00 3.33 H new ATOM 0 HA VAL A 91 2.944 1.284 10.096 1.00 34.34 H new ATOM 0 HB VAL A 91 4.993 3.408 9.344 1.00 70.24 H new ATOM 0 HG11 VAL A 91 6.341 2.461 11.179 1.00 22.31 H new ATOM 0 HG12 VAL A 91 4.804 3.140 11.765 1.00 22.31 H new ATOM 0 HG13 VAL A 91 4.993 1.378 11.602 1.00 22.31 H new ATOM 0 HG21 VAL A 91 6.504 1.498 8.910 1.00 63.45 H new ATOM 0 HG22 VAL A 91 5.161 0.373 9.225 1.00 63.45 H new ATOM 0 HG23 VAL A 91 5.088 1.480 7.833 1.00 63.45 H new ATOM 1413 N LEU A 92 1.527 2.950 11.335 1.00 50.41 N ATOM 1414 CA LEU A 92 0.781 3.880 12.206 1.00 2.23 C ATOM 1415 C LEU A 92 1.729 4.668 13.133 1.00 73.12 C ATOM 1416 O LEU A 92 1.529 5.858 13.378 1.00 23.15 O ATOM 1417 CB LEU A 92 -0.251 3.096 13.036 1.00 52.40 C ATOM 1418 CG LEU A 92 -1.114 3.931 13.999 1.00 42.22 C ATOM 1419 CD1 LEU A 92 -1.956 4.950 13.237 1.00 52.15 C ATOM 1420 CD2 LEU A 92 -2.002 3.021 14.848 1.00 62.22 C ATOM 0 H LEU A 92 1.200 1.985 11.384 1.00 50.41 H new ATOM 0 HA LEU A 92 0.265 4.602 11.573 1.00 2.23 H new ATOM 0 HB2 LEU A 92 -0.914 2.567 12.351 1.00 52.40 H new ATOM 0 HB3 LEU A 92 0.277 2.339 13.616 1.00 52.40 H new ATOM 0 HG LEU A 92 -0.447 4.479 14.664 1.00 42.22 H new ATOM 0 HD11 LEU A 92 -2.556 5.526 13.942 1.00 52.15 H new ATOM 0 HD12 LEU A 92 -1.301 5.623 12.684 1.00 52.15 H new ATOM 0 HD13 LEU A 92 -2.614 4.430 12.541 1.00 52.15 H new ATOM 0 HD21 LEU A 92 -2.605 3.628 15.523 1.00 62.22 H new ATOM 0 HD22 LEU A 92 -2.657 2.442 14.197 1.00 62.22 H new ATOM 0 HD23 LEU A 92 -1.377 2.343 15.430 1.00 62.22 H new ATOM 1432 N ASP A 93 2.752 3.973 13.633 1.00 1.35 N ATOM 1433 CA ASP A 93 3.840 4.569 14.432 1.00 62.35 C ATOM 1434 C ASP A 93 4.267 5.950 13.891 1.00 23.32 C ATOM 1435 O ASP A 93 4.285 6.944 14.623 1.00 33.45 O ATOM 1436 CB ASP A 93 5.026 3.588 14.402 1.00 53.30 C ATOM 1437 CG ASP A 93 6.207 3.957 15.284 1.00 24.31 C ATOM 1438 OD1 ASP A 93 6.094 4.890 16.104 1.00 32.40 O ATOM 1439 OD2 ASP A 93 7.256 3.281 15.164 1.00 60.41 O ATOM 0 H ASP A 93 2.856 2.967 13.496 1.00 1.35 H new ATOM 0 HA ASP A 93 3.493 4.733 15.452 1.00 62.35 H new ATOM 0 HB2 ASP A 93 4.667 2.603 14.700 1.00 53.30 H new ATOM 0 HB3 ASP A 93 5.377 3.502 13.374 1.00 53.30 H new ATOM 1444 N GLN A 94 4.583 6.007 12.599 1.00 61.42 N ATOM 1445 CA GLN A 94 5.054 7.245 11.964 1.00 1.12 C ATOM 1446 C GLN A 94 3.999 7.853 11.017 1.00 60.21 C ATOM 1447 O GLN A 94 4.205 8.938 10.468 1.00 72.03 O ATOM 1448 CB GLN A 94 6.359 6.969 11.200 1.00 12.42 C ATOM 1449 CG GLN A 94 6.243 5.857 10.161 1.00 23.42 C ATOM 1450 CD GLN A 94 7.549 5.597 9.426 1.00 52.43 C ATOM 1451 OE1 GLN A 94 7.823 6.193 8.394 1.00 73.44 O ATOM 1452 NE2 GLN A 94 8.366 4.706 9.953 1.00 41.22 N ATOM 0 H GLN A 94 4.523 5.210 11.966 1.00 61.42 H new ATOM 0 HA GLN A 94 5.235 7.975 12.753 1.00 1.12 H new ATOM 0 HB2 GLN A 94 6.679 7.885 10.703 1.00 12.42 H new ATOM 0 HB3 GLN A 94 7.138 6.705 11.915 1.00 12.42 H new ATOM 0 HG2 GLN A 94 5.919 4.939 10.652 1.00 23.42 H new ATOM 0 HG3 GLN A 94 5.471 6.121 9.438 1.00 23.42 H new ATOM 0 HE21 GLN A 94 8.109 4.225 10.815 1.00 41.22 H new ATOM 0 HE22 GLN A 94 9.255 4.498 9.498 1.00 41.22 H new ATOM 1461 N ARG A 95 2.876 7.151 10.839 1.00 5.42 N ATOM 1462 CA ARG A 95 1.799 7.582 9.925 1.00 23.32 C ATOM 1463 C ARG A 95 2.284 7.729 8.468 1.00 61.42 C ATOM 1464 O ARG A 95 1.716 8.494 7.690 1.00 33.33 O ATOM 1465 CB ARG A 95 1.166 8.900 10.407 1.00 51.13 C ATOM 1466 CG ARG A 95 0.161 8.727 11.542 1.00 50.34 C ATOM 1467 CD ARG A 95 -0.442 10.063 11.961 1.00 1.21 C ATOM 1468 NE ARG A 95 -1.608 9.896 12.826 1.00 3.11 N ATOM 1469 CZ ARG A 95 -1.614 10.116 14.109 1.00 24.45 C ATOM 1470 NH1 ARG A 95 -0.525 10.424 14.732 1.00 22.43 N ATOM 1471 NH2 ARG A 95 -2.719 10.010 14.767 1.00 22.21 N ATOM 0 H ARG A 95 2.683 6.272 11.319 1.00 5.42 H new ATOM 0 HA ARG A 95 1.045 6.795 9.940 1.00 23.32 H new ATOM 0 HB2 ARG A 95 1.958 9.573 10.736 1.00 51.13 H new ATOM 0 HB3 ARG A 95 0.668 9.381 9.565 1.00 51.13 H new ATOM 0 HG2 ARG A 95 -0.633 8.051 11.226 1.00 50.34 H new ATOM 0 HG3 ARG A 95 0.653 8.264 12.398 1.00 50.34 H new ATOM 0 HD2 ARG A 95 0.313 10.653 12.481 1.00 1.21 H new ATOM 0 HD3 ARG A 95 -0.729 10.625 11.072 1.00 1.21 H new ATOM 0 HE ARG A 95 -2.478 9.585 12.394 1.00 3.11 H new ATOM 0 HH11 ARG A 95 0.353 10.497 14.218 1.00 22.43 H new ATOM 0 HH12 ARG A 95 -0.543 10.594 15.738 1.00 22.43 H new ATOM 0 HH21 ARG A 95 -3.579 9.755 14.282 1.00 22.21 H new ATOM 0 HH22 ARG A 95 -2.732 10.181 15.773 1.00 22.21 H new ATOM 1485 N ARG A 96 3.312 6.970 8.098 1.00 23.25 N ATOM 1486 CA ARG A 96 3.872 7.033 6.739 1.00 12.31 C ATOM 1487 C ARG A 96 3.791 5.676 6.039 1.00 33.24 C ATOM 1488 O ARG A 96 3.739 4.627 6.687 1.00 23.14 O ATOM 1489 CB ARG A 96 5.330 7.505 6.793 1.00 12.33 C ATOM 1490 CG ARG A 96 5.497 8.838 7.506 1.00 1.12 C ATOM 1491 CD ARG A 96 6.957 9.147 7.825 1.00 13.54 C ATOM 1492 NE ARG A 96 7.077 10.219 8.812 1.00 51.44 N ATOM 1493 CZ ARG A 96 8.198 10.610 9.348 1.00 53.25 C ATOM 1494 NH1 ARG A 96 9.325 10.086 8.986 1.00 65.54 N ATOM 1495 NH2 ARG A 96 8.183 11.529 10.255 1.00 31.30 N ATOM 0 H ARG A 96 3.778 6.304 8.714 1.00 23.25 H new ATOM 0 HA ARG A 96 3.280 7.746 6.165 1.00 12.31 H new ATOM 0 HB2 ARG A 96 5.932 6.750 7.299 1.00 12.33 H new ATOM 0 HB3 ARG A 96 5.716 7.592 5.777 1.00 12.33 H new ATOM 0 HG2 ARG A 96 5.087 9.634 6.884 1.00 1.12 H new ATOM 0 HG3 ARG A 96 4.920 8.827 8.431 1.00 1.12 H new ATOM 0 HD2 ARG A 96 7.446 8.248 8.202 1.00 13.54 H new ATOM 0 HD3 ARG A 96 7.477 9.433 6.911 1.00 13.54 H new ATOM 0 HE ARG A 96 6.222 10.694 9.101 1.00 51.44 H new ATOM 0 HH11 ARG A 96 9.343 9.357 8.273 1.00 65.54 H new ATOM 0 HH12 ARG A 96 10.195 10.402 9.414 1.00 65.54 H new ATOM 0 HH21 ARG A 96 7.298 11.943 10.547 1.00 31.30 H new ATOM 0 HH22 ARG A 96 9.056 11.841 10.680 1.00 31.30 H new ATOM 1509 N VAL A 97 3.788 5.713 4.712 1.00 31.44 N ATOM 1510 CA VAL A 97 3.700 4.497 3.895 1.00 23.43 C ATOM 1511 C VAL A 97 4.723 4.531 2.745 1.00 62.34 C ATOM 1512 O VAL A 97 5.346 5.561 2.487 1.00 4.33 O ATOM 1513 CB VAL A 97 2.277 4.308 3.297 1.00 35.41 C ATOM 1514 CG1 VAL A 97 1.199 4.530 4.347 1.00 24.51 C ATOM 1515 CG2 VAL A 97 2.050 5.226 2.100 1.00 12.10 C ATOM 0 H VAL A 97 3.846 6.576 4.171 1.00 31.44 H new ATOM 0 HA VAL A 97 3.919 3.659 4.556 1.00 23.43 H new ATOM 0 HB VAL A 97 2.209 3.276 2.953 1.00 35.41 H new ATOM 0 HG11 VAL A 97 0.217 4.390 3.895 1.00 24.51 H new ATOM 0 HG12 VAL A 97 1.330 3.815 5.160 1.00 24.51 H new ATOM 0 HG13 VAL A 97 1.277 5.544 4.740 1.00 24.51 H new ATOM 0 HG21 VAL A 97 1.046 5.069 1.706 1.00 12.10 H new ATOM 0 HG22 VAL A 97 2.159 6.265 2.412 1.00 12.10 H new ATOM 0 HG23 VAL A 97 2.783 5.002 1.325 1.00 12.10 H new ATOM 1525 N ARG A 98 4.896 3.404 2.058 1.00 53.21 N ATOM 1526 CA ARG A 98 5.767 3.349 0.877 1.00 11.35 C ATOM 1527 C ARG A 98 5.305 2.285 -0.128 1.00 22.51 C ATOM 1528 O ARG A 98 4.871 1.199 0.257 1.00 2.21 O ATOM 1529 CB ARG A 98 7.231 3.073 1.273 1.00 10.42 C ATOM 1530 CG ARG A 98 8.126 2.779 0.068 1.00 54.25 C ATOM 1531 CD ARG A 98 9.592 2.582 0.440 1.00 44.40 C ATOM 1532 NE ARG A 98 10.366 2.076 -0.696 1.00 73.20 N ATOM 1533 CZ ARG A 98 10.621 2.761 -1.781 1.00 74.23 C ATOM 1534 NH1 ARG A 98 10.280 4.008 -1.874 1.00 4.14 N ATOM 1535 NH2 ARG A 98 11.232 2.198 -2.775 1.00 64.14 N ATOM 0 H ARG A 98 4.449 2.518 2.294 1.00 53.21 H new ATOM 0 HA ARG A 98 5.702 4.327 0.401 1.00 11.35 H new ATOM 0 HB2 ARG A 98 7.626 3.935 1.811 1.00 10.42 H new ATOM 0 HB3 ARG A 98 7.264 2.227 1.959 1.00 10.42 H new ATOM 0 HG2 ARG A 98 7.763 1.883 -0.436 1.00 54.25 H new