USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=24 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 117 ASN : amide:sc= 0.0672 K(o=1.2,f=0.37) USER MOD Set 1.2: A 118 SER OG : rot 79:sc= 1.15 USER MOD Set 2.1: A 101 ASN : amide:sc= 0.849 K(o=1.8,f=-2.1) USER MOD Set 2.2: A 103 ASN : amide:sc= 0.994 K(o=1.8,f=-1.8) USER MOD Set 3.1: A 73 LYS NZ :NH3+ 165:sc= 2.13 (180deg=0.498) USER MOD Set 3.2: A 90 TYR OH : rot 30:sc= 1.07 USER MOD Set 4.1: A 27 GLN : amide:sc= 2.09 K(o=3,f=-0.63) USER MOD Set 4.2: A 50 GLN : amide:sc= 0.939 K(o=3,f=1.2) USER MOD Set 5.1: A 38 GLN : amide:sc= 0.716 K(o=1.1,f=0.16) USER MOD Set 5.2: A 40 TYR OH : rot 180:sc= 0.335 USER MOD Set 6.1: A 26 GLN : amide:sc= 0.806 X(o=0.74,f=0.46) USER MOD Set 6.2: A 43 SER OG : rot 67:sc= -0.61 USER MOD Set 6.3: A 95 TYR OH : rot 90:sc= 0.545 USER MOD Set 7.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 6 THR OG1 : rot -67:sc= 0.84 USER MOD Set 7.3: A 98 GLN : amide:sc= -0.875 K(o=-0.031,f=0.75) USER MOD Set 7.4: A 105 GLN : amide:sc= 0.00422 K(o=-0.031,f=0.75) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.192 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 5 THR OG1 : rot -150:sc= -0.103 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.719 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -71:sc= 1.26 USER MOD Single : A 20 CYS SG : rot 35:sc= -3.14! USER MOD Single : A 25 GLN : amide:sc= 0.111 K(o=0.11,f=-3.7!) USER MOD Single : A 35 ASN : amide:sc= -0.256 K(o=-0.26,f=-2!) USER MOD Single : A 44 ASN : amide:sc= -3.23! C(o=-3.2!,f=-5.7!) USER MOD Single : A 52 SER OG : rot 53:sc= -1.77! USER MOD Single : A 55 SER OG : rot 150:sc= -0.0669 USER MOD Single : A 62 HIS : no HD1:sc=-0.00451 X(o=-0.0045,f=-0.0045) USER MOD Single : A 63 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.7) USER MOD Single : A 70 SER OG : rot 40:sc= -0.535 USER MOD Single : A 74 LYS NZ :NH3+ -168:sc=-0.00683 (180deg=-0.178) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 76 HIS : no HE2:sc= 1.05 K(o=1,f=-4.7!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -87:sc= 0.815 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -160:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 125 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 126 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.012) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.644 -7.150 6.420 1.00 13.10 N ATOM 2 CA MET A 1 -19.681 -7.742 5.464 1.00 41.50 C ATOM 3 C MET A 1 -20.413 -8.395 4.294 1.00 4.43 C ATOM 4 O MET A 1 -21.055 -9.435 4.450 1.00 1.50 O ATOM 5 CB MET A 1 -18.806 -8.780 6.173 1.00 13.15 C ATOM 6 CG MET A 1 -17.830 -9.496 5.253 1.00 61.03 C ATOM 7 SD MET A 1 -16.907 -10.792 6.100 1.00 33.43 S ATOM 8 CE MET A 1 -15.945 -11.459 4.744 1.00 51.14 C ATOM 0 H1 MET A 1 -20.126 -6.711 7.208 1.00 13.10 H new ATOM 0 H2 MET A 1 -21.214 -6.428 5.936 1.00 13.10 H new ATOM 0 H3 MET A 1 -21.269 -7.895 6.789 1.00 13.10 H new ATOM 0 HA MET A 1 -19.049 -6.943 5.076 1.00 41.50 H new ATOM 0 HB2 MET A 1 -18.246 -8.287 6.967 1.00 13.15 H new ATOM 0 HB3 MET A 1 -19.450 -9.519 6.649 1.00 13.15 H new ATOM 0 HG2 MET A 1 -18.377 -9.931 4.417 1.00 61.03 H new ATOM 0 HG3 MET A 1 -17.132 -8.771 4.835 1.00 61.03 H new ATOM 0 HE1 MET A 1 -15.319 -12.274 5.108 1.00 51.14 H new ATOM 0 HE2 MET A 1 -16.616 -11.834 3.972 1.00 51.14 H new ATOM 0 HE3 MET A 1 -15.313 -10.675 4.326 1.00 51.14 H new ATOM 20 N SER A 2 -20.327 -7.768 3.129 1.00 33.22 N ATOM 21 CA SER A 2 -20.929 -8.307 1.919 1.00 55.21 C ATOM 22 C SER A 2 -19.943 -8.229 0.754 1.00 51.32 C ATOM 23 O SER A 2 -19.374 -9.237 0.335 1.00 23.13 O ATOM 24 CB SER A 2 -22.209 -7.536 1.591 1.00 73.22 C ATOM 25 OG SER A 2 -21.978 -6.133 1.637 1.00 61.34 O ATOM 0 H SER A 2 -19.843 -6.880 2.997 1.00 33.22 H new ATOM 0 HA SER A 2 -21.181 -9.355 2.083 1.00 55.21 H new ATOM 0 HB2 SER A 2 -22.566 -7.818 0.600 1.00 73.22 H new ATOM 0 HB3 SER A 2 -22.992 -7.804 2.300 1.00 73.22 H new ATOM 0 HG SER A 2 -22.808 -5.658 1.423 1.00 61.34 H new ATOM 31 N GLN A 3 -19.726 -7.016 0.256 1.00 55.22 N ATOM 32 CA GLN A 3 -18.758 -6.778 -0.812 1.00 71.43 C ATOM 33 C GLN A 3 -17.387 -6.456 -0.222 1.00 53.32 C ATOM 34 O GLN A 3 -16.529 -5.869 -0.882 1.00 4.01 O ATOM 35 CB GLN A 3 -19.218 -5.627 -1.707 1.00 31.33 C ATOM 36 CG GLN A 3 -20.565 -5.863 -2.376 1.00 51.13 C ATOM 37 CD GLN A 3 -20.950 -4.731 -3.310 1.00 62.03 C ATOM 38 OE1 GLN A 3 -20.087 -4.075 -3.897 1.00 50.14 O ATOM 39 NE2 GLN A 3 -22.242 -4.490 -3.461 1.00 65.33 N ATOM 0 H GLN A 3 -20.210 -6.177 0.576 1.00 55.22 H new ATOM 0 HA GLN A 3 -18.684 -7.684 -1.414 1.00 71.43 H new ATOM 0 HB2 GLN A 3 -19.275 -4.717 -1.110 1.00 31.33 H new ATOM 0 HB3 GLN A 3 -18.466 -5.457 -2.478 1.00 31.33 H new ATOM 0 HG2 GLN A 3 -20.531 -6.798 -2.936 1.00 51.13 H new ATOM 0 HG3 GLN A 3 -21.333 -5.977 -1.611 1.00 51.13 H new ATOM 0 HE21 GLN A 3 -22.928 -5.054 -2.959 1.00 65.33 H new ATOM 0 HE22 GLN A 3 -22.552 -3.741 -4.080 1.00 65.33 H new ATOM 48 N TRP A 4 -17.194 -6.865 1.023 1.00 51.20 N ATOM 49 CA TRP A 4 -15.969 -6.587 1.751 1.00 1.24 C ATOM 50 C TRP A 4 -15.091 -7.831 1.776 1.00 64.31 C ATOM 51 O TRP A 4 -15.482 -8.862 2.327 1.00 73.51 O ATOM 52 CB TRP A 4 -16.299 -6.152 3.180 1.00 22.35 C ATOM 53 CG TRP A 4 -17.285 -5.023 3.252 1.00 23.11 C ATOM 54 CD1 TRP A 4 -18.646 -5.123 3.257 1.00 32.31 C ATOM 55 CD2 TRP A 4 -16.989 -3.628 3.339 1.00 52.34 C ATOM 56 NE1 TRP A 4 -19.214 -3.878 3.335 1.00 62.01 N ATOM 57 CE2 TRP A 4 -18.217 -2.941 3.387 1.00 74.11 C ATOM 58 CE3 