USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 972 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 20 CYS SG : rot 124:sc= -1.76! USER MOD Set 1.2: A 27 GLN : amide:sc= 0.578 K(o=0.63,f=-2.1) USER MOD Set 1.3: A 117 ASN : amide:sc= 0.745 K(o=0.63,f=-0.69) USER MOD Set 1.4: A 118 SER OG : rot 82:sc= 1.06 USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 THR OG1 : rot -150:sc= 0 USER MOD Set 2.3: A 103 ASN : amide:sc= 1.18 K(o=0.15,f=-9.2!) USER MOD Set 2.4: A 105 GLN : amide:sc= -1.03 X(o=0.15,f=0.41) USER MOD Set 3.1: A 73 LYS NZ :NH3+ -164:sc= 1.17 (180deg=1.08) USER MOD Set 3.2: A 90 TYR OH : rot -138:sc= 1.18 USER MOD Set 4.1: A 25 GLN : amide:sc= -0.971 K(o=-2.8,f=-1.5) USER MOD Set 4.2: A 26 GLN : amide:sc= -1.14 K(o=-2.8,f=-1.5) USER MOD Set 4.3: A 43 SER OG : rot 180:sc= -0.654 USER MOD Single : A 1 MET CE :methyl -126:sc= -0.342 (180deg=-1.77) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.069 (180deg=-0.231) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0.0593 K(o=0.059,f=-4.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 0:sc= -0.0391 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -84:sc= 1.12 USER MOD Single : A 35 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.7!) USER MOD Single : A 38 GLN : amide:sc= 0.0154 K(o=0.015,f=-3.3!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.347 K(o=-0.35,f=-6.1!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 52 SER OG : rot 117:sc= -2.44! USER MOD Single : A 55 SER OG : rot 132:sc= -0.328 USER MOD Single : A 62 HIS : no HD1:sc= -0.673 X(o=-0.67,f=-0.44) USER MOD Single : A 63 GLN : amide:sc= 0.942 K(o=0.94,f=-0.027) USER MOD Single : A 70 SER OG : rot 82:sc= 0.0438 USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= -0.168 (180deg=-0.59) USER MOD Single : A 75 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.66) USER MOD Single : A 76 HIS : no HD1:sc= -0.0709 X(o=-0.071,f=-0.56) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -72:sc= 1.23 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 107 SER OG : rot 71:sc= -0.116 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0549 USER MOD Single : A 119 GLN : amide:sc=-0.00357 X(o=-0.0036,f=-0.39) USER MOD Single : A 125 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.56) USER MOD Single : A 126 HIS : no HD1:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.0654 X(o=-0.065,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.380 -9.694 5.553 1.00 32.21 N ATOM 2 CA MET A 1 -20.406 -9.178 4.562 1.00 0.23 C ATOM 3 C MET A 1 -21.031 -9.116 3.170 1.00 70.22 C ATOM 4 O MET A 1 -21.333 -10.146 2.565 1.00 35.21 O ATOM 5 CB MET A 1 -19.142 -10.056 4.545 1.00 32.44 C ATOM 6 CG MET A 1 -19.420 -11.541 4.336 1.00 2.20 C ATOM 7 SD MET A 1 -17.925 -12.555 4.348 1.00 0.15 S ATOM 8 CE MET A 1 -17.077 -11.939 2.895 1.00 12.02 C ATOM 0 H1 MET A 1 -20.892 -9.888 6.451 1.00 32.21 H new ATOM 0 H2 MET A 1 -22.124 -8.985 5.710 1.00 32.21 H new ATOM 0 H3 MET A 1 -21.808 -10.572 5.195 1.00 32.21 H new ATOM 0 HA MET A 1 -20.124 -8.167 4.855 1.00 0.23 H new ATOM 0 HB2 MET A 1 -18.480 -9.706 3.753 1.00 32.44 H new ATOM 0 HB3 MET A 1 -18.609 -9.926 5.487 1.00 32.44 H new ATOM 0 HG2 MET A 1 -20.095 -11.891 5.117 1.00 2.20 H new ATOM 0 HG3 MET A 1 -19.936 -11.677 3.385 1.00 2.20 H new ATOM 0 HE1 MET A 1 -16.836 -12.772 2.234 1.00 12.02 H new ATOM 0 HE2 MET A 1 -17.721 -11.234 2.370 1.00 12.02 H new ATOM 0 HE3 MET A 1 -16.158 -11.436 3.196 1.00 12.02 H new ATOM 20 N SER A 2 -21.258 -7.903 2.680 1.00 30.55 N ATOM 21 CA SER A 2 -21.778 -7.714 1.333 1.00 55.22 C ATOM 22 C SER A 2 -20.686 -7.968 0.294 1.00 73.24 C ATOM 23 O SER A 2 -20.679 -9.007 -0.364 1.00 23.34 O ATOM 24 CB SER A 2 -22.356 -6.306 1.182 1.00 12.13 C ATOM 25 OG SER A 2 -23.365 -6.072 2.151 1.00 54.43 O ATOM 0 H SER A 2 -21.090 -7.038 3.194 1.00 30.55 H new ATOM 0 HA SER A 2 -22.578 -8.435 1.164 1.00 55.22 H new ATOM 0 HB2 SER A 2 -21.562 -5.568 1.291 1.00 12.13 H new ATOM 0 HB3 SER A 2 -22.770 -6.183 0.181 1.00 12.13 H new ATOM 0 HG SER A 2 -23.722 -5.166 2.040 1.00 54.43 H new ATOM 31 N GLN A 3 -19.762 -7.024 0.151 1.00 44.15 N ATOM 32 CA GLN A 3 -18.629 -7.201 -0.750 1.00 24.21 C ATOM 33 C GLN A 3 -17.318 -6.920 -0.023 1.00 63.12 C ATOM 34 O GLN A 3 -16.292 -6.632 -0.640 1.00 70.43 O ATOM 35 CB GLN A 3 -18.756 -6.319 -2.005 1.00 61.43 C ATOM 36 CG GLN A 3 -19.846 -5.251 -1.957 1.00 51.53 C ATOM 37 CD GLN A 3 -19.514 -4.068 -1.063 1.00 14.41 C ATOM 38 OE1 GLN A 3 -18.840 -4.201 -0.040 1.00 14.31 O ATOM 39 NE2 GLN A 3 -19.987 -2.893 -1.454 1.00 31.03 N ATOM 0 H GLN A 3 -19.775 -6.132 0.645 1.00 44.15 H new ATOM 0 HA GLN A 3 -18.629 -8.240 -1.080 1.00 24.21 H new ATOM 0 HB2 GLN A 3 -17.799 -5.827 -2.179 1.00 61.43 H new ATOM 0 HB3 GLN A 3 -18.943 -6.965 -2.863 1.00 61.43 H new ATOM 0 HG2 GLN A 3 -20.030 -4.888 -2.968 1.00 51.53 H new ATOM 0 HG3 GLN A 3 -20.772 -5.708 -1.609 1.00 51.53 H new ATOM 0 HE21 GLN A 3 -20.541 -2.825 -2.308 1.00 31.03 H new ATOM 0 HE22 GLN A 3 -19.797 -2.057 -0.901 1.00 31.03 H new ATOM 48 N TRP A 4 -17.365 -7.020 1.299 1.00 61.31 N ATOM 49 CA TRP A 4 -16.179 -6.849 2.127 1.00 74.45 C ATOM 50 C TRP A 4 -15.283 -8.075 2.017 1.00 3.13 C ATOM 51 O TRP A 4 -15.641 -9.157 2.477 1.00 31.34 O ATOM 52 CB TRP A 4 -16.566 -6.631 3.592 1.00 20.14 C ATOM 53 CG TRP A 4 -17.305 -5.355 3.847 1.00 62.51 C ATOM 54 CD1 TRP A 4 -18.654 -5.162 3.792 1.00 33.41 C ATOM 55 CD2 TRP A 4 -16.732 -4.093 4.203 1.00 15.02 C ATOM 56 NE1 TRP A 4 -18.955 -3.858 4.095 1.00 73.24 N ATOM 57 CE2 TRP A 4 -17.792 -3.181 4.353 1.00 44.31 C ATOM 58 CE3 TRP A 4 -15.426 -3.645 4.416 1.00 73.10 C ATOM 59 CZ2 TRP A 4 -17.587 -1.849 4.699 1.00 24.34 C ATOM 60 CZ3 TRP A 4 -15.223 -2.323 4.760 1.00 32.31 C ATOM 61 CH2 TRP A 4 -16.298 -1.439 4.902 1.00 15.02 C ATOM 0 H TRP A 4 -18.217 -7.220 1.823 1.00 61.31 H new ATOM 0 HA TRP A 4 -15.640 -5.971 1.771 1.00 74.45 H new ATOM 0 HB2 TRP A 4 -17.183 -7.467 3.922 1.00 20.14 H new ATOM 0 HB3 TRP A 4 -15.662 -6.642 4.201 1.00 20.14 H new ATOM 0 HD1 TRP A 4 -19.379 -5.924 3.546 1.00 33.41 H new ATOM 0 HE1 TRP A 4 -19.893 -3.457 4.124 1.00 73.24 H new ATOM 0 HE3 TRP A 4 -14.590 -4.321 4.313 1.00 73.10 H new ATOM 0 HZ2 TRP A 4 -18.415 -1.164 4.803 1.00 24.34 H new ATOM 0 HZ3 TRP A 4 -14.217 -1.965 4.922 1.00 32.31 H new ATOM 0 HH2 TRP A 4 -16.106 -0.412 5.177 1.00 15.02 H new ATOM 72 N THR A 5 -14.134 -7.904 1.393 1.00 73.12 N ATOM 73 CA THR A 5 -13.184 -8.989 1.238 1.00 71.01 C ATOM 74 C THR A 5 -12.139 -8.929 2.352 1.00 23.53 C ATOM 75 O THR A 5 -11.674 -7.848 2.716 1.00 25.40 O ATOM 76 CB THR A 5 -12.493 -8.906 -0.135 1.00 33.14 C ATOM 77 OG1 THR A 5 -13.475 -8.682 -1.153 1.00 12.44 O ATOM 78 CG2 THR A 5 -11.724 -10.184 -0.442 1.00 34.42 C ATOM 0 H THR A 5 -13.834 -7.019 0.983 1.00 73.12 H new ATOM 0 HA THR A 5 -13.721 -9.935 1.301 1.00 71.01 H new ATOM 0 HB THR A 5 -11.785 -8.078 -0.112 1.00 33.14 H new ATOM 0 HG1 THR A 5 -13.034 -8.628 -2.027 1.00 12.44 H new ATOM 0 HG21 THR A 5 -11.247 -10.096 -1.418 1.00 34.42 H new ATOM 0 HG22 THR A 5 -10.962 -10.343 0.321 1.00 34.42 H new ATOM 0 HG23 THR A 5 -12.412 -11.030 -0.450 1.00 34.42 H new ATOM 86 N THR A 6 -11.784 -10.079 2.900 1.00 22.34 N ATOM 87 CA THR A 6 -10.823 -10.132 3.987 1.00 54.42 C ATOM 88 C THR A 6 -9.394 -10.134 3.449 1.00 14.53 C ATOM 89 O THR A 6 -9.056 -10.917 2.561 1.00 12.44 O ATOM 90 CB THR A 6 -11.044 -11.383 4.858 1.00 32.34 C ATOM 91 OG1 THR A 6 -12.433 -11.497 5.202 1.00 1.22 O ATOM 92 CG2 THR A 6 -10.218 -11.307 6.133 1.00 53.11 C ATOM 0 H THR A 6 -12.147 -10.987 2.610 1.00 22.34 H new ATOM 0 HA THR A 6 -10.972 -9.243 4.600 1.00 54.42 H new ATOM 0 HB THR A 6 -10.730 -12.256 4.286 1.00 32.34 H new ATOM 0 HG1 THR A 6 -12.569 -12.295 5.754 1.00 1.22 H new ATOM 0 HG21 THR A 6 -10.390 -12.201 6.732 1.00 53.11 H new ATOM 0 HG22 THR A 6 -9.160 -11.239 5.878 1.00 53.11 H new ATOM 0 HG23 THR A 6 -10.510 -10.426 6.704 1.00 53.11 H new ATOM 100 N VAL A 7 -8.566 -9.236 3.970 1.00 3.14 N ATOM 101 CA VAL A 7 -7.165 -9.186 3.587 1.00 53.20 C ATOM 102 C VAL A 7 -6.320 -9.959 4.592 1.00 42.33 C ATOM 103 O VAL A 7 -5.889 -11.081 4.328 1.00 12.11 O ATOM 104 CB VAL A 7 -6.650 -7.732 3.499 1.00 12.13 C ATOM 105 CG1 VAL A 7 -5.207 -7.696 3.019 1.00 22.42 C ATOM 106 CG2 VAL A 7 -7.538 -6.905 2.587 1.00 11.10 C ATOM 0 H VAL A 7 -8.842 -8.535 4.657 1.00 3.14 H new ATOM 0 HA VAL A 7 -7.078 -9.641 2.600 1.00 53.20 H new ATOM 0 HB VAL A 7 -6.685 -7.299 4.499 1.00 12.13 H new ATOM 0 HG11 VAL A 7 -4.867 -6.662 2.965 1.00 22.42 H new ATOM 0 HG12 VAL A 7 -4.578 -8.249 3.716 1.00 22.42 H new ATOM 0 HG13 VAL A 7 -5.141 -8.151 2.031 1.00 22.42 H new ATOM 0 HG21 VAL A 7 -7.159 -5.884 2.538 1.00 11.10 H new ATOM 0 HG22 VAL A 7 -7.539 -7.340 1.588 1.00 11.10 H new ATOM 0 HG23 VAL A 7 -8.555 -6.896 2.980 1.00 11.10 H new ATOM 116 N CYS A 8 -6.112 -9.357 5.755 1.00 23.33 N ATOM 117 CA CYS A 8 -5.308 -9.956 6.814 1.00 32.03 C ATOM 118 C CYS A 8 -5.794 -9.453 8.170 1.00 31.00 C ATOM 119 O CYS A 8 -6.810 -8.756 8.248 1.00 5.13 O ATOM 120 CB CYS A 8 -3.827 -9.608 6.621 1.00 55.15 C ATOM 121 SG CYS A 8 -3.110 -10.221 5.074 1.00 31.14 S ATOM 0 H CYS A 8 -6.495 -8.442 5.992 1.00 23.33 H new ATOM 0 HA CYS A 8 -5.415 -11.040 6.773 1.00 32.03 H new ATOM 0 HB2 CYS A 8 -3.713 -8.525 6.656 1.00 55.15 H new ATOM 0 HB3 CYS A 8 -3.259 -10.015 7.457 1.00 55.15 H new ATOM 0 HG CYS A 8 -4.019 -10.857 4.396 1.00 31.14 H new ATOM 127 N LYS A 9 -5.081 -9.807 9.234 1.00 14.43 N ATOM 128 CA LYS A 9 -5.442 -9.352 10.573 1.00 24.01 C ATOM 129 C LYS A 9 -4.989 -7.915 10.785 1.00 13.34 C ATOM 130 O LYS A 9 -4.147 -7.408 10.051 1.00 14.24 O ATOM 131 CB LYS A 9 -4.766 -10.188 11.657 1.00 71.40 C ATOM 132 CG LYS A 9 -4.899 -11.689 11.525 1.00 10.54 C ATOM 133 CD LYS A 9 -4.085 -12.358 12.616 1.00 52.01 C ATOM 134 CE LYS A 9 -4.106 -13.869 12.514 1.00 64.51 C ATOM 135 NZ LYS A 9 -3.240 -14.495 13.549 1.00 33.52 N ATOM 0 H LYS A 9 -4.255 -10.404 9.197 1.00 14.43 H new ATOM 0 HA LYS A 9 -6.525 -9.445 10.648 1.00 24.01 H new ATOM 0 HB2 LYS A 9 -3.705 -9.938 11.670 1.00 71.40 H new ATOM 0 HB3 LYS A 9 -5.175 -9.892 12.623 1.00 71.40 H new ATOM 0 HG2 LYS A 9 -5.946 -11.982 11.604 1.00 10.54 H new ATOM 0 HG3 LYS A 9 -4.551 -12.012 10.544 1.00 10.54 H new ATOM 0 HD2 LYS A 9 -3.054 -12.008 12.562 1.00 52.01 H new ATOM 0 HD3 LYS A 9 -4.473 -12.058 13.589 1.00 52.01 H new ATOM 0 HE2 LYS A 9 -5.129 -14.229 12.627 1.00 64.51 H new ATOM 0 HE3 LYS A 9 -3.769 -14.173 11.523 1.00 64.51 H new ATOM 0 HZ1 LYS A 9 -3.276 -15.530 13.452 1.00 33.52 H new ATOM 0 HZ2 LYS A 9 -2.260 -14.170 13.425 1.00 33.52 H new ATOM 0 HZ3 LYS A 9 -3.578 -14.224 14.495 1.00 33.52 H new ATOM 149 N LEU A 10 -5.529 -7.278 11.814 1.00 34.13 N ATOM 150 CA LEU A 10 -4.995 -6.009 12.290 1.00 24.41 C ATOM 151 C LEU A 10 -3.702 -6.271 13.067 1.00 74.23 C ATOM 152 O LEU A 10 -2.870 -5.388 13.250 1.00 53.13 O ATOM 153 CB LEU A 10 -6.025 -5.308 13.181 1.00 64.12 C ATOM 154 CG LEU A 10 -5.591 -3.960 13.763 1.00 21.13 C ATOM 155 CD1 LEU A 10 -5.327 -2.952 12.655 1.00 31.13 C ATOM 156 CD2 LEU A 10 -6.647 -3.437 14.722 1.00 32.40 C ATOM 0 H LEU A 10 -6.337 -7.619 12.336 1.00 34.13 H new ATOM 0 HA LEU A 10 -4.779 -5.359 11.442 1.00 24.41 H new ATOM 0 HB2 LEU A 10 -6.936 -5.157 12.602 1.00 64.12 H new ATOM 0 HB3 LEU A 10 -6.278 -5.974 14.006 1.00 64.12 H new ATOM 0 HG LEU A 10 -4.662 -4.106 14.314 1.00 21.13 H new ATOM 0 HD11 LEU A 10 -5.020 -2.002 13.093 1.00 31.13 H new ATOM 0 HD12 LEU A 10 -4.535 -3.325 12.005 1.00 31.13 H new ATOM 0 HD13 LEU A 10 -6.236 -2.806 12.072 1.00 31.13 H new ATOM 0 HD21 LEU A 10 -6.326 -2.478 15.129 1.00 32.40 H new ATOM 0 HD22 LEU A 10 -7.590 -3.308 14.190 1.00 32.40 H new ATOM 0 HD23 LEU A 10 -6.784 -4.149 15.536 1.00 32.40 H new ATOM 168 N ASP A 11 -3.550 -7.518 13.496 1.00 35.55 N ATOM 169 CA ASP A 11 -2.382 -7.956 14.257 1.00 21.05 C ATOM 170 C ASP A 11 -1.296 -8.491 13.323 1.00 34.13 C ATOM 171 O ASP A 11 -0.109 -8.467 13.646 1.00 11.41 O ATOM 172 CB ASP A 11 -2.803 -9.037 15.261 1.00 31.12 C ATOM 173 CG ASP A 11 -1.631 -9.794 15.857 1.00 14.14 C ATOM 174 OD1 ASP A 11 -0.989 -9.273 16.793 1.00 72.43 O ATOM 175 OD2 ASP A 11 -1.366 -10.928 15.403 1.00 31.10 O ATOM 0 H ASP A 11 -4.233 -8.256 13.327 1.00 35.55 H new ATOM 0 HA ASP A 11 -1.971 -7.103 14.797 1.00 21.05 H new ATOM 0 HB2 ASP A 11 -3.373 -8.573 16.066 1.00 31.12 H new ATOM 0 HB3 ASP A 11 -3.468 -9.744 14.765 1.00 31.12 H new ATOM 180 N ASP A 12 -1.717 -8.961 12.154 1.00 30.31 N ATOM 181 CA ASP A 12 -0.795 -9.517 11.168 1.00 34.51 C ATOM 182 C ASP A 12 -0.042 -8.393 10.468 1.00 70.53 C ATOM 183 O ASP A 12 1.039 -8.592 9.914 1.00 42.10 O ATOM 184 CB ASP A 12 -1.563 -10.370 10.155 1.00 14.30 C ATOM 185 CG ASP A 12 -0.660 -11.045 9.142 1.00 2.45 C ATOM 186 OD1 ASP A 12 0.080 -11.976 9.522 1.00 4.52 O ATOM 187 OD2 ASP A 12 -0.701 -10.662 7.957 1.00 71.53 O ATOM 0 H ASP A 12 -2.695 -8.968 11.864 1.00 30.31 H new ATOM 0 HA ASP A 12 -0.070 -10.154 11.674 1.00 34.51 H new ATOM 0 HB2 ASP A 12 -2.134 -11.130 10.688 1.00 14.30 H new ATOM 0 HB3 ASP A 12 -2.282 -9.741 9.630 1.00 14.30 H new ATOM 192 N ILE A 13 -0.625 -7.203 10.515 1.00 5.44 N ATOM 193 CA ILE A 13 0.007 -6.018 9.961 1.00 42.31 C ATOM 194 C ILE A 13 0.708 -5.247 11.076 1.00 24.13 C ATOM 195 O ILE A 13 0.063 -4.592 11.895 1.00 34.25 O ATOM 196 CB ILE A 13 -1.020 -5.109 9.259 1.00 13.31 C ATOM 197 CG1 ILE A 13 -1.904 -5.943 8.324 1.00 51.31 C ATOM 198 CG2 ILE A 13 -0.303 -4.014 8.477 1.00 21.03 C ATOM 199 CD1 ILE A 13 -3.032 -5.161 7.684 1.00 24.24 C ATOM 0 H ILE A 13 -1.540 -7.034 10.934 1.00 5.44 H new ATOM 0 HA ILE A 13 0.736 -6.335 9.216 1.00 42.31 H new ATOM 0 HB ILE A 13 -1.653 -4.640 10.012 1.00 13.31 H new ATOM 0 HG12 ILE A 13 -1.282 -6.372 7.539 1.00 51.31 H new ATOM 0 HG13 ILE A 13 -2.326 -6.776 8.887 1.00 51.31 H new ATOM 0 HG21 ILE A 13 -1.038 -3.377 7.985 1.00 21.03 H new ATOM 0 HG22 ILE A 13 0.298 -3.413 9.160 1.00 21.03 H new ATOM 0 HG23 ILE A 13 0.345 -4.467 7.727 1.00 21.03 H new ATOM 0 HD11 ILE A 13 -3.611 -5.821 7.038 1.00 24.24 H new ATOM 0 HD12 ILE A 13 -3.679 -4.754 8.461 1.00 24.24 H new ATOM 0 HD13 ILE A 13 -2.619 -4.344 7.092 1.00 24.24 H new ATOM 211 N LEU A 14 2.029 -5.352 11.111 1.00 22.32 N ATOM 212 CA LEU A 14 2.827 -4.794 12.194 1.00 51.04 C ATOM 213 C LEU A 14 2.882 -3.269 12.135 