ATOM 0 HG3 ARG A 98 8.046 3.600 -0.644 1.00 54.25 H new ATOM 0 HD2 ARG A 98 10.014 3.529 0.778 1.00 44.40 H new ATOM 0 HD3 ARG A 98 9.667 1.884 1.274 1.00 44.40 H new ATOM 0 HE ARG A 98 10.731 1.125 -0.637 1.00 73.20 H new ATOM 0 HH11 ARG A 98 9.807 4.467 -1.095 1.00 4.14 H new ATOM 0 HH12 ARG A 98 10.485 4.531 -2.726 1.00 4.14 H new ATOM 0 HH21 ARG A 98 11.515 1.220 -2.712 1.00 64.14 H new ATOM 0 HH22 ARG A 98 11.430 2.733 -3.621 1.00 64.14 H new ATOM 1549 N PHE A 99 5.406 2.618 -1.416 1.00 74.14 N ATOM 1550 CA PHE A 99 5.165 1.658 -2.499 1.00 70.22 C ATOM 1551 C PHE A 99 6.500 1.141 -3.061 1.00 54.52 C ATOM 1552 O PHE A 99 7.271 1.904 -3.638 1.00 43.45 O ATOM 1553 CB PHE A 99 4.366 2.312 -3.634 1.00 54.34 C ATOM 1554 CG PHE A 99 2.987 2.778 -3.243 1.00 14.22 C ATOM 1555 CD1 PHE A 99 2.789 4.046 -2.711 1.00 3.12 C ATOM 1556 CD2 PHE A 99 1.887 1.952 -3.422 1.00 43.43 C ATOM 1557 CE1 PHE A 99 1.522 4.476 -2.366 1.00 21.14 C ATOM 1558 CE2 PHE A 99 0.620 2.380 -3.080 1.00 22.11 C ATOM 1559 CZ PHE A 99 0.438 3.642 -2.551 1.00 43.32 C ATOM 0 H PHE A 99 5.655 3.553 -1.738 1.00 74.14 H new ATOM 0 HA PHE A 99 4.593 0.826 -2.089 1.00 70.22 H new ATOM 0 HB2 PHE A 99 4.930 3.165 -4.013 1.00 54.34 H new ATOM 0 HB3 PHE A 99 4.276 1.600 -4.454 1.00 54.34 H new ATOM 0 HD1 PHE A 99 3.634 4.702 -2.566 1.00 3.12 H new ATOM 0 HD2 PHE A 99 2.023 0.963 -3.834 1.00 43.43 H new ATOM 0 HE1 PHE A 99 1.380 5.463 -1.952 1.00 21.14 H new ATOM 0 HE2 PHE A 99 -0.228 1.728 -3.226 1.00 22.11 H new ATOM 0 HZ PHE A 99 -0.553 3.977 -2.282 1.00 43.32 H new ATOM 1569 N GLU A 100 6.775 -0.146 -2.874 1.00 12.42 N ATOM 1570 CA GLU A 100 8.002 -0.762 -3.394 1.00 22.24 C ATOM 1571 C GLU A 100 7.712 -1.498 -4.717 1.00 12.00 C ATOM 1572 O GLU A 100 7.005 -2.509 -4.729 1.00 52.34 O ATOM 1573 CB GLU A 100 8.574 -1.741 -2.351 1.00 24.01 C ATOM 1574 CG GLU A 100 10.019 -2.166 -2.611 1.00 54.24 C ATOM 1575 CD GLU A 100 11.003 -1.014 -2.456 1.00 42.22 C ATOM 1576 OE1 GLU A 100 11.268 -0.601 -1.306 1.00 12.24 O ATOM 1577 OE2 GLU A 100 11.509 -0.505 -3.478 1.00 61.31 O ATOM 0 H GLU A 100 6.167 -0.788 -2.366 1.00 12.42 H new ATOM 0 HA GLU A 100 8.737 0.019 -3.589 1.00 22.24 H new ATOM 0 HB2 GLU A 100 8.516 -1.278 -1.366 1.00 24.01 H new ATOM 0 HB3 GLU A 100 7.946 -2.631 -2.323 1.00 24.01 H new ATOM 0 HG2 GLU A 100 10.289 -2.965 -1.921 1.00 54.24 H new ATOM 0 HG3 GLU A 100 10.098 -2.574 -3.618 1.00 54.24 H new ATOM 1584 N THR A 101 8.252 -0.984 -5.822 1.00 70.15 N ATOM 1585 CA THR A 101 7.995 -1.553 -7.158 1.00 61.33 C ATOM 1586 C THR A 101 9.114 -2.477 -7.639 1.00 64.13 C ATOM 1587 O THR A 101 10.276 -2.342 -7.247 1.00 72.53 O ATOM 1588 CB THR A 101 7.816 -0.447 -8.231 1.00 43.03 C ATOM 1589 OG1 THR A 101 8.863 0.530 -8.122 1.00 43.34 O ATOM 1590 CG2 THR A 101 6.458 0.231 -8.123 1.00 70.34 C ATOM 0 H THR A 101 8.872 -0.174 -5.825 1.00 70.15 H new ATOM 0 HA THR A 101 7.076 -2.127 -7.041 1.00 61.33 H new ATOM 0 HB THR A 101 7.872 -0.928 -9.208 1.00 43.03 H new ATOM 0 HG1 THR A 101 9.230 0.717 -9.011 1.00 43.34 H new ATOM 0 HG21 THR A 101 6.373 0.999 -8.892 1.00 70.34 H new ATOM 0 HG22 THR A 101 5.670 -0.509 -8.260 1.00 70.34 H new ATOM 0 HG23 THR A 101 6.358 0.690 -7.139 1.00 70.34 H new ATOM 1598 N GLY A 102 8.742 -3.427 -8.493 1.00 22.43 N ATOM 1599 CA GLY A 102 9.724 -4.210 -9.226 1.00 32.42 C ATOM 1600 C GLY A 102 10.111 -3.547 -10.546 1.00 54.05 C ATOM 1601 O GLY A 102 9.417 -2.639 -11.014 1.00 2.15 O ATOM 0 H GLY A 102 7.772 -3.670 -8.692 1.00 22.43 H new ATOM 0 HA2 GLY A 102 10.615 -4.342 -8.612 1.00 32.42 H new ATOM 0 HA3 GLY A 102 9.322 -5.204 -9.423 1.00 32.42 H new ATOM 1605 N TYR A 103 11.187 -4.020 -11.180 1.00 70.13 N ATOM 1606 CA TYR A 103 11.703 -3.377 -12.404 1.00 62.24 C ATOM 1607 C TYR A 103 10.721 -3.467 -13.592 1.00 60.14 C ATOM 1608 O TYR A 103 11.018 -2.996 -14.689 1.00 62.42 O ATOM 1609 CB TYR A 103 13.079 -3.945 -12.790 1.00 60.33 C ATOM 1610 CG TYR A 103 13.104 -5.439 -13.069 1.00 64.34 C ATOM 1611 CD1 TYR A 103 12.382 -5.982 -14.123 1.00 64.34 C ATOM 1612 CD2 TYR A 103 13.865 -6.298 -12.290 1.00 50.43 C ATOM 1613 CE1 TYR A 103 12.414 -7.337 -14.391 1.00 11.15 C ATOM 1614 CE2 TYR A 103 13.901 -7.656 -12.549 1.00 11.31 C ATOM 1615 CZ TYR A 103 13.175 -8.171 -13.600 1.00 14.30 C ATOM 1616 OH TYR A 103 13.217 -9.522 -13.869 1.00 34.12 O ATOM 0 H TYR A 103 11.717 -4.836 -10.875 1.00 70.13 H new ATOM 0 HA TYR A 103 11.815 -2.318 -12.170 1.00 62.24 H new ATOM 0 HB2 TYR A 103 13.436 -3.420 -13.676 1.00 60.33 H new ATOM 0 HB3 TYR A 103 13.783 -3.729 -11.986 1.00 60.33 H new ATOM 0 HD1 TYR A 103 11.784 -5.333 -14.745 1.00 64.34 H new ATOM 0 HD2 TYR A 103 14.439 -5.899 -11.467 1.00 50.43 H new ATOM 0 HE1 TYR A 103 11.846 -7.741 -15.216 1.00 11.15 H new ATOM 0 HE2 TYR A 103 14.496 -8.310 -11.929 1.00 11.31 H new ATOM 0 HH TYR A 103 13.800 -9.967 -13.219 1.00 34.12 H new ATOM 1626 N GLY A 104 9.558 -4.074 -13.372 1.00 23.42 N ATOM 1627 CA GLY A 104 8.539 -4.150 -14.412 1.00 34.11 C ATOM 1628 C GLY A 104 7.629 -2.931 -14.391 1.00 1.02 C ATOM 1629 O GLY A 104 7.296 -2.358 -15.430 1.00 2.42 O ATOM 0 H GLY A 104 9.300 -4.517 -12.490 1.00 23.42 H new ATOM 0 HA2 GLY A 104 9.019 -4.231 -15.388 1.00 34.11 H new ATOM 0 HA3 GLY A 104 7.943 -5.052 -14.274 1.00 34.11 H new ATOM 1633 N LEU A 105 7.248 -2.526 -13.182 1.00 62.41 N ATOM 1634 CA LEU A 105 6.374 -1.369 -12.978 1.00 22.53 C ATOM 1635 C LEU A 105 7.125 -0.046 -13.178 1.00 2.42 C ATOM 1636 O LEU A 105 6.506 1.009 -13.293 1.00 11.04 O ATOM 1637 CB LEU A 105 5.757 -1.421 -11.575 1.00 22.21 C ATOM 1638 CG LEU A 105 4.803 -2.601 -11.327 1.00 72.52 C ATOM 1639 CD1 LEU A 105 4.266 -2.568 -9.900 1.00 10.43 C ATOM 1640 CD2 LEU A 105 3.656 -2.592 -12.338 1.00 12.42 C ATOM 0 H LEU A 105 7.534 -2.987 -12.318 1.00 62.41 H new ATOM 0 HA LEU A 105 5.582 -1.413 -13.725 1.00 22.53 H new ATOM 0 HB2 LEU A 105 6.562 -1.464 -10.842 1.00 22.21 H new ATOM 0 HB3 LEU A 105 5.215 -0.492 -11.398 1.00 22.21 H new ATOM 0 HG LEU A 105 5.364 -3.526 -11.459 1.00 72.52 H new ATOM 0 HD11 LEU A 105 3.593 -3.411 -9.745 1.00 10.43 H new ATOM 0 HD12 LEU A 105 5.097 -2.633 -9.197 1.00 10.43 H new ATOM 0 HD13 LEU A 105 3.724 -1.636 -9.737 1.00 10.43 H new ATOM 0 HD21 LEU A 105 2.993 -3.435 -12.144 1.00 12.42 H new ATOM 0 HD22 LEU A 105 3.096 -1.662 -12.245 1.00 12.42 H new ATOM 0 HD23 LEU A 105 4.060 -2.673 -13.347 1.00 12.42 H new ATOM 1652 N GLU A 106 8.457 -0.111 -13.236 1.00 34.02 N ATOM 1653 CA GLU A 106 9.295 1.078 -13.473 1.00 40.24 C ATOM 1654 C GLU A 106 8.926 1.800 -14.788 1.00 43.24 C ATOM 1655 O GLU A 106 9.293 2.958 -14.998 1.00 60.43 O ATOM 1656 CB GLU A 106 10.779 0.675 -13.495 1.00 0.14 C ATOM 1657 CG GLU A 106 11.324 0.201 -12.147 1.00 33.22 C ATOM 1658 CD GLU A 106 11.392 1.312 -11.105 1.00 62.22 C ATOM 1659 OE1 GLU A 106 10.385 1.546 -10.408 1.00 71.13 O ATOM 1660 OE2 GLU A 106 12.460 1.959 -10.981 1.00 42.54 O ATOM 0 H GLU A 106 8.985 -0.976 -13.122 1.00 34.02 H new ATOM 0 HA GLU A 106 9.112 1.776 -12.656 1.00 40.24 H new ATOM 0 HB2 GLU A 106 10.917 -0.119 -14.229 1.00 0.14 H new ATOM 0 HB3 GLU A 106 11.369 1.527 -13.833 1.00 0.14 H new ATOM 0 HG2 GLU A 106 10.694 -0.604 -11.770 1.00 33.22 H new ATOM 0 HG3 GLU A 106 12.321 -0.215 -12.291 1.00 33.22 H new ATOM 1667 N GLY A 107 8.207 1.109 -15.674 1.00 62.24 N ATOM 1668 CA GLY A 107 7.765 1.716 -16.928 1.00 44.24 C ATOM 1669 C GLY A 107 6.475 2.529 -16.794 1.00 2.23 C ATOM 1670 O GLY A 107 6.065 3.212 -17.736 1.00 53.35 O ATOM 0 H GLY A 107 7.921 0.138 -15.548 1.00 62.24 H new ATOM 0 