TRP A 4 -15.806 -2.892 3.380 1.00 74.42 C ATOM 59 CZ2 TRP A 4 -18.293 -1.554 3.475 1.00 60.01 C ATOM 60 CZ3 TRP A 4 -15.883 -1.516 3.468 1.00 5.40 C ATOM 61 CH2 TRP A 4 -17.119 -0.861 3.514 1.00 3.34 C ATOM 0 H TRP A 4 -17.882 -7.398 1.555 1.00 51.20 H new ATOM 0 HA TRP A 4 -15.432 -5.781 1.251 1.00 1.24 H new ATOM 0 HB2 TRP A 4 -16.697 -7.006 3.728 1.00 22.35 H new ATOM 0 HB3 TRP A 4 -15.379 -5.852 3.681 1.00 22.35 H new ATOM 0 HD1 TRP A 4 -19.197 -6.051 3.207 1.00 32.31 H new ATOM 0 HE1 TRP A 4 -20.215 -3.682 3.352 1.00 62.01 H new ATOM 0 HE3 TRP A 4 -14.848 -3.388 3.344 1.00 74.42 H new ATOM 0 HZ2 TRP A 4 -19.245 -1.046 3.511 1.00 60.01 H new ATOM 0 HZ3 TRP A 4 -14.973 -0.935 3.502 1.00 5.40 H new ATOM 0 HH2 TRP A 4 -17.144 0.217 3.582 1.00 3.34 H new ATOM 72 N THR A 5 -13.922 -7.741 1.169 1.00 33.44 N ATOM 73 CA THR A 5 -13.026 -8.877 1.080 1.00 72.03 C ATOM 74 C THR A 5 -11.938 -8.808 2.149 1.00 74.40 C ATOM 75 O THR A 5 -11.307 -7.767 2.349 1.00 43.21 O ATOM 76 CB THR A 5 -12.388 -8.962 -0.321 1.00 1.31 C ATOM 77 OG1 THR A 5 -13.421 -9.033 -1.314 1.00 13.42 O ATOM 78 CG2 THR A 5 -11.479 -10.176 -0.443 1.00 2.33 C ATOM 0 H THR A 5 -13.571 -6.890 0.729 1.00 33.44 H new ATOM 0 HA THR A 5 -13.617 -9.777 1.251 1.00 72.03 H new ATOM 0 HB THR A 5 -11.783 -8.068 -0.475 1.00 1.31 H new ATOM 0 HG1 THR A 5 -13.097 -9.541 -2.087 1.00 13.42 H new ATOM 0 HG21 THR A 5 -11.045 -10.207 -1.442 1.00 2.33 H new ATOM 0 HG22 THR A 5 -10.681 -10.109 0.297 1.00 2.33 H new ATOM 0 HG23 THR A 5 -12.058 -11.083 -0.271 1.00 2.33 H new ATOM 86 N THR A 6 -11.746 -9.924 2.841 1.00 25.40 N ATOM 87 CA THR A 6 -10.751 -10.030 3.893 1.00 31.12 C ATOM 88 C THR A 6 -9.337 -9.945 3.321 1.00 11.45 C ATOM 89 O THR A 6 -8.944 -10.773 2.497 1.00 53.32 O ATOM 90 CB THR A 6 -10.913 -11.373 4.631 1.00 53.14 C ATOM 91 OG1 THR A 6 -12.305 -11.638 4.877 1.00 75.32 O ATOM 92 CG2 THR A 6 -10.150 -11.370 5.946 1.00 21.34 C ATOM 0 H THR A 6 -12.278 -10.780 2.686 1.00 25.40 H new ATOM 0 HA THR A 6 -10.902 -9.201 4.585 1.00 31.12 H new ATOM 0 HB THR A 6 -10.502 -12.158 3.996 1.00 53.14 H new ATOM 0 HG1 THR A 6 -12.656 -10.981 5.514 1.00 75.32 H new ATOM 0 HG21 THR A 6 -10.282 -12.330 6.445 1.00 21.34 H new ATOM 0 HG22 THR A 6 -9.090 -11.205 5.751 1.00 21.34 H new ATOM 0 HG23 THR A 6 -10.530 -10.573 6.585 1.00 21.34 H new ATOM 100 N VAL A 7 -8.578 -8.944 3.750 1.00 14.43 N ATOM 101 CA VAL A 7 -7.202 -8.796 3.298 1.00 70.52 C ATOM 102 C VAL A 7 -6.240 -9.432 4.299 1.00 54.13 C ATOM 103 O VAL A 7 -5.856 -10.592 4.153 1.00 3.21 O ATOM 104 CB VAL A 7 -6.821 -7.312 3.085 1.00 54.43 C ATOM 105 CG1 VAL A 7 -5.430 -7.191 2.480 1.00 20.33 C ATOM 106 CG2 VAL A 7 -7.848 -6.615 2.208 1.00 41.54 C ATOM 0 H VAL A 7 -8.890 -8.228 4.406 1.00 14.43 H new ATOM 0 HA VAL A 7 -7.122 -9.307 2.339 1.00 70.52 H new ATOM 0 HB VAL A 7 -6.812 -6.822 4.059 1.00 54.43 H new ATOM 0 HG11 VAL A 7 -5.185 -6.138 2.340 1.00 20.33 H new ATOM 0 HG12 VAL A 7 -4.701 -7.647 3.150 1.00 20.33 H new ATOM 0 HG13 VAL A 7 -5.407 -7.701 1.517 1.00 20.33 H new ATOM 0 HG21 VAL A 7 -7.561 -5.572 2.071 1.00 41.54 H new ATOM 0 HG22 VAL A 7 -7.894 -7.110 1.238 1.00 41.54 H new ATOM 0 HG23 VAL A 7 -8.827 -6.662 2.686 1.00 41.54 H new ATOM 116 N CYS A 8 -5.880 -8.680 5.332 1.00 20.34 N ATOM 117 CA CYS A 8 -4.950 -9.159 6.348 1.00 42.14 C ATOM 118 C CYS A 8 -5.378 -8.660 7.722 1.00 41.11 C ATOM 119 O CYS A 8 -6.158 -7.712 7.825 1.00 5.23 O ATOM 120 CB CYS A 8 -3.523 -8.684 6.042 1.00 43.42 C ATOM 121 SG CYS A 8 -2.873 -9.228 4.441 1.00 74.45 S ATOM 0 H CYS A 8 -6.220 -7.731 5.489 1.00 20.34 H new ATOM 0 HA CYS A 8 -4.962 -10.249 6.341 1.00 42.14 H new ATOM 0 HB2 CYS A 8 -3.502 -7.595 6.077 1.00 43.42 H new ATOM 0 HB3 CYS A 8 -2.859 -9.041 6.829 1.00 43.42 H new ATOM 0 HG CYS A 8 -1.666 -8.770 4.284 1.00 74.45 H new ATOM 127 N LYS A 9 -4.884 -9.304 8.775 1.00 14.34 N ATOM 128 CA LYS A 9 -5.181 -8.872 10.135 1.00 25.23 C ATOM 129 C LYS A 9 -4.571 -7.502 10.392 1.00 41.31 C ATOM 130 O LYS A 9 -3.487 -7.200 9.896 1.00 12.41 O ATOM 131 CB LYS A 9 -4.621 -9.851 11.169 1.00 70.02 C ATOM 132 CG LYS A 9 -5.026 -11.299 10.971 1.00 3.44 C ATOM 133 CD LYS A 9 -4.407 -12.174 12.045 1.00 14.33 C ATOM 134 CE LYS A 9 -4.675 -13.647 11.805 1.00 4.51 C ATOM 135 NZ LYS A 9 -4.067 -14.491 12.863 1.00 52.44 N ATOM 0 H LYS A 9 -4.279 -10.123 8.713 1.00 14.34 H new ATOM 0 HA LYS A 9 -6.266 -8.832 10.234 1.00 25.23 H new ATOM 0 HB2 LYS A 9 -3.533 -9.789 11.153 1.00 70.02 H new ATOM 0 HB3 LYS A 9 -4.944 -9.532 12.160 1.00 70.02 H new ATOM 0 HG2 LYS A 9 -6.112 -11.387 11.003 1.00 3.44 H new ATOM 0 HG3 LYS A 9 -4.707 -11.641 9.986 1.00 3.44 H new ATOM 0 HD2 LYS A 9 -3.331 -12.002 12.076 1.00 14.33 H new ATOM 0 HD3 LYS A 9 -4.804 -11.888 13.019 1.00 14.33 H new ATOM 0 HE2 LYS A 9 -5.750 -13.821 11.773 1.00 4.51 H new ATOM 0 HE3 LYS A 9 -4.276 -13.937 10.833 1.00 4.51 H new ATOM 0 HZ1 LYS A 9 -4.270 -15.492 12.668 1.00 52.44 H new ATOM 0 HZ2 LYS A 9 -3.038 -14.342 12.877 1.00 52.44 H new ATOM 0 HZ3 LYS A 9 -4.467 -14.231 13.787 1.00 52.44 H new ATOM 149 N LEU A 10 -5.257 -6.688 11.180 1.00 33.33 N ATOM 150 CA LEU A 10 -4.730 -5.390 11.580 1.00 41.34 C ATOM 151 C LEU A 10 -3.492 -5.588 12.459 1.00 75.12 C ATOM 152 O LEU A 10 -2.576 -4.770 12.472 1.00 45.01 O ATOM 153 CB LEU A 10 -5.825 -4.602 12.319 1.00 14.14 C ATOM 154 CG LEU A 10 -5.489 -3.152 12.677 1.00 24.43 C ATOM 155 CD1 LEU A 10 -6.758 -2.321 12.724 1.00 52.41 C ATOM 156 CD2 LEU A 10 -4.774 -3.073 14.016 1.00 64.14 C ATOM 0 H LEU A 10 -6.181 -6.903 11.556 