1.00 23.21 C ATOM 214 O LEU A 14 2.822 -2.674 11.059 1.00 72.24 O ATOM 215 CB LEU A 14 4.245 -5.362 12.129 1.00 21.15 C ATOM 216 CG LEU A 14 4.347 -6.884 12.239 1.00 75.45 C ATOM 217 CD1 LEU A 14 5.792 -7.322 12.083 1.00 44.22 C ATOM 218 CD2 LEU A 14 3.781 -7.370 13.567 1.00 11.43 C ATOM 0 H LEU A 14 2.576 -5.825 10.392 1.00 22.32 H new ATOM 0 HA LEU A 14 2.353 -5.072 13.135 1.00 51.04 H new ATOM 0 HB2 LEU A 14 4.700 -5.051 11.189 1.00 21.15 H new ATOM 0 HB3 LEU A 14 4.834 -4.916 12.931 1.00 21.15 H new ATOM 0 HG LEU A 14 3.757 -7.329 11.438 1.00 75.45 H new ATOM 0 HD11 LEU A 14 5.854 -8.407 12.163 1.00 44.22 H new ATOM 0 HD12 LEU A 14 6.164 -7.008 11.108 1.00 44.22 H new ATOM 0 HD13 LEU A 14 6.397 -6.865 12.866 1.00 44.22 H new ATOM 0 HD21 LEU A 14 3.864 -8.455 13.623 1.00 11.43 H new ATOM 0 HD22 LEU A 14 4.341 -6.921 14.387 1.00 11.43 H new ATOM 0 HD23 LEU A 14 2.732 -7.082 13.643 1.00 11.43 H new ATOM 230 N PRO A 15 2.989 -2.619 13.301 1.00 53.22 N ATOM 231 CA PRO A 15 3.151 -1.166 13.392 1.00 60.10 C ATOM 232 C PRO A 15 4.425 -0.688 12.701 1.00 73.34 C ATOM 233 O PRO A 15 5.532 -1.093 13.063 1.00 71.15 O ATOM 234 CB PRO A 15 3.231 -0.901 14.897 1.00 34.24 C ATOM 235 CG PRO A 15 2.613 -2.098 15.533 1.00 63.45 C ATOM 236 CD PRO A 15 2.939 -3.249 14.630 1.00 14.33 C ATOM 0 HA PRO A 15 2.336 -0.635 12.900 1.00 60.10 H new ATOM 0 HB2 PRO A 15 4.264 -0.771 15.220 1.00 34.24 H new ATOM 0 HB3 PRO A 15 2.696 0.010 15.166 1.00 34.24 H new ATOM 0 HG2 PRO A 15 3.013 -2.260 16.534 1.00 63.45 H new ATOM 0 HG3 PRO A 15 1.535 -1.974 15.636 1.00 63.45 H new ATOM 0 HD2 PRO A 15 3.890 -3.713 14.893 1.00 14.33 H new ATOM 0 HD3 PRO A 15 2.179 -4.029 14.679 1.00 14.33 H new ATOM 244 N GLY A 16 4.258 0.163 11.705 1.00 41.05 N ATOM 245 CA GLY A 16 5.386 0.682 10.966 1.00 41.53 C ATOM 246 C GLY A 16 5.549 0.000 9.624 1.00 5.40 C ATOM 247 O GLY A 16 6.670 -0.175 9.139 1.00 53.44 O ATOM 0 H GLY A 16 3.350 0.507 11.392 1.00 41.05 H new ATOM 0 HA2 GLY A 16 5.258 1.754 10.814 1.00 41.53 H new ATOM 0 HA3 GLY A 16 6.295 0.550 11.552 1.00 41.53 H new ATOM 251 N THR A 17 4.432 -0.388 9.012 1.00 21.22 N ATOM 252 CA THR A 17 4.480 -1.088 7.737 1.00 53.22 C ATOM 253 C THR A 17 3.480 -0.508 6.742 1.00 54.23 C ATOM 254 O THR A 17 2.710 0.405 7.063 1.00 2.24 O ATOM 255 CB THR A 17 4.209 -2.600 7.895 1.00 30.31 C ATOM 256 OG1 THR A 17 2.916 -2.818 8.468 1.00 41.14 O ATOM 257 CG2 THR A 17 5.271 -3.266 8.757 1.00 31.24 C ATOM 0 H THR A 17 3.493 -0.230 9.377 1.00 21.22 H new ATOM 0 HA THR A 17 5.492 -0.950 7.355 1.00 53.22 H new ATOM 0 HB THR A 17 4.243 -3.047 6.901 1.00 30.31 H new ATOM 0 HG1 THR A 17 2.974 -2.747 9.444 1.00 41.14 H new ATOM 0 HG21 THR A 17 5.051 -4.330 8.848 1.00 31.24 H new ATOM 0 HG22 THR A 17 6.249 -3.136 8.294 1.00 31.24 H new ATOM 0 HG23 THR A 17 5.275 -2.810 9.747 1.00 31.24 H new ATOM 265 N GLY A 18 3.506 -1.050 5.536 1.00 74.12 N ATOM 266 CA GLY A 18 2.607 -0.624 4.489 1.00 1.40 C ATOM 267 C GLY A 18 2.908 -1.362 3.210 1.00 1.52 C ATOM 268 O GLY A 18 3.762 -0.935 2.432 1.00 20.13 O ATOM 0 H GLY A 18 4.149 -1.793 5.261 1.00 74.12 H new ATOM 0 HA2 GLY A 18 1.575 -0.808 4.789 1.00 1.40 H new ATOM 0 HA3 GLY A 18 2.706 0.450 4.329 1.00 1.40 H new ATOM 272 N VAL A 19 2.235 -2.486 2.996 1.00 55.24 N ATOM 273 CA VAL A 19 2.563 -3.360 1.877 1.00 14.13 C ATOM 274 C VAL A 19 1.391 -3.566 0.932 1.00 50.33 C ATOM 275 O VAL A 19 0.230 -3.475 1.340 1.00 3.33 O ATOM 276 CB VAL A 19 3.073 -4.736 2.357 1.00 14.14 C ATOM 277 CG1 VAL A 19 4.401 -4.597 3.088 1.00 73.00 C ATOM 278 CG2 VAL A 19 2.039 -5.418 3.244 1.00 34.14 C ATOM 0 H VAL A 19 1.464 -2.812 3.578 1.00 55.24 H new ATOM 0 HA VAL A 19 3.358 -2.851 1.332 1.00 14.13 H new ATOM 0 HB VAL A 19 3.233 -5.361 1.479 1.00 14.14 H new ATOM 0 HG11 VAL A 19 4.740 -5.579 3.417 1.00 73.00 H new ATOM 0 HG12 VAL A 19 5.142 -4.163 2.417 1.00 73.00 H new ATOM 0 HG13 VAL A 19 4.273 -3.949 3.955 1.00 73.00 H new ATOM 0 HG21 VAL A 19 2.421 -6.386 3.570 1.00 34.14 H new ATOM 0 HG22 VAL A 19 1.839 -4.795 4.115 1.00 34.14 H new ATOM 0 HG23 VAL A 19 1.116 -5.563 2.682 1.00 34.14 H new ATOM 288 N CYS A 20 1.709 -3.825 -0.338 1.00 53.45 N ATOM 289 CA CYS A 20 0.701 -4.124 -1.336 1.00 52.13 C ATOM 290 C CYS A 20 0.205 -5.558 -1.201 1.00 50.31 C ATOM 291 O CYS A 20 0.855 -6.501 -1.652 1.00 5.32 O ATOM 292 CB CYS A 20 1.272 -3.889 -2.733 1.00 22.01 C ATOM 293 SG CYS A 20 2.937 -4.549 -2.966 1.00 44.40 S ATOM 0 H CYS A 20 2.665 -3.832 -0.693 1.00 53.45 H new ATOM 0 HA CYS A 20 -0.149 -3.460 -1.179 1.00 52.13 H new ATOM 0 HB2 CYS A 20 0.606 -4.342 -3.467 1.00 22.01 H new ATOM 0 HB3 CYS A 20 1.285 -2.818 -2.933 1.00 22.01 H new ATOM 0 HG CYS A 20 2.944 -5.359 -3.983 1.00 44.40 H new ATOM 299 N ALA A 21 -0.937 -5.715 -0.557 1.00 51.01 N ATOM 300 CA ALA A 21 -1.556 -7.018 -0.413 1.00 34.42 C ATOM 301 C ALA A 21 -2.314 -7.372 -1.682 1.00 25.20 C ATOM 302 O ALA A 21 -3.125 -6.582 -2.169 1.00 53.04 O ATOM 303 CB ALA A 21 -2.486 -7.032 0.790 1.00 42.30 C ATOM 0 H ALA A 21 -1.456 -4.951 -0.124 1.00 51.01 H new ATOM 0 HA ALA A 21 -0.779 -7.765 -0.250 1.00 34.42 H new ATOM 0 HB1 ALA A 21 -2.943 -8.017 0.885 1.00 42.30 H new ATOM 0 HB2 ALA A 21 -1.917 -6.807 1.692 1.00 42.30 H new ATOM 0 HB3 ALA A 21 -3.265 -6.282 0.656 1.00 42.30 H new ATOM 309 N LEU A 22 -2.030 -8.542 -2.230 1.00 24.14 N ATOM 310 CA LEU A 22 -2.679 -8.971 -3.456 1.00 52.25 C ATOM 311 C LEU A 22 -4.067 -9.512 -3.146 1.00 22.35 C ATOM 312 O LEU A 22 -4.215 -10.546 -2.489 1.00 15.35 O ATOM 313 CB LEU A 22 -1.829 -10.028 -4.180 1.00 53.22 C ATOM 314 CG LEU A 22 -2.198 -10.299 -5.650 1.00 42.13 C ATOM 315 CD1 LEU A 22 -3.473 -11.121 -5.767 1.00 13.34 C ATOM 316 CD2 LEU A 22 -2.347 -8.991 -6.409 1.00 4.11 C ATOM 0 H LEU A 22 -1.358 -9.208 -1.848 1.00 24.14 H new ATOM 0 HA LEU A 22 -2.780 -8.112 -4.119 1.00 52.25 H new ATOM 0 HB2 LEU A 22 -0.785 -9.716 -4.140 1.00 53.22 H new ATOM 0 HB3 LEU A 22 -1.903 -10.965 -3.629 1.00 53.22 H new ATOM 0 HG LEU A 22 -1.386 -10.878 -6.091 1.00 42.13 H new ATOM 0 HD11 LEU A 22 -3.701 -11.292 -6.819 1.00 13.34 H new ATOM 0 HD12 LEU A 22 -3.336 -12.079 -5.266 1.00 13.34 H new ATOM 0 HD13 LEU A 22 -4.297 -10.582 -5.300 1.00 13.34 H new ATOM 0 HD21 LEU A 22 -2.608 -9.200 -7.446 1.00 4.11 H new ATOM 0 HD22 LEU A 22 -3.134 -8.392 -5.951 1.00 4.11 H new ATOM 0 HD23 LEU A 22 -1.406 -8.441 -6.375 1.00 4.11 H new ATOM 328 N VAL A 23 -5.077 -8.788 -3.598 1.00 43.02 N ATOM 329 CA VAL A 23 -6.455 -9.216 -3.446 1.00 11.13 C ATOM 330 C VAL A 23 -7.107 -9.339 -4.818 1.00 31.13 C ATOM 331 O VAL A 23 -7.365 -8.330 -5.482 1.00 40.03 O ATOM 332 CB VAL A 23 -7.268 -8.237 -2.566 1.00 72.41 C ATOM 333 CG1 VAL A 23 -8.699 -8.730 -2.391 1.00 44.24 C ATOM 334 CG2 VAL A 23 -6.600 -8.047 -1.211 1.00 2.32 C ATOM 0 H VAL A 23 -4.965 -7.894 -4.077 1.00 43.02 H new ATOM 0 HA VAL A 23 -6.451 -10.185 -2.947 1.00 11.13 H new ATOM 0 HB VAL A 23 -7.297 -7.272 -3.072 1.00 72.41 H new ATOM 0 HG11 VAL A 23 -9.253 -8.027 -1.769 1.00 44.24 H new ATOM 0 HG12 VAL A 23 -9.179 -8.807 -3.367 1.00 44.24 H new ATOM 0 HG13 VAL A 23 -8.691 -9.709 -1.912 1.00 44.24 H new ATOM 0 HG21 VAL A 23 -7.189 -7.355 -0.609 1.00 2.32 H new ATOM 0 HG22 VAL A 23 -6.534 -9.007 -0.700 1.00 2.32 H new ATOM 0 HG23 VAL A 23 -5.598 -7.642 -1.353 1.00 2.32 H new ATOM 344 N GLU A 24 -7.331 -10.581 -5.242 1.00 54.51 N ATOM 345 CA GLU A 24 -7.961 -10.890 -6.530 1.00 35.30 C ATOM 346 C GLU A 24 -7.073 -10.487 -7.707 1.00 15.22 C ATOM 347 O GLU A 24 -6.386 -11.325 -8.294 1.00 21.44 O ATOM 348 CB GLU A 24 -9.334 -10.215 -6.644 1.00 52.34 C ATOM 349 CG GLU A 24 -10.299 -10.621 -5.544 1.00 13.53 C ATOM 350 CD GLU A 24 -10.503 -12.120 -5.487 1.00 63.33 C ATOM 351 OE1 GLU A 24 -11.280 -12.645 -6.312 1.00 5.32 O ATOM 352 OE2 GLU A 24 -9.884 -12.779 -4.623 1.00 72.11 O ATOM 0 H GLU A 24 -7.080 -11.408 -4.701 1.00 54.51 H new ATOM 0 HA GLU A 24 -8.098 -11.971 -6.570 1.00 35.30 H new ATOM 0 HB2 GLU A 24 -9.202 -9.133 -6.620 1.00 52.34 H new ATOM 0 HB3 GLU A 24 -9.773 -10.461 -7.611 1.00 52.34 H new ATOM 0 HG2 GLU A 24 -9.921 -10.271 -4.584 1.00 13.53 H new ATOM 0 HG3 GLU A 24 -11.259 -10.131 -5.706 1.00 13.53 H new ATOM 359 N GLN A 25 -7.091 -9.207 -8.040 1.00 31.25 N ATOM 360 CA GLN A 25 -6.307 -8.686 -9.153 1.00 43.12 C ATOM 361 C GLN A 25 -5.685 -7.348 -8.776 1.00 74.35 C ATOM 362 O GLN A 25 -4.991 -6.720 -9.574 1.00 65.02 O ATOM 363 CB GLN A 25 -7.204 -8.510 -10.384 1.00 31.44 C ATOM 364 CG GLN A 25 -8.327 -7.504 -10.171 1.00 21.41 C ATOM 365 CD GLN A 25 -9.257 -7.378 -11.364 1.00 1.12 C ATOM 366 OE1 GLN A 25 -9.802 -6.308 -11.629 1.00 75.33 O ATOM 367 NE2 GLN A 25 -9.465 -8.472 -12.081 1.00 33.05 N ATOM 0 H GLN A 25 -7.644 -8.503 -7.552 1.00 31.25 H new ATOM 0 HA GLN A 25 -5.511 -9.394 -9.385 1.00 43.12 H new ATOM 0 HB2 GLN A 25 -6.593 -8.189 -11.228 1.00 31.44 H new ATOM 0 HB3 GLN A 25 -7.635 -9.475 -10.652 1.00 31.44 H new ATOM 0 HG2 GLN A 25 -8.907 -7.798 -9.297 1.00 21.41 H new ATOM 0 HG3 GLN A 25 -7.894 -6.528 -9.952 1.00 21.41 H new ATOM 0 HE21 GLN A 25 -8.995 -9.342 -11.831 1.00 33.05 H new ATOM 0 HE22 GLN A 25 -10.095 -8.444 -12.883 1.00 33.05 H new ATOM 376 N GLN A 26 -5.940 -6.917 -7.551 1.00 71.31 N ATOM 377 CA GLN A 26 -5.540 -5.597 -7.108 1.00 72.41 C ATOM 378 C GLN A 26 -4.521 -5.678 -5.983 1.00 72.44 C ATOM 379 O GLN A 26 -4.719 -6.401 -5.007 1.00 53.03 O ATOM 380 CB GLN A 26 -6.771 -4.828 -6.630 1.00 15.32 C ATOM 381 CG GLN A 26 -7.823 -4.626 -7.712 1.00 75.53 C ATOM 382 CD GLN A 26 -7.389 -3.642 -8.781 1.00 63.34 C ATOM 383 OE1 GLN A 26 -7.736 -3.788 -9.952 1.00 12.12 O ATOM 384 NE2 GLN A 26 -6.661 -2.612 -8.383 1.00 62.00 N ATOM 0 H GLN A 26 -6.426 -7.469 -6.844 1.00 71.31 H new ATOM 0 HA GLN A 26 -5.078 -5.078 -7.948 1.00 72.41 H new ATOM 0 HB2 GLN A 26 -7.221 -5.363 -5.793 1.00 15.32 H new ATOM 0 HB3 GLN A 26 -6.457 -3.854 -6.254 1.00 15.32 H new ATOM 0 HG2 GLN A 26 -8.046 -5.586 -8.178 1.00 75.53 H new ATOM 0 HG3 GLN A 26 -8.746 -4.272 -7.253 1.00 75.53 H new ATOM 0 HE21 GLN A 26 -6.393 -2.526 -7.403 1.00 62.00 H new ATOM 0 HE22 GLN A 26 -6.368 -1.904 -9.056 1.00 62.00 H new ATOM 393 N GLN A 27 -3.426 -4.950 -6.130 1.00 72.51 N ATOM 394 CA GLN A 27 -2.474 -4.797 -5.044 1.00 14.20 C ATOM 395 C GLN A 27 -2.865 -3.598 -4.197 1.00 1.22 C ATOM 396 O GLN A 27 -2.845 -2.459 -4.664 1.00 51.45 O ATOM 397 CB GLN A 27 -1.043 -4.644 -5.562 1.00 35.22 C ATOM 398 CG GLN A 27 -0.449 -5.939 -6.088 1.00 23.35 C ATOM 399 CD GLN A 27 1.046 -5.844 -6.317 1.00 21.12 C ATOM 400 OE1 GLN A 27 1.839 -6.102 -5.413 1.00 0.33 O ATOM 401 NE2 GLN A 27 1.444 -5.491 -7.528 1.00 11.24 N ATOM 0 H GLN A 27 -3.176 -4.458 -6.988 1.00 72.51 H new ATOM 0 HA GLN A 27 -2.500 -5.700 -4.435 1.00 14.20 H new ATOM 0 HB2 GLN A 27 -1.030 -3.898 -6.357 1.00 35.22 H new ATOM 0 HB3 GLN A 27 -0.412 -4.264 -4.758 1.00 35.22 H new ATOM 0 HG2 GLN A 27 -0.654 -6.742 -5.380 1.00 23.35 H new ATOM 0 HG3 GLN A 27 -0.940 -6.206 -7.024 1.00 23.35 H new ATOM 0 HE21 GLN A 27 0.755 -5.285 -8.251 1.00 11.24 H new ATOM 0 HE22 GLN A 27 2.440 -5.425 -7.738 1.00 11.24 H new ATOM 410 N ILE A 28 -3.244 -3.866 -2.965 1.00 23.12 N ATOM 411 CA ILE A 28 -3.728 -2.832 -2.070 1.00 43.43 C ATOM 412 C ILE A 28 -2.722 -2.572 -0.957 1.00 74.01 C ATOM 413 O ILE A 28 -2.415 -3.461 -0.165 1.00 1.44 O ATOM 414 CB ILE A 28 -5.085 -3.246 -1.460 1.00 13.11 C ATOM 415 CG1 ILE A 28 -6.095 -3.555 -2.573 1.00 34.42 C ATOM 416 CG2 ILE A 28 -5.616 -2.154 -0.548 1.00 10.30 C ATOM 417 CD1 ILE A 28 -7.434 -4.049 -2.064 1.00 51.31 C ATOM 0 H ILE A 28 -3.226 -4.800 -2.556 1.00 23.12 H new ATOM 0 HA ILE A 28 -3.859 -1.916 -2.646 1.00 43.43 H new ATOM 0 HB ILE A 28 -4.937 -4.147 -0.864 1.00 13.11 H new ATOM 0 HG12 ILE A 28 -6.252 -2.655 -3.168 1.00 34.42 H new ATOM 0 HG13 ILE A 28 -5.670 -4.307 -3.238 1.00 34.42 H new ATOM 0 HG21 ILE A 28 -6.573 -2.464 -0.128 1.00 10.30 H new ATOM 0 HG22 ILE A 28 -4.905 -1.977 0.259 1.00 10.30 H new ATOM 0 HG23 ILE A 28 -5.752 -1.236 -1.120 1.00 10.30 H new ATOM 0 HD11 ILE A 28 -8.094 -4.246 -2.909 1.00 51.31 H new ATOM 0 HD12 ILE A 28 -7.290 -4.967 -1.494 1.00 51.31 H new ATOM 0 HD13 ILE A 28 -7.882 -3.290 -1.423 1.00 51.31 H new ATOM 429 N ALA A 29 -2.205 -1.353 -0.914 1.00 34.33 N ATOM 430 CA ALA A 29 -1.233 -0.965 0.094 1.00 72.32 C ATOM 431 C ALA A 29 -1.937 -0.641 1.402 1.00 51.13 C ATOM 432 O ALA A 29 -2.778 0.258 1.458 1.00 34.35 O ATOM 433 CB ALA A 29 -0.424 0.233 -0.383 1.00 52.51 C ATOM 0 H ALA A 29 -2.446 -0.611 -1.572 1.00 34.33 H new ATOM 0 HA ALA A 29 -0.550 -1.798 0.261 1.00 72.32 H new ATOM 0 HB1 ALA A 29 0.300 0.512 0.383 1.00 52.51 H new ATOM 0 HB2 ALA A 29 0.102 -0.026 -1.302 1.00 52.51 H new ATOM 0 HB3 ALA A 29 -1.093 1.072 -0.572 1.00 52.51 H new ATOM 439 N VAL A 30 -1.603 -1.381 2.445 1.00 74.52 N ATOM 440 CA VAL A 30 -2.232 -1.177 3.744 1.00 14.34 C ATOM 441 C VAL A 30 -1.307 -0.377 4.648 1.00 74.54 C ATOM 442 O VAL A 30 -0.287 -0.888 5.108 1.00 2.45 O ATOM 443 CB VAL A 30 -2.574 -2.512 4.435 1.00 23.20 C ATOM 444 CG1 VAL A 30 -3.425 -2.269 5.672 1.00 5.44 C ATOM 445 CG2 VAL A 30 -3.282 -3.454 3.472 1.00 23.14 C ATOM 0 H VAL A 30 -0.905 -2.124 2.422 1.00 74.52 H new ATOM 0 HA VAL A 30 -3.160 -0.632 3.572 1.00 14.34 H new ATOM 0 HB VAL A 30 -1.642 -2.984 4.746 1.00 23.20 H new ATOM 0 HG11 VAL A 30 -3.657 -3.222 6.147 1.00 5.44 H new ATOM 0 HG12 VAL A 30 -2.877 -1.638 6.372 1.00 5.44 H new ATOM 0 HG13 VAL A 30 -4.352 -1.772 5.384 1.00 5.44 H new ATOM 0 HG21 VAL A 30 -3.513 -4.389 3.982 1.00 23.14 H new ATOM 0 HG22 VAL A 30 -4.206 -2.992 3.124 1.00 23.14 H new ATOM 0 HG23 VAL A 30 -2.634 -3.656 2.619 1.00 23.14 H new ATOM 455 N PHE A 31 -1.664 0.873 4.893 1.00 75.24 N ATOM 456 CA PHE A 31 -0.833 1.765 5.687 1.00 4.11 C ATOM 457 C PHE A 31 -1.015 1.486 7.172 1.00 72.21 C ATOM 458 O PHE A 31 -2.117 1.630 7.710 1.00 32.14 O ATOM 459 CB PHE A 31 -1.186 3.228 5.399 1.00 20.03 C ATOM 460 CG PHE A 31 -1.232 3.562 3.937 1.00 32.42 C ATOM 461 CD1 PHE A 31 -0.099 3.448 3.148 1.00 12.00 C ATOM 462 CD2 PHE A 31 -2.411 3.993 3.351 1.00 33.52 C ATOM 463 CE1 PHE A 31 -0.143 3.757 1.804 1.00 71.44 C ATOM 464 CE2 PHE A 31 -2.460 4.303 2.008 1.00 42.03 C ATOM 465 CZ PHE A 31 -1.324 4.184 1.233 1.00 22.22 C ATOM 0 H PHE A 31 -2.528 1.295 4.552 1.00 75.24 H new ATOM 0 HA PHE A 31 0.207 1.586 5.414 1.00 4.11 H new ATOM 0 HB2 PHE A 31 -2.155 3.453 5.844 1.00 20.03 H new ATOM 