HA2 GLY A 107 8.555 2.364 -17.307 1.00 44.24 H new ATOM 0 HA3 GLY A 107 7.614 0.931 -17.669 1.00 44.24 H new ATOM 1674 N TYR A 108 5.834 2.463 -15.624 1.00 60.44 N ATOM 1675 CA TYR A 108 4.571 3.186 -15.382 1.00 52.12 C ATOM 1676 C TYR A 108 4.608 3.977 -14.060 1.00 71.20 C ATOM 1677 O TYR A 108 4.269 5.162 -14.017 1.00 25.42 O ATOM 1678 CB TYR A 108 3.385 2.207 -15.331 1.00 21.51 C ATOM 1679 CG TYR A 108 3.279 1.276 -16.527 1.00 71.51 C ATOM 1680 CD1 TYR A 108 2.894 1.750 -17.778 1.00 55.02 C ATOM 1681 CD2 TYR A 108 3.561 -0.080 -16.398 1.00 43.42 C ATOM 1682 CE1 TYR A 108 2.793 0.899 -18.864 1.00 4.30 C ATOM 1683 CE2 TYR A 108 3.460 -0.936 -17.480 1.00 40.10 C ATOM 1684 CZ TYR A 108 3.076 -0.442 -18.709 1.00 61.13 C ATOM 1685 OH TYR A 108 2.973 -1.294 -19.790 1.00 75.23 O ATOM 0 H TYR A 108 6.164 1.919 -14.827 1.00 60.44 H new ATOM 0 HA TYR A 108 4.446 3.884 -16.210 1.00 52.12 H new ATOM 0 HB2 TYR A 108 3.466 1.606 -14.426 1.00 21.51 H new ATOM 0 HB3 TYR A 108 2.461 2.780 -15.251 1.00 21.51 H new ATOM 0 HD1 TYR A 108 2.671 2.799 -17.903 1.00 55.02 H new ATOM 0 HD2 TYR A 108 3.864 -0.471 -15.438 1.00 43.42 H new ATOM 0 HE1 TYR A 108 2.494 1.283 -19.828 1.00 4.30 H new ATOM 0 HE2 TYR A 108 3.681 -1.987 -17.363 1.00 40.10 H new ATOM 0 HH TYR A 108 3.208 -2.204 -19.513 1.00 75.23 H new ATOM 1695 N LEU A 109 5.011 3.300 -12.985 1.00 35.12 N ATOM 1696 CA LEU A 109 4.959 3.859 -11.625 1.00 10.04 C ATOM 1697 C LEU A 109 6.366 4.103 -11.041 1.00 42.14 C ATOM 1698 O LEU A 109 6.946 3.212 -10.421 1.00 4.33 O ATOM 1699 CB LEU A 109 4.190 2.890 -10.714 1.00 63.41 C ATOM 1700 CG LEU A 109 2.774 2.519 -11.189 1.00 23.11 C ATOM 1701 CD1 LEU A 109 2.258 1.295 -10.435 1.00 12.33 C ATOM 1702 CD2 LEU A 109 1.820 3.698 -11.019 1.00 21.54 C ATOM 0 H LEU A 109 5.382 2.351 -13.027 1.00 35.12 H new ATOM 0 HA LEU A 109 4.454 4.823 -11.678 1.00 10.04 H new ATOM 0 HB2 LEU A 109 4.772 1.974 -10.613 1.00 63.41 H new ATOM 0 HB3 LEU A 109 4.117 3.333 -9.721 1.00 63.41 H new ATOM 0 HG LEU A 109 2.824 2.273 -12.250 1.00 23.11 H new ATOM 0 HD11 LEU A 109 1.256 1.048 -10.785 1.00 12.33 H new ATOM 0 HD12 LEU A 109 2.923 0.450 -10.614 1.00 12.33 H new ATOM 0 HD13 LEU A 109 2.227 1.512 -9.367 1.00 12.33 H new ATOM 0 HD21 LEU A 109 0.825 3.413 -11.361 1.00 21.54 H new ATOM 0 HD22 LEU A 109 1.775 3.981 -9.967 1.00 21.54 H new ATOM 0 HD23 LEU A 109 2.178 4.543 -11.607 1.00 21.54 H new ATOM 1714 N PRO A 110 6.945 5.303 -11.248 1.00 54.24 N ATOM 1715 CA PRO A 110 8.228 5.678 -10.626 1.00 53.11 C ATOM 1716 C PRO A 110 8.074 6.132 -9.159 1.00 14.50 C ATOM 1717 O PRO A 110 6.999 6.578 -8.743 1.00 61.21 O ATOM 1718 CB PRO A 110 8.701 6.839 -11.507 1.00 41.20 C ATOM 1719 CG PRO A 110 7.440 7.479 -11.986 1.00 4.34 C ATOM 1720 CD PRO A 110 6.426 6.370 -12.128 1.00 10.04 C ATOM 0 HA PRO A 110 8.923 4.840 -10.577 1.00 53.11 H new ATOM 0 HB2 PRO A 110 9.314 7.542 -10.943 1.00 41.20 H new ATOM 0 HB3 PRO A 110 9.308 6.484 -12.340 1.00 41.20 H new ATOM 0 HG2 PRO A 110 7.094 8.233 -11.279 1.00 4.34 H new ATOM 0 HG3 PRO A 110 7.599 7.984 -12.939 1.00 4.34 H new ATOM 0 HD2 PRO A 110 5.432 6.695 -11.820 1.00 10.04 H new ATOM 0 HD3 PRO A 110 6.345 6.032 -13.161 1.00 10.04 H new ATOM 1728 N ASP A 111 9.162 6.036 -8.390 1.00 65.33 N ATOM 1729 CA ASP A 111 9.164 6.396 -6.962 1.00 13.31 C ATOM 1730 C ASP A 111 8.581 7.808 -6.721 1.00 70.52 C ATOM 1731 O ASP A 111 7.925 8.054 -5.704 1.00 41.21 O ATOM 1732 CB ASP A 111 10.597 6.302 -6.417 1.00 35.43 C ATOM 1733 CG ASP A 111 10.671 6.419 -4.902 1.00 22.50 C ATOM 1734 OD1 ASP A 111 10.472 5.404 -4.206 1.00 54.05 O ATOM 1735 OD2 ASP A 111 10.952 7.523 -4.394 1.00 15.44 O ATOM 0 H ASP A 111 10.065 5.708 -8.734 1.00 65.33 H new ATOM 0 HA ASP A 111 8.522 5.693 -6.431 1.00 13.31 H new ATOM 0 HB2 ASP A 111 11.034 5.351 -6.723 1.00 35.43 H new ATOM 0 HB3 ASP A 111 11.202 7.090 -6.866 1.00 35.43 H new ATOM 1740 N GLY A 112 8.816 8.728 -7.659 1.00 60.14 N ATOM 1741 CA GLY A 112 8.240 10.070 -7.563 1.00 21.34 C ATOM 1742 C GLY A 112 6.712 10.072 -7.630 1.00 13.00 C ATOM 1743 O GLY A 112 6.045 10.677 -6.787 1.00 3.50 O ATOM 0 H GLY A 112 9.394 8.571 -8.484 1.00 60.14 H new ATOM 0 HA2 GLY A 112 8.557 10.529 -6.627 1.00 21.34 H new ATOM 0 HA3 GLY A 112 8.634 10.687 -8.371 1.00 21.34 H new ATOM 1747 N LEU A 113 6.156 9.392 -8.635 1.00 41.04 N ATOM 1748 CA LEU A 113 4.698 9.251 -8.769 1.00 52.53 C ATOM 1749 C LEU A 113 4.096 8.583 -7.523 1.00 24.31 C ATOM 1750 O LEU A 113 3.083 9.034 -6.984 1.00 11.04 O ATOM 1751 CB LEU A 113 4.356 8.433 -10.025 1.00 71.33 C ATOM 1752 CG LEU A 113 2.857 8.180 -10.273 1.00 43.34 C ATOM 1753 CD1 LEU A 113 2.096 9.496 -10.422 1.00 30.43 C ATOM 1754 CD2 LEU A 113 2.657 7.299 -11.505 1.00 14.14 C ATOM 0 H LEU A 113 6.691 8.929 -9.370 1.00 41.04 H new ATOM 0 HA LEU A 113 4.267 10.247 -8.866 1.00 52.53 H new ATOM 0 HB2 LEU A 113 4.767 8.948 -10.894 1.00 71.33 H new ATOM 0 HB3 LEU A 113 4.861 7.470 -9.957 1.00 71.33 H new ATOM 0 HG LEU A 113 2.455 7.656 -9.406 1.00 43.34 H new ATOM 0 HD11 LEU A 113 1.040 9.288 -10.596 1.00 30.43 H new ATOM 0 HD12 LEU A 113 2.204 10.084 -9.511 1.00 30.43 H new ATOM 0 HD13 LEU A 113 2.499 10.056 -11.266 1.00 30.43 H new ATOM 0 HD21 LEU A 113 1.592 7.132 -11.664 1.00 14.14 H new ATOM 0 HD22 LEU A 113 3.081 7.794 -12.379 1.00 14.14 H new ATOM 0 HD23 LEU A 113 3.156 6.342 -11.353 1.00 14.14 H new ATOM 1766 N LEU A 114 4.742 7.510 -7.069 1.00 72.40 N ATOM 1767 CA LEU A 114 4.334 6.814 -5.846 1.00 74.41 C ATOM 1768 C LEU A 114 4.370 7.762 -4.636 1.00 64.34 C ATOM 1769 O LEU A 114 3.488 7.726 -3.778 1.00 24.45 O ATOM 1770 CB LEU A 114 5.253 5.610 -5.605 1.00 4.44 C ATOM 1771 CG LEU A 114 5.281 4.574 -6.742 1.00 0.22 C ATOM 1772 CD1 LEU A 114 6.323 3.496 -6.467 1.00 50.25 C ATOM 1773 CD2 LEU A 114 3.896 3.956 -6.941 1.00 65.54 C ATOM 0 H LEU A 114 5.554 7.101 -7.531 1.00 72.40 H new ATOM 0 HA LEU A 114 3.309 6.465 -5.970 1.00 74.41 H new ATOM 0 HB2 LEU A 114 6.267 5.974 -5.440 1.00 4.44 H new ATOM 0 HB3 LEU A 114 4.940 5.112 -4.687 1.00 4.44 H new ATOM 0 HG LEU A 114 5.561 5.085 -7.663 1.00 0.22 H new ATOM 0 HD11 LEU A 114 6.325 2.775 -7.284 1.00 50.25 H new ATOM 0 HD12 LEU A 114 7.308 3.955 -6.386 1.00 50.25 H new ATOM 0 HD13 LEU A 114 6.082 2.987 -5.534 1.00 50.25 H new ATOM 0 HD21 LEU A 114 3.936 3.226 -7.749 1.00 65.54 H new ATOM 0 HD22 LEU A 114 3.582 3.462 -6.021 1.00 65.54 H new ATOM 0 HD23 LEU A 114 3.181 4.739 -7.194 1.00 65.54 H new ATOM 1785 N SER A 115 5.394 8.616 -4.593 1.00 35.05 N ATOM 1786 CA SER A 115 5.534 9.628 -3.534 1.00 22.22 C ATOM 1787 C SER A 115 4.308 10.549 -3.477 1.00 0.52 C ATOM 1788 O SER A 115 3.797 10.851 -2.394 1.00 54.51 O ATOM 1789 CB SER A 115 6.801 10.467 -3.755 1.00 54.41 C ATOM 1790 OG SER A 115 6.967 11.455 -2.745 1.00 25.32 O ATOM 0 H SER A 115 6.146 8.630 -5.283 1.00 35.05 H new ATOM 0 HA SER A 115 5.613 9.100 -2.584 1.00 22.22 H new ATOM 0 HB2 SER A 115 7.672 9.812 -3.768 1.00 54.41 H new ATOM 0 HB3 SER A 115 6.751 10.950 -4.731 1.00 54.41 H new ATOM 0 HG SER A 115 7.784 11.967 -2.919 1.00 25.32 H new ATOM 1796 N ARG A 116 3.836 11.001 -4.645 1.00 75.12 N ATOM 1797 CA ARG A 116 2.613 11.813 -4.709 1.00 75.40 C ATOM 1798 C ARG A 116 1.428 11.068 -4.089 1.00 30.11 C ATOM 1799 O ARG A 116 0.730 11.601 -3.234 1.00 11.32 O ATOM 1800 CB ARG A 116 2.254 12.198 -6.153 1.00 73.31 C ATOM 1801 CG ARG A 116 0.892 12.892 -6.252 1.00 72.24 C ATOM 1802 CD ARG A 116 0.424 13.090 -7.688 1.00 41.43 C ATOM 1803 NE ARG A 116 -0.972 13.529 -7.737 1.00 51.14 N ATOM 1804 CZ ARG A 