1.00 33.33 H new ATOM 0 HA LEU A 10 -4.431 -4.818 10.702 1.00 41.34 H new ATOM 0 HB2 LEU A 10 -6.724 -4.603 11.702 1.00 14.14 H new ATOM 0 HB3 LEU A 10 -6.069 -5.134 13.238 1.00 14.14 H new ATOM 0 HG LEU A 10 -4.825 -2.758 11.908 1.00 24.43 H new ATOM 0 HD11 LEU A 10 -6.509 -1.291 12.979 1.00 52.41 H new ATOM 0 HD12 LEU A 10 -7.245 -2.346 11.749 1.00 52.41 H new ATOM 0 HD13 LEU A 10 -7.432 -2.729 13.477 1.00 52.41 H new ATOM 0 HD21 LEU A 10 -4.547 -2.032 14.246 1.00 64.14 H new ATOM 0 HD22 LEU A 10 -5.415 -3.486 14.795 1.00 64.14 H new ATOM 0 HD23 LEU A 10 -3.847 -3.645 13.968 1.00 64.14 H new ATOM 168 N ASP A 11 -3.465 -6.718 13.153 1.00 4.21 N ATOM 169 CA ASP A 11 -2.390 -7.044 14.084 1.00 74.32 C ATOM 170 C ASP A 11 -1.246 -7.748 13.366 1.00 63.41 C ATOM 171 O ASP A 11 -0.093 -7.680 13.790 1.00 51.52 O ATOM 172 CB ASP A 11 -2.932 -7.930 15.208 1.00 52.32 C ATOM 173 CG ASP A 11 -1.836 -8.514 16.078 1.00 22.52 C ATOM 174 OD1 ASP A 11 -1.287 -7.779 16.927 1.00 72.31 O ATOM 175 OD2 ASP A 11 -1.528 -9.716 15.923 1.00 72.03 O ATOM 0 H ASP A 11 -4.187 -7.435 13.087 1.00 4.21 H new ATOM 0 HA ASP A 11 -2.005 -6.117 14.509 1.00 74.32 H new ATOM 0 HB2 ASP A 11 -3.610 -7.346 15.830 1.00 52.32 H new ATOM 0 HB3 ASP A 11 -3.516 -8.742 14.775 1.00 52.32 H new ATOM 180 N ASP A 12 -1.576 -8.400 12.259 1.00 53.23 N ATOM 181 CA ASP A 12 -0.595 -9.143 11.470 1.00 12.34 C ATOM 182 C ASP A 12 0.315 -8.171 10.729 1.00 53.34 C ATOM 183 O ASP A 12 1.386 -8.535 10.247 1.00 43.31 O ATOM 184 CB ASP A 12 -1.318 -10.068 10.485 1.00 1.04 C ATOM 185 CG ASP A 12 -0.394 -11.019 9.745 1.00 10.44 C ATOM 186 OD1 ASP A 12 0.577 -11.519 10.353 1.00 0.14 O ATOM 187 OD2 ASP A 12 -0.659 -11.297 8.557 1.00 1.04 O ATOM 0 H ASP A 12 -2.523 -8.431 11.882 1.00 53.23 H new ATOM 0 HA ASP A 12 0.019 -9.753 12.133 1.00 12.34 H new ATOM 0 HB2 ASP A 12 -2.063 -10.649 11.028 1.00 1.04 H new ATOM 0 HB3 ASP A 12 -1.856 -9.460 9.758 1.00 1.04 H new ATOM 192 N ILE A 13 -0.124 -6.924 10.655 1.00 51.45 N ATOM 193 CA ILE A 13 0.660 -5.874 10.026 1.00 12.55 C ATOM 194 C ILE A 13 1.449 -5.106 11.085 1.00 31.50 C ATOM 195 O ILE A 13 0.909 -4.738 12.128 1.00 4.13 O ATOM 196 CB ILE A 13 -0.247 -4.912 9.232 1.00 13.52 C ATOM 197 CG1 ILE A 13 -1.052 -5.704 8.200 1.00 24.33 C ATOM 198 CG2 ILE A 13 0.578 -3.827 8.548 1.00 42.12 C ATOM 199 CD1 ILE A 13 -2.081 -4.880 7.462 1.00 31.43 C ATOM 0 H ILE A 13 -1.023 -6.614 11.025 1.00 51.45 H new ATOM 0 HA ILE A 13 1.358 -6.336 9.328 1.00 12.55 H new ATOM 0 HB ILE A 13 -0.933 -4.423 9.924 1.00 13.52 H new ATOM 0 HG12 ILE A 13 -0.365 -6.142 7.476 1.00 24.33 H new ATOM 0 HG13 ILE A 13 -1.555 -6.530 8.702 1.00 24.33 H new ATOM 0 HG21 ILE A 13 -0.084 -3.161 7.994 1.00 42.12 H new ATOM 0 HG22 ILE A 13 1.122 -3.255 9.300 1.00 42.12 H new ATOM 0 HG23 ILE A 13 1.287 -4.288 7.860 1.00 42.12 H new ATOM 0 HD11 ILE A 13 -2.610 -5.512 6.749 1.00 31.43 H new ATOM 0 HD12 ILE A 13 -2.793 -4.463 8.175 1.00 31.43 H new ATOM 0 HD13 ILE A 13 -1.584 -4.069 6.929 1.00 31.43 H new ATOM 211 N LEU A 14 2.726 -4.876 10.820 1.00 24.02 N ATOM 212 CA LEU A 14 3.612 -4.257 11.796 1.00 62.22 C ATOM 213 C LEU A 14 3.336 -2.760 11.944 1.00 62.22 C ATOM 214 O LEU A 14 2.884 -2.103 11.006 1.00 52.33 O ATOM 215 CB LEU A 14 5.069 -4.485 11.392 1.00 41.13 C ATOM 216 CG LEU A 14 5.499 -5.951 11.320 1.00 24.23 C ATOM 217 CD1 LEU A 14 6.973 -6.056 10.960 1.00 32.12 C ATOM 218 CD2 LEU A 14 5.214 -6.647 12.640 1.00 40.04 C ATOM 0 H LEU A 14 3.174 -5.109 9.934 1.00 24.02 H new ATOM 0 HA LEU A 14 3.423 -4.724 12.763 1.00 62.22 H new ATOM 0 HB2 LEU A 14 5.236 -4.025 10.418 1.00 41.13 H new ATOM 0 HB3 LEU A 14 5.713 -3.968 12.104 1.00 41.13 H new ATOM 0 HG LEU A 14 4.923 -6.447 10.539 1.00 24.23 H new ATOM 0 HD11 LEU A 14 7.262 -7.106 10.913 1.00 32.12 H new ATOM 0 HD12 LEU A 14 7.145 -5.589 9.990 1.00 32.12 H new ATOM 0 HD13 LEU A 14 7.570 -5.549 11.718 1.00 32.12 H new ATOM 0 HD21 LEU A 14 5.525 -7.690 12.576 1.00 40.04 H new ATOM 0 HD22 LEU A 14 5.766 -6.152 13.439 1.00 40.04 H new ATOM 0 HD23 LEU A 14 4.146 -6.599 12.854 1.00 40.04 H new ATOM 230 N PRO A 15 3.589 -2.207 13.139 1.00 65.32 N ATOM 231 CA PRO A 15 3.444 -0.773 13.393 1.00 4.14 C ATOM 232 C PRO A 15 4.455 0.049 12.597 1.00 63.33 C ATOM 233 O PRO A 15 5.665 -0.173 12.684 1.00 14.51 O ATOM 234 CB PRO A 15 3.703 -0.638 14.897 1.00 72.54 C ATOM 235 CG PRO A 15 4.500 -1.842 15.255 1.00 44.40 C ATOM 236 CD PRO A 15 4.029 -2.935 14.342 1.00 23.53 C ATOM 0 HA PRO A 15 2.465 -0.401 13.091 1.00 4.14 H new ATOM 0 HB2 PRO A 15 4.247 0.279 15.124 1.00 72.54 H new ATOM 0 HB3 PRO A 15 2.769 -0.601 15.457 1.00 72.54 H new ATOM 0 HG2 PRO A 15 5.566 -1.657 15.125 1.00 44.40 H new ATOM 0 HG3 PRO A 15 4.349 -2.114 16.300 1.00 44.40 H new ATOM 0 HD2 PRO A 15 4.828 -3.641 14.115 1.00 23.53 H new ATOM 0 HD3 PRO A 15 3.214 -3.507 14.786 1.00 23.53 H new ATOM 244 N GLY A 16 3.942 0.981 11.809 1.00 23.45 N ATOM 245 CA GLY A 16 4.786 1.836 11.008 1.00 40.12 C ATOM 246 C GLY A 16 5.127 1.221 9.667 1.00 44.13 C ATOM 247 O GLY A 16 6.225 1.428 9.153 1.00 2.31 O ATOM 0 H GLY A 16 2.943 1.160 11.711 1.00 23.45 H new ATOM 0 HA2 GLY A 16 4.285 2.791 10.849 1.00 40.12 H new ATOM 0 HA3 GLY A 16 5.707 2.046 11.553 1.00 40.12 H new ATOM 251 N THR A 17 4.195 0.468 9.083 1.00 63.33 N ATOM 252 CA THR A 17 4.467 -0.195 7.810 1.00 21.35 C ATOM 253 C THR A 17 3.285 -0.054 6.856 1.00 2.01 C ATOM 254 O THR A 17 2.268 0.551 7.199 1.00 34.11 O ATOM 255 CB THR A 17 4.803 -1.698 7.983 1.00 61.12 C ATOM 256 OG1 THR A 17 3.693 -2.399 