0 HB3 PHE A 31 -0.454 3.872 5.887 1.00 20.03 H new ATOM 0 HD1 PHE A 31 0.828 3.114 3.589 1.00 12.00 H new ATOM 0 HD2 PHE A 31 -3.303 4.087 3.953 1.00 33.52 H new ATOM 0 HE1 PHE A 31 0.747 3.665 1.199 1.00 71.44 H new ATOM 0 HE2 PHE A 31 -3.385 4.638 1.564 1.00 42.03 H new ATOM 0 HZ PHE A 31 -1.360 4.425 0.181 1.00 22.22 H new ATOM 475 N ARG A 32 0.058 1.084 7.835 1.00 53.32 N ATOM 476 CA ARG A 32 0.005 0.833 9.263 1.00 21.03 C ATOM 477 C ARG A 32 1.157 1.535 9.980 1.00 34.45 C ATOM 478 O ARG A 32 2.132 0.897 10.360 1.00 54.40 O ATOM 479 CB ARG A 32 0.043 -0.671 9.551 1.00 43.33 C ATOM 480 CG ARG A 32 -0.903 -1.097 10.661 1.00 0.11 C ATOM 481 CD ARG A 32 -0.645 -0.322 11.941 1.00 51.42 C ATOM 482 NE ARG A 32 -1.846 -0.194 12.763 1.00 43.34 N ATOM 483 CZ ARG A 32 -2.905 0.541 12.421 1.00 64.53 C ATOM 484 NH1 ARG A 32 -2.918 1.226 11.282 1.00 72.21 N ATOM 485 NH2 ARG A 32 -3.950 0.605 13.222 1.00 71.24 N ATOM 0 H ARG A 32 0.971 0.926 7.408 1.00 53.32 H new ATOM 0 HA ARG A 32 -0.935 1.236 9.640 1.00 21.03 H new ATOM 0 HB2 ARG A 32 -0.209 -1.214 8.640 1.00 43.33 H new ATOM 0 HB3 ARG A 32 1.060 -0.956 9.821 1.00 43.33 H new ATOM 0 HG2 ARG A 32 -1.934 -0.941 10.342 1.00 0.11 H new ATOM 0 HG3 ARG A 32 -0.786 -2.164 10.851 1.00 0.11 H new ATOM 0 HD2 ARG A 32 0.134 -0.823 12.516 1.00 51.42 H new ATOM 0 HD3 ARG A 32 -0.270 0.671 11.693 1.00 51.42 H new ATOM 0 HE ARG A 32 -1.876 -0.696 13.650 1.00 43.34 H new ATOM 0 HH11 ARG A 32 -2.112 1.193 10.658 1.00 72.21 H new ATOM 0 HH12 ARG A 32 -3.734 1.784 11.032 1.00 72.21 H new ATOM 0 HH21 ARG A 32 -3.949 0.092 14.104 1.00 71.24 H new ATOM 0 HH22 ARG A 32 -4.760 1.167 12.960 1.00 71.24 H new ATOM 499 N PRO A 33 1.067 2.865 10.154 1.00 54.31 N ATOM 500 CA PRO A 33 2.090 3.650 10.845 1.00 50.31 C ATOM 501 C PRO A 33 1.884 3.700 12.362 1.00 13.21 C ATOM 502 O PRO A 33 2.848 3.721 13.127 1.00 52.50 O ATOM 503 CB PRO A 33 1.929 5.057 10.245 1.00 30.20 C ATOM 504 CG PRO A 33 0.722 5.008 9.352 1.00 34.34 C ATOM 505 CD PRO A 33 -0.007 3.729 9.661 1.00 33.24 C ATOM 0 HA PRO A 33 3.081 3.216 10.710 1.00 50.31 H new ATOM 0 HB2 PRO A 33 1.799 5.801 11.031 1.00 30.20 H new ATOM 0 HB3 PRO A 33 2.817 5.341 9.681 1.00 30.20 H new ATOM 0 HG2 PRO A 33 0.078 5.870 9.527 1.00 34.34 H new ATOM 0 HG3 PRO A 33 1.018 5.039 8.303 1.00 34.34 H new ATOM 0 HD2 PRO A 33 -0.786 3.876 10.409 1.00 33.24 H new ATOM 0 HD3 PRO A 33 -0.489 3.313 8.777 1.00 33.24 H new ATOM 513 N ARG A 34 0.625 3.723 12.789 1.00 43.15 N ATOM 514 CA ARG A 34 0.299 3.853 14.207 1.00 22.23 C ATOM 515 C ARG A 34 0.130 2.489 14.863 1.00 41.00 C ATOM 516 O ARG A 34 0.258 1.455 14.213 1.00 23.13 O ATOM 517 CB ARG A 34 -0.990 4.655 14.391 1.00 30.55 C ATOM 518 CG ARG A 34 -0.888 6.114 13.988 1.00 3.43 C ATOM 519 CD ARG A 34 -2.158 6.863 14.356 1.00 52.34 C ATOM 520 NE ARG A 34 -2.119 8.267 13.951 1.00 70.50 N ATOM 521 CZ ARG A 34 -3.107 9.132 14.175 1.00 30.53 C ATOM 522 NH1 ARG A 34 -4.177 8.757 14.864 1.00 24.31 N ATOM 523 NH2 ARG A 34 -3.009 10.377 13.729 1.00 2.41 N ATOM 0 H ARG A 34 -0.186 3.653 12.175 1.00 43.15 H new ATOM 0 HA ARG A 34 1.129 4.375 14.683 1.00 22.23 H new ATOM 0 HB2 ARG A 34 -1.782 4.185 13.807 1.00 30.55 H new ATOM 0 HB3 ARG A 34 -1.290 4.601 15.437 1.00 30.55 H new ATOM 0 HG2 ARG A 34 -0.032 6.574 14.482 1.00 3.43 H new ATOM 0 HG3 ARG A 34 -0.714 6.189 12.915 1.00 3.43 H new ATOM 0 HD2 ARG A 34 -3.012 6.376 13.885 1.00 52.34 H new ATOM 0 HD3 ARG A 34 -2.311 6.803 15.434 1.00 52.34 H new ATOM 0 HE ARG A 34 -1.286 8.604 13.468 1.00 70.50 H new ATOM 0 HH11 ARG A 34 -4.244 7.805 15.223 1.00 24.31 H new ATOM 0 HH12 ARG A 34 -4.932 9.421 15.034 1.00 24.31 H new ATOM 0 HH21 ARG A 34 -2.178 10.671 13.215 1.00 2.41 H new ATOM 0 HH22 ARG A 34 -3.764 11.041 13.900 1.00 2.41 H new ATOM 537 N ASN A 35 -0.175 2.504 16.153 1.00 70.21 N ATOM 538 CA ASN A 35 -0.453 1.283 16.901 1.00 50.01 C ATOM 539 C ASN A 35 -1.922 1.238 17.288 1.00 72.11 C ATOM 540 O ASN A 35 -2.329 0.493 18.183 1.00 31.34 O ATOM 541 CB ASN A 35 0.415 1.192 18.161 1.00 42.20 C ATOM 542 CG ASN A 35 1.876 0.909 17.862 1.00 3.21 C ATOM 543 OD1 ASN A 35 2.425 1.368 16.863 1.00 23.13 O ATOM 544 ND2 ASN A 35 2.512 0.133 18.726 1.00 33.45 N ATOM 0 H ASN A 35 -0.237 3.357 16.709 1.00 70.21 H new ATOM 0 HA ASN A 35 -0.215 0.434 16.261 1.00 50.01 H new ATOM 0 HB2 ASN A 35 0.339 2.128 18.715 1.00 42.20 H new ATOM 0 HB3 ASN A 35 0.024 0.406 18.807 1.00 42.20 H new ATOM 0 HD21 ASN A 35 3.493 -0.103 18.574 1.00 33.45 H new ATOM 0 HD22 ASN A 35 2.021 -0.229 19.544 1.00 33.45 H new ATOM 551 N ASP A 36 -2.713 2.035 16.585 1.00 12.44 N ATOM 552 CA ASP A 36 -4.145 2.149 16.846 1.00 12.51 C ATOM 553 C ASP A 36 -4.886 1.005 16.140 1.00 12.51 C ATOM 554 O ASP A 36 -4.269 0.003 15.773 1.00 44.51 O ATOM 555 CB ASP A 36 -4.640 3.525 16.364 1.00 70.44 C ATOM 556 CG ASP A 36 -6.068 3.829 16.776 1.00 34.15 C ATOM 557 OD1 ASP A 36 -6.298 4.201 17.943 1.00 75.51 O ATOM 558 OD2 ASP A 36 -6.969 3.677 15.930 1.00 12.11 O ATOM 0 H ASP A 36 -2.383 2.621 15.818 1.00 12.44 H new ATOM 0 HA ASP A 36 -4.343 2.070 17.915 1.00 12.51 H new ATOM 0 HB2 ASP A 36 -3.983 4.299 16.760 1.00 70.44 H new ATOM 0 HB3 ASP A 36 -4.566 3.570 15.277 1.00 70.44 H new ATOM 563 N GLU A 37 -6.191 1.139 15.948 1.00 33.43 N ATOM 564 CA GLU A 37 -6.977 0.107 15.306 1.00 63.23 C ATOM 565 C GLU A 37 -7.614 0.619 14.012 1.00 75.12 C ATOM 566 O GLU A 37 -8.361 -0.103 13.353 1.00 62.04 O ATOM 567 CB GLU A 37 -8.038 -0.401 16.279 1.00 63.23 C ATOM 568 CG GLU A 37 -7.445 -1.086 17.503 1.00 63.32 C ATOM 569 CD GLU A 37 -8.498 -1.594 18.463 1.00 72.11 C ATOM 570 OE1 GLU A 37 -9.024 -0.783 19.252 1.00 62.45 O ATOM 571 OE2 GLU A 37 -8.801 -2.805 18.436 1.00 61.53 O ATOM 0 H GLU A 37 -6.726 1.960 16.232 1.00 33.43 H new ATOM 0 HA GLU A 37 -6.320 -0.719 15.034 1.00 63.23 H new ATOM 0 HB2 GLU A 37 -8.657 0.436 16.602 1.00 63.23 H new ATOM 0 HB3 GLU A 37 -8.694 -1.100 15.760 1.00 63.23 H new ATOM 0 HG2 GLU A 37 -6.823 -1.920 17.180 1.00 63.32 H new ATOM 0 HG3 GLU A 37 -6.793 -0.385 18.025 1.00 63.32 H new ATOM 578 N GLN A 38 -7.324 1.869 13.652 1.00 34.30 N ATOM 579 CA GLN A 38 -7.753 2.403 12.360 1.00 52.43 C ATOM 580 C GLN A 38 -6.934 1.780 11.236 1.00 44.10 C ATOM 581 O GLN A 38 -5.812 1.334 11.459 1.00 70.11 O ATOM 582 CB GLN A 38 -7.657 3.942 12.337 1.00 15.12 C ATOM 583 CG GLN A 38 -6.330 4.530 12.826 1.00 4.10 C ATOM 584 CD GLN A 38 -5.222 4.528 11.781 1.00 42.52 C ATOM 585 OE1 GLN A 38 -4.431 3.590 11.690 1.00 23.05 O ATOM 586 NE2 GLN A 38 -5.143 5.591 10.994 1.00 14.54 N ATOM 0 H GLN A 38 -6.799 2.525 14.230 1.00 34.30 H new ATOM 0 HA GLN A 38 -8.800 2.141 12.206 1.00 52.43 H new ATOM 0 HB2 GLN A 38 -7.831 4.284 11.317 1.00 15.12 H new ATOM 0 HB3 GLN A 38 -8.461 4.347 12.951 1.00 15.12 H new ATOM 0 HG2 GLN A 38 -6.500 5.555 13.157 1.00 4.10 H new ATOM 0 HG3 GLN A 38 -5.994 3.966 13.696 1.00 4.10 H new ATOM 0 HE21 GLN A 38 -5.815 6.352 11.095 1.00 14.54 H new ATOM 0 HE22 GLN A 38 -4.410 5.649 10.287 1.00 14.54 H new ATOM 595 N VAL A 39 -7.496 1.719 10.040 1.00 0.11 N ATOM 596 CA VAL A 39 -6.786 1.144 8.903 1.00 1.13 C ATOM 597 C VAL A 39 -7.003 1.959 7.637 1.00 13.40 C ATOM 598 O VAL A 39 -8.049 2.582 7.453 1.00 35.14 O ATOM 599 CB VAL A 39 -7.197 -0.323 8.626 1.00 62.34 C ATOM 600 CG1 VAL A 39 -6.666 -1.250 9.710 1.00 31.34 C ATOM 601 CG2 VAL A 39 -8.710 -0.452 8.504 1.00 0.23 C ATOM 0 H VAL A 39 -8.435 2.057 9.829 1.00 0.11 H new ATOM 0 HA VAL A 39 -5.731 1.165 9.176 1.00 1.13 H new ATOM 0 HB VAL A 39 -6.753 -0.620 7.676 1.00 62.34 H new ATOM 0 HG11 VAL A 39 -6.968 -2.275 9.493 1.00 31.34 H new ATOM 0 HG12 VAL A 39 -5.578 -1.191 9.739 1.00 31.34 H new ATOM 0 HG13 VAL A 39 -7.071 -0.950 10.676 1.00 31.34 H new ATOM 0 HG21 VAL A 39 -8.972 -1.492 8.310 1.00 0.23 H new ATOM 0 HG22 VAL A 39 -9.179 -0.127 9.433 1.00 0.23 H new ATOM 0 HG23 VAL A 39 -9.063 0.171 7.682 1.00 0.23 H new ATOM 611 N TYR A 40 -5.991 1.961 6.781 1.00 40.22 N ATOM 612 CA TYR A 40 -6.078 2.593 5.477 1.00 21.35 C ATOM 613 C TYR A 40 -5.427 1.706 4.427 1.00 12.34 C ATOM 614 O TYR A 40 -4.205 1.657 4.311 1.00 74.03 O ATOM 615 CB TYR A 40 -5.413 3.973 5.483 1.00 0.02 C ATOM 616 CG TYR A 40 -6.253 5.053 6.128 1.00 11.35 C ATOM 617 CD1 TYR A 40 -7.363 5.572 5.475 1.00 53.50 C ATOM 618 CD2 TYR A 40 -5.938 5.554 7.386 1.00 32.13 C ATOM 619 CE1 TYR A 40 -8.135 6.559 6.054 1.00 40.22 C ATOM 620 CE2 TYR A 40 -6.706 6.541 7.971 1.00 42.10 C ATOM 621 CZ TYR A 40 -7.804 7.039 7.301 1.00 3.23 C ATOM 622 OH TYR A 40 -8.573 8.020 7.880 1.00 72.34 O ATOM 0 H TYR A 40 -5.089 1.525 6.973 1.00 40.22 H new ATOM 0 HA TYR A 40 -7.132 2.728 5.235 1.00 21.35 H new ATOM 0 HB2 TYR A 40 -4.460 3.905 6.008 1.00 0.02 H new ATOM 0 HB3 TYR A 40 -5.191 4.263 4.456 1.00 0.02 H new ATOM 0 HD1 TYR A 40 -7.627 5.197 4.497 1.00 53.50 H new ATOM 0 HD2 TYR A 40 -5.080 5.165 7.914 1.00 32.13 H new ATOM 0 HE1 TYR A 40 -8.994 6.953 5.531 1.00 40.22 H new ATOM 0 HE2 TYR A 40 -6.448 6.921 8.948 1.00 42.10 H new ATOM 0 HH TYR A 40 -8.206 8.247 8.760 1.00 72.34 H new ATOM 632 N ALA A 41 -6.247 0.982 3.692 1.00 31.14 N ATOM 633 CA ALA A 41 -5.759 0.118 2.636 1.00 1.51 C ATOM 634 C ALA A 41 -6.326 0.550 1.290 1.00 63.10 C ATOM 635 O ALA A 41 -7.504 0.345 1.003 1.00 3.10 O ATOM 636 CB ALA A 41 -6.116 -1.331 2.928 1.00 54.30 C ATOM 0 H ALA A 41 -7.260 0.975 3.808 1.00 31.14 H new ATOM 0 HA ALA A 41 -4.673 0.202 2.593 1.00 1.51 H new ATOM 0 HB1 ALA A 41 -5.742 -1.967 2.125 1.00 54.30 H new ATOM 0 HB2 ALA A 41 -5.663 -1.634 3.872 1.00 54.30 H new ATOM 0 HB3 ALA A 41 -7.199 -1.432 2.996 1.00 54.30 H new ATOM 642 N ILE A 42 -5.484 1.158 0.475 1.00 51.10 N ATOM 643 CA ILE A 42 -5.890 1.615 -0.847 1.00 11.11 C ATOM 644 C ILE A 42 -4.863 1.176 -1.881 1.00 4.23 C ATOM 645 O ILE A 42 -3.750 0.791 -1.528 1.00 51.32 O ATOM 646 CB ILE A 42 -6.044 3.151 -0.913 1.00 31.41 C ATOM 647 CG1 ILE A 42 -4.705 3.837 -0.635 1.00 72.45 C ATOM 648 CG2 ILE A 42 -7.105 3.627 0.072 1.00 42.22 C ATOM 649 CD1 ILE A 42 -4.742 5.336 -0.818 1.00 13.12 C ATOM 0 H ILE A 42 -4.509 1.349 0.704 1.00 51.10 H new ATOM 0 HA ILE A 42 -6.862 1.169 -1.058 1.00 11.11 H new ATOM 0 HB ILE A 42 -6.366 3.421 -1.919 1.00 31.41 H new ATOM 0 HG12 ILE A 42 -4.396 3.612 0.386 1.00 72.45 H new ATOM 0 HG13 ILE A 42 -3.947 3.417 -1.297 1.00 72.45 H new ATOM 0 HG21 ILE A 42 -7.198 4.711 0.010 1.00 42.22 H new ATOM 0 HG22 ILE A 42 -8.062 3.166 -0.173 1.00 42.22 H new ATOM 0 HG23 ILE A 42 -6.815 3.345 1.084 1.00 42.22 H new ATOM 0 HD11 ILE A 42 -3.758 5.753 -0.604 1.00 13.12 H new ATOM 0 HD12 ILE A 42 -5.019 5.570 -1.846 1.00 13.12 H new ATOM 0 HD13 ILE A 42 -5.475 5.768 -0.137 1.00 13.12 H new ATOM 661 N SER A 43 -5.222 1.230 -3.155 1.00 13.53 N ATOM 662 CA SER A 43 -4.293 0.856 -4.209 1.00 34.53 C ATOM 663 C SER A 43 -3.295 1.981 -4.476 1.00 1.32 C ATOM 664 O SER A 43 -3.296 2.592 -5.544 1.00 35.43 O ATOM 665 CB SER A 43 -5.050 0.489 -5.484 1.00 25.55 C ATOM 666 OG SER A 43 -5.916 -0.609 -5.253 1.00 3.43 O ATOM 0 H SER A 43 -6.142 1.527 -3.481 1.00 13.53 H new ATOM 0 HA SER A 43 -3.734 -0.019 -3.878 1.00 34.53 H new ATOM 0 HB2 SER A 43 -5.626 1.347 -5.830 1.00 25.55 H new ATOM 0 HB3 SER A 43 -4.342 0.240 -6.275 1.00 25.55 H new ATOM 0 HG SER A 43 -6.394 -0.829 -6.080 1.00 3.43 H new ATOM 672 N ASN A 44 -2.461 2.251 -3.480 1.00 71.20 N ATOM 673 CA ASN A 44 -1.418 3.269 -3.590 1.00 25.14 C ATOM 674 C ASN A 44 -0.102 2.593 -3.940 1.00 74.02 C ATOM 675 O ASN A 44 0.761 2.385 -3.083 1.00 25.42 O ATOM 676 CB ASN A 44 -1.283 4.056 -2.280 1.00 31.14 C ATOM 677 CG ASN A 44 -0.375 5.266 -2.411 1.00 15.43 C ATOM 678 OD1 ASN A 44 -0.281 5.873 -3.475 1.00 64.03 O ATOM 679 ND2 ASN A 44 0.296 5.626 -1.328 1.00 73.11 N ATOM 0 H ASN A 44 -2.486 1.775 -2.578 1.00 71.20 H new ATOM 0 HA ASN A 44 -1.688 3.975 -4.375 1.00 25.14 H new ATOM 0 HB2 ASN A 44 -2.271 4.382 -1.954 1.00 31.14 H new ATOM 0 HB3 ASN A 44 -0.893 3.397 -1.504 1.00 31.14 H new ATOM 0 HD21 ASN A 44 0.918 6.434 -1.359 1.00 73.11 H new ATOM 0 HD22 ASN A 44 0.191 5.096 -0.463 1.00 73.11 H new ATOM 686 N ILE A 45 0.024 2.203 -5.197 1.00 64.50 N ATOM 687 CA ILE A 45 1.151 1.396 -5.633 1.00 4.22 C ATOM 688 C ILE A 45 1.876 2.051 -6.797 1.00 61.52 C ATOM 689 O ILE A 45 1.248 2.579 -7.714 1.00 11.13 O ATOM 690 CB ILE A 45 0.684 -0.012 -6.072 1.00 3.41 C ATOM 691 CG1 ILE A 45 -0.149 -0.670 -4.968 1.00 25.33 C ATOM 692 CG2 ILE A 45 1.873 -0.894 -6.437 1.00 15.31 C ATOM 693 CD1 ILE A 45 0.586 -0.817 -3.657 1.00 24.13 C ATOM 0 H ILE A 45 -0.642 2.433 -5.935 1.00 64.50 H new ATOM 0 HA ILE A 45 1.830 1.310 -4.785 1.00 4.22 H new ATOM 0 HB ILE A 45 0.061 0.102 -6.959 1.00 3.41 H new ATOM 0 HG12 ILE A 45 -1.050 -0.079 -4.805 1.00 25.33 H new ATOM 0 HG13 ILE A 45 -0.471 -1.655 -5.306 1.00 25.33 H new ATOM 0 HG21 ILE A 45 1.516 -1.878 -6.742 1.00 15.31 H new ATOM 0 HG22 ILE A 45 2.426 -0.438 -7.258 1.00 15.31 H new ATOM 0 HG23 ILE A 45 2.528 -0.998 -5.572 1.00 15.31 H new ATOM 0 HD11 ILE A 45 -0.068 -1.291 -2.925 1.00 24.13 H new ATOM 0 HD12 ILE A 45 1.473 -1.433 -3.804 1.00 24.13 H new ATOM 0 HD13 ILE A 45 0.884 0.167 -3.295 1.00 24.13 H new ATOM 705 N ASP A 46 3.197 2.018 -6.748 1.00 14.24 N ATOM 706 CA ASP A 46 4.008 2.466 -7.866 1.00 52.02 C ATOM 707 C ASP A 46 4.172 1.325 -8.862 1.00 70.31 C ATOM 708 O ASP A 46 4.723 0.279 -8.527 1.00 34.10 O ATOM 709 CB ASP A 46 5.372 2.945 -7.372 1.00 41.24 C ATOM 710 CG ASP A 46 6.347 3.183 -8.505 1.00 0.54 C ATOM 711 OD1 ASP A 46 6.383 4.310 -9.041 1.00 24.23 O ATOM 712 OD2 ASP A 46 7.074 2.241 -8.865 1.00 33.11 O ATOM 0 H ASP A 46 3.731 1.685 -5.945 1.00 14.24 H new ATOM 0 HA ASP A 46 3.512 3.302 -8.360 1.00 52.02 H new ATOM 0 HB2 ASP A 46 5.246 3.867 -6.805 1.00 41.24 H new ATOM 0 HB3 ASP A 46 5.788 2.205 -6.688 1.00 41.24 H new ATOM 717 N PRO A 47 3.681 1.507 -10.095 1.00 11.41 N ATOM 718 CA PRO A 47 3.699 0.457 -11.117 1.00 5.25 C ATOM 719 C PRO A 47 5.079 0.243 -11.739 1.00 3.54 C ATOM 720 O PRO A 47 5.252 -0.614 -12.605 1.00 73.43 O ATOM 721 CB PRO A 47 2.715 0.980 -12.162 1.00 52.11 C ATOM 722 CG PRO A 47 2.794 2.461 -12.045 1.00 52.11 C ATOM 723 CD PRO A 47 3.056 2.750 -10.591 1.00 11.43 C ATOM 0 HA PRO A 47 3.438 -0.516 -10.700 1.00 5.25 H new ATOM 0 HB2 PRO A 47 2.986 0.647 -13.164 1.00 52.11 H new ATOM 0 HB3 PRO A 47 1.704 0.621 -11.969 1.00 52.11 H new ATOM 0 HG2 PRO A 47 3.592 2.860 -12.672 1.00 52.11 H