116 -1.585 13.934 -8.817 1.00 64.31 C ATOM 1805 NH1 ARG A 116 -0.960 14.011 -9.945 1.00 13.21 N ATOM 1806 NH2 ARG A 116 -2.833 14.265 -8.767 1.00 1.42 N ATOM 0 H ARG A 116 4.275 10.822 -5.548 1.00 75.12 H new ATOM 0 HA ARG A 116 2.815 12.722 -4.143 1.00 75.40 H new ATOM 0 HB2 ARG A 116 3.024 12.858 -6.552 1.00 73.31 H new ATOM 0 HB3 ARG A 116 2.248 11.302 -6.774 1.00 73.31 H new ATOM 0 HG2 ARG A 116 0.151 12.302 -5.713 1.00 72.24 H new ATOM 0 HG3 ARG A 116 0.949 13.862 -5.758 1.00 72.24 H new ATOM 0 HD2 ARG A 116 1.057 13.828 -8.181 1.00 41.43 H new ATOM 0 HD3 ARG A 116 0.534 12.157 -8.240 1.00 41.43 H new ATOM 0 HE ARG A 116 -1.503 13.518 -6.866 1.00 51.14 H new ATOM 0 HH11 ARG A 116 0.025 13.754 -10.001 1.00 13.21 H new ATOM 0 HH12 ARG A 116 -1.452 14.329 -10.780 1.00 13.21 H new ATOM 0 HH21 ARG A 116 -3.340 14.210 -7.884 1.00 1.42 H new ATOM 0 HH22 ARG A 116 -3.311 14.581 -9.611 1.00 1.42 H new ATOM 1820 N ILE A 117 1.208 9.833 -4.533 1.00 54.21 N ATOM 1821 CA ILE A 117 0.099 9.012 -4.030 1.00 73.23 C ATOM 1822 C ILE A 117 0.088 8.968 -2.491 1.00 23.51 C ATOM 1823 O ILE A 117 -0.967 9.055 -1.861 1.00 72.33 O ATOM 1824 CB ILE A 117 0.175 7.569 -4.593 1.00 4.15 C ATOM 1825 CG1 ILE A 117 0.200 7.598 -6.132 1.00 63.13 C ATOM 1826 CG2 ILE A 117 -0.997 6.723 -4.091 1.00 5.32 C ATOM 1827 CD1 ILE A 117 0.364 6.235 -6.776 1.00 20.44 C ATOM 0 H ILE A 117 1.781 9.374 -5.241 1.00 54.21 H new ATOM 0 HA ILE A 117 -0.826 9.476 -4.371 1.00 73.23 H new ATOM 0 HB ILE A 117 1.098 7.111 -4.237 1.00 4.15 H new ATOM 0 HG12 ILE A 117 -0.726 8.048 -6.491 1.00 63.13 H new ATOM 0 HG13 ILE A 117 1.016 8.243 -6.459 1.00 63.13 H new ATOM 0 HG21 ILE A 117 -0.920 5.716 -4.500 1.00 5.32 H new ATOM 0 HG22 ILE A 117 -0.971 6.675 -3.002 1.00 5.32 H new ATOM 0 HG23 ILE A 117 -1.936 7.175 -4.412 1.00 5.32 H new ATOM 0 HD11 ILE A 117 0.372 6.344 -7.861 1.00 20.44 H new ATOM 0 HD12 ILE A 117 1.303 5.789 -6.449 1.00 20.44 H new ATOM 0 HD13 ILE A 117 -0.465 5.591 -6.482 1.00 20.44 H new ATOM 1839 N ILE A 118 1.274 8.865 -1.900 1.00 65.12 N ATOM 1840 CA ILE A 118 1.417 8.846 -0.443 1.00 62.23 C ATOM 1841 C ILE A 118 0.932 10.160 0.202 1.00 71.33 C ATOM 1842 O ILE A 118 0.048 10.154 1.063 1.00 30.12 O ATOM 1843 CB ILE A 118 2.896 8.608 -0.040 1.00 51.31 C ATOM 1844 CG1 ILE A 118 3.404 7.278 -0.626 1.00 34.25 C ATOM 1845 CG2 ILE A 118 3.058 8.631 1.483 1.00 54.33 C ATOM 1846 CD1 ILE A 118 4.882 7.022 -0.398 1.00 3.20 C ATOM 0 H ILE A 118 2.156 8.793 -2.408 1.00 65.12 H new ATOM 0 HA ILE A 118 0.795 8.028 -0.079 1.00 62.23 H new ATOM 0 HB ILE A 118 3.499 9.417 -0.452 1.00 51.31 H new ATOM 0 HG12 ILE A 118 2.833 6.459 -0.188 1.00 34.25 H new ATOM 0 HG13 ILE A 118 3.206 7.267 -1.698 1.00 34.25 H new ATOM 0 HG21 ILE A 118 4.104 8.462 1.740 1.00 54.33 H new ATOM 0 HG22 ILE A 118 2.742 9.601 1.868 1.00 54.33 H new ATOM 0 HG23 ILE A 118 2.444 7.847 1.926 1.00 54.33 H new ATOM 0 HD11 ILE A 118 5.158 6.065 -0.841 1.00 3.20 H new ATOM 0 HD12 ILE A 118 5.465 7.818 -0.861 1.00 3.20 H new ATOM 0 HD13 ILE A 118 5.086 6.998 0.672 1.00 3.20 H new ATOM 1858 N HIS A 119 1.501 11.289 -0.225 1.00 34.22 N ATOM 1859 CA HIS A 119 1.242 12.571 0.444 1.00 32.52 C ATOM 1860 C HIS A 119 -0.054 13.253 -0.035 1.00 22.54 C ATOM 1861 O HIS A 119 -0.633 14.067 0.682 1.00 64.11 O ATOM 1862 CB HIS A 119 2.432 13.523 0.262 1.00 22.33 C ATOM 1863 CG HIS A 119 2.617 14.444 1.429 1.00 62.23 C ATOM 1864 ND1 HIS A 119 1.777 15.504 1.702 1.00 63.34 N ATOM 1865 CD2 HIS A 119 3.524 14.421 2.432 1.00 53.25 C ATOM 1866 CE1 HIS A 119 2.157 16.086 2.822 1.00 25.42 C ATOM 1867 NE2 HIS A 119 3.213 15.450 3.285 1.00 33.15 N ATOM 0 H HIS A 119 2.137 11.345 -1.021 1.00 34.22 H new ATOM 0 HA HIS A 119 1.110 12.344 1.502 1.00 32.52 H new ATOM 0 HB2 HIS A 119 3.341 12.939 0.117 1.00 22.33 H new ATOM 0 HB3 HIS A 119 2.285 14.113 -0.642 1.00 22.33 H new ATOM 0 HD2 HIS A 119 4.341 13.723 2.541 1.00 53.25 H new ATOM 0 HE1 HIS A 119 1.682 16.940 3.282 1.00 25.42 H new ATOM 0 HE2 HIS A 119 3.718 15.684 4.140 1.00 33.15 H new ATOM 1876 N ASP A 120 -0.501 12.921 -1.239 1.00 45.54 N ATOM 1877 CA ASP A 120 -1.687 13.554 -1.834 1.00 74.42 C ATOM 1878 C ASP A 120 -2.970 12.770 -1.517 1.00 3.40 C ATOM 1879 O ASP A 120 -3.968 13.347 -1.083 1.00 32.23 O ATOM 1880 CB ASP A 120 -1.506 13.678 -3.351 1.00 63.31 C ATOM 1881 CG ASP A 120 -2.680 14.361 -4.030 1.00 64.43 C ATOM 1882 OD1 ASP A 120 -2.803 15.598 -3.923 1.00 72.55 O ATOM 1883 OD2 ASP A 120 -3.492 13.663 -4.664 1.00 53.43 O ATOM 0 H ASP A 120 -0.063 12.215 -1.831 1.00 45.54 H new ATOM 0 HA ASP A 120 -1.791 14.547 -1.397 1.00 74.42 H new ATOM 0 HB2 ASP A 120 -0.595 14.239 -3.559 1.00 63.31 H new ATOM 0 HB3 ASP A 120 -1.373 12.684 -3.779 1.00 63.31 H new ATOM 1888 N ARG A 121 -2.945 11.458 -1.743 1.00 24.42 N ATOM 1889 CA ARG A 121 -4.116 10.611 -1.490 1.00 43.10 C ATOM 1890 C ARG A 121 -4.258 10.278 0.005 1.00 14.13 C ATOM 1891 O ARG A 121 -5.295 10.536 0.612 1.00 72.24 O ATOM 1892 CB ARG A 121 -4.028 9.299 -2.292 1.00 51.45 C ATOM 1893 CG ARG A 121 -3.956 9.464 -3.814 1.00 20.04 C ATOM 1894 CD ARG A 121 -5.230 10.071 -4.404 1.00 34.41 C ATOM 1895 NE ARG A 121 -5.257 11.526 -4.282 1.00 35.24 N ATOM 1896 CZ ARG A 121 -6.338 12.241 -4.143 1.00 24.44 C ATOM 1897 NH1 ARG A 121 -7.506 11.681 -4.089 1.00 44.22 N ATOM 1898 NH2 ARG A 121 -6.240 13.527 -4.079 1.00 73.10 N ATOM 0 H ARG A 121 -2.131 10.957 -2.100 1.00 24.42 H new ATOM 0 HA ARG A 121 -4.992 11.175 -1.810 1.00 43.10 H new ATOM 0 HB2 ARG A 121 -3.147 8.749 -1.961 1.00 51.45 H new ATOM 0 HB3 ARG A 121 -4.896 8.686 -2.050 1.00 51.45 H new ATOM 0 HG2 ARG A 121 -3.106 10.098 -4.067 1.00 20.04 H new ATOM 0 HG3 ARG A 121 -3.776 8.492 -4.272 1.00 20.04 H new ATOM 0 HD2 ARG A 121 -5.308 9.795 -5.456 1.00 34.41 H new ATOM 0 HD3 ARG A 121 -6.099 9.650 -3.898 1.00 34.41 H new ATOM 0 HE ARG A 121 -4.364 12.019 -4.307 1.00 35.24 H new ATOM 0 HH11 ARG A 121 -7.589 10.667 -4.156 1.00 44.22 H new ATOM 0 HH12 ARG A 121 -8.342 12.255 -3.980 1.00 44.22 H new ATOM 0 HH21 ARG A 121 -5.324 13.972 -4.137 1.00 73.10 H new ATOM 0 HH22 ARG A 121 -7.078 14.098 -3.970 1.00 73.10 H new ATOM 1912 N MET A 122 -3.195 9.729 0.591 1.00 25.21 N ATOM 1913 CA MET A 122 -3.262 9.138 1.937 1.00 64.32 C ATOM 1914 C MET A 122 -3.136 10.168 3.077 1.00 40.11 C ATOM 1915 O MET A 122 -4.036 10.276 3.913 1.00 43.23 O ATOM 1916 CB MET A 122 -2.173 8.073 2.086 1.00 50.41 C ATOM 1917 CG MET A 122 -2.356 6.879 1.163 1.00 10.32 C ATOM 1918 SD MET A 122 -1.123 5.596 1.448 1.00 23.50 S ATOM 1919 CE MET A 122 -1.669 4.338 0.301 1.00 53.04 C ATOM 0 H MET A 122 -2.273 9.679 0.158 1.00 25.21 H new ATOM 0 HA MET A 122 -4.254 8.696 2.029 1.00 64.32 H new ATOM 0 HB2 MET A 122 -1.202 8.528 1.889 1.00 50.41 H new ATOM 0 HB3 MET A 122 -2.157 7.724 3.118 1.00 50.41 H new ATOM 0 HG2 MET A 122 -3.352 6.461 1.308 1.00 10.32 H new ATOM 0 HG3 MET A 122 -2.297 7.212 0.127 1.00 10.32 H new ATOM 0 HE1 MET A 122 -0.825 3.707 0.024 1.00 53.04 H new ATOM 0 HE2 MET A 122 -2.440 3.727 0.771 1.00 53.04 H new ATOM 0 HE3 MET A 122 -2.076 4.812 -0.592 1.00 53.04 H new ATOM 1929 N ILE A 123 -2.019 10.908 3.113 1.00 13.41 N ATOM 1930 CA ILE A 123 -1.712 11.830 4.232 1.00 34.43 C ATOM 1931 C ILE A 123 -2.929 12.668 4.701 1.00 12.43 C ATOM 1932 O ILE A 123 -3.238 12.677 5.896 1.00 32.21 O ATOM 1933 CB ILE A 123 -0.518 12.768 3.888 1.00 61.21 C ATOM 1934 CG1 ILE A 123 0.798 11.971 3.843 1.00 50.14 C ATOM 1935 CG2 ILE A 123 -0.410 13.926 4.884 1.00 13.23 C ATOM 1936 CD1 ILE A 123 1.235 11.418 5.185 1.00 