8.552 1.00 1.12 O ATOM 257 CG2 THR A 17 6.032 -1.896 8.859 1.00 53.45 C ATOM 0 H THR A 17 3.263 0.304 9.463 1.00 63.33 H new ATOM 0 HA THR A 17 5.341 0.302 7.390 1.00 21.35 H new ATOM 0 HB THR A 17 5.016 -2.100 6.993 1.00 61.12 H new ATOM 0 HG1 THR A 17 3.588 -2.139 9.491 1.00 1.12 H new ATOM 0 HG21 THR A 17 6.239 -2.961 8.959 1.00 53.45 H new ATOM 0 HG22 THR A 17 6.889 -1.401 8.401 1.00 53.45 H new ATOM 0 HG23 THR A 17 5.849 -1.467 9.844 1.00 53.45 H new ATOM 265 N GLY A 18 3.436 -0.613 5.665 1.00 2.32 N ATOM 266 CA GLY A 18 2.386 -0.568 4.669 1.00 21.13 C ATOM 267 C GLY A 18 2.763 -1.370 3.446 1.00 11.34 C ATOM 268 O GLY A 18 3.555 -0.911 2.621 1.00 45.14 O ATOM 0 H GLY A 18 4.279 -1.104 5.368 1.00 2.32 H new ATOM 0 HA2 GLY A 18 1.461 -0.959 5.093 1.00 21.13 H new ATOM 0 HA3 GLY A 18 2.194 0.467 4.385 1.00 21.13 H new ATOM 272 N VAL A 19 2.222 -2.576 3.331 1.00 33.01 N ATOM 273 CA VAL A 19 2.605 -3.471 2.246 1.00 74.40 C ATOM 274 C VAL A 19 1.433 -3.801 1.331 1.00 34.22 C ATOM 275 O VAL A 19 0.278 -3.800 1.759 1.00 65.43 O ATOM 276 CB VAL A 19 3.222 -4.783 2.780 1.00 22.24 C ATOM 277 CG1 VAL A 19 4.530 -4.505 3.502 1.00 15.42 C ATOM 278 CG2 VAL A 19 2.253 -5.509 3.704 1.00 53.32 C ATOM 0 H VAL A 19 1.523 -2.955 3.969 1.00 33.01 H new ATOM 0 HA VAL A 19 3.356 -2.935 1.666 1.00 74.40 H new ATOM 0 HB VAL A 19 3.425 -5.428 1.925 1.00 22.24 H new ATOM 0 HG11 VAL A 19 4.948 -5.442 3.870 1.00 15.42 H new ATOM 0 HG12 VAL A 19 5.234 -4.039 2.813 1.00 15.42 H new ATOM 0 HG13 VAL A 19 4.347 -3.834 4.342 1.00 15.42 H new ATOM 0 HG21 VAL A 19 2.714 -6.429 4.065 1.00 53.32 H new ATOM 0 HG22 VAL A 19 2.010 -4.868 4.552 1.00 53.32 H new ATOM 0 HG23 VAL A 19 1.341 -5.750 3.158 1.00 53.32 H new ATOM 288 N CYS A 20 1.745 -4.061 0.063 1.00 63.35 N ATOM 289 CA CYS A 20 0.738 -4.421 -0.918 1.00 41.02 C ATOM 290 C CYS A 20 0.320 -5.880 -0.785 1.00 71.24 C ATOM 291 O CYS A 20 1.163 -6.779 -0.738 1.00 74.42 O ATOM 292 CB CYS A 20 1.285 -4.167 -2.320 1.00 32.32 C ATOM 293 SG CYS A 20 2.929 -4.864 -2.601 1.00 13.14 S ATOM 0 H CYS A 20 2.696 -4.027 -0.305 1.00 63.35 H new ATOM 0 HA CYS A 20 -0.144 -3.805 -0.742 1.00 41.02 H new ATOM 0 HB2 CYS A 20 0.593 -4.586 -3.051 1.00 32.32 H new ATOM 0 HB3 CYS A 20 1.322 -3.092 -2.496 1.00 32.32 H new ATOM 0 HG CYS A 20 3.046 -5.978 -1.942 1.00 13.14 H new ATOM 299 N ALA A 21 -0.979 -6.106 -0.705 1.00 64.12 N ATOM 300 CA ALA A 21 -1.526 -7.450 -0.746 1.00 52.12 C ATOM 301 C ALA A 21 -2.309 -7.638 -2.036 1.00 72.33 C ATOM 302 O ALA A 21 -3.043 -6.740 -2.456 1.00 25.24 O ATOM 303 CB ALA A 21 -2.413 -7.703 0.462 1.00 3.13 C ATOM 0 H ALA A 21 -1.679 -5.370 -0.611 1.00 64.12 H new ATOM 0 HA ALA A 21 -0.708 -8.170 -0.717 1.00 52.12 H new ATOM 0 HB1 ALA A 21 -2.814 -8.715 0.413 1.00 3.13 H new ATOM 0 HB2 ALA A 21 -1.827 -7.588 1.374 1.00 3.13 H new ATOM 0 HB3 ALA A 21 -3.235 -6.987 0.466 1.00 3.13 H new ATOM 309 N LEU A 22 -2.143 -8.787 -2.673 1.00 11.03 N ATOM 310 CA LEU A 22 -2.823 -9.057 -3.931 1.00 64.55 C ATOM 311 C LEU A 22 -4.230 -9.565 -3.651 1.00 4.53 C ATOM 312 O LEU A 22 -4.414 -10.690 -3.183 1.00 21.02 O ATOM 313 CB LEU A 22 -2.025 -10.077 -4.764 1.00 72.24 C ATOM 314 CG LEU A 22 -2.396 -10.183 -6.254 1.00 51.11 C ATOM 315 CD1 LEU A 22 -3.705 -10.936 -6.457 1.00 11.02 C ATOM 316 CD2 LEU A 22 -2.479 -8.796 -6.880 1.00 11.12 C ATOM 0 H LEU A 22 -1.546 -9.545 -2.342 1.00 11.03 H new ATOM 0 HA LEU A 22 -2.892 -8.135 -4.508 1.00 64.55 H new ATOM 0 HB2 LEU A 22 -0.967 -9.824 -4.692 1.00 72.24 H new ATOM 0 HB3 LEU A 22 -2.149 -11.060 -4.310 1.00 72.24 H new ATOM 0 HG LEU A 22 -1.609 -10.750 -6.750 1.00 51.11 H new ATOM 0 HD11 LEU A 22 -3.933 -10.990 -7.522 1.00 11.02 H new ATOM 0 HD12 LEU A 22 -3.611 -11.945 -6.055 1.00 11.02 H new ATOM 0 HD13 LEU A 22 -4.510 -10.413 -5.940 1.00 11.02 H new ATOM 0 HD21 LEU A 22 -2.742 -8.888 -7.934 1.00 11.12 H new ATOM 0 HD22 LEU A 22 -3.240 -8.210 -6.365 1.00 11.12 H new ATOM 0 HD23 LEU A 22 -1.514 -8.297 -6.789 1.00 11.12 H new ATOM 328 N VAL A 23 -5.217 -8.723 -3.917 1.00 21.25 N ATOM 329 CA VAL A 23 -6.605 -9.093 -3.712 1.00 42.02 C ATOM 330 C VAL A 23 -7.320 -9.206 -5.053 1.00 53.33 C ATOM 331 O VAL A 23 -7.805 -8.210 -5.600 1.00 10.51 O ATOM 332 CB VAL A 23 -7.341 -8.080 -2.809 1.00 4.13 C ATOM 333 CG1 VAL A 23 -8.757 -8.548 -2.514 1.00 71.11 C ATOM 334 CG2 VAL A 23 -6.571 -7.859 -1.515 1.00 32.40 C ATOM 0 H VAL A 23 -5.080 -7.778 -4.276 1.00 21.25 H new ATOM 0 HA VAL A 23 -6.617 -10.059 -3.208 1.00 42.02 H new ATOM 0 HB VAL A 23 -7.400 -7.131 -3.342 1.00 4.13 H new ATOM 0 HG11 VAL A 23 -9.256 -7.818 -1.876 1.00 71.11 H new ATOM 0 HG12 VAL A 23 -9.309 -8.650 -3.449 1.00 71.11 H new ATOM 0 HG13 VAL A 23 -8.723 -9.511 -2.005 1.00 71.11 H new ATOM 0 HG21 VAL A 23 -7.105 -7.142 -0.892 1.00 32.40 H new ATOM 0 HG22 VAL A 23 -6.477 -8.805 -0.981 1.00 32.40 H new ATOM 0 HG23 VAL A 23 -5.578 -7.472 -1.744 1.00 32.40 H new ATOM 344 N GLU A 24 -7.330 -10.424 -5.591 1.00 22.44 N ATOM 345 CA GLU A 24 -7.991 -10.739 -6.857 1.00 31.23 C ATOM 346 C GLU A 24 -7.353 -10.043 -8.055 1.00 45.23 C ATOM 347 O GLU A 24 -6.642 -10.677 -8.834 1.00 73.43 O ATOM 348 CB GLU A 24 -9.490 -10.432 -6.793 1.00 65.00 C ATOM 349 CG GLU A 24 -10.313 -11.619 -6.333 1.00 32.43 C ATOM 350 CD GLU A 24 -10.146 -12.805 -7.260 1.00 75.41 C ATOM 351 OE1 GLU A 24 -10.857 -12.868 -8.281 1.00 72.01 O ATOM 352 OE2 GLU A 24 -9.284 -13.664 -6.984 1.00 63.34 O ATOM 0 H GLU A 24 -6.876 -11.227 -5.157 1.00 22.44 H new ATOM 0 HA GLU A 24 -7.858 -11.810 -7.007 1.00 31.23 H new ATOM 0 