new ATOM 0 HG3 PRO A 47 1.866 2.928 -12.374 1.00 52.11 H new ATOM 0 HD2 PRO A 47 3.716 3.608 -10.466 1.00 11.43 H new ATOM 0 HD3 PRO A 47 2.134 2.976 -10.055 1.00 11.43 H new ATOM 731 N PHE A 48 6.058 1.013 -11.292 1.00 74.23 N ATOM 732 CA PHE A 48 7.410 0.899 -11.813 1.00 5.41 C ATOM 733 C PHE A 48 8.189 -0.140 -11.005 1.00 51.33 C ATOM 734 O PHE A 48 9.073 -0.819 -11.524 1.00 73.33 O ATOM 735 CB PHE A 48 8.108 2.262 -11.768 1.00 23.45 C ATOM 736 CG PHE A 48 9.408 2.311 -12.516 1.00 21.31 C ATOM 737 CD1 PHE A 48 9.419 2.459 -13.893 1.00 31.33 C ATOM 738 CD2 PHE A 48 10.616 2.216 -11.844 1.00 32.41 C ATOM 739 CE1 PHE A 48 10.610 2.509 -14.587 1.00 20.41 C ATOM 740 CE2 PHE A 48 11.811 2.266 -12.535 1.00 73.04 C ATOM 741 CZ PHE A 48 11.808 2.412 -13.910 1.00 73.44 C ATOM 0 H PHE A 48 5.941 1.724 -10.570 1.00 74.23 H new ATOM 0 HA PHE A 48 7.371 0.572 -12.852 1.00 5.41 H new ATOM 0 HB2 PHE A 48 7.436 3.016 -12.179 1.00 23.45 H new ATOM 0 HB3 PHE A 48 8.290 2.531 -10.727 1.00 23.45 H new ATOM 0 HD1 PHE A 48 8.485 2.536 -14.429 1.00 31.33 H new ATOM 0 HD2 PHE A 48 10.623 2.102 -10.770 1.00 32.41 H new ATOM 0 HE1 PHE A 48 10.605 2.624 -15.661 1.00 20.41 H new ATOM 0 HE2 PHE A 48 12.747 2.191 -12.002 1.00 73.04 H new ATOM 0 HZ PHE A 48 12.741 2.450 -14.452 1.00 73.44 H new ATOM 751 N ALA A 49 7.842 -0.261 -9.731 1.00 74.43 N ATOM 752 CA ALA A 49 8.449 -1.257 -8.860 1.00 30.33 C ATOM 753 C ALA A 49 7.435 -2.341 -8.526 1.00 75.13 C ATOM 754 O ALA A 49 7.794 -3.446 -8.114 1.00 63.14 O ATOM 755 CB ALA A 49 8.973 -0.602 -7.590 1.00 23.31 C ATOM 0 H ALA A 49 7.139 0.322 -9.276 1.00 74.43 H new ATOM 0 HA ALA A 49 9.291 -1.715 -9.379 1.00 30.33 H new ATOM 0 HB1 ALA A 49 9.424 -1.360 -6.949 1.00 23.31 H new ATOM 0 HB2 ALA A 49 9.722 0.147 -7.849 1.00 23.31 H new ATOM 0 HB3 ALA A 49 8.149 -0.123 -7.061 1.00 23.31 H new ATOM 761 N GLN A 50 6.164 -1.996 -8.714 1.00 54.52 N ATOM 762 CA GLN A 50 5.040 -2.907 -8.499 1.00 62.10 C ATOM 763 C GLN A 50 4.946 -3.339 -7.036 1.00 63.22 C ATOM 764 O GLN A 50 4.571 -4.472 -6.727 1.00 54.11 O ATOM 765 CB GLN A 50 5.135 -4.126 -9.424 1.00 51.11 C ATOM 766 CG GLN A 50 5.124 -3.766 -10.901 1.00 21.15 C ATOM 767 CD GLN A 50 5.042 -4.982 -11.803 1.00 41.32 C ATOM 768 OE1 GLN A 50 4.453 -6.003 -11.442 1.00 72.23 O ATOM 769 NE2 GLN A 50 5.639 -4.882 -12.979 1.00 54.12 N ATOM 0 H GLN A 50 5.881 -1.066 -9.023 1.00 54.52 H new ATOM 0 HA GLN A 50 4.126 -2.366 -8.745 1.00 62.10 H new ATOM 0 HB2 GLN A 50 6.050 -4.674 -9.198 1.00 51.11 H new ATOM 0 HB3 GLN A 50 4.302 -4.797 -9.215 1.00 51.11 H new ATOM 0 HG2 GLN A 50 4.277 -3.111 -11.104 1.00 21.15 H new ATOM 0 HG3 GLN A 50 6.026 -3.203 -11.139 1.00 21.15 H new ATOM 0 HE21 GLN A 50 6.115 -4.018 -13.237 1.00 54.12 H new ATOM 0 HE22 GLN A 50 5.623 -5.669 -13.628 1.00 54.12 H new ATOM 778 N ALA A 51 5.261 -2.406 -6.150 1.00 72.53 N ATOM 779 CA ALA A 51 5.197 -2.625 -4.714 1.00 70.22 C ATOM 780 C ALA A 51 4.857 -1.319 -4.025 1.00 20.14 C ATOM 781 O ALA A 51 4.933 -0.248 -4.635 1.00 63.32 O ATOM 782 CB ALA A 51 6.521 -3.172 -4.198 1.00 22.20 C ATOM 0 H ALA A 51 5.570 -1.469 -6.410 1.00 72.53 H new ATOM 0 HA ALA A 51 4.422 -3.360 -4.496 1.00 70.22 H new ATOM 0 HB1 ALA A 51 6.455 -3.330 -3.122 1.00 22.20 H new ATOM 0 HB2 ALA A 51 6.740 -4.119 -4.691 1.00 22.20 H new ATOM 0 HB3 ALA A 51 7.317 -2.459 -4.412 1.00 22.20 H new ATOM 788 N SER A 52 4.475 -1.406 -2.768 1.00 52.54 N ATOM 789 CA SER A 52 4.098 -0.237 -2.004 1.00 51.55 C ATOM 790 C SER A 52 5.326 0.548 -1.549 1.00 33.42 C ATOM 791 O SER A 52 5.765 0.438 -0.406 1.00 53.31 O ATOM 792 CB SER A 52 3.258 -0.666 -0.809 1.00 43.14 C ATOM 793 OG SER A 52 3.886 -1.736 -0.125 1.00 43.50 O ATOM 0 H SER A 52 4.417 -2.283 -2.251 1.00 52.54 H new ATOM 0 HA SER A 52 3.509 0.424 -2.640 1.00 51.55 H new ATOM 0 HB2 SER A 52 3.120 0.177 -0.131 1.00 43.14 H new ATOM 0 HB3 SER A 52 2.267 -0.971 -1.144 1.00 43.14 H new ATOM 0 HG SER A 52 4.115 -1.453 0.785 1.00 43.50 H new ATOM 799 N VAL A 53 5.903 1.310 -2.466 1.00 55.21 N ATOM 800 CA VAL A 53 7.020 2.184 -2.133 1.00 52.03 C ATOM 801 C VAL A 53 6.501 3.569 -1.778 1.00 1.14 C ATOM 802 O VAL A 53 7.239 4.426 -1.294 1.00 62.21 O ATOM 803 CB VAL A 53 8.042 2.291 -3.286 1.00 0.35 C ATOM 804 CG1 VAL A 53 8.611 0.921 -3.623 1.00 41.24 C ATOM 805 CG2 VAL A 53 7.411 2.932 -4.515 1.00 35.31 C ATOM 0 H VAL A 53 5.618 1.342 -3.445 1.00 55.21 H new ATOM 0 HA VAL A 53 7.535 1.746 -1.278 1.00 52.03 H new ATOM 0 HB VAL A 53 8.861 2.931 -2.957 1.00 0.35 H new ATOM 0 HG11 VAL A 53 9.329 1.016 -4.437 1.00 41.24 H new ATOM 0 HG12 VAL A 53 9.109 0.508 -2.746 1.00 41.24 H new ATOM 0 HG13 VAL A 53 7.803 0.256 -3.928 1.00 41.24 H new ATOM 0 HG21 VAL A 53 8.151 2.996 -5.313 1.00 35.31 H new ATOM 0 HG22 VAL A 53 6.569 2.326 -4.849 1.00 35.31 H new ATOM 0 HG23 VAL A 53 7.061 3.933 -4.264 1.00 35.31 H new ATOM 815 N LEU A 54 5.208 3.757 -2.003 1.00 65.31 N ATOM 816 CA LEU A 54 4.540 5.020 -1.720 1.00 71.32 C ATOM 817 C LEU A 54 4.090 5.063 -0.263 1.00 11.03 C ATOM 818 O LEU A 54 3.382 5.972 0.162 1.00 72.13 O ATOM 819 CB LEU A 54 3.341 5.186 -2.663 1.00 51.40 C ATOM 820 CG LEU A 54 3.693 5.206 -4.153 1.00 54.21 C ATOM 821 CD1 LEU A 54 2.438 5.339 -4.999 1.00 43.13 C ATOM 822 CD2 LEU A 54 4.661 6.337 -4.461 1.00 51.24 C ATOM 0 H LEU A 54 4.593 3.039 -2.386 1.00 65.31 H new ATOM 0 HA LEU A 54 5.236 5.843 -1.885 1.00 71.32 H new ATOM 0 HB2 LEU A 54 2.638 4.373 -2.481 1.00 51.40 H new ATOM 0 HB3 LEU A 54 2.826 6.114 -2.413 1.00 51.40 H new ATOM 0 HG LEU A 54 4.177 4.261 -4.400 1.00 54.21 H new ATOM 0 HD11 LEU A 54 2.710 5.351 -6.054 1.00 43.13 H new ATOM 0 HD12 LEU A 54 1.777 4.494 -4.805 1.00 43.13 H new ATOM 0 HD13 LEU A 54 1.925 6.267 -4.746 1.00 43.13 H new ATOM 0 HD21 LEU A 54 4.898 6.333 -5.525 1.00 51.24 H new ATOM 0 HD22 LEU A 54 4.204 7.290 -4.194 1.00 51.24 H new ATOM 0 HD23 LEU A 54 5.576 6.200 -3.885 1.00 51.24 H new ATOM 834 N SER A 55 4.511 4.060 0.497 1.00 52.43 N ATOM 835 CA SER A 55 4.184 3.968 1.910 1.00 74.13 C ATOM 836 C SER A 55 5.441 3.725 2.742 1.00 51.51 C ATOM 837 O SER A 55 5.367 3.482 3.945 1.00 64.43 O ATOM 838 CB SER A 55 3.184 2.835 2.120 1.00 64.33 C ATOM 839 OG SER A 55 3.590 1.674 1.413 1.00 54.43 O ATOM 0 H SER A 55 5.086 3.292 0.151 1.00 52.43 H new ATOM 0 HA SER A 55 3.743 4.910 2.236 1.00 74.13 H new ATOM 0 HB2 SER A 55 3.100 2.609 3.183 1.00 64.33 H new ATOM 0 HB3 SER A 55 2.196 3.147 1.781 1.00 64.33 H new ATOM 0 HG SER A 55 3.544 0.896 2.007 1.00 54.43 H new ATOM 845 N ARG A 56 6.595 3.798 2.093 1.00 41.44 N ATOM 846 CA ARG A 56 7.863 3.529 2.760 1.00 42.33 C ATOM 847 C ARG A 56 8.665 4.810 2.914 1.00 15.41 C ATOM 848 O ARG A 56 9.874 4.780 3.142 1.00 2.52 O ATOM 849 CB ARG A 56 8.674 2.504 1.967 1.00 71.21 C ATOM 850 CG ARG A 56 7.954 1.181 1.769 1.00 0.10 C ATOM 851 CD ARG A 56 8.786 0.217 0.940 1.00 43.33 C ATOM 852 NE ARG A 56 8.043 -0.996 0.602 1.00 42.23 N ATOM 853 CZ ARG A 56 8.616 -2.170 0.332 1.00 30.10 C ATOM 854 NH1 ARG A 56 9.937 -2.287 0.365 1.00 22.34 N ATOM 855 NH2 ARG A 56 7.868 -3.225 0.021 1.00 0.20 N ATOM 0 H ARG A 56 6.680 4.041 1.106 1.00 41.44 H new ATOM 0 HA ARG A 56 7.650 3.125 3.750 1.00 42.33 H new ATOM 0 HB2 ARG A 56 8.920 2.924 0.992 1.00 71.21 H new ATOM 0 HB3 ARG A 56 9.617 2.321 2.483 1.00 71.21 H new ATOM 0 HG2 ARG A 56 7.736 0.735 2.739 1.00 0.10 H new ATOM 0 HG3 ARG A 56 6.998 1.355 1.276 1.00 0.10 H new ATOM 0 HD2 ARG A 56 9.109 0.712 0.024 1.00 43.33 H new ATOM 0 HD3 ARG A 56 9.687 -0.051 1.492 1.00 43.33 H new ATOM 0 HE ARG A 56 7.025 -0.941 0.571 1.00 42.23 H new ATOM 0 HH11 ARG A 56 10.515 -1.479 0.597 1.00 22.34 H new ATOM 0 HH12 ARG A 56 10.375 -3.185 0.159 1.00 22.34 H new ATOM 0 HH21 ARG A 56 6.852 -3.138 -0.012 1.00 0.20 H new ATOM 0 HH22 ARG A 56 8.310 -4.121 -0.185 1.00 0.20 H new ATOM 869 N GLY A 57 7.985 5.933 2.793 1.00 11.41 N ATOM 870 CA GLY A 57 8.656 7.208 2.870 1.00 63.43 C ATOM 871 C GLY A 57 8.437 7.894 4.194 1.00 44.10 C ATOM 872 O GLY A 57 8.098 7.249 5.188 1.00 71.31 O ATOM 0 H GLY A 57 6.978 5.985 2.642 1.00 11.41 H new ATOM 0 HA2 GLY A 57 9.725 7.063 2.711 1.00 63.43 H new ATOM 0 HA3 GLY A 57 8.299 7.852 2.067 1.00 63.43 H new ATOM 876 N ILE A 58 8.629 9.198 4.208 1.00 40.44 N ATOM 877 CA ILE A 58 8.456 9.980 5.415 1.00 70.23 C ATOM 878 C ILE A 58 7.002 10.385 5.579 1.00 64.04 C ATOM 879 O ILE A 58 6.488 11.212 4.825 1.00 5.35 O ATOM 880 CB ILE A 58 9.347 11.243 5.393 1.00 15.01 C ATOM 881 CG1 ILE A 58 10.823 10.847 5.276 1.00 2.03 C ATOM 882 CG2 ILE A 58 9.118 12.090 6.638 1.00 41.40 C ATOM 883 CD1 ILE A 58 11.768 12.025 5.165 1.00 61.10 C ATOM 0 H ILE A 58 8.907 9.741 3.391 1.00 40.44 H new ATOM 0 HA ILE A 58 8.755 9.359 6.259 1.00 70.23 H new ATOM 0 HB ILE A 58 9.075 11.841 4.523 1.00 15.01 H new ATOM 0 HG12 ILE A 58 11.100 10.253 6.147 1.00 2.03 H new ATOM 0 HG13 ILE A 58 10.949 10.209 4.401 1.00 2.03 H new ATOM 0 HG21 ILE A 58 9.756 12.973 6.600 1.00 41.40 H new ATOM 0 HG22 ILE A 58 8.073 12.399 6.681 1.00 41.40 H new ATOM 0 HG23 ILE A 58 9.360 11.505 7.525 1.00 41.40 H new ATOM 0 HD11 ILE A 58 12.793 11.663 5.086 1.00 61.10 H new ATOM 0 HD12 ILE A 58 11.520 12.608 4.278 1.00 61.10 H new ATOM 0 HD13 ILE A 58 11.672 12.653 6.051 1.00 61.10 H new ATOM 895 N VAL A 59 6.336 9.766 6.540 1.00 41.42 N ATOM 896 CA VAL A 59 4.975 10.133 6.880 1.00 2.45 C ATOM 897 C VAL A 59 4.990 11.484 7.582 1.00 10.34 C ATOM 898 O VAL A 59 5.162 11.567 8.799 1.00 41.04 O ATOM 899 CB VAL A 59 4.323 9.074 7.792 1.00 2.32 C ATOM 900 CG1 VAL A 59 2.903 9.474 8.168 1.00 52.11 C ATOM 901 CG2 VAL A 59 4.326 7.713 7.117 1.00 53.41 C ATOM 0 H VAL A 59 6.720 9.004 7.099 1.00 41.42 H new ATOM 0 HA VAL A 59 4.387 10.192 5.964 1.00 2.45 H new ATOM 0 HB VAL A 59 4.912 9.012 8.707 1.00 2.32 H new ATOM 0 HG11 VAL A 59 2.468 8.709 8.811 1.00 52.11 H new ATOM 0 HG12 VAL A 59 2.921 10.426 8.698 1.00 52.11 H new ATOM 0 HG13 VAL A 59 2.302 9.573 7.264 1.00 52.11 H new ATOM 0 HG21 VAL A 59 3.862 6.979 7.776 1.00 53.41 H new ATOM 0 HG22 VAL A 59 3.766 7.768 6.184 1.00 53.41 H new ATOM 0 HG23 VAL A 59 5.353 7.414 6.906 1.00 53.41 H new ATOM 911 N ALA A 60 4.855 12.539 6.802 1.00 24.14 N ATOM 912 CA ALA A 60 5.025 13.884 7.310 1.00 31.25 C ATOM 913 C ALA A 60 3.695 14.598 7.467 1.00 25.24 C ATOM 914 O ALA A 60 2.755 14.386 6.696 1.00 43.14 O ATOM 915 CB ALA A 60 5.942 14.679 6.393 1.00 53.35 C ATOM 0 H ALA A 60 4.627 12.489 5.809 1.00 24.14 H new ATOM 0 HA ALA A 60 5.479 13.810 8.298 1.00 31.25 H new ATOM 0 HB1 ALA A 60 6.062 15.689 6.785 1.00 53.35 H new ATOM 0 HB2 ALA A 60 6.916 14.192 6.341 1.00 53.35 H new ATOM 0 HB3 ALA A 60 5.506 14.727 5.395 1.00 53.35 H new ATOM 921 N GLU A 61 3.622 15.435 8.480 1.00 34.32 N ATOM 922 CA GLU A 61 2.482 16.291 8.679 1.00 4.21 C ATOM 923 C GLU A 61 2.726 17.600 7.960 1.00 12.44 C ATOM 924 O GLU A 61 3.427 18.485 8.448 1.00 43.43 O ATOM 925 CB GLU A 61 2.244 16.484 10.167 1.00 73.14 C ATOM 926 CG GLU A 61 1.677 15.235 10.809 1.00 42.32 C ATOM 927 CD GLU A 61 1.992 15.120 12.285 1.00 74.41 C ATOM 928 OE1 GLU A 61 3.151 14.796 12.623 1.00 73.10 O ATOM 929 OE2 GLU A 61 1.080 15.330 13.115 1.00 14.10 O ATOM 0 H GLU A 61 4.352 15.538 9.185 1.00 34.32 H new ATOM 0 HA GLU A 61 1.580 15.841 8.264 1.00 4.21 H new ATOM 0 HB2 GLU A 61 3.182 16.750 10.654 1.00 73.14 H new ATOM 0 HB3 GLU A 61 1.557 17.316 10.321 1.00 73.14 H new ATOM 0 HG2 GLU A 61 0.595 15.226 10.674 1.00 42.32 H new ATOM 0 HG3 GLU A 61 2.070 14.360 10.292 1.00 42.32 H new ATOM 936 N HIS A 62 2.158 17.686 6.775 1.00 72.30 N ATOM 937 CA HIS A 62 2.472 18.765 5.846 1.00 1.02 C ATOM 938 C HIS A 62 1.512 19.919 6.046 1.00 11.41 C ATOM 939 O HIS A 62 1.900 21.085 6.079 1.00 73.13 O ATOM 940 CB HIS A 62 2.392 18.246 4.410 1.00 40.51 C ATOM 941 CG HIS A 62 2.825 19.235 3.376 1.00 13.52 C ATOM 942 ND1 HIS A 62 4.153 19.506 3.154 1.00 34.42 N ATOM 943 CD2 HIS A 62 2.072 19.985 2.541 1.00 53.24 C ATOM 944 CE1 HIS A 62 4.178 20.409 2.191 1.00 1.32 C ATOM 945 NE2 HIS A 62 2.941 20.731 1.788 1.00 32.32 N ATOM 0 H HIS A 62 1.470 17.019 6.426 1.00 72.30 H new ATOM 0 HA HIS A 62 3.484 19.121 6.037 1.00 1.02 H new ATOM 0 HB2 HIS A 62 3.010 17.353 4.324 1.00 40.51 H new ATOM 0 HB3 HIS A 62 1.366 17.945 4.201 1.00 40.51 H new ATOM 0 HD2 HIS A 62 0.994 19.995 2.479 1.00 53.24 H new ATOM 0 HE1 HIS A 62 5.081 20.835 1.780 1.00 1.32 H new ATOM 0 HE2 HIS A 62 2.694 21.402 1.061 1.00 32.32 H new ATOM 953 N GLN A 63 0.252 19.564 6.156 1.00 70.02 N ATOM 954 CA GLN A 63 -0.804 20.499 6.477 1.00 0.04 C ATOM 955 C GLN A 63 -1.505 19.974 7.716 1.00 12.14 C ATOM 956 O GLN A 63 -0.873 19.328 8.554 1.00 52.23 O ATOM 957 CB GLN A 63 -1.780 20.609 5.300 1.00 25.10 C ATOM 958 CG GLN A 63 -1.149 21.153 4.026 1.00 10.34 C ATOM 959 CD GLN A 63 -0.794 22.627 4.121 1.00 34.32 C ATOM 960 OE1 GLN A 63 -1.595 23.491 3.770 1.00 31.22 O ATOM 961 NE2 GLN A 63 0.403 22.926 4.601 1.00 60.34 N ATOM 0 H GLN A 63 -0.073 18.606 6.024 1.00 70.02 H new ATOM 0 HA GLN A 63 -0.405 21.496 6.664 1.00 0.04 H new ATOM 0 HB2 GLN A 63 -2.199 19.624 5.095 1.00 25.10 H new ATOM 0 HB3 GLN A 63 -2.610 21.255 5.588 1.00 25.10 H new ATOM 0 HG2 GLN A 63 -0.248 20.582 3.801 1.00 10.34 H new ATOM 0 HG3 GLN A 63 -1.837 21.004 3.194 1.00 10.34 H new ATOM 0 HE21 GLN A 63 1.040 22.181 4.882 1.00 60.34 H new ATOM 0 HE22 GLN A 63 0.688 23.901 4.690 1.00 60.34 H new ATOM 970 N ASP A 64 -2.793 20.220 7.840 1.00 75.34 N ATOM 971 CA ASP A 64 -3.573 19.600 8.903 1.00 42.25 C ATOM 972 C ASP A 64 -3.972 18.182 8.474 1.00 45.11 C ATOM 973 O ASP A 64 -5.106 17.752 8.663 1.00 42.41 O ATOM 974 CB ASP A 64 -4.812 20.449 9.214 1.00 35.00 C ATOM 975 CG ASP A 64 -5.550 19.988 10.459 1.00 1.31 C ATOM 976 OD1 ASP A 64 -4.985 20.098 11.569 1.00 51.30 O ATOM 977 OD2 ASP A 64 -6.703 19.517 10.339 1.00 14.34 O ATOM 0 H ASP A 64 -3.323 20.839 7.226 1.00 75.34 H new ATOM 0 HA ASP A 64 -2.973 19.538 9.811 1.00 42.25 H new ATOM 0 HB2 ASP A 64 -4.511 21.489 9.341 1.00 35.00 H new ATOM 0 HB3 ASP A 64 -5.491 20.416 8.362 1.00 35.00 H new ATOM 982 N ASP A 65 -3.016 17.447 7.903 1.00 51.31 N ATOM 983 CA ASP A 65 -3.289 16.121 7.365 1.00 40.13 C ATOM 984 C ASP A 65 -1.991 15.316 7.297 1.00 21.30 C ATOM 985 O ASP A 65 -0.937 15.799 7.715 1.00 54.24 O ATOM 986 CB ASP A 65 -3.924 16.243 5.973 1.00 54.00 C ATOM 987 CG ASP A 65 -4.714 15.009 5.573 1.00 44.31 C ATOM 988 OD1 ASP A 65 -4.123 14.075 