72.10 C ATOM 0 H ILE A 123 -1.308 10.891 2.382 1.00 13.41 H new ATOM 0 HA ILE A 123 -1.433 11.185 5.065 1.00 34.43 H new ATOM 0 HB ILE A 123 -0.704 13.194 2.902 1.00 61.21 H new ATOM 0 HG12 ILE A 123 0.686 11.145 3.141 1.00 50.14 H new ATOM 0 HG13 ILE A 123 1.587 12.615 3.454 1.00 50.14 H new ATOM 0 HG21 ILE A 123 0.434 14.561 4.614 1.00 13.23 H new ATOM 0 HG22 ILE A 123 -1.328 14.513 4.860 1.00 13.23 H new ATOM 0 HG23 ILE A 123 -0.259 13.529 5.888 1.00 13.23 H new ATOM 0 HD11 ILE A 123 2.170 10.870 5.066 1.00 72.10 H new ATOM 0 HD12 ILE A 123 1.382 12.239 5.886 1.00 72.10 H new ATOM 0 HD13 ILE A 123 0.467 10.746 5.569 1.00 72.10 H new ATOM 1948 N PRO A 124 -3.640 13.382 3.791 1.00 44.14 N ATOM 1949 CA PRO A 124 -4.825 14.177 4.179 1.00 60.41 C ATOM 1950 C PRO A 124 -5.855 13.368 4.991 1.00 1.33 C ATOM 1951 O PRO A 124 -6.411 13.858 5.978 1.00 22.32 O ATOM 1952 CB PRO A 124 -5.416 14.612 2.832 1.00 31.00 C ATOM 1953 CG PRO A 124 -4.250 14.630 1.903 1.00 3.14 C ATOM 1954 CD PRO A 124 -3.362 13.494 2.343 1.00 22.43 C ATOM 0 HA PRO A 124 -4.556 15.007 4.833 1.00 60.41 H new ATOM 0 HB2 PRO A 124 -6.184 13.917 2.492 1.00 31.00 H new ATOM 0 HB3 PRO A 124 -5.883 15.594 2.902 1.00 31.00 H new ATOM 0 HG2 PRO A 124 -4.571 14.499 0.869 1.00 3.14 H new ATOM 0 HG3 PRO A 124 -3.722 15.582 1.955 1.00 3.14 H new ATOM 0 HD2 PRO A 124 -3.600 12.570 1.816 1.00 22.43 H new ATOM 0 HD3 PRO A 124 -2.311 13.708 2.151 1.00 22.43 H new ATOM 1962 N HIS A 125 -6.096 12.122 4.585 1.00 22.22 N ATOM 1963 CA HIS A 125 -7.040 11.250 5.294 1.00 72.42 C ATOM 1964 C HIS A 125 -6.466 10.762 6.633 1.00 53.15 C ATOM 1965 O HIS A 125 -7.180 10.708 7.636 1.00 24.01 O ATOM 1966 CB HIS A 125 -7.429 10.054 4.424 1.00 64.14 C ATOM 1967 CG HIS A 125 -8.284 10.419 3.252 1.00 65.22 C ATOM 1968 ND1 HIS A 125 -9.562 10.885 3.423 1.00 42.13 N ATOM 1969 CD2 HIS A 125 -8.009 10.360 1.931 1.00 63.11 C ATOM 1970 CE1 HIS A 125 -10.034 11.094 2.209 1.00 51.24 C ATOM 1971 NE2 HIS A 125 -9.130 10.794 1.276 1.00 35.31 N ATOM 0 H HIS A 125 -5.654 11.692 3.772 1.00 22.22 H new ATOM 0 HA HIS A 125 -7.931 11.841 5.505 1.00 72.42 H new ATOM 0 HB2 HIS A 125 -6.523 9.567 4.064 1.00 64.14 H new ATOM 0 HB3 HIS A 125 -7.960 9.326 5.038 1.00 64.14 H new ATOM 0 HD1 HIS A 125 -10.048 11.038 4.307 1.00 42.13 H new ATOM 0 HD2 HIS A 125 -7.084 10.034 1.479 1.00 63.11 H new ATOM 0 HE1 HIS A 125 -11.027 11.462 1.998 1.00 51.24 H new ATOM 1979 N PHE A 126 -5.177 10.418 6.648 1.00 12.03 N ATOM 1980 CA PHE A 126 -4.505 9.981 7.882 1.00 22.13 C ATOM 1981 C PHE A 126 -4.629 11.046 8.983 1.00 62.11 C ATOM 1982 O PHE A 126 -4.852 10.729 10.155 1.00 35.31 O ATOM 1983 CB PHE A 126 -3.020 9.683 7.617 1.00 41.34 C ATOM 1984 CG PHE A 126 -2.761 8.491 6.722 1.00 34.25 C ATOM 1985 CD1 PHE A 126 -3.796 7.666 6.296 1.00 13.43 C ATOM 1986 CD2 PHE A 126 -1.467 8.195 6.312 1.00 54.42 C ATOM 1987 CE1 PHE A 126 -3.545 6.576 5.483 1.00 44.42 C ATOM 1988 CE2 PHE A 126 -1.213 7.105 5.501 1.00 71.10 C ATOM 1989 CZ PHE A 126 -2.254 6.296 5.086 1.00 14.33 C ATOM 0 H PHE A 126 -4.575 10.432 5.824 1.00 12.03 H new ATOM 0 HA PHE A 126 -4.996 9.068 8.220 1.00 22.13 H new ATOM 0 HB2 PHE A 126 -2.562 10.564 7.167 1.00 41.34 H new ATOM 0 HB3 PHE A 126 -2.521 9.517 8.572 1.00 41.34 H new ATOM 0 HD1 PHE A 126 -4.809 7.879 6.604 1.00 13.43 H new ATOM 0 HD2 PHE A 126 -0.649 8.824 6.631 1.00 54.42 H new ATOM 0 HE1 PHE A 126 -4.359 5.944 5.159 1.00 44.42 H new ATOM 0 HE2 PHE A 126 -0.202 6.886 5.192 1.00 71.10 H new ATOM 0 HZ PHE A 126 -2.057 5.445 4.451 1.00 14.33 H new ATOM 1999 N ARG A 127 -4.490 12.311 8.593 1.00 20.32 N ATOM 2000 CA ARG A 127 -4.624 13.432 9.530 1.00 53.31 C ATOM 2001 C ARG A 127 -6.100 13.703 9.871 1.00 14.35 C ATOM 2002 O ARG A 127 -6.434 14.034 11.008 1.00 23.41 O ATOM 2003 CB ARG A 127 -3.969 14.687 8.943 1.00 34.35 C ATOM 2004 CG ARG A 127 -2.513 14.475 8.543 1.00 62.31 C ATOM 2005 CD ARG A 127 -1.861 15.766 8.067 1.00 3.54 C ATOM 2006 NE ARG A 127 -1.796 16.768 9.128 1.00 32.12 N ATOM 2007 CZ ARG A 127 -1.328 17.971 8.973 1.00 51.44 C ATOM 2008 NH1 ARG A 127 -0.914 18.378 7.816 1.00 51.30 N ATOM 2009 NH2 ARG A 127 -1.292 18.775 9.981 1.00 62.51 N ATOM 0 H ARG A 127 -4.284 12.589 7.634 1.00 20.32 H new ATOM 0 HA ARG A 127 -4.114 13.165 10.456 1.00 53.31 H new ATOM 0 HB2 ARG A 127 -4.536 15.010 8.069 1.00 34.35 H new ATOM 0 HB3 ARG A 127 -4.024 15.493 9.674 1.00 34.35 H new ATOM 0 HG2 ARG A 127 -1.957 14.079 9.393 1.00 62.31 H new ATOM 0 HG3 ARG A 127 -2.459 13.728 7.751 1.00 62.31 H new ATOM 0 HD2 ARG A 127 -0.854 15.553 7.707 1.00 3.54 H new ATOM 0 HD3 ARG A 127 -2.423 16.167 7.223 1.00 3.54 H new ATOM 0 HE ARG A 127 -2.141 16.506 10.052 1.00 32.12 H new ATOM 0 HH11 ARG A 127 -0.953 17.752 7.011 1.00 51.30 H new ATOM 0 HH12 ARG A 127 -0.549 19.325 7.709 1.00 51.30 H new ATOM 0 HH21 ARG A 127 -1.629 18.466 10.892 1.00 62.51 H new ATOM 0 HH22 ARG A 127 -0.926 19.720 9.867 1.00 62.51 H new ATOM 2023 N SER A 128 -6.982 13.552 8.881 1.00 11.35 N ATOM 2024 CA SER A 128 -8.429 13.724 9.099 1.00 64.11 C ATOM 2025 C SER A 128 -8.996 12.639 10.028 1.00 51.21 C ATOM 2026 O SER A 128 -9.963 12.875 10.754 1.00 61.42 O ATOM 2027 CB SER A 128 -9.187 13.706 7.763 1.00 4.24 C ATOM 2028 OG SER A 128 -8.817 14.805 6.945 1.00 32.43 O ATOM 0 H SER A 128 -6.726 13.312 7.923 1.00 11.35 H new ATOM 0 HA SER A 128 -8.568 14.693 9.579 1.00 64.11 H new ATOM 0 HB2 SER A 128 -8.980 12.773 7.238 1.00 4.24 H new ATOM 0 HB3 SER A 128 -10.260 13.735 7.951 1.00 4.24 H new ATOM 0 HG SER A 128 -7.955 14.619 6.518 1.00 32.43 H new ATOM 2034 N GLY A 129 -8.392 11.451 10.003 1.00 72.31 N ATOM 2035 CA GLY A 129 -8.845 10.350 10.858 1.00 21.41 C ATOM 2036 C GLY A 129 -9.210 9.080 10.085 1.00 53.12 C ATOM 2037 O GLY A 129 -9.552 8.060 10.684 1.00 12.34 O ATOM 0 H GLY A 129 -7.596 11.226 9.407 1.00 72.31 H new ATOM 0 HA2 GLY A 129 -8.061 10.114 11.577 1.00 21.41 H new ATOM 0 HA3 GLY A 129 -9.713 10.679 11.429 1.00 21.41 H new ATOM 2041 N ASN A 130 -9.141 9.141 8.756 1.00 64.13 N ATOM 2042 CA ASN A 130 -9.457 7.982 7.910 1.00 63.33 C ATOM 2043 C ASN A 130 -8.192 7.317 7.345 1.00 54.14 C ATOM 2044 O ASN A 130 -7.748 7.642 6.244 1.00 70.01 O ATOM 2045 CB ASN A 130 -10.370 8.390 6.746 1.00 62.23 C ATOM 2046 CG ASN A 130 -11.797 8.684 7.163 1.00 55.40 C ATOM 2047 OD1 ASN A 130 -12.277 8.200 8.182 1.00 0.35 O ATOM 2048 ND2 ASN A 130 -12.503 9.439 6.349 1.00 54.10 N ATOM 0 H ASN A 130 -8.870 9.977 8.239 1.00 64.13 H new ATOM 0 HA ASN A 130 -9.970 7.262 8.547 1.00 63.33 H new ATOM 0 HB2 ASN A 130 -9.953 9.273 6.262 1.00 62.23 H new ATOM 0 HB3 ASN A 130 -10.375 7.592 6.003 1.00 62.23 H new ATOM 0 HD21 ASN A 130 -13.481 9.638 6.558 1.00 54.10 H new ATOM 0 HD22 ASN A 130 -12.072 9.826 5.509 1.00 54.10 H new ATOM 2055 N TYR A 131 -7.614 6.386 8.094 1.00 23.44 N ATOM 2056 CA TYR A 131 -6.459 5.627 7.603 1.00 50.33 C ATOM 2057 C TYR A 131 -6.889 4.645 6.506 1.00 43.41 C ATOM 2058 O TYR A 131 -6.249 4.538 5.460 1.00 31.33 O ATOM 2059 CB TYR A 131 -5.778 4.873 8.752 1.00 25.44 C ATOM 2060 CG TYR A 131 -5.246 5.780 9.845 1.00 32.20 C ATOM 2061 CD1 TYR A 131 -6.042 6.142 10.926 1.00 53.12 C ATOM 2062 CD2 TYR A 131 -3.943 6.268 9.797 1.00 34.14 C ATOM 2063 CE1 TYR A 131 -5.559 6.965 11.924 1.00 70.41 C ATOM 2064 CE2 TYR A 131 -3.453 7.089 10.793 1.00 43.14 C ATOM 2065 CZ TYR A 131 -4.264 7.435 11.853 1.00 41.52 C ATOM 2066 OH TYR A 131 -3.779 8.246 12.849 1.00 53.24 O ATOM 0 H TYR A 131 -7.918 6.136 9.035 1.00 23.44 H new ATOM 0 HA TYR A 131 -5.743 6.332 7.180 1.00 50.33 