HB2 GLU A 24 -9.656 -9.595 -6.114 1.00 65.00 H new ATOM 0 HB3 GLU A 24 -9.834 -10.117 -7.778 1.00 65.00 H new ATOM 0 HG2 GLU A 24 -10.014 -11.901 -5.323 1.00 32.43 H new ATOM 0 HG3 GLU A 24 -11.365 -11.337 -6.287 1.00 32.43 H new ATOM 359 N GLN A 25 -7.597 -8.749 -8.199 1.00 44.55 N ATOM 360 CA GLN A 25 -7.149 -8.014 -9.377 1.00 21.22 C ATOM 361 C GLN A 25 -6.553 -6.656 -9.017 1.00 64.00 C ATOM 362 O GLN A 25 -6.292 -5.835 -9.896 1.00 55.20 O ATOM 363 CB GLN A 25 -8.307 -7.852 -10.377 1.00 25.40 C ATOM 364 CG GLN A 25 -9.672 -7.545 -9.756 1.00 32.02 C ATOM 365 CD GLN A 25 -9.774 -6.171 -9.118 1.00 50.21 C ATOM 366 OE1 GLN A 25 -10.082 -5.184 -9.786 1.00 55.14 O ATOM 367 NE2 GLN A 25 -9.568 -6.102 -7.811 1.00 73.33 N ATOM 0 H GLN A 25 -8.102 -8.185 -7.516 1.00 44.55 H new ATOM 0 HA GLN A 25 -6.355 -8.597 -9.844 1.00 21.22 H new ATOM 0 HB2 GLN A 25 -8.055 -7.052 -11.073 1.00 25.40 H new ATOM 0 HB3 GLN A 25 -8.390 -8.768 -10.962 1.00 25.40 H new ATOM 0 HG2 GLN A 25 -10.437 -7.632 -10.528 1.00 32.02 H new ATOM 0 HG3 GLN A 25 -9.893 -8.300 -9.002 1.00 32.02 H new ATOM 0 HE21 GLN A 25 -9.314 -6.941 -7.290 1.00 73.33 H new ATOM 0 HE22 GLN A 25 -9.663 -5.210 -7.326 1.00 73.33 H new ATOM 376 N GLN A 26 -6.325 -6.429 -7.733 1.00 55.23 N ATOM 377 CA GLN A 26 -5.773 -5.166 -7.274 1.00 32.31 C ATOM 378 C GLN A 26 -4.795 -5.374 -6.129 1.00 11.52 C ATOM 379 O GLN A 26 -4.974 -6.265 -5.297 1.00 44.43 O ATOM 380 CB GLN A 26 -6.898 -4.229 -6.840 1.00 73.43 C ATOM 381 CG GLN A 26 -7.400 -3.333 -7.959 1.00 1.12 C ATOM 382 CD GLN A 26 -6.438 -2.199 -8.268 1.00 51.34 C ATOM 383 OE1 GLN A 26 -5.509 -2.355 -9.061 1.00 21.23 O ATOM 384 NE2 GLN A 26 -6.669 -1.045 -7.661 1.00 72.31 N ATOM 0 H GLN A 26 -6.514 -7.103 -6.991 1.00 55.23 H new ATOM 0 HA GLN A 26 -5.229 -4.715 -8.104 1.00 32.31 H new ATOM 0 HB2 GLN A 26 -7.729 -4.823 -6.459 1.00 73.43 H new ATOM 0 HB3 GLN A 26 -6.546 -3.607 -6.017 1.00 73.43 H new ATOM 0 HG2 GLN A 26 -7.554 -3.930 -8.858 1.00 1.12 H new ATOM 0 HG3 GLN A 26 -8.369 -2.918 -7.682 1.00 1.12 H new ATOM 0 HE21 GLN A 26 -7.450 -0.958 -7.011 1.00 72.31 H new ATOM 0 HE22 GLN A 26 -6.066 -0.243 -7.844 1.00 72.31 H new ATOM 393 N GLN A 27 -3.750 -4.561 -6.108 1.00 61.23 N ATOM 394 CA GLN A 27 -2.807 -4.557 -5.004 1.00 33.33 C ATOM 395 C GLN A 27 -3.193 -3.467 -4.019 1.00 20.54 C ATOM 396 O GLN A 27 -3.256 -2.290 -4.378 1.00 31.35 O ATOM 397 CB GLN A 27 -1.377 -4.315 -5.493 1.00 50.12 C ATOM 398 CG GLN A 27 -0.847 -5.375 -6.442 1.00 54.14 C ATOM 399 CD GLN A 27 0.594 -5.118 -6.838 1.00 65.25 C ATOM 400 OE1 GLN A 27 0.871 -4.432 -7.819 1.00 75.55 O ATOM 401 NE2 GLN A 27 1.523 -5.666 -6.074 1.00 31.34 N ATOM 0 H GLN A 27 -3.534 -3.893 -6.848 1.00 61.23 H new ATOM 0 HA GLN A 27 -2.841 -5.534 -4.521 1.00 33.33 H new ATOM 0 HB2 GLN A 27 -1.336 -3.346 -5.991 1.00 50.12 H new ATOM 0 HB3 GLN A 27 -0.716 -4.257 -4.628 1.00 50.12 H new ATOM 0 HG2 GLN A 27 -0.923 -6.354 -5.970 1.00 54.14 H new ATOM 0 HG3 GLN A 27 -1.469 -5.403 -7.337 1.00 54.14 H new ATOM 0 HE21 GLN A 27 1.253 -6.229 -5.268 1.00 31.34 H new ATOM 0 HE22 GLN A 27 2.510 -5.526 -6.291 1.00 31.34 H new ATOM 410 N ILE A 28 -3.470 -3.854 -2.790 1.00 10.40 N ATOM 411 CA ILE A 28 -3.835 -2.895 -1.763 1.00 65.54 C ATOM 412 C ILE A 28 -2.728 -2.795 -0.726 1.00 24.22 C ATOM 413 O ILE A 28 -2.353 -3.791 -0.106 1.00 51.02 O ATOM 414 CB ILE A 28 -5.171 -3.267 -1.064 1.00 34.12 C ATOM 415 CG1 ILE A 28 -6.364 -3.124 -2.019 1.00 34.55 C ATOM 416 CG2 ILE A 28 -5.392 -2.407 0.169 1.00 35.40 C ATOM 417 CD1 ILE A 28 -6.520 -4.265 -3.000 1.00 43.44 C ATOM 0 H ILE A 28 -3.450 -4.825 -2.477 1.00 10.40 H new ATOM 0 HA ILE A 28 -3.973 -1.931 -2.254 1.00 65.54 H new ATOM 0 HB ILE A 28 -5.098 -4.311 -0.761 1.00 34.12 H new ATOM 0 HG12 ILE A 28 -7.277 -3.040 -1.430 1.00 34.55 H new ATOM 0 HG13 ILE A 28 -6.258 -2.193 -2.577 1.00 34.55 H new ATOM 0 HG21 ILE A 28 -6.334 -2.685 0.642 1.00 35.40 H new ATOM 0 HG22 ILE A 28 -4.573 -2.561 0.872 1.00 35.40 H new ATOM 0 HG23 ILE A 28 -5.428 -1.357 -0.121 1.00 35.40 H new ATOM 0 HD11 ILE A 28 -7.387 -4.082 -3.636 1.00 43.44 H new ATOM 0 HD12 ILE A 28 -5.625 -4.338 -3.618 1.00 43.44 H new ATOM 0 HD13 ILE A 28 -6.661 -5.198 -2.454 1.00 43.44 H new ATOM 429 N ALA A 29 -2.193 -1.598 -0.565 1.00 64.35 N ATOM 430 CA ALA A 29 -1.174 -1.340 0.436 1.00 53.22 C ATOM 431 C ALA A 29 -1.837 -0.900 1.727 1.00 50.21 C ATOM 432 O ALA A 29 -2.604 0.065 1.741 1.00 23.13 O ATOM 433 CB ALA A 29 -0.199 -0.282 -0.052 1.00 25.52 C ATOM 0 H ALA A 29 -2.451 -0.782 -1.121 1.00 64.35 H new ATOM 0 HA ALA A 29 -0.611 -2.256 0.617 1.00 53.22 H new ATOM 0 HB1 ALA A 29 0.557 -0.103 0.713 1.00 25.52 H new ATOM 0 HB2 ALA A 29 0.284 -0.627 -0.966 1.00 25.52 H new ATOM 0 HB3 ALA A 29 -0.738 0.644 -0.253 1.00 25.52 H new ATOM 439 N VAL A 30 -1.558 -1.608 2.807 1.00 54.31 N ATOM 440 CA VAL A 30 -2.225 -1.330 4.070 1.00 73.10 C ATOM 441 C VAL A 30 -1.274 -0.670 5.056 1.00 35.32 C ATOM 442 O VAL A 30 -0.369 -1.313 5.591 1.00 62.33 O ATOM 443 CB VAL A 30 -2.808 -2.607 4.706 1.00 3.32 C ATOM 444 CG1 VAL A 30 -3.713 -2.254 5.877 1.00 65.24 C ATOM 445 CG2 VAL A 30 -3.561 -3.436 3.674 1.00 34.10 C ATOM 0 H VAL A 30 -0.882 -2.372 2.838 1.00 54.31 H new ATOM 0 HA VAL A 30 -3.046 -0.649 3.845 1.00 73.10 H new ATOM 0 HB VAL A 30 -1.979 -3.209 5.080 1.00 3.32 H new ATOM 0 HG11 VAL A 30 -4.116 -3.168 6.314 1.00 65.24 H new ATOM 0 HG12 VAL A 30 -3.139 -1.714 6.630 1.00 65.24 H new ATOM 0 HG13 VAL A 30 -4.533 -1.627 5.527 1.00 65.24 H new ATOM 0 HG21 VAL A 30 -3.962 -4.331 4.149 