4.998 1.00 40.32 O ATOM 989 OD2 ASP A 65 -5.938 14.973 5.809 1.00 34.11 O ATOM 0 H ASP A 65 -2.047 17.751 7.803 1.00 51.31 H new ATOM 0 HA ASP A 65 -3.989 15.601 8.019 1.00 40.13 H new ATOM 0 HB2 ASP A 65 -4.582 17.111 5.955 1.00 54.00 H new ATOM 0 HB3 ASP A 65 -3.141 16.421 5.236 1.00 54.00 H new ATOM 994 N LEU A 66 -2.063 14.115 6.739 1.00 34.40 N ATOM 995 CA LEU A 66 -0.935 13.192 6.730 1.00 20.43 C ATOM 996 C LEU A 66 -0.490 12.916 5.302 1.00 31.24 C ATOM 997 O LEU A 66 -1.230 12.325 4.508 1.00 50.41 O ATOM 998 CB LEU A 66 -1.316 11.879 7.420 1.00 1.03 C ATOM 999 CG LEU A 66 -1.698 12.000 8.897 1.00 44.44 C ATOM 1000 CD1 LEU A 66 -2.148 10.653 9.437 1.00 33.53 C ATOM 1001 CD2 LEU A 66 -0.527 12.529 9.709 1.00 54.22 C ATOM 0 H LEU A 66 -2.900 13.754 6.282 1.00 34.40 H new ATOM 0 HA LEU A 66 -0.110 13.650 7.275 1.00 20.43 H new ATOM 0 HB2 LEU A 66 -2.153 11.435 6.881 1.00 1.03 H new ATOM 0 HB3 LEU A 66 -0.478 11.187 7.334 1.00 1.03 H new ATOM 0 HG LEU A 66 -2.525 12.705 8.983 1.00 44.44 H new ATOM 0 HD11 LEU A 66 -2.417 10.754 10.489 1.00 33.53 H new ATOM 0 HD12 LEU A 66 -3.014 10.306 8.873 1.00 33.53 H new ATOM 0 HD13 LEU A 66 -1.337 9.932 9.337 1.00 33.53 H new ATOM 0 HD21 LEU A 66 -0.817 12.608 10.757 1.00 54.22 H new ATOM 0 HD22 LEU A 66 0.318 11.846 9.617 1.00 54.22 H new ATOM 0 HD23 LEU A 66 -0.241 13.512 9.336 1.00 54.22 H new ATOM 1013 N TRP A 67 0.721 13.343 4.982 1.00 32.40 N ATOM 1014 CA TRP A 67 1.244 13.210 3.633 1.00 4.12 C ATOM 1015 C TRP A 67 2.541 12.412 3.647 1.00 15.25 C ATOM 1016 O TRP A 67 3.470 12.730 4.387 1.00 22.33 O ATOM 1017 CB TRP A 67 1.499 14.591 3.021 1.00 31.44 C ATOM 1018 CG TRP A 67 0.301 15.491 3.028 1.00 23.01 C ATOM 1019 CD1 TRP A 67 -0.202 16.175 4.098 1.00 20.12 C ATOM 1020 CD2 TRP A 67 -0.542 15.809 1.917 1.00 44.01 C ATOM 1021 NE1 TRP A 67 -1.288 16.915 3.714 1.00 74.20 N ATOM 1022 CE2 TRP A 67 -1.525 16.702 2.384 1.00 34.01 C ATOM 1023 CE3 TRP A 67 -0.562 15.432 0.570 1.00 20.01 C ATOM 1024 CZ2 TRP A 67 -2.514 17.220 1.557 1.00 64.02 C ATOM 1025 CZ3 TRP A 67 -1.547 15.947 -0.249 1.00 54.21 C ATOM 1026 CH2 TRP A 67 -2.509 16.834 0.246 1.00 72.41 C ATOM 0 H TRP A 67 1.361 13.786 5.641 1.00 32.40 H new ATOM 0 HA TRP A 67 0.505 12.683 3.029 1.00 4.12 H new ATOM 0 HB2 TRP A 67 2.308 15.076 3.568 1.00 31.44 H new ATOM 0 HB3 TRP A 67 1.840 14.464 1.993 1.00 31.44 H new ATOM 0 HD1 TRP A 67 0.198 16.138 5.100 1.00 20.12 H new ATOM 0 HE1 TRP A 67 -1.833 17.527 4.322 1.00 74.20 H new ATOM 0 HE3 TRP A 67 0.179 14.751 0.178 1.00 20.01 H new ATOM 0 HZ2 TRP A 67 -3.260 17.903 1.936 1.00 64.02 H new ATOM 0 HZ3 TRP A 67 -1.575 15.660 -1.290 1.00 54.21 H new ATOM 0 HH2 TRP A 67 -3.264 17.222 -0.422 1.00 72.41 H new ATOM 1037 N VAL A 68 2.607 11.378 2.832 1.00 34.13 N ATOM 1038 CA VAL A 68 3.807 10.565 2.757 1.00 52.31 C ATOM 1039 C VAL A 68 4.776 11.114 1.715 1.00 70.02 C ATOM 1040 O VAL A 68 4.408 11.362 0.563 1.00 71.41 O ATOM 1041 CB VAL A 68 3.489 9.083 2.455 1.00 60.15 C ATOM 1042 CG1 VAL A 68 2.813 8.430 3.648 1.00 4.33 C ATOM 1043 CG2 VAL A 68 2.619 8.947 1.215 1.00 53.12 C ATOM 0 H VAL A 68 1.850 11.081 2.216 1.00 34.13 H new ATOM 0 HA VAL A 68 4.279 10.611 3.739 1.00 52.31 H new ATOM 0 HB VAL A 68 4.432 8.572 2.262 1.00 60.15 H new ATOM 0 HG11 VAL A 68 2.596 7.387 3.418 1.00 4.33 H new ATOM 0 HG12 VAL A 68 3.474 8.481 4.513 1.00 4.33 H new ATOM 0 HG13 VAL A 68 1.883 8.953 3.871 1.00 4.33 H new ATOM 0 HG21 VAL A 68 2.413 7.893 1.029 1.00 53.12 H new ATOM 0 HG22 VAL A 68 1.680 9.479 1.369 1.00 53.12 H new ATOM 0 HG23 VAL A 68 3.140 9.372 0.357 1.00 53.12 H new ATOM 1053 N ALA A 69 6.004 11.343 2.141 1.00 62.01 N ATOM 1054 CA ALA A 69 7.062 11.752 1.239 1.00 25.34 C ATOM 1055 C ALA A 69 7.744 10.518 0.676 1.00 4.54 C ATOM 1056 O ALA A 69 8.564 9.891 1.348 1.00 24.15 O ATOM 1057 CB ALA A 69 8.061 12.646 1.960 1.00 24.31 C ATOM 0 H ALA A 69 6.294 11.251 3.115 1.00 62.01 H new ATOM 0 HA ALA A 69 6.636 12.328 0.417 1.00 25.34 H new ATOM 0 HB1 ALA A 69 8.849 12.944 1.268 1.00 24.31 H new ATOM 0 HB2 ALA A 69 7.551 13.534 2.333 1.00 24.31 H new ATOM 0 HB3 ALA A 69 8.500 12.101 2.796 1.00 24.31 H new ATOM 1063 N SER A 70 7.361 10.153 -0.538 1.00 34.03 N ATOM 1064 CA SER A 70 7.883 8.962 -1.189 1.00 14.00 C ATOM 1065 C SER A 70 9.403 9.030 -1.319 1.00 71.12 C ATOM 1066 O SER A 70 9.941 10.008 -1.826 1.00 10.01 O ATOM 1067 CB SER A 70 7.237 8.812 -2.564 1.00 44.53 C ATOM 1068 OG SER A 70 5.825 8.827 -2.462 1.00 13.10 O ATOM 0 H SER A 70 6.683 10.671 -1.097 1.00 34.03 H new ATOM 0 HA SER A 70 7.641 8.093 -0.578 1.00 14.00 H new ATOM 0 HB2 SER A 70 7.567 9.621 -3.216 1.00 44.53 H new ATOM 0 HB3 SER A 70 7.563 7.879 -3.024 1.00 44.53 H new ATOM 0 HG SER A 70 5.510 9.754 -2.415 1.00 13.10 H new ATOM 1074 N PRO A 71 10.112 7.986 -0.874 1.00 61.43 N ATOM 1075 CA PRO A 71 11.578 7.969 -0.871 1.00 50.20 C ATOM 1076 C PRO A 71 12.159 7.859 -2.277 1.00 33.03 C ATOM 1077 O PRO A 71 13.190 8.457 -2.589 1.00 62.13 O ATOM 1078 CB PRO A 71 11.914 6.719 -0.056 1.00 52.24 C ATOM 1079 CG PRO A 71 10.729 5.828 -0.217 1.00 2.53 C ATOM 1080 CD PRO A 71 9.540 6.739 -0.337 1.00 42.13 C ATOM 0 HA PRO A 71 11.996 8.888 -0.461 1.00 50.20 H new ATOM 0 HB2 PRO A 71 12.822 6.240 -0.423 1.00 52.24 H new ATOM 0 HB3 PRO A 71 12.085 6.964 0.992 1.00 52.24 H new ATOM 0 HG2 PRO A 71 10.830 5.200 -1.102 1.00 2.53 H new ATOM 0 HG3 PRO A 71 10.624 5.160 0.638 1.00 2.53 H new ATOM 0 HD2 PRO A 71 8.784 6.325 -1.004 1.00 42.13 H new ATOM 0 HD3 PRO A 71 9.060 6.901 0.628 1.00 42.13 H new ATOM 1088 N LEU A 72 11.482 7.095 -3.123 1.00 3.52 N ATOM 1089 CA LEU A 72 11.946 6.855 -4.481 1.00 52.52 C ATOM 1090 C LEU A 72 11.397 7.912 -5.433 1.00 54.12 C ATOM 1091 O LEU A 72 12.121 8.450 -6.270 1.00 72.43 O ATOM 1092 CB LEU A 72 11.510 5.460 -4.937 1.00 3.23 C ATOM 1093 CG LEU A 72 12.080 4.997 -6.280 1.00 64.42 C ATOM 1094 CD1 LEU A 72 13.592 4.844 -6.191 1.00 43.03 C ATOM 1095 CD2 LEU A 72 11.431 3.689 -6.709 1.00 64.53 C ATOM 0 H LEU A 72 10.605 6.629 -2.890 1.00 3.52 H new ATOM 0 HA LEU A 72 13.034 6.915 -4.494 1.00 52.52 H new ATOM 0 HB2 LEU A 72 11.799 4.740 -4.172 1.00 3.23 H new ATOM 0 HB3 LEU A 72 10.422 5.440 -4.998 1.00 3.23 H new ATOM 0 HG LEU A 72 11.856 5.753 -7.032 1.00 64.42 H new ATOM 0 HD11 LEU A 72 13.982 4.514 -7.154 1.00 43.03 H new ATOM 0 HD12 LEU A 72 14.040 5.802 -5.927 1.00 43.03 H new ATOM 0 HD13 LEU A 72 13.839 4.106 -5.428 1.00 43.03 H new ATOM 0 HD21 LEU A 72 11.847 3.373 -7.666 1.00 64.53 H new ATOM 0 HD22 LEU A 72 11.625 2.923 -5.958 1.00 64.53 H new ATOM 0 HD23 LEU A 72 10.355 3.833 -6.811 1.00 64.53 H new ATOM 1107 N LYS A 73 10.111 8.213 -5.288 1.00 2.15 N ATOM 1108 CA LYS A 73 9.434 9.144 -6.189 1.00 74.02 C ATOM 1109 C LYS A 73 9.713 10.587 -5.780 1.00 11.11 C ATOM 1110 O LYS A 73 9.698 11.492 -6.613 1.00 64.20 O ATOM 1111 CB LYS A 73 7.923 8.893 -6.183 1.00 11.24 C ATOM 1112 CG LYS A 73 7.537 7.419 -6.224 1.00 63.23 C ATOM 1113 CD LYS A 73 8.090 6.702 -7.449 1.00 51.40 C ATOM 1114 CE LYS A 73 7.461 7.207 -8.739 1.00 34.45 C ATOM 1115 NZ LYS A 73 7.908 6.408 -9.910 1.00 63.00 N ATOM 0 H LYS A 73 9.515 7.827 -4.556 1.00 2.15 H new ATOM 0 HA LYS A 73 9.820 8.980 -7.195 1.00 74.02 H new ATOM 0 HB2 LYS A 73 7.494 9.345 -5.289 1.00 11.24 H new ATOM 0 HB3 LYS A 73 7.478 9.398 -7.040 1.00 11.24 H new ATOM 0 HG2 LYS A 73 7.903 6.926 -5.323 1.00 63.23 H new ATOM 0 HG3 LYS A 73 6.451 7.331 -6.216 1.00 63.23 H new ATOM 0 HD2 LYS A 73 9.170 6.842 -7.494 1.00 51.40 H new ATOM 0 HD3 LYS A 73 7.911 5.631 -7.354 1.00 51.40 H new ATOM 0 HE2 LYS A 73 6.375 7.161 -8.658 1.00 34.45 H new ATOM 0 HE3 LYS A 73 7.725 8.254 -8.889 1.00 34.45 H new ATOM 0 HZ1 LYS A 73 7.691 6.925 -10.786 1.00 63.00 H new ATOM 0 HZ2 LYS A 73 8.933 6.246 -9.849 1.00 63.00 H new ATOM 0 HZ3 LYS A 73 7.413 5.494 -9.916 1.00 63.00 H new ATOM 1129 N LYS A 74 9.948 10.782 -4.483 1.00 23.24 N ATOM 1130 CA LYS A 74 10.274 12.091 -3.910 1.00 51.01 C ATOM 1131 C LYS A 74 9.138 13.094 -4.076 1.00 54.31 C ATOM 1132 O LYS A 74 9.343 14.304 -4.005 1.00 74.14 O ATOM 1133 CB LYS A 74 11.576 12.623 -4.506 1.00 73.42 C ATOM 1134 CG LYS A 74 12.763 11.745 -4.161 1.00 25.14 C ATOM 1135 CD LYS A 74 14.070 12.324 -4.661 1.00 41.15 C ATOM 1136 CE LYS A 74 15.239 11.501 -4.158 1.00 70.13 C ATOM 1137 NZ LYS A 74 15.313 11.505 -2.673 1.00 72.54 N ATOM 0 H LYS A 74 9.918 10.031 -3.793 1.00 23.24 H new ATOM 0 HA LYS A 74 10.413 11.955 -2.838 1.00 51.01 H new ATOM 0 HB2 LYS A 74 11.478 12.689 -5.590 1.00 73.42 H new ATOM 0 HB3 LYS A 74 11.755 13.634 -4.140 1.00 73.42 H new ATOM 0 HG2 LYS A 74 12.815 11.616 -3.080 1.00 25.14 H new ATOM 0 HG3 LYS A 74 12.618 10.755 -4.593 1.00 25.14 H new ATOM 0 HD2 LYS A 74 14.073 12.344 -5.751 1.00 41.15 H new ATOM 0 HD3 LYS A 74 14.171 13.355 -4.323 1.00 41.15 H new ATOM 0 HE2 LYS A 74 15.143 10.476 -4.515 1.00 70.13 H new ATOM 0 HE3 LYS A 74 16.167 11.897 -4.570 1.00 70.13 H new ATOM 0 HZ1 LYS A 74 16.277 11.255 -2.373 1.00 72.54 H new ATOM 0 HZ2 LYS A 74 15.074 12.452 -2.316 1.00 72.54 H new ATOM 0 HZ3 LYS A 74 14.640 10.810 -2.290 1.00 72.54 H new ATOM 1151 N GLN A 75 7.932 12.577 -4.257 1.00 33.41 N ATOM 1152 CA GLN A 75 6.742 13.410 -4.312 1.00 42.03 C ATOM 1153 C GLN A 75 5.811 13.049 -3.160 1.00 71.20 C ATOM 1154 O GLN A 75 5.940 11.977 -2.559 1.00 2.14 O ATOM 1155 CB GLN A 75 6.034 13.258 -5.663 1.00 62.12 C ATOM 1156 CG GLN A 75 5.670 11.827 -6.014 1.00 44.01 C ATOM 1157 CD GLN A 75 5.033 11.707 -7.385 1.00 41.33 C ATOM 1158 OE1 GLN A 75 5.171 10.688 -8.058 1.00 30.11 O ATOM 1159 NE2 GLN A 75 4.332 12.748 -7.810 1.00 54.13 N ATOM 0 H GLN A 75 7.752 11.579 -4.369 1.00 33.41 H new ATOM 0 HA GLN A 75 7.034 14.455 -4.211 1.00 42.03 H new ATOM 0 HB2 GLN A 75 5.126 13.861 -5.655 1.00 62.12 H new ATOM 0 HB3 GLN A 75 6.677 13.660 -6.446 1.00 62.12 H new ATOM 0 HG2 GLN A 75 6.567 11.209 -5.979 1.00 44.01 H new ATOM 0 HG3 GLN A 75 4.984 11.436 -5.263 1.00 44.01 H new ATOM 0 HE21 GLN A 75 4.241 13.576 -7.221 1.00 54.13 H new ATOM 0 HE22 GLN A 75 3.884 12.721 -8.726 1.00 54.13 H new ATOM 1168 N HIS A 76 4.885 13.942 -2.845 1.00 74.14 N ATOM 1169 CA HIS A 76 4.010 13.756 -1.696 1.00 74.41 C ATOM 1170 C HIS A 76 2.720 13.064 -2.104 1.00 53.02 C ATOM 1171 O HIS A 76 2.177 13.341 -3.166 1.00 14.55 O ATOM 1172 CB HIS A 76 3.682 15.105 -1.051 1.00 32.04 C ATOM 1173 CG HIS A 76 4.883 15.836 -0.540 1.00 25.33 C ATOM 1174 ND1 HIS A 76 5.410 16.949 -1.160 1.00 10.20 N ATOM 1175 CD2 HIS A 76 5.655 15.611 0.545 1.00 3.20 C ATOM 1176 CE1 HIS A 76 6.457 17.375 -0.478 1.00 64.30 C ATOM 1177 NE2 HIS A 76 6.628 16.578 0.562 1.00 33.01 N ATOM 0 H HIS A 76 4.720 14.802 -3.368 1.00 74.14 H new ATOM 0 HA HIS A 76 4.534 13.129 -0.975 1.00 74.41 H new ATOM 0 HB2 HIS A 76 3.170 15.732 -1.781 1.00 32.04 H new ATOM 0 HB3 HIS A 76 2.988 14.944 -0.226 1.00 32.04 H new ATOM 0 HD2 HIS A 76 5.530 14.817 1.266 1.00 3.20 H new ATOM 0 HE1 HIS A 76 7.069 18.229 -0.727 1.00 64.30 H new ATOM 0 HE2 HIS A 76 7.363 16.667 1.263 1.00 33.01 H new ATOM 1186 N PHE A 77 2.246 12.155 -1.264 1.00 71.32 N ATOM 1187 CA PHE A 77 0.962 11.502 -1.478 1.00 40.33 C ATOM 1188 C PHE A 77 0.113 11.594 -0.219 1.00 43.02 C ATOM 1189 O PHE A 77 0.618 11.448 0.894 1.00 61.33 O ATOM 1190 CB PHE A 77 1.147 10.033 -1.871 1.00 22.10 C ATOM 1191 CG PHE A 77 1.538 9.828 -3.307 1.00 22.15 C ATOM 1192 CD1 PHE A 77 2.868 9.845 -3.693 1.00 64.41 C ATOM 1193 CD2 PHE A 77 0.568 9.609 -4.269 1.00 64.03 C ATOM 1194 CE1 PHE A 77 3.222 9.650 -5.013 1.00 23.32 C ATOM 1195 CE2 PHE A 77 0.914 9.415 -5.591 1.00 45.24 C ATOM 1196 CZ PHE A 77 2.244 9.437 -5.964 1.00 34.44 C ATOM 0 H PHE A 77 2.735 11.851 -0.422 1.00 71.32 H new ATOM 0 HA PHE A 77 0.456 12.015 -2.296 1.00 40.33 H new ATOM 0 HB2 PHE A 77 1.910 9.590 -1.231 1.00 22.10 H new ATOM 0 HB3 PHE A 77 0.218 9.496 -1.678 1.00 22.10 H new ATOM 0 HD1 PHE A 77 3.637 10.013 -2.953 1.00 64.41 H new ATOM 0 HD2 PHE A 77 -0.473 9.590 -3.982 1.00 64.03 H new ATOM 0 HE1 PHE A 77 4.263 9.664 -5.301 1.00 23.32 H new ATOM 0 HE2 PHE A 77 0.147 9.246 -6.332 1.00 45.24 H new ATOM 0 HZ PHE A 77 2.518 9.288 -6.998 1.00 34.44 H new ATOM 1206 N ARG A 78 -1.172 11.849 -0.395 1.00 74.52 N ATOM 1207 CA ARG A 78 -2.090 11.915 0.727 1.00 65.20 C ATOM 1208 C ARG A 78 -2.796 10.579 0.892 1.00 55.01 C ATOM 1209 O ARG A 78 -3.370 10.056 -0.065 1.00 40.22 O ATOM 1210 CB ARG A 78 -3.107 13.034 0.517 1.00 25.42 C ATOM 1211 CG ARG A 78 -3.952 13.324 1.743 1.00 62.20 C ATOM 1212 CD ARG A 78 -4.886 14.498 1.505 1.00 51.54 C ATOM 1213 NE ARG A 78 -5.721 14.775 2.665 1.00 0.11 N ATOM 1214 CZ ARG A 78 -6.962 15.256 2.595 1.00 4.22 C ATOM 1215 NH1 ARG A 78 -7.550 15.450 1.416 1.00 55.42 N ATOM 1216 NH2 ARG A 78 -7.620 15.529 3.713 1.00 5.51 N ATOM 0 H ARG A 78 -1.603 12.014 -1.305 1.00 74.52 H new ATOM 0 HA ARG A 78 -1.527 12.132 1.635 1.00 65.20 H new ATOM 0 HB2 ARG A 78 -2.580 13.943 0.226 1.00 25.42 H new ATOM 0 HB3 ARG A 78 -3.763 12.767 -0.311 1.00 25.42 H new ATOM 0 HG2 ARG A 78 -4.534 12.440 2.003 1.00 62.20 H new ATOM 0 HG3 ARG A 78 -3.303 13.539 2.592 1.00 62.20 H new ATOM 0 HD2 ARG A 78 -4.300 15.384 1.261 1.00 51.54 H new ATOM 0 HD3 ARG A 78 -5.520 14.288 0.644 1.00 51.54 H new ATOM 0 HE ARG A 78 -5.332 14.589 3.589 1.00 0.11 H new ATOM 0 HH11 ARG A 78 -7.050 15.230 0.554 1.00 55.42 H new ATOM 0 HH12 ARG A 78 -8.500 15.819 1.374 1.00 55.42 H new ATOM 0 HH21 ARG A 78 -7.176 15.371 4.618 1.00 5.51 H new ATOM 0 HH22 ARG A 78 -8.570 15.897 3.669 1.00 5.51 H new ATOM 1230 N LEU A 79 -2.743 10.038 2.104 1.00 64.13 N ATOM 1231 CA LEU A 79 -3.295 8.714 2.390 1.00 13.31 C ATOM 1232 C LEU A 79 -4.776 8.641 2.038 1.00 42.22 C ATOM 1233 O LEU A 79 -5.183 7.843 1.195 1.00 54.22 O ATOM 1234 CB LEU A 79 -3.087 8.361 3.865 1.00 32.52 C ATOM 1235 CG LEU A 79 -1.635 8.396 4.345 1.00 41.01 C ATOM 1236 CD1 LEU A 79 -1.555 8.042 5.821 1.00 35.11 C ATOM 1237 CD2 LEU A 79 -0.772 7.452 3.521 1.00 11.44 C ATOM 0 H LEU A 79 -2.321 10.498 2.911 1.00 64.13 H new ATOM 0 HA LEU A 79 -2.766 7.990 1.770 1.00 13.31 H new ATOM 0 HB2 LEU A 79 -3.671 9.052 4.473 1.00 32.52 H new ATOM 0 HB3 LEU A 79 -3.488 7.363 4.043 1.00 32.52 H new ATOM 0 HG LEU A 79 -1.254 9.409 4.211 1.00 41.01 H new ATOM 0 HD11 LEU A 79 -0.515 8.072 6.146 1.00 35.11 H new ATOM 0 HD12 LEU A 79 -2.137 8.760 6.399 1.00 35.11 H new ATOM 0 HD13 LEU A 79 -1.956 7.040 5.977 1.00 35.11 