H new ATOM 0 HB2 TYR A 131 -6.490 4.173 9.188 1.00 25.44 H new ATOM 0 HB3 TYR A 131 -4.955 4.282 8.350 1.00 25.44 H new ATOM 0 HD1 TYR A 131 -7.055 5.773 10.986 1.00 53.12 H new ATOM 0 HD2 TYR A 131 -3.305 6.000 8.967 1.00 34.14 H new ATOM 0 HE1 TYR A 131 -6.191 7.239 12.755 1.00 70.41 H new ATOM 0 HE2 TYR A 131 -2.439 7.458 10.742 1.00 43.14 H new ATOM 0 HH TYR A 131 -3.002 7.820 13.268 1.00 53.24 H new ATOM 2076 N ALA A 132 -7.991 3.942 6.753 1.00 71.03 N ATOM 2077 CA ALA A 132 -8.547 2.990 5.789 1.00 35.11 C ATOM 2078 C ALA A 132 -8.957 3.680 4.479 1.00 42.52 C ATOM 2079 O ALA A 132 -8.637 3.208 3.389 1.00 4.43 O ATOM 2080 CB ALA A 132 -9.742 2.273 6.404 1.00 13.52 C ATOM 0 H ALA A 132 -8.523 4.013 7.621 1.00 71.03 H new ATOM 0 HA ALA A 132 -7.771 2.264 5.547 1.00 35.11 H new ATOM 0 HB1 ALA A 132 -10.152 1.566 5.683 1.00 13.52 H new ATOM 0 HB2 ALA A 132 -9.424 1.737 7.298 1.00 13.52 H new ATOM 0 HB3 ALA A 132 -10.506 3.003 6.672 1.00 13.52 H new ATOM 2086 N GLU A 133 -9.686 4.788 4.599 1.00 73.14 N ATOM 2087 CA GLU A 133 -10.109 5.577 3.435 1.00 15.12 C ATOM 2088 C GLU A 133 -8.893 6.139 2.674 1.00 15.10 C ATOM 2089 O GLU A 133 -8.880 6.170 1.442 1.00 50.14 O ATOM 2090 CB GLU A 133 -11.045 6.707 3.894 1.00 55.41 C ATOM 2091 CG GLU A 133 -11.749 7.456 2.770 1.00 50.14 C ATOM 2092 CD GLU A 133 -12.885 8.331 3.278 1.00 1.05 C ATOM 2093 OE1 GLU A 133 -14.018 7.816 3.410 1.00 44.15 O ATOM 2094 OE2 GLU A 133 -12.662 9.529 3.548 1.00 52.32 O ATOM 0 H GLU A 133 -9.999 5.164 5.494 1.00 73.14 H new ATOM 0 HA GLU A 133 -10.650 4.928 2.746 1.00 15.12 H new ATOM 0 HB2 GLU A 133 -11.800 6.286 4.558 1.00 55.41 H new ATOM 0 HB3 GLU A 133 -10.467 7.421 4.480 1.00 55.41 H new ATOM 0 HG2 GLU A 133 -11.025 8.076 2.241 1.00 50.14 H new ATOM 0 HG3 GLU A 133 -12.141 6.739 2.049 1.00 50.14 H new ATOM 2101 N GLY A 134 -7.869 6.563 3.418 1.00 33.13 N ATOM 2102 CA GLY A 134 -6.621 7.004 2.801 1.00 33.41 C ATOM 2103 C GLY A 134 -5.950 5.908 1.976 1.00 74.42 C ATOM 2104 O GLY A 134 -5.595 6.120 0.814 1.00 32.12 O ATOM 0 H GLY A 134 -7.880 6.609 4.437 1.00 33.13 H new ATOM 0 HA2 GLY A 134 -6.821 7.863 2.161 1.00 33.41 H new ATOM 0 HA3 GLY A 134 -5.935 7.339 3.579 1.00 33.41 H new ATOM 2108 N LEU A 135 -5.775 4.732 2.581 1.00 54.13 N ATOM 2109 CA LEU A 135 -5.233 3.566 1.869 1.00 45.43 C ATOM 2110 C LEU A 135 -6.097 3.220 0.647 1.00 54.13 C ATOM 2111 O LEU A 135 -5.580 2.926 -0.430 1.00 71.43 O ATOM 2112 CB LEU A 135 -5.158 2.350 2.805 1.00 64.25 C ATOM 2113 CG LEU A 135 -4.231 2.497 4.022 1.00 31.34 C ATOM 2114 CD1 LEU A 135 -4.300 1.251 4.899 1.00 35.11 C ATOM 2115 CD2 LEU A 135 -2.794 2.771 3.582 1.00 61.41 C ATOM 0 H LEU A 135 -5.999 4.559 3.561 1.00 54.13 H new ATOM 0 HA LEU A 135 -4.229 3.820 1.530 1.00 45.43 H new ATOM 0 HB2 LEU A 135 -6.163 2.129 3.163 1.00 64.25 H new ATOM 0 HB3 LEU A 135 -4.829 1.488 2.224 1.00 64.25 H new ATOM 0 HG LEU A 135 -4.571 3.350 4.609 1.00 31.34 H new ATOM 0 HD11 LEU A 135 -3.638 1.372 5.756 1.00 35.11 H new ATOM 0 HD12 LEU A 135 -5.323 1.108 5.248 1.00 35.11 H new ATOM 0 HD13 LEU A 135 -3.989 0.381 4.320 1.00 35.11 H new ATOM 0 HD21 LEU A 135 -2.157 2.871 4.461 1.00 61.41 H new ATOM 0 HD22 LEU A 135 -2.438 1.944 2.968 1.00 61.41 H new ATOM 0 HD23 LEU A 135 -2.761 3.694 3.003 1.00 61.41 H new ATOM 2127 N SER A 136 -7.417 3.254 0.836 1.00 62.40 N ATOM 2128 CA SER A 136 -8.381 3.003 -0.250 1.00 35.34 C ATOM 2129 C SER A 136 -8.095 3.877 -1.485 1.00 21.10 C ATOM 2130 O SER A 136 -7.887 3.358 -2.586 1.00 52.23 O ATOM 2131 CB SER A 136 -9.816 3.253 0.242 1.00 11.33 C ATOM 2132 OG SER A 136 -10.768 3.049 -0.795 1.00 74.01 O ATOM 0 H SER A 136 -7.851 3.454 1.737 1.00 62.40 H new ATOM 0 HA SER A 136 -8.273 1.959 -0.545 1.00 35.34 H new ATOM 0 HB2 SER A 136 -10.037 2.586 1.076 1.00 11.33 H new ATOM 0 HB3 SER A 136 -9.900 4.273 0.618 1.00 11.33 H new ATOM 0 HG SER A 136 -11.670 3.214 -0.448 1.00 74.01 H new ATOM 2138 N GLU A 137 -8.072 5.201 -1.300 1.00 73.51 N ATOM 2139 CA GLU A 137 -7.775 6.127 -2.407 1.00 23.22 C ATOM 2140 C GLU A 137 -6.352 5.928 -2.952 1.00 44.23 C ATOM 2141 O GLU A 137 -6.104 6.126 -4.141 1.00 63.53 O ATOM 2142 CB GLU A 137 -7.972 7.591 -1.978 1.00 32.34 C ATOM 2143 CG GLU A 137 -9.432 7.968 -1.728 1.00 24.21 C ATOM 2144 CD GLU A 137 -9.650 9.462 -1.516 1.00 24.43 C ATOM 2145 OE1 GLU A 137 -8.677 10.246 -1.602 1.00 13.34 O ATOM 2146 OE2 GLU A 137 -10.807 9.864 -1.261 1.00 41.42 O ATOM 0 H GLU A 137 -8.253 5.656 -0.405 1.00 73.51 H new ATOM 0 HA GLU A 137 -8.480 5.898 -3.206 1.00 23.22 H new ATOM 0 HB2 GLU A 137 -7.398 7.774 -1.070 1.00 32.34 H new ATOM 0 HB3 GLU A 137 -7.565 8.244 -2.750 1.00 32.34 H new ATOM 0 HG2 GLU A 137 -10.034 7.638 -2.575 1.00 24.21 H new ATOM 0 HG3 GLU A 137 -9.793 7.429 -0.852 1.00 24.21 H new ATOM 2153 N GLY A 138 -5.422 5.543 -2.078 1.00 51.02 N ATOM 2154 CA GLY A 138 -4.065 5.224 -2.516 1.00 21.23 C ATOM 2155 C GLY A 138 -4.031 4.061 -3.508 1.00 42.24 C ATOM 2156 O GLY A 138 -3.460 4.173 -4.595 1.00 44.41 O ATOM 0 H GLY A 138 -5.581 5.446 -1.075 1.00 51.02 H new ATOM 0 HA2 GLY A 138 -3.619 6.105 -2.978 1.00 21.23 H new ATOM 0 HA3 GLY A 138 -3.455 4.975 -1.648 1.00 21.23 H new ATOM 2160 N VAL A 139 -4.660 2.949 -3.130 1.00 64.52 N ATOM 2161 CA VAL A 139 -4.787 1.779 -4.009 1.00 22.24 C ATOM 2162 C VAL A 139 -5.521 2.142 -5.309 1.00 64.35 C ATOM 2163 O VAL A 139 -5.072 1.805 -6.409 1.00 30.15 O ATOM 2164 CB VAL A 139 -5.559 0.637 -3.304 1.00 54.35 C ATOM 2165 CG1 VAL A 139 -5.769 -0.551 -4.245 1.00 51.24 C ATOM 2166 CG2 VAL A 139 -4.838 0.200 -2.028 1.00 62.01 C ATOM 0 H VAL A 139 -5.094 2.830 -2.215 1.00 64.52 H new ATOM 0 HA VAL A 139 -3.777 1.444 -4.245 1.00 22.24 H new ATOM 0 HB VAL A 139 -6.541 1.020 -3.026 1.00 54.35 H new ATOM 0 HG11 VAL A 139 -6.314 -1.337 -3.722 1.00 51.24 H new ATOM 0 HG12 VAL A 139 -6.342 -0.229 -5.115 1.00 51.24 H new ATOM 0 HG13 VAL A 139 -4.801 -0.934 -4.569 1.00 51.24 H new ATOM 0 HG21 VAL A 139 -5.399 -0.603 -1.550 1.00 62.01 H new ATOM 0 HG22 VAL A 139 -3.838 -0.155 -2.278 1.00 62.01 H new ATOM 0 HG23 VAL A 139 -4.762 1.046 -1.345 1.00 62.01 H new ATOM 2176 N LEU A 140 -6.659 2.824 -5.162 1.00 20.20 N ATOM 2177 CA LEU A 140 -7.443 3.302 -6.307 1.00 52.11 C ATOM 2178 C LEU A 140 -6.571 4.125 -7.269 1.00 31.30 C ATOM 2179 O LEU A 140 -6.587 3.908 -8.478 1.00 41.45 O ATOM 2180 CB LEU A 140 -8.629 4.148 -5.818 1.00 71.42 C ATOM 2181 CG LEU A 140 -9.554 4.699 -6.919 1.00 51.22 C ATOM 2182 CD1 LEU A 140 -10.227 3.563 -7.687 1.00 12.11 C ATOM 2183 CD2 LEU A 140 -10.596 5.644 -6.325 1.00 14.41 C ATOM 0 H LEU A 140 -7.062 3.060 -4.255 1.00 20.20 H new ATOM 0 HA LEU A 140 -7.820 2.433 -6.847 1.00 52.11 H new ATOM 0 HB2 LEU A 140 -9.227 3.543 -5.136 1.00 71.42 H new ATOM 0 HB3 LEU A 140 -8.240 4.988 -5.242 1.00 71.42 H new ATOM 0 HG LEU A 140 -8.943 5.264 -7.623 1.00 51.22 H new ATOM 0 HD11 LEU A 140 -10.875 3.979 -8.459 1.00 12.11 H new ATOM 0 HD12 LEU A 140 -9.465 2.937 -8.152 1.00 12.11 H new ATOM 0 HD13 LEU A 140 -10.822 2.961 -7.000 1.00 12.11 H new ATOM 0 HD21 LEU A 140 -11.239 6.022 -7.120 1.00 14.41 H new ATOM 0 HD22 LEU A 140 -11.200 5.106 -5.594 1.00 14.41 H new ATOM 0 HD23 LEU A 140 -10.094 6.479 -5.837 1.00 14.41 H new ATOM 2195 N ALA A 141 -5.787 5.044 -6.710 1.00 61.55 N ATOM 2196 CA ALA A 141 -4.914 5.917 -7.508 1.00 71.43 C ATOM 2197 C ALA A 141 -3.921 5.105 -8.355 1.00 63.43 C ATOM 2198 O ALA A 141 -3.744 5.368 -9.548 1.00 31.04 O ATOM 2199 CB ALA A 141 -4.162 6.885 -6.598 1.00 35.12 C ATOM 0 H ALA A 141 -5.735 5.208 -5.705 1.00 