1.00 34.10 H new ATOM 0 HG22 VAL A 30 -4.380 -2.847 3.261 1.00 34.10 H new ATOM 0 HG23 VAL A 30 -2.881 -3.724 2.872 1.00 34.10 H new ATOM 455 N PHE A 31 -1.482 0.616 5.275 1.00 72.01 N ATOM 456 CA PHE A 31 -0.684 1.383 6.218 1.00 62.24 C ATOM 457 C PHE A 31 -1.115 1.095 7.646 1.00 51.04 C ATOM 458 O PHE A 31 -2.308 1.040 7.941 1.00 42.41 O ATOM 459 CB PHE A 31 -0.850 2.886 5.973 1.00 11.34 C ATOM 460 CG PHE A 31 -0.307 3.382 4.667 1.00 2.54 C ATOM 461 CD1 PHE A 31 -1.013 3.199 3.491 1.00 13.24 C ATOM 462 CD2 PHE A 31 0.904 4.051 4.624 1.00 30.30 C ATOM 463 CE1 PHE A 31 -0.518 3.670 2.293 1.00 32.14 C ATOM 464 CE2 PHE A 31 1.403 4.527 3.431 1.00 1.20 C ATOM 465 CZ PHE A 31 0.692 4.337 2.264 1.00 72.12 C ATOM 0 H PHE A 31 -2.207 1.158 4.806 1.00 72.01 H new ATOM 0 HA PHE A 31 0.356 1.091 6.073 1.00 62.24 H new ATOM 0 HB2 PHE A 31 -1.911 3.132 6.024 1.00 11.34 H new ATOM 0 HB3 PHE A 31 -0.358 3.427 6.782 1.00 11.34 H new ATOM 0 HD1 PHE A 31 -1.961 2.682 3.512 1.00 13.24 H new ATOM 0 HD2 PHE A 31 1.464 4.202 5.535 1.00 30.30 H new ATOM 0 HE1 PHE A 31 -1.074 3.518 1.380 1.00 32.14 H new ATOM 0 HE2 PHE A 31 2.349 5.048 3.410 1.00 1.20 H new ATOM 0 HZ PHE A 31 1.081 4.710 1.328 1.00 72.12 H new ATOM 475 N ARG A 32 -0.146 0.913 8.527 1.00 20.11 N ATOM 476 CA ARG A 32 -0.416 0.916 9.955 1.00 72.52 C ATOM 477 C ARG A 32 0.527 1.896 10.639 1.00 2.13 C ATOM 478 O ARG A 32 1.484 1.491 11.285 1.00 31.23 O ATOM 479 CB ARG A 32 -0.288 -0.486 10.569 1.00 4.53 C ATOM 480 CG ARG A 32 -0.819 -0.567 11.998 1.00 14.02 C ATOM 481 CD ARG A 32 -0.678 -1.965 12.585 1.00 22.11 C ATOM 482 NE ARG A 32 -1.254 -2.057 13.934 1.00 72.10 N ATOM 483 CZ ARG A 32 -0.973 -3.033 14.806 1.00 22.15 C ATOM 484 NH1 ARG A 32 -0.129 -4.001 14.478 1.00 65.32 N ATOM 485 NH2 ARG A 32 -1.556 -3.056 16.000 1.00 71.31 N ATOM 0 H ARG A 32 0.832 0.762 8.280 1.00 20.11 H new ATOM 0 HA ARG A 32 -1.448 1.231 10.110 1.00 72.52 H new ATOM 0 HB2 ARG A 32 -0.828 -1.199 9.946 1.00 4.53 H new ATOM 0 HB3 ARG A 32 0.760 -0.785 10.560 1.00 4.53 H new ATOM 0 HG2 ARG A 32 -0.281 0.144 12.625 1.00 14.02 H new ATOM 0 HG3 ARG A 32 -1.869 -0.273 12.011 1.00 14.02 H new ATOM 0 HD2 ARG A 32 -1.171 -2.684 11.931 1.00 22.11 H new ATOM 0 HD3 ARG A 32 0.377 -2.238 12.622 1.00 22.11 H new ATOM 0 HE ARG A 32 -1.909 -1.331 14.224 1.00 72.10 H new ATOM 0 HH11 ARG A 32 0.310 -4.005 13.557 1.00 65.32 H new ATOM 0 HH12 ARG A 32 0.082 -4.742 15.146 1.00 65.32 H new ATOM 0 HH21 ARG A 32 -2.222 -2.327 16.257 1.00 71.31 H new ATOM 0 HH22 ARG A 32 -1.338 -3.802 16.660 1.00 71.31 H new ATOM 499 N PRO A 33 0.277 3.209 10.478 1.00 71.13 N ATOM 500 CA PRO A 33 1.177 4.264 10.974 1.00 54.32 C ATOM 501 C PRO A 33 1.294 4.254 12.490 1.00 63.21 C ATOM 502 O PRO A 33 2.363 4.505 13.047 1.00 22.44 O ATOM 503 CB PRO A 33 0.513 5.566 10.502 1.00 3.52 C ATOM 504 CG PRO A 33 -0.446 5.155 9.439 1.00 51.44 C ATOM 505 CD PRO A 33 -0.904 3.776 9.813 1.00 61.24 C ATOM 0 HA PRO A 33 2.193 4.133 10.603 1.00 54.32 H new ATOM 0 HB2 PRO A 33 -0.001 6.066 11.323 1.00 3.52 H new ATOM 0 HB3 PRO A 33 1.253 6.267 10.115 1.00 3.52 H new ATOM 0 HG2 PRO A 33 -1.288 5.845 9.384 1.00 51.44 H new ATOM 0 HG3 PRO A 33 0.032 5.156 8.459 1.00 51.44 H new ATOM 0 HD2 PRO A 33 -1.768 3.803 10.477 1.00 61.24 H new ATOM 0 HD3 PRO A 33 -1.193 3.195 8.937 1.00 61.24 H new ATOM 513 N ARG A 34 0.188 3.958 13.144 1.00 33.15 N ATOM 514 CA ARG A 34 0.148 3.874 14.592 1.00 71.03 C ATOM 515 C ARG A 34 -0.079 2.437 15.017 1.00 40.23 C ATOM 516 O ARG A 34 -0.734 1.673 14.303 1.00 2.21 O ATOM 517 CB ARG A 34 -0.975 4.751 15.144 1.00 51.12 C ATOM 518 CG ARG A 34 -0.667 6.237 15.132 1.00 13.32 C ATOM 519 CD ARG A 34 -1.913 7.055 15.424 1.00 71.40 C ATOM 520 NE ARG A 34 -2.707 6.468 16.504 1.00 52.25 N ATOM 521 CZ ARG A 34 -3.948 6.846 16.805 1.00 41.02 C ATOM 522 NH1 ARG A 34 -4.506 7.877 16.183 1.00 54.32 N ATOM 523 NH2 ARG A 34 -4.618 6.203 17.750 1.00 31.22 N ATOM 0 H ARG A 34 -0.705 3.769 12.689 1.00 33.15 H new ATOM 0 HA ARG A 34 1.101 4.226 14.988 1.00 71.03 H new ATOM 0 HB2 ARG A 34 -1.879 4.574 14.561 1.00 51.12 H new ATOM 0 HB3 ARG A 34 -1.191 4.444 16.168 1.00 51.12 H new ATOM 0 HG2 ARG A 34 0.100 6.459 15.874 1.00 13.32 H new ATOM 0 HG3 ARG A 34 -0.262 6.520 14.161 1.00 13.32 H new ATOM 0 HD2 ARG A 34 -1.626 8.071 15.695 1.00 71.40 H new ATOM 0 HD3 ARG A 34 -2.521 7.125 14.522 1.00 71.40 H new ATOM 0 HE ARG A 34 -2.284 5.724 17.060 1.00 52.25 H new ATOM 0 HH11 ARG A 34 -3.984 8.385 15.469 1.00 54.32 H new ATOM 0 HH12 ARG A 34 -5.457 8.161 16.419 1.00 54.32 H new ATOM 0 HH21 ARG A 34 -4.183 5.423 18.243 1.00 31.22 H new ATOM 0 HH22 ARG A 34 -5.569 6.488 17.985 1.00 31.22 H new ATOM 537 N ASN A 35 0.444 2.067 16.174 1.00 70.20 N ATOM 538 CA ASN A 35 0.207 0.741 16.722 1.00 24.21 C ATOM 539 C ASN A 35 -1.155 0.719 17.416 1.00 21.44 C ATOM 540 O ASN A 35 -1.282 0.435 18.606 1.00 12.23 O ATOM 541 CB ASN A 35 1.336 0.345 17.680 1.00 14.22 C ATOM 542 CG ASN A 35 1.281 -1.115 18.098 1.00 31.13 C ATOM 543 OD1 ASN A 35 1.760 -1.995 17.384 1.00 62.32 O ATOM 544 ND2 ASN A 35 0.733 -1.378 19.270 1.00 71.44 N ATOM 0 H ASN A 35 1.035 2.665 16.752 1.00 70.20 H new ATOM 0 HA ASN A 35 0.197 0.007 15.916 1.00 24.21 H new ATOM 0 HB2 ASN A 35 2.296 0.544 17.203 1.00 14.22 H new ATOM 0 HB3 ASN A 35 1.286 0.973 18.569 1.00 14.22 H new ATOM 0 HD21 ASN A 35 0.696 -2.338 19.612 1.00 71.44 H new ATOM 0 HD22 ASN A 35 0.346 -0.621 19.834 1.00 71.44 H new ATOM 551 N ASP A 36 -2.172 1.065 16.643 1.00 34.23 N ATOM 552 CA ASP A 36 -3.549 1.088 