H new ATOM 0 HD21 LEU A 79 0.257 7.493 3.880 1.00 11.44 H new ATOM 0 HD22 LEU A 79 -1.150 6.434 3.619 1.00 11.44 H new ATOM 0 HD23 LEU A 79 -0.803 7.751 2.473 1.00 11.44 H new ATOM 1249 N TYR A 80 -5.584 9.471 2.677 1.00 60.31 N ATOM 1250 CA TYR A 80 -7.009 9.491 2.388 1.00 62.51 C ATOM 1251 C TYR A 80 -7.322 10.615 1.413 1.00 24.23 C ATOM 1252 O TYR A 80 -7.791 11.685 1.804 1.00 42.51 O ATOM 1253 CB TYR A 80 -7.827 9.633 3.673 1.00 15.31 C ATOM 1254 CG TYR A 80 -9.320 9.479 3.471 1.00 20.04 C ATOM 1255 CD1 TYR A 80 -9.891 8.222 3.318 1.00 11.01 C ATOM 1256 CD2 TYR A 80 -10.157 10.590 3.434 1.00 23.01 C ATOM 1257 CE1 TYR A 80 -11.251 8.076 3.132 1.00 74.52 C ATOM 1258 CE2 TYR A 80 -11.518 10.449 3.250 1.00 1.13 C ATOM 1259 CZ TYR A 80 -12.059 9.191 3.097 1.00 54.30 C ATOM 1260 OH TYR A 80 -13.413 9.046 2.924 1.00 41.05 O ATOM 0 H TYR A 80 -5.282 10.133 3.392 1.00 60.31 H new ATOM 0 HA TYR A 80 -7.286 8.543 1.927 1.00 62.51 H new ATOM 0 HB2 TYR A 80 -7.489 8.886 4.392 1.00 15.31 H new ATOM 0 HB3 TYR A 80 -7.629 10.611 4.112 1.00 15.31 H new ATOM 0 HD1 TYR A 80 -9.261 7.345 3.345 1.00 11.01 H new ATOM 0 HD2 TYR A 80 -9.736 11.577 3.551 1.00 23.01 H new ATOM 0 HE1 TYR A 80 -11.680 7.092 3.014 1.00 74.52 H new ATOM 0 HE2 TYR A 80 -12.156 11.320 3.226 1.00 1.13 H new ATOM 0 HH TYR A 80 -13.839 9.929 2.923 1.00 41.05 H new ATOM 1270 N ASP A 81 -7.010 10.368 0.147 1.00 53.40 N ATOM 1271 CA ASP A 81 -7.229 11.345 -0.913 1.00 64.32 C ATOM 1272 C ASP A 81 -6.815 10.756 -2.253 1.00 41.22 C ATOM 1273 O ASP A 81 -7.622 10.648 -3.178 1.00 14.40 O ATOM 1274 CB ASP A 81 -6.421 12.605 -0.627 1.00 60.32 C ATOM 1275 CG ASP A 81 -6.688 13.722 -1.602 1.00 3.13 C ATOM 1276 OD1 ASP A 81 -7.665 14.471 -1.399 1.00 72.43 O ATOM 1277 OD2 ASP A 81 -5.898 13.878 -2.548 1.00 3.11 O ATOM 0 H ASP A 81 -6.600 9.490 -0.173 1.00 53.40 H new ATOM 0 HA ASP A 81 -8.288 11.601 -0.950 1.00 64.32 H new ATOM 0 HB2 ASP A 81 -6.647 12.951 0.381 1.00 60.32 H new ATOM 0 HB3 ASP A 81 -5.359 12.360 -0.649 1.00 60.32 H new ATOM 1282 N GLY A 82 -5.550 10.365 -2.345 1.00 45.22 N ATOM 1283 CA GLY A 82 -5.067 9.699 -3.538 1.00 71.10 C ATOM 1284 C GLY A 82 -4.250 10.601 -4.442 1.00 30.24 C ATOM 1285 O GLY A 82 -3.534 10.113 -5.319 1.00 5.21 O ATOM 0 H GLY A 82 -4.851 10.497 -1.615 1.00 45.22 H new ATOM 0 HA2 GLY A 82 -4.459 8.843 -3.246 1.00 71.10 H new ATOM 0 HA3 GLY A 82 -5.918 9.310 -4.098 1.00 71.10 H new ATOM 1289 N PHE A 83 -4.349 11.908 -4.239 1.00 14.51 N ATOM 1290 CA PHE A 83 -3.629 12.860 -5.079 1.00 1.14 C ATOM 1291 C PHE A 83 -2.209 13.092 -4.569 1.00 63.13 C ATOM 1292 O PHE A 83 -1.893 12.795 -3.414 1.00 32.12 O ATOM 1293 CB PHE A 83 -4.381 14.188 -5.171 1.00 12.52 C ATOM 1294 CG PHE A 83 -5.651 14.103 -5.976 1.00 14.53 C ATOM 1295 CD1 PHE A 83 -6.840 13.691 -5.390 1.00 74.24 C ATOM 1296 CD2 PHE A 83 -5.654 14.429 -7.322 1.00 4.14 C ATOM 1297 CE1 PHE A 83 -8.002 13.610 -6.133 1.00 35.14 C ATOM 1298 CE2 PHE A 83 -6.814 14.349 -8.068 1.00 54.32 C ATOM 1299 CZ PHE A 83 -7.988 13.939 -7.472 1.00 61.11 C ATOM 0 H PHE A 83 -4.916 12.333 -3.505 1.00 14.51 H new ATOM 0 HA PHE A 83 -3.564 12.427 -6.077 1.00 1.14 H new ATOM 0 HB2 PHE A 83 -4.620 14.532 -4.165 1.00 12.52 H new ATOM 0 HB3 PHE A 83 -3.727 14.937 -5.617 1.00 12.52 H new ATOM 0 HD1 PHE A 83 -6.857 13.431 -4.342 1.00 74.24 H new ATOM 0 HD2 PHE A 83 -4.737 14.750 -7.795 1.00 4.14 H new ATOM 0 HE1 PHE A 83 -8.921 13.289 -5.665 1.00 35.14 H new ATOM 0 HE2 PHE A 83 -6.801 14.607 -9.117 1.00 54.32 H new ATOM 0 HZ PHE A 83 -8.896 13.876 -8.054 1.00 61.11 H new ATOM 1309 N CYS A 84 -1.368 13.639 -5.439 1.00 30.33 N ATOM 1310 CA CYS A 84 0.048 13.815 -5.143 1.00 53.31 C ATOM 1311 C CYS A 84 0.336 15.227 -4.626 1.00 12.34 C ATOM 1312 O CYS A 84 1.358 15.823 -4.977 1.00 61.42 O ATOM 1313 CB CYS A 84 0.868 13.553 -6.410 1.00 2.34 C ATOM 1314 SG CYS A 84 0.196 12.251 -7.474 1.00 22.14 S ATOM 0 H CYS A 84 -1.646 13.971 -6.363 1.00 30.33 H new ATOM 0 HA CYS A 84 0.327 13.106 -4.364 1.00 53.31 H new ATOM 0 HB2 CYS A 84 0.934 14.477 -6.984 1.00 2.34 H new ATOM 0 HB3 CYS A 84 1.884 13.283 -6.122 1.00 2.34 H new ATOM 0 HG CYS A 84 0.383 11.093 -6.914 1.00 22.14 H new ATOM 1320 N LEU A 85 -0.557 15.739 -3.775 1.00 64.44 N ATOM 1321 CA LEU A 85 -0.443 17.090 -3.213 1.00 35.11 C ATOM 1322 C LEU A 85 -0.454 18.165 -4.305 1.00 13.23 C ATOM 1323 O LEU A 85 -1.499 18.742 -4.612 1.00 74.15 O ATOM 1324 CB LEU A 85 0.818 17.219 -2.344 1.00 11.51 C ATOM 1325 CG LEU A 85 1.099 18.620 -1.781 1.00 32.40 C ATOM 1326 CD1 LEU A 85 -0.047 19.101 -0.903 1.00 11.42 C ATOM 1327 CD2 LEU A 85 2.394 18.618 -0.993 1.00 55.13 C ATOM 0 H LEU A 85 -1.381 15.229 -3.455 1.00 64.44 H new ATOM 0 HA LEU A 85 -1.318 17.251 -2.583 1.00 35.11 H new ATOM 0 HB2 LEU A 85 0.735 16.522 -1.510 1.00 11.51 H new ATOM 0 HB3 LEU A 85 1.678 16.906 -2.936 1.00 11.51 H new ATOM 0 HG LEU A 85 1.193 19.308 -2.621 1.00 32.40 H new ATOM 0 HD11 LEU A 85 0.181 20.095 -0.519 1.00 11.42 H new ATOM 0 HD12 LEU A 85 -0.964 19.141 -1.491 1.00 11.42 H new ATOM 0 HD13 LEU A 85 -0.180 18.412 -0.069 1.00 11.42 H new ATOM 0 HD21 LEU A 85 2.582 19.617 -0.599 1.00 55.13 H new ATOM 0 HD22 LEU A 85 2.316 17.911 -0.167 1.00 55.13 H new ATOM 0 HD23 LEU A 85 3.216 18.325 -1.645 1.00 55.13 H new ATOM 1339 N GLU A 86 0.708 18.422 -4.889 1.00 21.21 N ATOM 1340 CA GLU A 86 0.842 19.444 -5.916 1.00 3.04 C ATOM 1341 C GLU A 86 1.112 18.808 -7.271 1.00 63.21 C ATOM 1342 O GLU A 86 0.930 19.439 -8.313 1.00 23.54 O ATOM 1343 CB GLU A 86 1.970 20.408 -5.556 1.00 23.03 C ATOM 1344 CG GLU A 86 1.747 21.126 -4.237 1.00 3.31 C ATOM 1345 CD GLU A 86 2.888 22.051 -3.875 1.00 54.34 C ATOM 1346 OE1 GLU A 86 2.858 23.225 -4.295 1.00 63.34 O ATOM 1347 OE2 GLU A 86 3.811 21.610 -3.158 1.00 63.44 O ATOM 0 H GLU A 86 1.575 17.934 -4.667 1.00 21.21 H new ATOM 0 HA GLU A 86 -0.094 20.000 -5.974 1.00 3.04 H new ATOM 0 HB2 GLU A 86 2.909 19.856 -5.507 1.00 23.03 H new ATOM 0 HB3 GLU A 86 2.075 21.147 -6.351 1.00 23.03 H new ATOM 0 HG2 GLU A 86 0.823 21.701 -4.293 1.00 3.31 H new ATOM 0 HG3 GLU A 86 1.617 20.389 -3.444 1.00 3.31 H new ATOM 1354 N ASP A 87 1.538 17.553 -7.251 1.00 40.13 N ATOM 1355 CA ASP A 87 1.855 16.836 -8.476 1.00 33.22 C ATOM 1356 C ASP A 87 0.644 16.055 -8.964 1.00 32.04 C ATOM 1357 O ASP A 87 -0.375 15.974 -8.278 1.00 2.11 O ATOM 1358 CB ASP A 87 3.031 15.875 -8.263 1.00 4.13 C ATOM 1359 CG ASP A 87 4.314 16.586 -7.886 1.00 52.11 C ATOM 1360 OD1 ASP A 87 4.908 17.251 -8.762 1.00 23.11 O ATOM 1361 OD2 ASP A 87 4.735 16.484 -6.714 1.00 74.32 O ATOM 0 H ASP A 87 1.672 17.010 -6.398 1.00 40.13 H new ATOM 0 HA ASP A 87 2.136 17.573 -9.228 1.00 33.22 H new ATOM 0 HB2 ASP A 87 2.773 15.162 -7.480 1.00 4.13 H new ATOM 0 HB3 ASP A 87 3.194 15.301 -9.175 1.00 4.13 H new ATOM 1366 N GLY A 88 0.762 15.493 -10.151 1.00 32.32 N ATOM 1367 CA GLY A 88 -0.294 14.669 -10.703 1.00 51.15 C ATOM 1368 C GLY A 88 0.276 13.532 -11.516 1.00 70.12 C ATOM 1369 O GLY A 88 0.019 13.419 -12.713 1.00 1.31 O ATOM 0 H GLY A 88 1.580 15.592 -10.752 1.00 32.32 H new ATOM 0 HA2 GLY A 88 -0.909 14.271 -9.896 1.00 51.15 H new ATOM 0 HA3 GLY A 88 -0.945 15.278 -11.330 1.00 51.15 H new ATOM 1373 N ALA A 89 1.063 12.693 -10.859 1.00 21.15 N ATOM 1374 CA ALA A 89 1.790 11.634 -11.543 1.00 13.12 C ATOM 1375 C ALA A 89 1.038 10.311 -11.507 1.00 24.41 C ATOM 1376 O ALA A 89 1.204 9.474 -12.397 1.00 72.50 O ATOM 1377 CB ALA A 89 3.168 11.475 -10.926 1.00 71.14 C ATOM 0 H ALA A 89 1.215 12.725 -9.851 1.00 21.15 H new ATOM 0 HA ALA A 89 1.890 11.920 -12.590 1.00 13.12 H new ATOM 0 HB1 ALA A 89 3.708 10.681 -11.442 1.00 71.14 H new ATOM 0 HB2 ALA A 89 3.720 12.410 -11.021 1.00 71.14 H new ATOM 0 HB3 ALA A 89 3.067 11.219 -9.871 1.00 71.14 H new ATOM 1383 N TYR A 90 0.216 10.113 -10.486 1.00 11.40 N ATOM 1384 CA TYR A 90 -0.500 8.852 -10.339 1.00 60.42 C ATOM 1385 C TYR A 90 -1.982 9.058 -10.042 1.00 2.25 C ATOM 1386 O TYR A 90 -2.824 8.759 -10.889 1.00 10.22 O ATOM 1387 CB TYR A 90 0.134 7.981 -9.250 1.00 72.10 C ATOM 1388 CG TYR A 90 1.452 7.368 -9.660 1.00 35.03 C ATOM 1389 CD1 TYR A 90 1.570 6.686 -10.862 1.00 24.01 C ATOM 1390 CD2 TYR A 90 2.573 7.469 -8.849 1.00 43.23 C ATOM 1391 CE1 TYR A 90 2.767 6.122 -11.248 1.00 52.42 C ATOM 1392 CE2 TYR A 90 3.777 6.905 -9.227 1.00 34.54 C ATOM 1393 CZ TYR A 90 3.868 6.233 -10.430 1.00 61.42 C ATOM 1394 OH TYR A 90 5.062 5.670 -10.821 1.00 14.42 O ATOM 0 H TYR A 90 0.029 10.799 -9.755 1.00 11.40 H new ATOM 0 HA TYR A 90 -0.421 8.338 -11.297 1.00 60.42 H new ATOM 0 HB2 TYR A 90 0.286 8.585 -8.355 1.00 72.10 H new ATOM 0 HB3 TYR A 90 -0.561 7.185 -8.983 1.00 72.10 H new ATOM 0 HD1 TYR A 90 0.709 6.595 -11.507 1.00 24.01 H new ATOM 0 HD2 TYR A 90 2.504 7.996 -7.909 1.00 43.23 H new ATOM 0 HE1 TYR A 90 2.840 5.595 -12.188 1.00 52.42 H new ATOM 0 HE2 TYR A 90 4.642 6.989 -8.585 1.00 34.54 H new ATOM 0 HH TYR A 90 5.483 5.229 -10.054 1.00 14.42 H new ATOM 1404 N SER A 91 -2.285 9.578 -8.849 1.00 11.13 N ATOM 1405 CA SER A 91 -3.664 9.660 -8.358 1.00 23.32 C ATOM 1406 C SER A 91 -4.246 8.253 -8.219 1.00 13.23 C ATOM 1407 O SER A 91 -4.855 7.715 -9.145 1.00 73.11 O ATOM 1408 CB SER A 91 -4.527 10.528 -9.280 1.00 24.43 C ATOM 1409 OG SER A 91 -3.960 11.822 -9.440 1.00 15.23 O ATOM 0 H SER A 91 -1.590 9.950 -8.202 1.00 11.13 H new ATOM 0 HA SER A 91 -3.660 10.135 -7.377 1.00 23.32 H new ATOM 0 HB2 SER A 91 -4.623 10.047 -10.253 1.00 24.43 H new ATOM 0 HB3 SER A 91 -5.532 10.616 -8.867 1.00 24.43 H new ATOM 0 HG SER A 91 -4.527 12.357 -10.034 1.00 15.23 H new ATOM 1415 N VAL A 92 -4.035 7.658 -7.051 1.00 5.42 N ATOM 1416 CA VAL A 92 -4.332 6.246 -6.835 1.00 53.50 C ATOM 1417 C VAL A 92 -5.789 6.007 -6.437 1.00 60.03 C ATOM 1418 O VAL A 92 -6.573 6.950 -6.305 1.00 62.34 O ATOM 1419 CB VAL A 92 -3.401 5.647 -5.765 1.00 11.41 C ATOM 1420 CG1 VAL A 92 -1.956 5.699 -6.234 1.00 52.03 C ATOM 1421 CG2 VAL A 92 -3.562 6.371 -4.436 1.00 3.30 C ATOM 0 H VAL A 92 -3.656 8.135 -6.233 1.00 5.42 H new ATOM 0 HA VAL A 92 -4.161 5.747 -7.789 1.00 53.50 H new ATOM 0 HB VAL A 92 -3.680 4.604 -5.614 1.00 11.41 H new ATOM 0 HG11 VAL A 92 -1.309 5.272 -5.468 1.00 52.03 H new ATOM 0 HG12 VAL A 92 -1.852 5.127 -7.156 1.00 52.03 H new ATOM 0 HG13 VAL A 92 -1.669 6.735 -6.415 1.00 52.03 H new ATOM 0 HG21 VAL A 92 -2.893 5.929 -3.697 1.00 3.30 H new ATOM 0 HG22 VAL A 92 -3.315 7.425 -4.564 1.00 3.30 H new ATOM 0 HG23 VAL A 92 -4.593 6.279 -4.094 1.00 3.30 H new ATOM 1431 N ALA A 93 -6.136 4.737 -6.252 1.00 51.22 N ATOM 1432 CA ALA A 93 -7.504 4.343 -5.930 1.00 72.23 C ATOM 1433 C ALA A 93 -7.726 4.319 -4.422 1.00 35.02 C ATOM 1434 O ALA A 93 -6.771 4.385 -3.650 1.00 55.11 O ATOM 1435 CB ALA A 93 -7.809 2.978 -6.530 1.00 15.14 C ATOM 0 H ALA A 93 -5.482 3.957 -6.320 1.00 51.22 H new ATOM 0 HA ALA A 93 -8.182 5.080 -6.359 1.00 72.23 H new ATOM 0 HB1 ALA A 93 -8.832 2.693 -6.284 1.00 15.14 H new ATOM 0 HB2 ALA A 93 -7.695 3.023 -7.613 1.00 15.14 H new ATOM 0 HB3 ALA A 93 -7.119 2.239 -6.123 1.00 15.14 H new ATOM 1441 N ALA A 94 -8.983 4.193 -4.009 1.00 65.15 N ATOM 1442 CA ALA A 94 -9.343 4.230 -2.602 1.00 51.43 C ATOM 1443 C ALA A 94 -10.543 3.335 -2.340 1.00 1.21 C ATOM 1444 O ALA A 94 -11.610 3.522 -2.926 1.00 50.44 O ATOM 1445 CB ALA A 94 -9.634 5.660 -2.163 1.00 14.24 C ATOM 0 H ALA A 94 -9.775 4.063 -4.639 1.00 65.15 H new ATOM 0 HA ALA A 94 -8.501 3.858 -2.018 1.00 51.43 H new ATOM 0 HB1 ALA A 94 -9.902 5.669 -1.106 1.00 14.24 H new ATOM 0 HB2 ALA A 94 -8.748 6.276 -2.318 1.00 14.24 H new ATOM 0 HB3 ALA A 94 -10.461 6.060 -2.750 1.00 14.24 H new ATOM 1451 N TYR A 95 -10.355 2.348 -1.479 1.00 55.52 N ATOM 1452 CA TYR A 95 -11.411 1.400 -1.149 1.00 12.54 C ATOM 1453 C TYR A 95 -11.841 1.557 0.302 1.00 34.42 C ATOM 1454 O TYR A 95 -11.063 2.017 1.140 1.00 61.33 O ATOM 1455 CB TYR A 95 -10.940 -0.037 -1.395 1.00 71.43 C ATOM 1456 CG TYR A 95 -10.569 -0.324 -2.834 1.00 4.30 C ATOM 1457 CD1 TYR A 95 -9.288 -0.066 -3.305 1.00 33.30 C ATOM 1458 CD2 TYR A 95 -11.504 -0.845 -3.722 1.00 51.24 C ATOM 1459 CE1 TYR A 95 -8.950 -0.319 -4.620 1.00 23.33 C ATOM 1460 CE2 TYR A 95 -11.171 -1.102 -5.038 1.00 30.34 C ATOM 1461 CZ TYR A 95 -9.894 -0.835 -5.483 1.00 25.22 C ATOM 1462 OH TYR A 95 -9.558 -1.086 -6.794 1.00 72.51 O ATOM 0 H TYR A 95 -9.475 2.181 -0.992 1.00 55.52 H new ATOM 0 HA TYR A 95 -12.264 1.610 -1.794 1.00 12.54 H new ATOM 0 HB2 TYR A 95 -10.077 -0.240 -0.761 1.00 71.43 H new ATOM 0 HB3 TYR A 95 -11.729 -0.725 -1.090 1.00 71.43 H new ATOM 0 HD1 TYR A 95 -8.545 0.338 -2.633 1.00 33.30 H new ATOM 0 HD2 TYR A 95 -12.506 -1.052 -3.377 1.00 51.24 H new ATOM 0 HE1 TYR A 95 -7.950 -0.113 -4.971 1.00 23.33 H new ATOM 0 HE2 TYR A 95 -11.907 -1.510 -5.715 1.00 30.34 H new ATOM 0 HH TYR A 95 -10.336 -1.449 -7.267 1.00 72.51 H new ATOM 1472 N ASP A 96 -13.081 1.185 0.594 1.00 32.12 N ATOM 1473 CA ASP A 96 -13.592 1.233 1.958 1.00 50.24 C ATOM 1474 C ASP A 96 -13.057 0.061 2.759 1.00 43.00 C ATOM 1475 O ASP A 96 -13.289 -1.096 2.407 1.00 65.00 O ATOM 1476 CB ASP A 96 -15.124 1.214 1.975 1.00 21.14 C ATOM 1477 CG ASP A 96 -15.739 2.518 1.513 1.00 32.25 C ATOM 1478 OD1 ASP A 96 -15.983 2.671 0.297 1.00 60.42 O ATOM 1479 OD2 ASP A 96 -15.991 3.393 2.368 1.00 24.15 O ATOM 0 H ASP A 96 -13.752 0.847 -0.096 1.00 32.12 H new ATOM 0 HA ASP A 96 -13.254 2.165 2.410 1.00 50.24 H new ATOM 0 HB2 ASP A 96 -15.479 0.405 1.336 1.00 21.14 H new ATOM 0 HB3 ASP A 96 -15.468 0.995 2.986 1.00 21.14 H new ATOM 1484 N THR A 97 -12.338 0.365 3.825 1.00 35.25 N ATOM 1485 CA THR A 97 -11.728 -0.653 4.664 1.00 22.33 C ATOM 1486 C THR A 97 -12.255 -0.564 6.096 1.00 20.23 C ATOM 1487 O THR A 97 -12.535 0.528 6.593 1.00 1.50 O ATOM 1488 CB THR A 97 -10.194 -0.500 4.677 1.00 74.10 C ATOM 1489 OG1 THR A 97 -9.823 0.802 5.154 1.00 71.35 O ATOM 1490 CG2 THR A 97 -9.619 -0.705 3.287 1.00 2.51 C ATOM 0 H THR A 97 -12.161 1.321 4.133 1.00 35.25 H new ATOM 0 HA THR A 97 -11.989 -1.625 4.247 1.00 22.33 H new ATOM 0 HB THR A 97 -9.790 -1.260 5.346 1.00 74.10 H new ATOM 0 HG1 THR A 97 -8.846 0.883 5.158 1.00 71.35 H new ATOM 0 HG21 THR A 97 -8.535 -0.592 3.321 1.00 2.51 H new ATOM 0 HG22 THR A 97 -9.869 -1.706 2.934 1.00 2.51 H new ATOM 0 HG23 THR A 97 -10.040 0.035 2.606 1.00 2.51 H new ATOM 1498 N GLN A 98 -12.398 -1.707 6.751 1.00 4.43 N ATOM 1499 CA GLN A 98 -12.856 -1.736 8.131 1.00 3.42 C ATOM 1500 