61.55 H new ATOM 0 HA ALA A 141 -5.547 6.484 -8.191 1.00 71.43 H new ATOM 0 HB1 ALA A 141 -3.519 7.526 -7.201 1.00 35.12 H new ATOM 0 HB2 ALA A 141 -4.877 7.500 -6.051 1.00 35.12 H new ATOM 0 HB3 ALA A 141 -3.553 6.321 -5.892 1.00 35.12 H new ATOM 2205 N VAL A 142 -3.288 4.111 -7.735 1.00 25.52 N ATOM 2206 CA VAL A 142 -2.334 3.244 -8.436 1.00 44.35 C ATOM 2207 C VAL A 142 -3.002 2.506 -9.608 1.00 73.01 C ATOM 2208 O VAL A 142 -2.557 2.611 -10.754 1.00 12.11 O ATOM 2209 CB VAL A 142 -1.698 2.205 -7.479 1.00 64.24 C ATOM 2210 CG1 VAL A 142 -0.706 1.313 -8.226 1.00 75.00 C ATOM 2211 CG2 VAL A 142 -1.022 2.899 -6.297 1.00 23.53 C ATOM 0 H VAL A 142 -3.416 3.883 -6.749 1.00 25.52 H new ATOM 0 HA VAL A 142 -1.550 3.895 -8.824 1.00 44.35 H new ATOM 0 HB VAL A 142 -2.495 1.571 -7.089 1.00 64.24 H new ATOM 0 HG11 VAL A 142 -0.272 0.592 -7.533 1.00 75.00 H new ATOM 0 HG12 VAL A 142 -1.224 0.783 -9.025 1.00 75.00 H new ATOM 0 HG13 VAL A 142 0.086 1.928 -8.653 1.00 75.00 H new ATOM 0 HG21 VAL A 142 -0.582 2.150 -5.638 1.00 23.53 H new ATOM 0 HG22 VAL A 142 -0.240 3.563 -6.664 1.00 23.53 H new ATOM 0 HG23 VAL A 142 -1.761 3.479 -5.744 1.00 23.53 H new ATOM 2221 N GLN A 143 -4.072 1.762 -9.319 1.00 50.24 N ATOM 2222 CA GLN A 143 -4.778 1.011 -10.369 1.00 41.23 C ATOM 2223 C GLN A 143 -5.317 1.929 -11.482 1.00 11.44 C ATOM 2224 O GLN A 143 -5.320 1.547 -12.647 1.00 71.15 O ATOM 2225 CB GLN A 143 -5.912 0.147 -9.788 1.00 42.33 C ATOM 2226 CG GLN A 143 -7.011 0.921 -9.071 1.00 42.52 C ATOM 2227 CD GLN A 143 -8.185 0.042 -8.656 1.00 33.32 C ATOM 2228 OE1 GLN A 143 -9.318 0.499 -8.566 1.00 52.35 O ATOM 2229 NE2 GLN A 143 -7.929 -1.227 -8.398 1.00 0.41 N ATOM 0 H GLN A 143 -4.467 1.661 -8.384 1.00 50.24 H new ATOM 0 HA GLN A 143 -4.039 0.347 -10.818 1.00 41.23 H new ATOM 0 HB2 GLN A 143 -6.362 -0.427 -10.598 1.00 42.33 H new ATOM 0 HB3 GLN A 143 -5.480 -0.571 -9.091 1.00 42.33 H new ATOM 0 HG2 GLN A 143 -6.592 1.400 -8.186 1.00 42.52 H new ATOM 0 HG3 GLN A 143 -7.372 1.716 -9.723 1.00 42.52 H new ATOM 0 HE21 GLN A 143 -6.976 -1.582 -8.481 1.00 0.41 H new ATOM 0 HE22 GLN A 143 -8.684 -1.852 -8.116 1.00 0.41 H new ATOM 2238 N GLN A 144 -5.761 3.140 -11.130 1.00 60.34 N ATOM 2239 CA GLN A 144 -6.244 4.101 -12.138 1.00 12.34 C ATOM 2240 C GLN A 144 -5.150 4.442 -13.165 1.00 10.45 C ATOM 2241 O GLN A 144 -5.440 4.670 -14.342 1.00 32.12 O ATOM 2242 CB GLN A 144 -6.764 5.388 -11.475 1.00 32.42 C ATOM 2243 CG GLN A 144 -8.059 5.206 -10.680 1.00 60.10 C ATOM 2244 CD GLN A 144 -9.269 4.882 -11.550 1.00 75.31 C ATOM 2245 OE1 GLN A 144 -9.154 4.291 -12.620 1.00 71.23 O ATOM 2246 NE2 GLN A 144 -10.445 5.258 -11.094 1.00 75.14 N ATOM 0 H GLN A 144 -5.798 3.479 -10.169 1.00 60.34 H new ATOM 0 HA GLN A 144 -7.069 3.622 -12.665 1.00 12.34 H new ATOM 0 HB2 GLN A 144 -5.994 5.777 -10.809 1.00 32.42 H new ATOM 0 HB3 GLN A 144 -6.927 6.140 -12.247 1.00 32.42 H new ATOM 0 HG2 GLN A 144 -7.920 4.406 -9.953 1.00 60.10 H new ATOM 0 HG3 GLN A 144 -8.261 6.117 -10.116 1.00 60.10 H new ATOM 0 HE21 GLN A 144 -10.513 5.748 -10.202 1.00 75.14 H new ATOM 0 HE22 GLN A 144 -11.288 5.060 -11.633 1.00 75.14 H new ATOM 2255 N VAL A 145 -3.893 4.478 -12.720 1.00 23.22 N ATOM 2256 CA VAL A 145 -2.759 4.684 -13.629 1.00 1.13 C ATOM 2257 C VAL A 145 -2.606 3.489 -14.589 1.00 32.33 C ATOM 2258 O VAL A 145 -2.377 3.665 -15.788 1.00 74.35 O ATOM 2259 CB VAL A 145 -1.431 4.892 -12.855 1.00 40.53 C ATOM 2260 CG1 VAL A 145 -0.258 5.099 -13.818 1.00 13.33 C ATOM 2261 CG2 VAL A 145 -1.546 6.066 -11.883 1.00 74.42 C ATOM 0 H VAL A 145 -3.633 4.368 -11.740 1.00 23.22 H new ATOM 0 HA VAL A 145 -2.970 5.587 -14.201 1.00 1.13 H new ATOM 0 HB VAL A 145 -1.236 3.988 -12.277 1.00 40.53 H new ATOM 0 HG11 VAL A 145 0.660 5.242 -13.248 1.00 13.33 H new ATOM 0 HG12 VAL A 145 -0.154 4.223 -14.459 1.00 13.33 H new ATOM 0 HG13 VAL A 145 -0.444 5.979 -14.434 1.00 13.33 H new ATOM 0 HG21 VAL A 145 -0.603 6.192 -11.352 1.00 74.42 H new ATOM 0 HG22 VAL A 145 -1.775 6.976 -12.437 1.00 74.42 H new ATOM 0 HG23 VAL A 145 -2.342 5.868 -11.166 1.00 74.42 H new ATOM 2271 N LEU A 146 -2.749 2.278 -14.047 1.00 50.12 N ATOM 2272 CA LEU A 146 -2.645 1.046 -14.840 1.00 14.15 C ATOM 2273 C LEU A 146 -3.817 0.915 -15.829 1.00 72.14 C ATOM 2274 O LEU A 146 -3.616 0.797 -17.042 1.00 71.45 O ATOM 2275 CB LEU A 146 -2.595 -0.176 -13.908 1.00 23.45 C ATOM 2276 CG LEU A 146 -1.422 -0.195 -12.910 1.00 44.03 C ATOM 2277 CD1 LEU A 146 -1.485 -1.440 -12.027 1.00 0.31 C ATOM 2278 CD2 LEU A 146 -0.083 -0.116 -13.642 1.00 51.23 C ATOM 0 H LEU A 146 -2.938 2.121 -13.057 1.00 50.12 H new ATOM 0 HA LEU A 146 -1.723 1.093 -15.420 1.00 14.15 H new ATOM 0 HB2 LEU A 146 -3.528 -0.223 -13.347 1.00 23.45 H new ATOM 0 HB3 LEU A 146 -2.545 -1.077 -14.520 1.00 23.45 H new ATOM 0 HG LEU A 146 -1.508 0.682 -12.269 1.00 44.03 H new ATOM 0 HD11 LEU A 146 -0.648 -1.434 -11.329 1.00 0.31 H new ATOM 0 HD12 LEU A 146 -2.422 -1.444 -11.470 1.00 0.31 H new ATOM 0 HD13 LEU A 146 -1.431 -2.332 -12.651 1.00 0.31 H new ATOM 0 HD21 LEU A 146 0.730 -0.131 -12.916 1.00 51.23 H new ATOM 0 HD22 LEU A 146 0.015 -0.968 -14.314 1.00 51.23 H new ATOM 0 HD23 LEU A 146 -0.038 0.808 -14.219 1.00 51.23 H new ATOM 2290 N ASP A 147 -5.047 0.947 -15.306 1.00 21.41 N ATOM 2291 CA ASP A 147 -6.250 0.898 -16.145 1.00 22.54 C ATOM 2292 C ASP A 147 -6.254 2.029 -17.182 1.00 12.42 C ATOM 2293 O ASP A 147 -6.717 1.844 -18.308 1.00 11.34 O ATOM 2294 CB ASP A 147 -7.522 0.972 -15.287 1.00 22.13 C ATOM 2295 CG ASP A 147 -7.787 -0.309 -14.511 1.00 62.15 C ATOM 2296 OD1 ASP A 147 -7.804 -1.388 -15.137 1.00 31.10 O ATOM 2297 OD2 ASP A 147 -7.998 -0.244 -13.280 1.00 33.54 O ATOM 0 H ASP A 147 -5.236 1.007 -14.305 1.00 21.41 H new ATOM 0 HA ASP A 147 -6.237 -0.055 -16.674 1.00 22.54 H new ATOM 0 HB2 ASP A 147 -7.435 1.803 -14.587 1.00 22.13 H new ATOM 0 HB3 ASP A 147 -8.376 1.185 -15.930 1.00 22.13 H new ATOM 2302 N GLY A 148 -5.717 3.192 -16.799 1.00 21.13 N ATOM 2303 CA GLY A 148 -5.608 4.324 -17.718 1.00 72.24 C ATOM 2304 C GLY A 148 -5.003 3.943 -19.069 1.00 71.35 C ATOM 2305 O GLY A 148 -5.346 4.525 -20.104 1.00 74.21 O ATOM 0 H GLY A 148 -5.353 3.371 -15.863 1.00 21.13 H new ATOM 0 HA2 GLY A 148 -6.598 4.752 -17.877 1.00 72.24 H new ATOM 0 HA3 GLY A 148 -4.996 5.100 -17.258 1.00 72.24 H new ATOM 2309 N SER A 149 -4.105 2.958 -19.058 1.00 45.24 N ATOM 2310 CA SER A 149 -3.516 2.433 -20.296 1.00 11.33 C ATOM 2311 C SER A 149 -4.522 1.564 -21.066 1.00 2.25 C ATOM 2312 O SER A 149 -4.712 1.741 -22.270 1.00 22.02 O ATOM 2313 CB SER A 149 -2.253 1.614 -19.991 1.00 64.01 C ATOM 2314 OG SER A 149 -1.696 1.067 -21.178 1.00 62.12 O ATOM 0 H SER A 149 -3.768 2.506 -18.208 1.00 45.24 H new ATOM 0 HA SER A 149 -3.247 3.286 -20.918 1.00 11.33 H new ATOM 0 HB2 SER A 149 -1.515 2.248 -19.499 1.00 64.01 H new ATOM 0 HB3 SER A 149 -2.497 0.810 -19.296 1.00 64.01 H new ATOM 0 HG SER A 149 -0.893 0.552 -20.955 1.00 62.12 H new ATOM 2320 N LEU A 150 -5.184 0.641 -20.360 1.00 44.01 N ATOM 2321 CA LEU A 150 -6.135 -0.293 -20.991 1.00 15.42 C ATOM 2322 C LEU A 150 -7.418 0.405 -21.466 1.00 40.10 C ATOM 2323 O LEU A 150 -8.162 -0.139 -22.285 1.00 22.30 O ATOM 2324 CB LEU A 150 -6.490 -1.440 -20.031 1.00 14.52 C ATOM 2325 CG LEU A 150 -5.314 -2.344 -19.622 1.00 32.52 C ATOM 2326 CD1 LEU A 150 -5.811 -3.563 -18.848 1.00 1.02 C ATOM 2327 CD2 LEU A 150 -4.508 -2.768 -20.848 1.00 4.10 C ATOM 0 H LEU A 150 -5.082 0.517 -19.353 1.00 44.01 H new ATOM 0 HA LEU A 150 -5.636 -0.698 -21.871 1.00 15.42 H new ATOM 0 HB2 