17.108 1.00 44.21 C ATOM 553 C ASP A 36 -4.428 0.476 16.035 1.00 11.14 C ATOM 554 O ASP A 36 -3.925 0.025 15.002 1.00 24.34 O ATOM 555 CB ASP A 36 -4.028 2.521 17.388 1.00 14.22 C ATOM 556 CG ASP A 36 -3.270 3.213 18.505 1.00 41.54 C ATOM 557 OD1 ASP A 36 -3.469 2.847 19.681 1.00 32.32 O ATOM 558 OD2 ASP A 36 -2.498 4.154 18.212 1.00 10.31 O ATOM 0 H ASP A 36 -2.064 1.340 15.667 1.00 34.23 H new ATOM 0 HA ASP A 36 -3.610 0.523 18.038 1.00 44.21 H new ATOM 0 HB2 ASP A 36 -3.932 3.111 16.476 1.00 14.22 H new ATOM 0 HB3 ASP A 36 -5.088 2.497 17.641 1.00 14.22 H new ATOM 563 N GLU A 37 -5.732 0.488 16.259 1.00 14.55 N ATOM 564 CA GLU A 37 -6.687 0.005 15.271 1.00 63.21 C ATOM 565 C GLU A 37 -6.982 1.096 14.242 1.00 63.53 C ATOM 566 O GLU A 37 -8.136 1.366 13.898 1.00 30.53 O ATOM 567 CB GLU A 37 -7.963 -0.452 15.975 1.00 23.43 C ATOM 568 CG GLU A 37 -7.741 -1.656 16.875 1.00 62.51 C ATOM 569 CD GLU A 37 -8.919 -1.945 17.776 1.00 44.21 C ATOM 570 OE1 GLU A 37 -9.819 -2.706 17.366 1.00 54.42 O ATOM 571 OE2 GLU A 37 -8.943 -1.425 18.912 1.00 11.51 O ATOM 0 H GLU A 37 -6.157 0.829 17.121 1.00 14.55 H new ATOM 0 HA GLU A 37 -6.262 -0.846 14.739 1.00 63.21 H new ATOM 0 HB2 GLU A 37 -8.359 0.371 16.569 1.00 23.43 H new ATOM 0 HB3 GLU A 37 -8.717 -0.697 15.227 1.00 23.43 H new ATOM 0 HG2 GLU A 37 -7.539 -2.532 16.258 1.00 62.51 H new ATOM 0 HG3 GLU A 37 -6.855 -1.487 17.487 1.00 62.51 H new ATOM 578 N GLN A 38 -5.915 1.703 13.745 1.00 21.50 N ATOM 579 CA GLN A 38 -6.006 2.768 12.762 1.00 32.15 C ATOM 580 C GLN A 38 -5.132 2.424 11.559 1.00 33.12 C ATOM 581 O GLN A 38 -3.911 2.598 11.595 1.00 23.52 O ATOM 582 CB GLN A 38 -5.562 4.096 13.385 1.00 34.52 C ATOM 583 CG GLN A 38 -5.776 5.305 12.487 1.00 11.42 C ATOM 584 CD GLN A 38 -7.236 5.523 12.133 1.00 52.42 C ATOM 585 OE1 GLN A 38 -8.132 5.157 12.891 1.00 51.44 O ATOM 586 NE2 GLN A 38 -7.486 6.140 10.991 1.00 71.24 N ATOM 0 H GLN A 38 -4.959 1.469 14.014 1.00 21.50 H new ATOM 0 HA GLN A 38 -7.040 2.871 12.432 1.00 32.15 H new ATOM 0 HB2 GLN A 38 -6.107 4.248 14.317 1.00 34.52 H new ATOM 0 HB3 GLN A 38 -4.505 4.029 13.641 1.00 34.52 H new ATOM 0 HG2 GLN A 38 -5.391 6.195 12.985 1.00 11.42 H new ATOM 0 HG3 GLN A 38 -5.200 5.178 11.571 1.00 11.42 H new ATOM 0 HE21 GLN A 38 -6.716 6.429 10.388 1.00 71.24 H new ATOM 0 HE22 GLN A 38 -8.449 6.327 10.713 1.00 71.24 H new ATOM 595 N VAL A 39 -5.756 1.909 10.512 1.00 34.12 N ATOM 596 CA VAL A 39 -5.035 1.473 9.321 1.00 32.15 C ATOM 597 C VAL A 39 -5.572 2.159 8.075 1.00 62.13 C ATOM 598 O VAL A 39 -6.676 2.706 8.083 1.00 22.30 O ATOM 599 CB VAL A 39 -5.121 -0.056 9.128 1.00 5.22 C ATOM 600 CG1 VAL A 39 -4.382 -0.778 10.244 1.00 63.13 C ATOM 601 CG2 VAL A 39 -6.571 -0.510 9.068 1.00 2.24 C ATOM 0 H VAL A 39 -6.767 1.781 10.460 1.00 34.12 H new ATOM 0 HA VAL A 39 -3.991 1.751 9.469 1.00 32.15 H new ATOM 0 HB VAL A 39 -4.645 -0.307 8.180 1.00 5.22 H new ATOM 0 HG11 VAL A 39 -4.454 -1.855 10.091 1.00 63.13 H new ATOM 0 HG12 VAL A 39 -3.334 -0.480 10.239 1.00 63.13 H new ATOM 0 HG13 VAL A 39 -4.828 -0.518 11.204 1.00 63.13 H new ATOM 0 HG21 VAL A 39 -6.609 -1.591 8.932 1.00 2.24 H new ATOM 0 HG22 VAL A 39 -7.074 -0.244 9.997 1.00 2.24 H new ATOM 0 HG23 VAL A 39 -7.071 -0.021 8.232 1.00 2.24 H new ATOM 611 N TYR A 40 -4.782 2.131 7.011 1.00 73.13 N ATOM 612 CA TYR A 40 -5.169 2.737 5.745 1.00 75.03 C ATOM 613 C TYR A 40 -4.867 1.790 4.592 1.00 13.12 C ATOM 614 O TYR A 40 -3.719 1.653 4.177 1.00 12.33 O ATOM 615 CB TYR A 40 -4.428 4.061 5.536 1.00 24.44 C ATOM 616 CG TYR A 40 -4.756 5.106 6.578 1.00 23.44 C ATOM 617 CD1 TYR A 40 -5.890 5.895 6.465 1.00 65.15 C ATOM 618 CD2 TYR A 40 -3.937 5.289 7.686 1.00 1.54 C ATOM 619 CE1 TYR A 40 -6.203 6.835 7.426 1.00 44.13 C ATOM 620 CE2 TYR A 40 -4.241 6.230 8.651 1.00 73.54 C ATOM 621 CZ TYR A 40 -5.375 6.999 8.516 1.00 2.32 C ATOM 622 OH TYR A 40 -5.690 7.929 9.480 1.00 74.23 O ATOM 0 H TYR A 40 -3.862 1.691 7.000 1.00 73.13 H new ATOM 0 HA TYR A 40 -6.241 2.934 5.772 1.00 75.03 H new ATOM 0 HB2 TYR A 40 -3.354 3.873 5.547 1.00 24.44 H new ATOM 0 HB3 TYR A 40 -4.673 4.454 4.549 1.00 24.44 H new ATOM 0 HD1 TYR A 40 -6.539 5.772 5.611 1.00 65.15 H new ATOM 0 HD2 TYR A 40 -3.048 4.685 7.794 1.00 1.54 H new ATOM 0 HE1 TYR A 40 -7.092 7.439 7.325 1.00 44.13 H new ATOM 0 HE2 TYR A 40 -3.594 6.361 9.505 1.00 73.54 H new ATOM 0 HH TYR A 40 -5.005 7.918 10.181 1.00 74.23 H new ATOM 632 N ALA A 41 -5.892 1.129 4.087 1.00 35.11 N ATOM 633 CA ALA A 41 -5.716 0.173 3.005 1.00 52.41 C ATOM 634 C ALA A 41 -6.199 0.751 1.680 1.00 31.34 C ATOM 635 O ALA A 41 -7.393 0.728 1.378 1.00 42.10 O ATOM 636 CB ALA A 41 -6.442 -1.125 3.321 1.00 70.51 C ATOM 0 H ALA A 41 -6.855 1.235 4.407 1.00 35.11 H new ATOM 0 HA ALA A 41 -4.651 -0.040 2.909 1.00 52.41 H new ATOM 0 HB1 ALA A 41 -6.301 -1.830 2.502 1.00 70.51 H new ATOM 0 HB2 ALA A 41 -6.041 -1.552 4.240 1.00 70.51 H new ATOM 0 HB3 ALA A 41 -7.506 -0.925 3.448 1.00 70.51 H new ATOM 642 N ILE A 42 -5.266 1.279 0.905 1.00 22.34 N ATOM 643 CA ILE A 42 -5.583 1.882 -0.385 1.00 53.41 C ATOM 644 C ILE A 42 -4.646 1.346 -1.459 1.00 52.13 C ATOM 645 O ILE A 42 -3.723 0.586 -1.161 1.00 2.44 O ATOM 646 CB ILE A 42 -5.470 3.423 -0.344 1.00 71.41 C ATOM 647 CG1 ILE A 42 -4.066 3.843 0.103 1.00 51.22 C ATOM 648 CG2 ILE A 42 -6.532 4.012 0.578 1.00 33.30 C ATOM 649 CD1 ILE A 42 -3.841 5.340 0.079 1.00 23.01 C ATOM 0 H ILE A 42 -4.275 1.303 1.147 1.00 22.34 H new ATOM 0 HA ILE A 42 -6.614 1.618 -0.619 1.00 53.41 H new ATOM 0 HB ILE A 42 -5.639 3.812 -1.348 1.00 