C GLN A 98 -12.325 -2.962 8.859 1.00 33.42 C ATOM 1501 O GLN A 98 -12.114 -4.016 8.254 1.00 75.41 O ATOM 1502 CB GLN A 98 -14.386 -1.727 8.192 1.00 4.54 C ATOM 1503 CG GLN A 98 -14.936 -1.732 9.609 1.00 21.32 C ATOM 1504 CD GLN A 98 -16.448 -1.806 9.667 1.00 11.21 C ATOM 1505 OE1 GLN A 98 -17.143 -1.350 8.761 1.00 50.42 O ATOM 1506 NE2 GLN A 98 -16.965 -2.377 10.745 1.00 20.11 N ATOM 0 H GLN A 98 -12.204 -2.624 6.350 1.00 4.43 H new ATOM 0 HA GLN A 98 -12.472 -0.843 8.624 1.00 3.42 H new ATOM 0 HB2 GLN A 98 -14.757 -0.845 7.670 1.00 4.54 H new ATOM 0 HB3 GLN A 98 -14.768 -2.598 7.659 1.00 4.54 H new ATOM 0 HG2 GLN A 98 -14.517 -2.580 10.150 1.00 21.32 H new ATOM 0 HG3 GLN A 98 -14.604 -0.830 10.123 1.00 21.32 H new ATOM 0 HE21 GLN A 98 -16.351 -2.742 11.473 1.00 20.11 H new ATOM 0 HE22 GLN A 98 -17.977 -2.451 10.847 1.00 20.11 H new ATOM 1515 N VAL A 99 -12.100 -2.804 10.153 1.00 35.11 N ATOM 1516 CA VAL A 99 -11.717 -3.915 11.010 1.00 34.40 C ATOM 1517 C VAL A 99 -12.942 -4.404 11.771 1.00 65.01 C ATOM 1518 O VAL A 99 -13.459 -3.705 12.643 1.00 2.12 O ATOM 1519 CB VAL A 99 -10.613 -3.513 12.012 1.00 21.34 C ATOM 1520 CG1 VAL A 99 -10.175 -4.708 12.844 1.00 23.22 C ATOM 1521 CG2 VAL A 99 -9.424 -2.907 11.284 1.00 52.34 C ATOM 0 H VAL A 99 -12.177 -1.909 10.637 1.00 35.11 H new ATOM 0 HA VAL A 99 -11.319 -4.709 10.378 1.00 34.40 H new ATOM 0 HB VAL A 99 -11.025 -2.762 12.686 1.00 21.34 H new ATOM 0 HG11 VAL A 99 -9.397 -4.400 13.542 1.00 23.22 H new ATOM 0 HG12 VAL A 99 -11.028 -5.097 13.400 1.00 23.22 H new ATOM 0 HG13 VAL A 99 -9.786 -5.486 12.187 1.00 23.22 H new ATOM 0 HG21 VAL A 99 -8.657 -2.630 12.007 1.00 52.34 H new ATOM 0 HG22 VAL A 99 -9.016 -3.636 10.584 1.00 52.34 H new ATOM 0 HG23 VAL A 99 -9.745 -2.020 10.738 1.00 52.34 H new ATOM 1531 N THR A 100 -13.422 -5.584 11.419 1.00 24.05 N ATOM 1532 CA THR A 100 -14.656 -6.098 11.993 1.00 54.51 C ATOM 1533 C THR A 100 -14.386 -7.031 13.166 1.00 1.35 C ATOM 1534 O THR A 100 -14.772 -6.754 14.304 1.00 50.13 O ATOM 1535 CB THR A 100 -15.487 -6.837 10.929 1.00 72.11 C ATOM 1536 OG1 THR A 100 -15.569 -6.036 9.741 1.00 2.23 O ATOM 1537 CG2 THR A 100 -16.887 -7.129 11.447 1.00 24.51 C ATOM 0 H THR A 100 -12.979 -6.204 10.741 1.00 24.05 H new ATOM 0 HA THR A 100 -15.220 -5.240 12.359 1.00 54.51 H new ATOM 0 HB THR A 100 -14.997 -7.784 10.701 1.00 72.11 H new ATOM 0 HG1 THR A 100 -16.413 -6.221 9.279 1.00 2.23 H new ATOM 0 HG21 THR A 100 -17.457 -7.652 10.679 1.00 24.51 H new ATOM 0 HG22 THR A 100 -16.822 -7.753 12.339 1.00 24.51 H new ATOM 0 HG23 THR A 100 -17.386 -6.192 11.695 1.00 24.51 H new ATOM 1545 N ASN A 101 -13.724 -8.134 12.877 1.00 52.11 N ATOM 1546 CA ASN A 101 -13.433 -9.144 13.884 1.00 52.03 C ATOM 1547 C ASN A 101 -11.935 -9.403 13.939 1.00 45.43 C ATOM 1548 O ASN A 101 -11.482 -10.538 13.774 1.00 44.41 O ATOM 1549 CB ASN A 101 -14.175 -10.451 13.570 1.00 73.10 C ATOM 1550 CG ASN A 101 -15.684 -10.290 13.563 1.00 3.42 C ATOM 1551 OD1 ASN A 101 -16.234 -9.431 14.249 1.00 3.10 O ATOM 1552 ND2 ASN A 101 -16.363 -11.116 12.783 1.00 72.34 N ATOM 0 H ASN A 101 -13.373 -8.358 11.946 1.00 52.11 H new ATOM 0 HA ASN A 101 -13.772 -8.775 14.852 1.00 52.03 H new ATOM 0 HB2 ASN A 101 -13.850 -10.822 12.598 1.00 73.10 H new ATOM 0 HB3 ASN A 101 -13.899 -11.205 14.307 1.00 73.10 H new ATOM 0 HD21 ASN A 101 -17.380 -11.053 12.736 1.00 72.34 H new ATOM 0 HD22 ASN A 101 -15.869 -11.816 12.229 1.00 72.34 H new ATOM 1559 N GLY A 102 -11.168 -8.342 14.149 1.00 1.23 N ATOM 1560 CA GLY A 102 -9.718 -8.452 14.142 1.00 71.45 C ATOM 1561 C GLY A 102 -9.157 -8.558 12.736 1.00 45.40 C ATOM 1562 O GLY A 102 -7.939 -8.625 12.542 1.00 72.25 O ATOM 0 H GLY A 102 -11.523 -7.402 14.325 1.00 1.23 H new ATOM 0 HA2 GLY A 102 -9.287 -7.583 14.638 1.00 71.45 H new ATOM 0 HA3 GLY A 102 -9.419 -9.328 14.717 1.00 71.45 H new ATOM 1566 N ASN A 103 -10.049 -8.562 11.759 1.00 45.34 N ATOM 1567 CA ASN A 103 -9.675 -8.711 10.362 1.00 33.14 C ATOM 1568 C ASN A 103 -9.905 -7.412 9.601 1.00 12.42 C ATOM 1569 O ASN A 103 -10.850 -6.673 9.883 1.00 22.22 O ATOM 1570 CB ASN A 103 -10.469 -9.854 9.706 1.00 31.35 C ATOM 1571 CG ASN A 103 -11.972 -9.599 9.649 1.00 71.12 C ATOM 1572 OD1 ASN A 103 -12.541 -8.906 10.497 1.00 72.42 O ATOM 1573 ND2 ASN A 103 -12.629 -10.176 8.655 1.00 22.20 N ATOM 0 H ASN A 103 -11.053 -8.462 11.912 1.00 45.34 H new ATOM 0 HA ASN A 103 -8.613 -8.955 10.322 1.00 33.14 H new ATOM 0 HB2 ASN A 103 -10.097 -10.009 8.693 1.00 31.35 H new ATOM 0 HB3 ASN A 103 -10.286 -10.776 10.258 1.00 31.35 H new ATOM 0 HD21 ASN A 103 -13.638 -10.054 8.572 1.00 22.20 H new ATOM 0 HD22 ASN A 103 -12.126 -10.742 7.972 1.00 22.20 H new ATOM 1580 N VAL A 104 -9.031 -7.134 8.649 1.00 15.45 N ATOM 1581 CA VAL A 104 -9.161 -5.953 7.811 1.00 52.00 C ATOM 1582 C VAL A 104 -9.879 -6.308 6.516 1.00 15.42 C ATOM 1583 O VAL A 104 -9.365 -7.078 5.701 1.00 0.44 O ATOM 1584 CB VAL A 104 -7.785 -5.332 7.481 1.00 13.41 C ATOM 1585 CG1 VAL A 104 -7.946 -4.064 6.650 1.00 42.00 C ATOM 1586 CG2 VAL A 104 -7.010 -5.041 8.760 1.00 70.45 C ATOM 0 H VAL A 104 -8.219 -7.713 8.436 1.00 15.45 H new ATOM 0 HA VAL A 104 -9.742 -5.218 8.368 1.00 52.00 H new ATOM 0 HB VAL A 104 -7.219 -6.053 6.891 1.00 13.41 H new ATOM 0 HG11 VAL A 104 -6.964 -3.646 6.431 1.00 42.00 H new ATOM 0 HG12 VAL A 104 -8.455 -4.303 5.716 1.00 42.00 H new ATOM 0 HG13 VAL A 104 -8.534 -3.336 7.208 1.00 42.00 H new ATOM 0 HG21 VAL A 104 -6.044 -4.604 8.508 1.00 70.45 H new ATOM 0 HG22 VAL A 104 -7.575 -4.342 9.377 1.00 70.45 H new ATOM 0 HG23 VAL A 104 -6.856 -5.969 9.311 1.00 70.45 H new ATOM 1596 N GLN A 105 -11.077 -5.770 6.346 1.00 73.05 N ATOM 1597 CA GLN A 105 -11.872 -6.027 5.154 1.00 33.31 C ATOM 1598 C GLN A 105 -11.886 -4.803 4.247 1.00 42.43 C ATOM 1599 O GLN A 105 -12.041 -3.678 4.721 1.00 21.02 O ATOM 1600 CB GLN A 105 -13.312 -6.391 5.535 1.00 62.25 C ATOM 1601 CG GLN A 105 -13.428 -7.582 6.474 1.00 35.31 C ATOM 1602 CD GLN A 105 -14.868 -7.919 6.818 1.00 61.13 C ATOM 1603 OE1 GLN A 105 -15.205 -9.075 7.079 1.00 21.34 O ATOM 1604 NE2 GLN A 105 -15.729 -6.912 6.831 1.00 1.30 N ATOM 0 H GLN A 105 -11.522 -5.149 7.022 1.00 73.05 H new ATOM 0 HA GLN A 105 -11.419 -6.864 4.622 1.00 33.31 H new ATOM 0 HB2 GLN A 105 -13.781 -5.526 6.004 1.00 62.25 H new ATOM 0 HB3 GLN A 105 -13.874 -6.604 4.625 1.00 62.25 H new ATOM 0 HG2 GLN A 105 -12.956 -8.450 6.013 1.00 35.31 H new ATOM 0 HG3 GLN A 105 -12.879 -7.371 7.392 1.00 35.31 H new ATOM 0 HE21 GLN A 105 -15.413 -5.968 6.609 1.00 1.30 H new ATOM 0 HE22 GLN A 105 -16.708 -7.081 7.063 1.00 1.30 H new ATOM 1613 N ILE A 106 -11.708 -5.019 2.950 1.00 22.21 N ATOM 1614 CA ILE A 106 -11.829 -3.946 1.972 1.00 13.34 C ATOM 1615 C ILE A 106 -13.051 -4.196 1.098 1.00 11.23 C ATOM 1616 O ILE A 106 -13.444 -5.342 0.886 1.00 62.53 O ATOM 1617 CB ILE A 106 -10.570 -3.789 1.072 1.00 0.34 C ATOM 1618 CG1 ILE A 106 -10.514 -4.847 -0.044 1.00 53.43 C ATOM 1619 CG2 ILE A 106 -9.302 -3.845 1.911 1.00 33.43 C ATOM 1620 CD1 ILE A 106 -10.242 -6.259 0.429 1.00 3.41 C ATOM 0 H ILE A 106 -11.479 -5.929 2.551 1.00 22.21 H new ATOM 0 HA ILE A 106 -11.934 -3.016 2.531 1.00 13.34 H new ATOM 0 HB ILE A 106 -10.642 -2.812 0.593 1.00 0.34 H new ATOM 0 HG12 ILE A 106 -11.461 -4.836 -0.583 1.00 53.43 H new ATOM 0 HG13 ILE A 106 -9.739 -4.562 -0.756 1.00 53.43 H new ATOM 0 HG21 ILE A 106 -8.432 -3.733 1.264 1.00 33.43 H new ATOM 0 HG22 ILE A 106 -9.315 -3.038 2.644 1.00 33.43 H new ATOM 0 HG23 ILE A 106 -9.249 -4.804 2.427 1.00 33.43 H new ATOM 0 HD11 ILE A 106 -10.221 -6.932 -0.428 1.00 3.41 H new ATOM 0 HD12 ILE A 106 -9.280 -6.292 0.940 1.00 3.41 H new ATOM 0 HD13 ILE A 106 -11.029 -6.571 1.116 1.00 3.41 H new ATOM 1632 N SER A 107 -13.659 -3.135 0.611 1.00 41.41 N ATOM 1633 CA SER A 107 -14.849 -3.262 -0.209 1.00 53.33 C ATOM 1634 C SER A 107 -14.484 -3.403 -1.683 1.00 0.12 C ATOM 1635 O SER A 107 -14.139 -2.424 -2.346 1.00 15.10 O ATOM 1636 CB SER A 107 -15.754 -2.051 0.000 1.00 74.21 C ATOM 1637 OG SER A 107 -16.047 -1.874 1.379 1.00 65.10 O ATOM 0 H SER A 107 -13.351 -2.175 0.767 1.00 41.41 H new ATOM 0 HA SER A 107 -15.382 -4.163 0.093 1.00 53.33 H new ATOM 0 HB2 SER A 107 -15.269 -1.157 -0.391 1.00 74.21 H new ATOM 0 HB3 SER A 107 -16.680 -2.182 -0.560 1.00 74.21 H new ATOM 0 HG SER A 107 -15.242 -1.568 1.848 1.00 65.10 H new ATOM 1643 N ILE A 108 -14.541 -4.626 -2.185 1.00 74.31 N ATOM 1644 CA ILE A 108 -14.281 -4.878 -3.592 1.00 52.14 C ATOM 1645 C ILE A 108 -15.595 -4.910 -4.358 1.00 3.23 C ATOM 1646 O ILE A 108 -16.300 -5.918 -4.374 1.00 1.21 O ATOM 1647 CB ILE A 108 -13.504 -6.197 -3.813 1.00 62.54 C ATOM 1648 CG1 ILE A 108 -12.140 -6.143 -3.114 1.00 62.33 C ATOM 1649 CG2 ILE A 108 -13.324 -6.479 -5.300 1.00 12.33 C ATOM 1650 CD1 ILE A 108 -11.238 -5.027 -3.610 1.00 1.53 C ATOM 0 H ILE A 108 -14.765 -5.458 -1.640 1.00 74.31 H new ATOM 0 HA ILE A 108 -13.655 -4.067 -3.965 1.00 52.14 H new ATOM 0 HB ILE A 108 -14.087 -7.009 -3.378 1.00 62.54 H new ATOM 0 HG12 ILE A 108 -12.297 -6.021 -2.042 1.00 62.33 H new ATOM 0 HG13 ILE A 108 -11.632 -7.097 -3.255 1.00 62.33 H new ATOM 0 HG21 ILE A 108 -12.775 -7.412 -5.430 1.00 12.33 H new ATOM 0 HG22 ILE A 108 -14.301 -6.564 -5.775 1.00 12.33 H new ATOM 0 HG23 ILE A 108 -12.767 -5.663 -5.760 1.00 12.33 H new ATOM 0 HD11 ILE A 108 -10.293 -5.055 -3.068 1.00 1.53 H new ATOM 0 HD12 ILE A 108 -11.049 -5.158 -4.675 1.00 1.53 H new ATOM 0 HD13 ILE A 108 -11.724 -4.065 -3.443 1.00 1.53 H new ATOM 1662 N ALA A 109 -15.937 -3.780 -4.950 1.00 1.21 N ATOM 1663 CA ALA A 109 -17.169 -3.657 -5.707 1.00 31.13 C ATOM 1664 C ALA A 109 -16.958 -4.090 -7.151 1.00 24.30 C ATOM 1665 O ALA A 109 -15.834 -4.071 -7.655 1.00 74.14 O ATOM 1666 CB ALA A 109 -17.674 -2.226 -5.652 1.00 42.32 C ATOM 0 H ALA A 109 -15.375 -2.930 -4.920 1.00 1.21 H new ATOM 0 HA ALA A 109 -17.917 -4.312 -5.261 1.00 31.13 H new ATOM 0 HB1 ALA A 109 -18.599 -2.144 -6.223 1.00 42.32 H new ATOM 0 HB2 ALA A 109 -17.862 -1.946 -4.615 1.00 42.32 H new ATOM 0 HB3 ALA A 109 -16.924 -1.559 -6.078 1.00 42.32 H new ATOM 1672 N ASP A 110 -18.040 -4.473 -7.812 1.00 15.23 N ATOM 1673 CA ASP A 110 -17.969 -4.898 -9.202 1.00 42.23 C ATOM 1674 C ASP A 110 -17.867 -3.699 -10.127 1.00 21.22 C ATOM 1675 O ASP A 110 -18.436 -2.637 -9.860 1.00 53.31 O ATOM 1676 CB ASP A 110 -19.181 -5.751 -9.586 1.00 13.43 C ATOM 1677 CG ASP A 110 -19.042 -7.187 -9.129 1.00 22.34 C ATOM 1678 OD1 ASP A 110 -18.265 -7.939 -9.754 1.00 10.50 O ATOM 1679 OD2 ASP A 110 -19.719 -7.577 -8.151 1.00 63.15 O ATOM 0 H ASP A 110 -18.977 -4.498 -7.409 1.00 15.23 H new ATOM 0 HA ASP A 110 -17.072 -5.507 -9.312 1.00 42.23 H new ATOM 0 HB2 ASP A 110 -20.080 -5.318 -9.148 1.00 13.43 H new ATOM 0 HB3 ASP A 110 -19.311 -5.728 -10.668 1.00 13.43 H new ATOM 1684 N SER A 111 -17.123 -3.869 -11.205 1.00 41.02 N ATOM 1685 CA SER A 111 -16.925 -2.810 -12.179 1.00 33.32 C ATOM 1686 C SER A 111 -16.696 -3.412 -13.560 1.00 23.51 C ATOM 1687 O SER A 111 -17.643 -3.590 -14.328 1.00 34.31 O ATOM 1688 CB SER A 111 -15.744 -1.919 -11.778 1.00 50.40 C ATOM 1689 OG SER A 111 -15.914 -1.410 -10.464 1.00 75.22 O ATOM 0 H SER A 111 -16.641 -4.740 -11.430 1.00 41.02 H new ATOM 0 HA SER A 111 -17.821 -2.190 -12.209 1.00 33.32 H new ATOM 0 HB2 SER A 111 -14.817 -2.490 -11.833 1.00 50.40 H new ATOM 0 HB3 SER A 111 -15.651 -1.093 -12.483 1.00 50.40 H new ATOM 0 HG SER A 111 -15.148 -0.846 -10.230 1.00 75.22 H new ATOM 1695 N ASP A 112 -15.444 -3.750 -13.848 1.00 10.43 N ATOM 1696 CA ASP A 112 -15.068 -4.391 -15.096 1.00 51.11 C ATOM 1697 C ASP A 112 -13.574 -4.687 -15.043 1.00 23.54 C ATOM 1698 O ASP A 112 -13.038 -4.953 -13.966 1.00 12.01 O ATOM 1699 CB ASP A 112 -15.398 -3.491 -16.296 1.00 44.34 C ATOM 1700 CG ASP A 112 -15.518 -4.276 -17.588 1.00 31.42 C ATOM 1701 OD1 ASP A 112 -16.621 -4.772 -17.884 1.00 53.41 O ATOM 1702 OD2 ASP A 112 -14.507 -4.409 -18.308 1.00 1.42 O ATOM 0 H ASP A 112 -14.660 -3.585 -13.217 1.00 10.43 H new ATOM 0 HA ASP A 112 -15.631 -5.316 -15.221 1.00 51.11 H new ATOM 0 HB2 ASP A 112 -16.333 -2.964 -16.106 1.00 44.34 H new ATOM 0 HB3 ASP A 112 -14.621 -2.734 -16.404 1.00 44.34 H new ATOM 1707 N VAL A 113 -12.917 -4.620 -16.192 1.00 43.34 N ATOM 1708 CA VAL A 113 -11.485 -4.843 -16.305 1.00 62.41 C ATOM 1709 C VAL A 113 -11.091 -6.185 -15.688 1.00 24.41 C ATOM 1710 O VAL A 113 -10.294 -6.267 -14.751 1.00 30.32 O ATOM 1711 CB VAL A 113 -10.708 -3.704 -15.638 1.00 3.40 C ATOM 1712 CG1 VAL A 113 -9.211 -3.814 -15.904 1.00 41.22 C ATOM 1713 CG2 VAL A 113 -11.233 -2.349 -16.097 1.00 15.15 C ATOM 0 H VAL A 113 -13.369 -4.407 -17.081 1.00 43.34 H new ATOM 0 HA VAL A 113 -11.231 -4.865 -17.365 1.00 62.41 H new ATOM 0 HB VAL A 113 -10.862 -3.791 -14.562 1.00 3.40 H new ATOM 0 HG11 VAL A 113 -8.693 -2.989 -15.415 1.00 41.22 H new ATOM 0 HG12 VAL A 113 -8.840 -4.760 -15.510 1.00 41.22 H new ATOM 0 HG13 VAL A 113 -9.028 -3.772 -16.978 1.00 41.22 H new ATOM 0 HG21 VAL A 113 -10.666 -1.555 -15.610 1.00 15.15 H new ATOM 0 HG22 VAL A 113 -11.123 -2.263 -17.178 1.00 15.15 H new ATOM 0 HG23 VAL A 113 -12.286 -2.258 -15.831 1.00 15.15 H new ATOM 1723 N ALA A 114 -11.690 -7.232 -16.204 1.00 51.54 N ATOM 1724 CA ALA A 114 -11.374 -8.581 -15.771 1.00 60.15 C ATOM 1725 C ALA A 114 -10.021 -9.010 -16.327 1.00 43.02 C ATOM 1726 O ALA A 114 -9.938 -9.640 -17.383 1.00 34.03 O ATOM 1727 CB ALA A 114 -12.463 -9.553 -16.201 1.00 43.34 C ATOM 0 H ALA A 114 -12.405 -7.179 -16.930 1.00 51.54 H new ATOM 0 HA ALA A 114 -11.321 -8.592 -14.682 1.00 60.15 H new ATOM 0 HB1 ALA A 114 -12.206 -10.558 -15.866 1.00 43.34 H new ATOM 0 HB2 ALA A 114 -13.413 -9.254 -15.758 1.00 43.34 H new ATOM 0 HB3 ALA A 114 -12.551 -9.544 -17.287 1.00 43.34 H new ATOM 1733 N VAL A 115 -8.959 -8.621 -15.636 1.00 22.03 N ATOM 1734 CA VAL A 115 -7.609 -8.947 -16.052 1.00 2.01 C ATOM 1735 C VAL A 115 -6.914 -9.824 -15.017 1.00 70.12 C ATOM 1736 O VAL A 115 -7.394 -9.982 -13.894 1.00 11.30 O ATOM 1737 CB VAL A 115 -6.766 -7.672 -16.278 1.00 3.24 C ATOM 1738 CG1 VAL A 115 -7.306 -6.868 -17.452 1.00 42.11 C ATOM 1739 CG2 VAL A 115 -6.730 -6.819 -15.015 1.00 61.43 C ATOM 0 H VAL A 115 -9.011 -8.074 -14.777 1.00 22.03 H new ATOM 0 HA VAL A 115 -7.690 -9.492 -16.993 1.00 2.01 H new ATOM 0 HB VAL A 115 -5.747 -7.977 -16.514 1.00 3.24 H new ATOM 0 HG11 VAL A 115 -6.697 -5.975 -17.592 