LEU A 150 -6.930 -1.014 -19.129 1.00 14.52 H new ATOM 0 HB3 LEU A 150 -7.257 -2.058 -20.498 1.00 14.52 H new ATOM 0 HG LEU A 150 -4.657 -1.773 -18.966 1.00 32.52 H new ATOM 0 HD11 LEU A 150 -4.962 -4.188 -18.569 1.00 1.02 H new ATOM 0 HD12 LEU A 150 -6.331 -3.235 -17.948 1.00 1.02 H new ATOM 0 HD13 LEU A 150 -6.494 -4.137 -19.473 1.00 1.02 H new ATOM 0 HD21 LEU A 150 -3.681 -3.407 -20.537 1.00 4.10 H new ATOM 0 HD22 LEU A 150 -5.152 -3.317 -21.535 1.00 4.10 H new ATOM 0 HD23 LEU A 150 -4.115 -1.883 -21.349 1.00 4.10 H new ATOM 2339 N GLU A 151 -7.679 1.603 -20.951 1.00 23.42 N ATOM 2340 CA GLU A 151 -8.824 2.411 -21.401 1.00 23.53 C ATOM 2341 C GLU A 151 -8.748 2.702 -22.915 1.00 43.15 C ATOM 2342 O GLU A 151 -9.756 3.026 -23.550 1.00 12.25 O ATOM 2343 CB GLU A 151 -8.882 3.728 -20.614 1.00 62.11 C ATOM 2344 CG GLU A 151 -9.187 3.556 -19.126 1.00 35.15 C ATOM 2345 CD GLU A 151 -10.552 2.932 -18.860 1.00 32.33 C ATOM 2346 OE1 GLU A 151 -11.571 3.531 -19.274 1.00 22.03 O ATOM 2347 OE2 GLU A 151 -10.618 1.856 -18.228 1.00 34.14 O ATOM 0 H GLU A 151 -7.117 2.042 -20.221 1.00 23.42 H new ATOM 0 HA GLU A 151 -9.733 1.839 -21.214 1.00 23.53 H new ATOM 0 HB2 GLU A 151 -7.928 4.244 -20.721 1.00 62.11 H new ATOM 0 HB3 GLU A 151 -9.643 4.370 -21.058 1.00 62.11 H new ATOM 0 HG2 GLU A 151 -8.416 2.933 -18.674 1.00 35.15 H new ATOM 0 HG3 GLU A 151 -9.138 4.529 -18.637 1.00 35.15 H new ATOM 2354 N HIS A 152 -7.544 2.581 -23.476 1.00 32.10 N ATOM 2355 CA HIS A 152 -7.318 2.737 -24.918 1.00 55.22 C ATOM 2356 C HIS A 152 -8.158 1.732 -25.730 1.00 52.45 C ATOM 2357 O HIS A 152 -7.794 0.562 -25.856 1.00 12.43 O ATOM 2358 CB HIS A 152 -5.822 2.549 -25.215 1.00 23.43 C ATOM 2359 CG HIS A 152 -5.458 2.609 -26.669 1.00 4.53 C ATOM 2360 ND1 HIS A 152 -5.154 1.489 -27.414 1.00 42.23 N ATOM 2361 CD2 HIS A 152 -5.326 3.660 -27.511 1.00 55.21 C ATOM 2362 CE1 HIS A 152 -4.853 1.846 -28.642 1.00 52.43 C ATOM 2363 NE2 HIS A 152 -4.950 3.156 -28.730 1.00 31.14 N ATOM 0 H HIS A 152 -6.698 2.372 -22.946 1.00 32.10 H new ATOM 0 HA HIS A 152 -7.630 3.738 -25.216 1.00 55.22 H new ATOM 0 HB2 HIS A 152 -5.261 3.317 -24.682 1.00 23.43 H new ATOM 0 HB3 HIS A 152 -5.504 1.586 -24.815 1.00 23.43 H new ATOM 0 HD2 HIS A 152 -5.487 4.700 -27.269 1.00 55.21 H new ATOM 0 HE1 HIS A 152 -4.573 1.178 -29.443 1.00 52.43 H new ATOM 0 HE2 HIS A 152 -4.774 3.708 -29.570 1.00 31.14 H new ATOM 2372 N HIS A 153 -9.284 2.193 -26.274 1.00 24.25 N ATOM 2373 CA HIS A 153 -10.188 1.327 -27.039 1.00 22.32 C ATOM 2374 C HIS A 153 -9.654 1.069 -28.456 1.00 72.52 C ATOM 2375 O HIS A 153 -9.619 1.976 -29.290 1.00 32.41 O ATOM 2376 CB HIS A 153 -11.591 1.952 -27.111 1.00 12.12 C ATOM 2377 CG HIS A 153 -12.575 1.136 -27.896 1.00 31.33 C ATOM 2378 ND1 HIS A 153 -13.120 1.551 -29.095 1.00 43.40 N ATOM 2379 CD2 HIS A 153 -13.113 -0.086 -27.653 1.00 11.14 C ATOM 2380 CE1 HIS A 153 -13.938 0.626 -29.550 1.00 72.22 C ATOM 2381 NE2 HIS A 153 -13.952 -0.378 -28.698 1.00 41.51 N ATOM 0 H HIS A 153 -9.594 3.162 -26.200 1.00 24.25 H new ATOM 0 HA HIS A 153 -10.247 0.369 -26.522 1.00 22.32 H new ATOM 0 HB2 HIS A 153 -11.971 2.088 -26.098 1.00 12.12 H new ATOM 0 HB3 HIS A 153 -11.515 2.943 -27.559 1.00 12.12 H new ATOM 0 HD2 HIS A 153 -12.917 -0.713 -26.795 1.00 11.14 H new ATOM 0 HE1 HIS A 153 -14.503 0.681 -30.469 1.00 72.22 H new ATOM 0 HE2 HIS A 153 -14.498 -1.234 -28.799 1.00 41.51 H new ATOM 2390 N HIS A 154 -9.244 -0.168 -28.730 1.00 53.24 N ATOM 2391 CA HIS A 154 -8.738 -0.534 -30.058 1.00 70.34 C ATOM 2392 C HIS A 154 -9.833 -1.198 -30.911 1.00 24.41 C ATOM 2393 O HIS A 154 -10.391 -2.230 -30.540 1.00 25.21 O ATOM 2394 CB HIS A 154 -7.507 -1.451 -29.945 1.00 61.14 C ATOM 2395 CG HIS A 154 -7.754 -2.763 -29.253 1.00 53.22 C ATOM 2396 ND1 HIS A 154 -7.573 -2.946 -27.900 1.00 35.54 N ATOM 2397 CD2 HIS A 154 -8.157 -3.966 -29.736 1.00 41.10 C ATOM 2398 CE1 HIS A 154 -7.850 -4.193 -27.581 1.00 41.43 C ATOM 2399 NE2 HIS A 154 -8.206 -4.832 -28.673 1.00 43.24 N ATOM 0 H HIS A 154 -9.251 -0.933 -28.056 1.00 53.24 H new ATOM 0 HA HIS A 154 -8.435 0.385 -30.559 1.00 70.34 H new ATOM 0 HB2 HIS A 154 -7.129 -1.652 -30.947 1.00 61.14 H new ATOM 0 HB3 HIS A 154 -6.722 -0.917 -29.409 1.00 61.14 H new ATOM 0 HD2 HIS A 154 -8.394 -4.198 -30.764 1.00 41.10 H new ATOM 0 HE1 HIS A 154 -7.794 -4.619 -26.590 1.00 41.43 H new ATOM 0 HE2 HIS A 154 -8.476 -5.815 -28.722 1.00 43.24 H new ATOM 2408 N HIS A 155 -10.144 -0.587 -32.049 1.00 63.41 N ATOM 2409 CA HIS A 155 -11.134 -1.131 -32.983 1.00 62.41 C ATOM 2410 C HIS A 155 -10.474 -2.055 -34.023 1.00 62.32 C ATOM 2411 O HIS A 155 -11.154 -2.828 -34.702 1.00 24.21 O ATOM 2412 CB HIS A 155 -11.870 0.017 -33.692 1.00 32.24 C ATOM 2413 CG HIS A 155 -12.806 -0.442 -34.769 1.00 5.33 C ATOM 2414 ND1 HIS A 155 -12.480 -0.403 -36.107 1.00 65.21 N ATOM 2415 CD2 HIS A 155 -14.051 -0.972 -34.706 1.00 34.34 C ATOM 2416 CE1 HIS A 155 -13.475 -0.886 -36.816 1.00 42.10 C ATOM 2417 NE2 HIS A 155 -14.442 -1.238 -35.995 1.00 40.50 N ATOM 0 H HIS A 155 -9.724 0.292 -32.352 1.00 63.41 H new ATOM 0 HA HIS A 155 -11.849 -1.723 -32.412 1.00 62.41 H new ATOM 0 HB2 HIS A 155 -12.432 0.588 -32.953 1.00 32.24 H new ATOM 0 HB3 HIS A 155 -11.135 0.695 -34.126 1.00 32.24 H new ATOM 0 HD2 HIS A 155 -14.627 -1.152 -33.811 1.00 34.34 H new ATOM 0 HE1 HIS A 155 -13.496 -0.979 -37.892 1.00 42.10 H new ATOM 0 HE2 HIS A 155 -15.337 -1.643 -36.272 1.00 40.50 H new ATOM 2426 N HIS A 156 -9.149 -1.966 -34.140 1.00 30.32 N ATOM 2427 CA HIS A 156 -8.397 -2.766 -35.113 1.00 53.51 C ATOM 2428 C HIS A 156 -8.654 -4.276 -34.939 1.00 71.34 C ATOM 2429 O HIS A 156 -8.359 -4.854 -33.891 1.00 2.42 O ATOM 2430 CB HIS A 156 -6.898 -2.468 -34.996 1.00 62.33 C ATOM 2431 CG HIS A 156 -6.068 -3.197 -36.005 1.00 63.52 C ATOM 2432 ND1 HIS A 156 -5.210 -4.222 -35.673 1.00 20.42 N ATOM 2433 CD2 HIS A 156 -5.965 -3.046 -37.348 1.00 4.00 C ATOM 2434 CE1 HIS A 156 -4.623 -4.672 -36.760 1.00 31.31 C ATOM 2435 NE2 HIS A 156 -5.063 -3.979 -37.791 1.00 73.33 N ATOM 0 H HIS A 156 -8.571 -1.347 -33.572 1.00 30.32 H new ATOM 0 HA HIS A 156 -8.745 -2.486 -36.107 1.00 53.51 H new ATOM 0 HB2 HIS A 156 -6.738 -1.396 -35.111 1.00 62.33 H new ATOM 0 HB3 HIS A 156 -6.559 -2.736 -33.995 1.00 62.33 H new ATOM 0 HD2 HIS A 156 -6.494 -2.326 -37.955 1.00 4.00 H new ATOM 0 HE1 HIS A 156 -3.902 -5.475 -36.801 1.00 31.31 H new ATOM 0 HE2 HIS A 156 -4.779 -4.115 -38.761 1.00 73.33 H new ATOM 2444 N HIS A 157 -9.193 -4.899 -35.984 1.00 1.13 N ATOM 2445 CA HIS A 157 -9.536 -6.329 -35.964 1.00 24.20 C ATOM 2446 C HIS A 157 -8.319 -7.213 -36.315 1.00 65.11 C ATOM 2447 O HIS A 157 -7.787 -7.898 -35.412 1.00 38.25 O ATOM 2448 CB HIS A 157 -10.690 -6.593 -36.947 1.00 30.00 C ATOM 2449 CG HIS A 157 -11.268 -7.974 -36.855 1.00 64.32 C ATOM 2450 ND1 HIS A 157 -12.359 -8.277 -36.072 1.00 32.42 N ATOM 2451 CD2 HIS A 157 -10.915 -9.133 -37.463 1.00 51.11 C ATOM 2452 CE1 HIS A 157 -12.650 -9.553 -36.197 1.00 21.14 C ATOM 2453 NE2 HIS A 157 -11.794 -10.097 -37.033 1.00 62.43 N ATOM 2454 OXT HIS A 157 -7.910 -7.230 -37.497 1.00 38.25 O ATOM 0 H HIS A 157 -9.406 -4.435 -36.867 1.00 1.13 H new ATOM 0 HA HIS A 157 -9.848 -6.592 -34.953 1.00 24.20 H new ATOM 0 HB2 HIS A 157 -11.482 -5.866 -36.765 1.00 30.00 H new ATOM 0 HB3 HIS A 157 -10.333 -6.427 -37.963 1.00 30.00 H new ATOM 0 HD2 HIS A 157 -10.097 -9.272 -38.155 1.00 51.11 H new ATOM 0 HE1 HIS A 157 -13.457 -10.068 -35.697 1.00 21.14 H new ATOM 0 HE2 HIS A 157 -11.784 -11.077 -37.317 1.00 62.43 H new TER 2463 HIS A 157