1.00 42.11 H new ATOM 0 HG12 VAL A 115 -7.272 -7.476 -18.356 1.00 42.11 H new ATOM 0 HG13 VAL A 115 -8.337 -6.576 -17.250 1.00 42.11 H new ATOM 0 HG21 VAL A 115 -6.131 -5.926 -15.196 1.00 61.43 H new ATOM 0 HG22 VAL A 115 -7.745 -6.527 -14.744 1.00 61.43 H new ATOM 0 HG23 VAL A 115 -6.288 -7.393 -14.201 1.00 61.43 H new ATOM 1749 N ASP A 116 -5.787 -10.393 -15.405 1.00 72.15 N ATOM 1750 CA ASP A 116 -4.972 -11.189 -14.497 1.00 4.04 C ATOM 1751 C ASP A 116 -3.557 -10.631 -14.456 1.00 1.41 C ATOM 1752 O ASP A 116 -2.824 -10.702 -15.445 1.00 65.31 O ATOM 1753 CB ASP A 116 -4.957 -12.660 -14.933 1.00 11.15 C ATOM 1754 CG ASP A 116 -4.013 -13.510 -14.102 1.00 33.10 C ATOM 1755 OD1 ASP A 116 -4.215 -13.606 -12.868 1.00 54.22 O ATOM 1756 OD2 ASP A 116 -3.075 -14.101 -14.683 1.00 35.15 O ATOM 0 H ASP A 116 -5.411 -10.319 -16.350 1.00 72.15 H new ATOM 0 HA ASP A 116 -5.404 -11.137 -13.497 1.00 4.04 H new ATOM 0 HB2 ASP A 116 -5.966 -13.067 -14.859 1.00 11.15 H new ATOM 0 HB3 ASP A 116 -4.665 -12.721 -15.982 1.00 11.15 H new ATOM 1761 N ASN A 117 -3.191 -10.042 -13.328 1.00 65.31 N ATOM 1762 CA ASN A 117 -1.868 -9.456 -13.161 1.00 41.20 C ATOM 1763 C ASN A 117 -1.484 -9.462 -11.691 1.00 61.03 C ATOM 1764 O ASN A 117 -2.357 -9.541 -10.825 1.00 70.22 O ATOM 1765 CB ASN A 117 -1.829 -8.021 -13.708 1.00 41.54 C ATOM 1766 CG ASN A 117 -2.572 -7.026 -12.830 1.00 60.11 C ATOM 1767 OD1 ASN A 117 -1.990 -6.418 -11.926 1.00 51.41 O ATOM 1768 ND2 ASN A 117 -3.855 -6.840 -13.096 1.00 61.24 N ATOM 0 H ASN A 117 -3.794 -9.956 -12.510 1.00 65.31 H new ATOM 0 HA ASN A 117 -1.153 -10.055 -13.725 1.00 41.20 H new ATOM 0 HB2 ASN A 117 -0.791 -7.704 -13.807 1.00 41.54 H new ATOM 0 HB3 ASN A 117 -2.262 -8.008 -14.708 1.00 41.54 H new ATOM 0 HD21 ASN A 117 -4.399 -6.175 -12.546 1.00 61.24 H new ATOM 0 HD22 ASN A 117 -4.300 -7.361 -13.851 1.00 61.24 H new ATOM 1775 N SER A 118 -0.182 -9.378 -11.428 1.00 1.33 N ATOM 1776 CA SER A 118 0.353 -9.367 -10.068 1.00 21.22 C ATOM 1777 C SER A 118 0.102 -10.700 -9.356 1.00 1.21 C ATOM 1778 O SER A 118 -0.971 -10.933 -8.794 1.00 34.21 O ATOM 1779 CB SER A 118 -0.240 -8.202 -9.268 1.00 20.23 C ATOM 1780 OG SER A 118 -0.077 -6.971 -9.964 1.00 51.03 O ATOM 0 H SER A 118 0.533 -9.316 -12.153 1.00 1.33 H new ATOM 0 HA SER A 118 1.432 -9.229 -10.134 1.00 21.22 H new ATOM 0 HB2 SER A 118 -1.299 -8.383 -9.085 1.00 20.23 H new ATOM 0 HB3 SER A 118 0.245 -8.140 -8.294 1.00 20.23 H new ATOM 0 HG SER A 118 -0.783 -6.880 -10.638 1.00 51.03 H new ATOM 1786 N GLN A 119 1.111 -11.570 -9.403 1.00 43.44 N ATOM 1787 CA GLN A 119 1.057 -12.895 -8.780 1.00 64.42 C ATOM 1788 C GLN A 119 -0.059 -13.757 -9.377 1.00 70.42 C ATOM 1789 O GLN A 119 -1.132 -13.901 -8.786 1.00 3.10 O ATOM 1790 CB GLN A 119 0.884 -12.791 -7.262 1.00 2.02 C ATOM 1791 CG GLN A 119 2.030 -12.080 -6.562 1.00 50.34 C ATOM 1792 CD GLN A 119 1.877 -12.083 -5.055 1.00 54.55 C ATOM 1793 OE1 GLN A 119 1.279 -11.177 -4.471 1.00 53.33 O ATOM 1794 NE2 GLN A 119 2.417 -13.105 -4.413 1.00 73.00 N ATOM 0 H GLN A 119 1.993 -11.376 -9.876 1.00 43.44 H new ATOM 0 HA GLN A 119 2.011 -13.380 -8.989 1.00 64.42 H new ATOM 0 HB2 GLN A 119 -0.045 -12.263 -7.047 1.00 2.02 H new ATOM 0 HB3 GLN A 119 0.784 -13.794 -6.847 1.00 2.02 H new ATOM 0 HG2 GLN A 119 2.970 -12.561 -6.830 1.00 50.34 H new ATOM 0 HG3 GLN A 119 2.086 -11.051 -6.917 1.00 50.34 H new ATOM 0 HE21 GLN A 119 2.904 -13.835 -4.934 1.00 73.00 H new ATOM 0 HE22 GLN A 119 2.347 -13.164 -3.397 1.00 73.00 H new ATOM 1803 N PRO A 120 0.180 -14.330 -10.565 1.00 62.10 N ATOM 1804 CA PRO A 120 -0.795 -15.196 -11.231 1.00 53.34 C ATOM 1805 C PRO A 120 -0.877 -16.572 -10.577 1.00 74.23 C ATOM 1806 O PRO A 120 0.087 -17.039 -9.965 1.00 52.11 O ATOM 1807 CB PRO A 120 -0.250 -15.302 -12.655 1.00 32.41 C ATOM 1808 CG PRO A 120 1.220 -15.116 -12.512 1.00 44.42 C ATOM 1809 CD PRO A 120 1.411 -14.170 -11.357 1.00 52.54 C ATOM 0 HA PRO A 120 -1.809 -14.799 -11.181 1.00 53.34 H new ATOM 0 HB2 PRO A 120 -0.485 -16.270 -13.098 1.00 32.41 H new ATOM 0 HB3 PRO A 120 -0.684 -14.541 -13.303 1.00 32.41 H new ATOM 0 HG2 PRO A 120 1.717 -16.068 -12.322 1.00 44.42 H new ATOM 0 HG3 PRO A 120 1.652 -14.708 -13.426 1.00 44.42 H new ATOM 0 HD2 PRO A 120 2.297 -14.423 -10.775 1.00 52.54 H new ATOM 0 HD3 PRO A 120 1.537 -13.142 -11.698 1.00 52.54 H new ATOM 1817 N LEU A 121 -2.027 -17.220 -10.696 1.00 54.34 N ATOM 1818 CA LEU A 121 -2.225 -18.517 -10.068 1.00 55.41 C ATOM 1819 C LEU A 121 -2.583 -19.591 -11.093 1.00 45.24 C ATOM 1820 O LEU A 121 -3.751 -19.762 -11.444 1.00 64.01 O ATOM 1821 CB LEU A 121 -3.320 -18.436 -9.003 1.00 42.34 C ATOM 1822 CG LEU A 121 -3.058 -17.447 -7.863 1.00 51.34 C ATOM 1823 CD1 LEU A 121 -4.218 -17.459 -6.881 1.00 53.22 C ATOM 1824 CD2 LEU A 121 -1.753 -17.772 -7.148 1.00 61.31 C ATOM 0 H LEU A 121 -2.831 -16.872 -11.218 1.00 54.34 H new ATOM 0 HA LEU A 121 -1.282 -18.796 -9.597 1.00 55.41 H new ATOM 0 HB2 LEU A 121 -4.256 -18.163 -9.489 1.00 42.34 H new ATOM 0 HB3 LEU A 121 -3.461 -19.428 -8.575 1.00 42.34 H new ATOM 0 HG LEU A 121 -2.969 -16.448 -8.291 1.00 51.34 H new ATOM 0 HD11 LEU A 121 -4.020 -16.752 -6.075 1.00 53.22 H new ATOM 0 HD12 LEU A 121 -5.135 -17.174 -7.397 1.00 53.22 H new ATOM 0 HD13 LEU A 121 -4.332 -18.460 -6.465 1.00 53.22 H new ATOM 0 HD21 LEU A 121 -1.591 -17.055 -6.343 1.00 61.31 H new ATOM 0 HD22 LEU A 121 -1.807 -18.778 -6.732 1.00 61.31 H new ATOM 0 HD23 LEU A 121 -0.926 -17.716 -7.856 1.00 61.31 H new ATOM 1836 N PRO A 122 -1.574 -20.310 -11.610 1.00 21.10 N ATOM 1837 CA PRO A 122 -1.799 -21.470 -12.471 1.00 72.13 C ATOM 1838 C PRO A 122 -2.228 -22.691 -11.662 1.00 52.21 C ATOM 1839 O PRO A 122 -2.275 -22.646 -10.428 1.00 13.21 O ATOM 1840 CB PRO A 122 -0.430 -21.698 -13.113 1.00 13.15 C ATOM 1841 CG PRO A 122 0.542 -21.185 -12.110 1.00 52.51 C ATOM 1842 CD PRO A 122 -0.137 -20.031 -11.422 1.00 73.20 C ATOM 0 HA PRO A 122 -2.596 -21.308 -13.197 1.00 72.13 H new ATOM 0 HB2 PRO A 122 -0.262 -22.754 -13.325 1.00 13.15 H new ATOM 0 HB3 PRO A 122 -0.342 -21.165 -14.060 1.00 13.15 H new ATOM 0 HG2 PRO A 122 0.810 -21.962 -11.394 1.00 52.51 H new ATOM 0 HG3 PRO A 122 1.465 -20.863 -12.592 1.00 52.51 H new ATOM 0 HD2 PRO A 122 0.127 -19.983 -10.366 1.00 73.20 H new ATOM 0 HD3 PRO A 122 0.147 -19.077 -11.865 1.00 73.20 H new ATOM 1850 N LEU A 123 -2.546 -23.777 -12.352 1.00 14.23 N ATOM 1851 CA LEU A 123 -2.970 -25.004 -11.688 1.00 55.33 C ATOM 1852 C LEU A 123 -1.822 -25.620 -10.898 1.00 42.22 C ATOM 1853 O LEU A 123 -1.959 -25.922 -9.713 1.00 12.34 O ATOM 1854 CB LEU A 123 -3.495 -26.016 -12.710 1.00 2.42 C ATOM 1855 CG LEU A 123 -3.949 -27.354 -12.119 1.00 31.44 C ATOM 1856 CD1 LEU A 123 -5.135 -27.157 -11.184 1.00 50.13 C ATOM 1857 CD2 LEU A 123 -4.296 -28.333 -13.231 1.00 43.33 C ATOM 0 H LEU A 123 -2.519 -23.835 -13.370 1.00 14.23 H new ATOM 0 HA LEU A 123 -3.773 -24.748 -10.996 1.00 55.33 H new ATOM 0 HB2 LEU A 123 -4.333 -25.569 -13.245 1.00 2.42 H new ATOM 0 HB3 LEU A 123 -2.713 -26.207 -13.445 1.00 2.42 H new ATOM 0 HG LEU A 123 -3.127 -27.770 -11.537 1.00 31.44 H new ATOM 0 HD11 LEU A 123 -5.441 -28.120 -10.776 1.00 50.13 H new ATOM 0 HD12 LEU A 123 -4.849 -26.492 -10.369 1.00 50.13 H new ATOM 0 HD13 LEU A 123 -5.965 -26.717 -11.737 1.00 50.13 H new ATOM 0 HD21 LEU A 123 -4.617 -29.279 -12.796 1.00 43.33 H new ATOM 0 HD22 LEU A 123 -5.101 -27.922 -13.839 1.00 43.33 H new ATOM 0 HD23 LEU A 123 -3.418 -28.500 -13.856 1.00 43.33 H new ATOM 1869 N GLU A 124 -0.688 -25.789 -11.556 1.00 45.34 N ATOM 1870 CA GLU A 124 0.451 -26.452 -10.946 1.00 13.52 C ATOM 1871 C GLU A 124 1.371 -25.457 -10.244 1.00 45.40 C ATOM 1872 O GLU A 124 1.649 -24.372 -10.758 1.00 51.41 O ATOM 1873 CB GLU A 124 1.229 -27.241 -12.003 1.00 72.54 C ATOM 1874 CG GLU A 124 1.572 -26.430 -13.242 1.00 74.14 C ATOM 1875 CD GLU A 124 2.413 -27.211 -14.228 1.00 63.15 C ATOM 1876 OE1 GLU A 124 1.862 -28.091 -14.920 1.00 71.32 O ATOM 1877 OE2 GLU A 124 3.631 -26.949 -14.313 1.00 10.54 O ATOM 0 H GLU A 124 -0.532 -25.476 -12.514 1.00 45.34 H new ATOM 0 HA GLU A 124 0.072 -27.141 -10.191 1.00 13.52 H new ATOM 0 HB2 GLU A 124 2.151 -27.616 -11.558 1.00 72.54 H new ATOM 0 HB3 GLU A 124 0.642 -28.110 -12.300 1.00 72.54 H new ATOM 0 HG2 GLU A 124 0.651 -26.108 -13.729 1.00 74.14 H new ATOM 0 HG3 GLU A 124 2.108 -25.528 -12.946 1.00 74.14 H new ATOM 1884 N HIS A 125 1.812 -25.831 -9.053 1.00 54.12 N ATOM 1885 CA HIS A 125 2.810 -25.068 -8.314 1.00 31.31 C ATOM 1886 C HIS A 125 3.819 -26.028 -7.717 1.00 35.23 C ATOM 1887 O HIS A 125 3.445 -26.937 -6.976 1.00 34.24 O ATOM 1888 CB HIS A 125 2.182 -24.243 -7.182 1.00 61.32 C ATOM 1889 CG HIS A 125 1.294 -23.128 -7.634 1.00 12.24 C ATOM 1890 ND1 HIS A 125 1.759 -21.865 -7.914 1.00 1.34 N ATOM 1891 CD2 HIS A 125 -0.044 -23.081 -7.811 1.00 3.40 C ATOM 1892 CE1 HIS A 125 0.744 -21.088 -8.236 1.00 71.44 C ATOM 1893 NE2 HIS A 125 -0.366 -21.801 -8.183 1.00 43.03 N ATOM 0 H HIS A 125 1.490 -26.670 -8.571 1.00 54.12 H new ATOM 0 HA HIS A 125 3.287 -24.378 -9.010 1.00 31.31 H new ATOM 0 HB2 HIS A 125 1.605 -24.911 -6.542 1.00 61.32 H new ATOM 0 HB3 HIS A 125 2.981 -23.826 -6.569 1.00 61.32 H new ATOM 0 HD2 HIS A 125 -0.734 -23.902 -7.683 1.00 3.40 H new ATOM 0 HE1 HIS A 125 0.809 -20.043 -8.499 1.00 71.44 H new ATOM 0 HE2 HIS A 125 -1.305 -21.458 -8.385 1.00 43.03 H new ATOM 1902 N HIS A 126 5.089 -25.844 -8.044 1.00 15.12 N ATOM 1903 CA HIS A 126 6.130 -26.724 -7.529 1.00 13.14 C ATOM 1904 C HIS A 126 6.451 -26.391 -6.072 1.00 72.24 C ATOM 1905 O HIS A 126 7.491 -25.805 -5.764 1.00 14.24 O ATOM 1906 CB HIS A 126 7.396 -26.644 -8.391 1.00 52.24 C ATOM 1907 CG HIS A 126 8.348 -27.784 -8.176 1.00 2.30 C ATOM 1908 ND1 HIS A 126 9.584 -27.850 -8.775 1.00 71.31 N ATOM 1909 CD2 HIS A 126 8.231 -28.918 -7.439 1.00 23.33 C ATOM 1910 CE1 HIS A 126 10.186 -28.969 -8.419 1.00 51.21 C ATOM 1911 NE2 HIS A 126 9.387 -29.634 -7.608 1.00 65.41 N ATOM 0 H HIS A 126 5.423 -25.101 -8.658 1.00 15.12 H new ATOM 0 HA HIS A 126 5.754 -27.746 -7.573 1.00 13.14 H new ATOM 0 HB2 HIS A 126 7.108 -26.617 -9.442 1.00 52.24 H new ATOM 0 HB3 HIS A 126 7.911 -25.707 -8.177 1.00 52.24 H new ATOM 0 HD2 HIS A 126 7.384 -29.203 -6.832 1.00 23.33 H new ATOM 0 HE1 HIS A 126 11.168 -29.287 -8.738 1.00 51.21 H new ATOM 0 HE2 HIS A 126 9.595 -30.535 -7.177 1.00 65.41 H new ATOM 1920 N HIS A 127 5.525 -26.734 -5.190 1.00 50.25 N ATOM 1921 CA HIS A 127 5.742 -26.620 -3.757 1.00 21.30 C ATOM 1922 C HIS A 127 6.021 -27.998 -3.189 1.00 53.22 C ATOM 1923 O HIS A 127 5.597 -29.004 -3.759 1.00 75.33 O ATOM 1924 CB HIS A 127 4.524 -26.009 -3.051 1.00 71.34 C ATOM 1925 CG HIS A 127 4.414 -24.519 -3.185 1.00 43.03 C ATOM 1926 ND1 HIS A 127 3.423 -23.780 -2.574 1.00 50.42 N ATOM 1927 CD2 HIS A 127 5.179 -23.627 -3.854 1.00 2.24 C ATOM 1928 CE1 HIS A 127 3.585 -22.504 -2.863 1.00 50.41 C ATOM 1929 NE2 HIS A 127 4.647 -22.381 -3.637 1.00 24.15 N ATOM 0 H HIS A 127 4.607 -27.097 -5.446 1.00 50.25 H new ATOM 0 HA HIS A 127 6.593 -25.960 -3.588 1.00 21.30 H new ATOM 0 HB2 HIS A 127 3.619 -26.466 -3.453 1.00 71.34 H new ATOM 0 HB3 HIS A 127 4.567 -26.264 -1.992 1.00 71.34 H new ATOM 0 HD2 HIS A 127 6.050 -23.854 -4.451 1.00 2.24 H new ATOM 0 HE1 HIS A 127 2.955 -21.695 -2.524 1.00 50.41 H new ATOM 0 HE2 HIS A 127 5.012 -21.505 -4.012 1.00 24.15 H new ATOM 1938 N HIS A 128 6.737 -28.049 -2.082 1.00 23.22 N ATOM 1939 CA HIS A 128 7.061 -29.317 -1.455 1.00 23.05 C ATOM 1940 C HIS A 128 7.092 -29.174 0.061 1.00 75.40 C ATOM 1941 O HIS A 128 7.940 -28.477 0.621 1.00 32.34 O ATOM 1942 CB HIS A 128 8.401 -29.841 -1.974 1.00 51.43 C ATOM 1943 CG HIS A 128 8.751 -31.205 -1.466 1.00 71.23 C ATOM 1944 ND1 HIS A 128 9.878 -31.461 -0.720 1.00 14.50 N ATOM 1945 CD2 HIS A 128 8.116 -32.394 -1.606 1.00 22.03 C ATOM 1946 CE1 HIS A 128 9.923 -32.745 -0.420 1.00 72.32 C ATOM 1947 NE2 HIS A 128 8.867 -33.330 -0.945 1.00 72.13 N ATOM 0 H HIS A 128 7.105 -27.229 -1.599 1.00 23.22 H new ATOM 0 HA HIS A 128 6.285 -30.038 -1.713 1.00 23.05 H new ATOM 0 HB2 HIS A 128 8.375 -29.864 -3.063 1.00 51.43 H new ATOM 0 HB3 HIS A 128 9.189 -29.144 -1.689 1.00 51.43 H new ATOM 0 HD2 HIS A 128 7.193 -32.570 -2.138 1.00 22.03 H new ATOM 0 HE1 HIS A 128 10.694 -33.233 0.158 1.00 72.32 H new ATOM 0 HE2 HIS A 128 8.643 -34.322 -0.871 1.00 72.13 H new ATOM 1956 N HIS A 129 6.152 -29.834 0.711 1.00 44.03 N ATOM 1957 CA HIS A 129 6.054 -29.811 2.158 1.00 11.13 C ATOM 1958 C HIS A 129 6.943 -30.899 2.749 1.00 70.14 C ATOM 1959 O HIS A 129 7.160 -31.940 2.127 1.00 12.14 O ATOM 1960 CB HIS A 129 4.597 -30.031 2.585 1.00 33.25 C ATOM 1961 CG HIS A 129 4.309 -29.697 4.022 1.00 20.42 C ATOM 1962 ND1 HIS A 129 4.414 -30.609 5.051 1.00 12.12 N ATOM 1963 CD2 HIS A 129 3.896 -28.540 4.593 1.00 43.13 C ATOM 1964 CE1 HIS A 129 4.074 -30.028 6.188 1.00 25.54 C ATOM 1965 NE2 HIS A 129 3.755 -28.771 5.940 1.00 13.05 N ATOM 0 H HIS A 129 5.437 -30.399 0.253 1.00 44.03 H new ATOM 0 HA HIS A 129 6.386 -28.840 2.527 1.00 11.13 H new ATOM 0 HB2 HIS A 129 3.950 -29.427 1.949 1.00 33.25 H new ATOM 0 HB3 HIS A 129 4.334 -31.074 2.408 1.00 33.25 H new ATOM 0 HD2 HIS A 129 3.711 -27.606 4.083 1.00 43.13 H new ATOM 0 HE1 HIS A 129 4.059 -30.502 7.158 1.00 25.54 H new ATOM 0 HE2 HIS A 129 3.454 -28.086 6.633 1.00 13.05 H new ATOM 1974 N HIS A 130 7.476 -30.653 3.931 1.00 14.21 N ATOM 1975 CA HIS A 130 8.239 -31.668 4.636 1.00 64.14 C ATOM 1976 C HIS A 130 7.335 -32.351 5.643 1.00 4.13 C ATOM 1977 O HIS A 130 6.879 -33.476 5.364 1.00 37.62 O ATOM 1978 CB HIS A 130 9.467 -31.073 5.336 1.00 23.01 C ATOM 1979 CG HIS A 130 10.502 -30.540 4.398 1.00 41.42 C ATOM 1980 ND1 HIS A 130 11.133 -31.319 3.452 1.00 22.41 N ATOM 1981 CD2 HIS A 130 11.023 -29.299 4.266 1.00 4.34 C ATOM 1982 CE1 HIS A 130 11.996 -30.580 2.782 1.00 33.31 C ATOM 1983 NE2 HIS A 130 11.948 -29.350 3.254 1.00 61.51 N ATOM 1984 OXT HIS A 130 7.033 -31.731 6.678 1.00 37.62 O ATOM 0 H HIS A 130 7.396 -29.763 4.422 1.00 14.21 H new ATOM 0 HA HIS A 130 8.605 -32.394 3.911 1.00 64.14 H new ATOM 0 HB2 HIS A 130 9.142 -30.270 5.997 1.00 23.01 H new ATOM 0 HB3 HIS A 130 9.921 -31.839 5.965 1.00 23.01 H new ATOM 0 HD2 HIS A 130 10.760 -28.429 4.849 1.00 4.34 H new ATOM 0 HE1 HIS A 130 12.634 -30.924 1.982 1.00 33.31 H new ATOM 0 HE2 HIS A 130 12.507 -28.565 2.921 1.00 61.51 H new TER 1993 HIS A 130