71.41 H new ATOM 0 HG12 ILE A 42 -3.891 3.475 1.114 1.00 51.22 H new ATOM 0 HG13 ILE A 42 -3.330 3.364 -0.543 1.00 51.22 H new ATOM 0 HG21 ILE A 42 -6.438 5.098 0.595 1.00 33.30 H new ATOM 0 HG22 ILE A 42 -7.522 3.739 0.213 1.00 33.30 H new ATOM 0 HG23 ILE A 42 -6.396 3.620 1.586 1.00 33.30 H new ATOM 0 HD11 ILE A 42 -2.825 5.561 0.408 1.00 23.01 H new ATOM 0 HD12 ILE A 42 -3.983 5.713 -0.935 1.00 23.01 H new ATOM 0 HD13 ILE A 42 -4.552 5.826 0.747 1.00 23.01 H new ATOM 661 N SER A 43 -4.870 1.744 -2.701 1.00 40.51 N ATOM 662 CA SER A 43 -4.026 1.307 -3.805 1.00 22.41 C ATOM 663 C SER A 43 -2.740 2.131 -3.864 1.00 62.33 C ATOM 664 O SER A 43 -2.421 2.741 -4.883 1.00 64.03 O ATOM 665 CB SER A 43 -4.788 1.417 -5.127 1.00 52.23 C ATOM 666 OG SER A 43 -5.982 0.657 -5.088 1.00 33.14 O ATOM 0 H SER A 43 -5.629 2.369 -2.972 1.00 40.51 H new ATOM 0 HA SER A 43 -3.756 0.264 -3.639 1.00 22.41 H new ATOM 0 HB2 SER A 43 -5.024 2.462 -5.329 1.00 52.23 H new ATOM 0 HB3 SER A 43 -4.157 1.069 -5.945 1.00 52.23 H new ATOM 0 HG SER A 43 -6.602 1.054 -4.441 1.00 33.14 H new ATOM 672 N ASN A 44 -1.999 2.136 -2.766 1.00 33.14 N ATOM 673 CA ASN A 44 -0.753 2.894 -2.688 1.00 55.34 C ATOM 674 C ASN A 44 0.396 2.046 -3.212 1.00 55.21 C ATOM 675 O ASN A 44 1.230 1.548 -2.456 1.00 14.03 O ATOM 676 CB ASN A 44 -0.492 3.341 -1.247 1.00 13.42 C ATOM 677 CG ASN A 44 0.667 4.314 -1.132 1.00 73.50 C ATOM 678 OD1 ASN A 44 1.808 3.919 -0.905 1.00 12.23 O ATOM 679 ND2 ASN A 44 0.378 5.599 -1.278 1.00 3.13 N ATOM 0 H ASN A 44 -2.236 1.625 -1.916 1.00 33.14 H new ATOM 0 HA ASN A 44 -0.836 3.788 -3.307 1.00 55.34 H new ATOM 0 HB2 ASN A 44 -1.393 3.808 -0.848 1.00 13.42 H new ATOM 0 HB3 ASN A 44 -0.287 2.465 -0.632 1.00 13.42 H new ATOM 0 HD21 ASN A 44 1.116 6.299 -1.203 1.00 3.13 H new ATOM 0 HD22 ASN A 44 -0.582 5.888 -1.466 1.00 3.13 H new ATOM 686 N ILE A 45 0.400 1.850 -4.521 1.00 61.32 N ATOM 687 CA ILE A 45 1.365 0.975 -5.165 1.00 23.31 C ATOM 688 C ILE A 45 2.111 1.733 -6.248 1.00 61.15 C ATOM 689 O ILE A 45 1.530 2.575 -6.932 1.00 22.42 O ATOM 690 CB ILE A 45 0.670 -0.243 -5.820 1.00 4.03 C ATOM 691 CG1 ILE A 45 -0.386 -0.843 -4.885 1.00 42.34 C ATOM 692 CG2 ILE A 45 1.695 -1.301 -6.213 1.00 5.35 C ATOM 693 CD1 ILE A 45 0.167 -1.347 -3.572 1.00 4.50 C ATOM 0 H ILE A 45 -0.260 2.289 -5.162 1.00 61.32 H new ATOM 0 HA ILE A 45 2.054 0.626 -4.396 1.00 23.31 H new ATOM 0 HB ILE A 45 0.167 0.104 -6.722 1.00 4.03 H new ATOM 0 HG12 ILE A 45 -1.146 -0.089 -4.681 1.00 42.34 H new ATOM 0 HG13 ILE A 45 -0.884 -1.666 -5.397 1.00 42.34 H new ATOM 0 HG21 ILE A 45 1.186 -2.149 -6.672 1.00 5.35 H new ATOM 0 HG22 ILE A 45 2.403 -0.875 -6.924 1.00 5.35 H new ATOM 0 HG23 ILE A 45 2.230 -1.637 -5.325 1.00 5.35 H new ATOM 0 HD11 ILE A 45 -0.644 -1.756 -2.969 1.00 4.50 H new ATOM 0 HD12 ILE A 45 0.905 -2.126 -3.763 1.00 4.50 H new ATOM 0 HD13 ILE A 45 0.639 -0.524 -3.036 1.00 4.50 H new ATOM 705 N ASP A 46 3.392 1.447 -6.395 1.00 33.42 N ATOM 706 CA ASP A 46 4.164 2.018 -7.485 1.00 50.41 C ATOM 707 C ASP A 46 4.093 1.085 -8.685 1.00 34.32 C ATOM 708 O ASP A 46 4.552 -0.058 -8.618 1.00 63.42 O ATOM 709 CB ASP A 46 5.618 2.236 -7.071 1.00 43.13 C ATOM 710 CG ASP A 46 6.382 3.091 -8.069 1.00 1.32 C ATOM 711 OD1 ASP A 46 6.547 2.662 -9.228 1.00 52.23 O ATOM 712 OD2 ASP A 46 6.804 4.205 -7.695 1.00 31.33 O ATOM 0 H ASP A 46 3.917 0.827 -5.778 1.00 33.42 H new ATOM 0 HA ASP A 46 3.744 2.989 -7.747 1.00 50.41 H new ATOM 0 HB2 ASP A 46 5.646 2.713 -6.091 1.00 43.13 H new ATOM 0 HB3 ASP A 46 6.113 1.270 -6.970 1.00 43.13 H new ATOM 717 N PRO A 47 3.507 1.553 -9.794 1.00 12.53 N ATOM 718 CA PRO A 47 3.296 0.736 -10.996 1.00 4.21 C ATOM 719 C PRO A 47 4.599 0.246 -11.624 1.00 23.40 C ATOM 720 O PRO A 47 4.593 -0.692 -12.424 1.00 75.14 O ATOM 721 CB PRO A 47 2.566 1.681 -11.957 1.00 60.42 C ATOM 722 CG PRO A 47 2.006 2.753 -11.090 1.00 15.21 C ATOM 723 CD PRO A 47 2.987 2.918 -9.969 1.00 40.43 C ATOM 0 HA PRO A 47 2.741 -0.172 -10.762 1.00 4.21 H new ATOM 0 HB2 PRO A 47 3.248 2.091 -12.701 1.00 60.42 H new ATOM 0 HB3 PRO A 47 1.777 1.160 -12.500 1.00 60.42 H new ATOM 0 HG2 PRO A 47 1.885 3.683 -11.645 1.00 15.21 H new ATOM 0 HG3 PRO A 47 1.022 2.477 -10.712 1.00 15.21 H new ATOM 0 HD2 PRO A 47 3.778 3.624 -10.223 1.00 40.43 H new ATOM 0 HD3 PRO A 47 2.508 3.289 -9.063 1.00 40.43 H new ATOM 731 N PHE A 48 5.711 0.866 -11.257 1.00 30.43 N ATOM 732 CA PHE A 48 6.999 0.500 -11.823 1.00 3.31 C ATOM 733 C PHE A 48 7.784 -0.377 -10.846 1.00 70.53 C ATOM 734 O PHE A 48 8.870 -0.865 -11.163 1.00 50.54 O ATOM 735 CB PHE A 48 7.790 1.764 -12.174 1.00 2.45 C ATOM 736 CG PHE A 48 8.912 1.526 -13.143 1.00 25.43 C ATOM 737 CD1 PHE A 48 8.641 1.183 -14.458 1.00 50.10 C ATOM 738 CD2 PHE A 48 10.231 1.652 -12.746 1.00 73.34 C ATOM 739 CE1 PHE A 48 9.666 0.968 -15.358 1.00 40.41 C ATOM 740 CE2 PHE A 48 11.259 1.438 -13.642 1.00 14.11 C ATOM 741 CZ PHE A 48 10.977 1.096 -14.949 1.00 23.44 C ATOM 0 H PHE A 48 5.747 1.622 -10.573 1.00 30.43 H new ATOM 0 HA PHE A 48 6.835 -0.075 -12.735 1.00 3.31 H new ATOM 0 HB2 PHE A 48 7.108 2.503 -12.596 1.00 2.45 H new ATOM 0 HB3 PHE A 48 8.198 2.193 -11.258 1.00 2.45 H new ATOM 0 HD1 PHE A 48 7.616 1.083 -14.783 1.00 50.10 H new ATOM 0 HD2 PHE A 48 10.459 1.920 -11.725 1.00 73.34 H new ATOM 0 HE1 PHE A 48 9.442 0.700 -16.380 1.00 40.41 H new ATOM 0 HE2 PHE A 48 12.285 1.538 -13.320 1.00 14.11 H new ATOM 0 HZ PHE A 48 11.781 0.929 -15.650 1.00 23.44 H new ATOM 751 N ALA A 49 7.216 -0.590 -9.664 1.00 22.41 N ATOM 752 CA ALA A 49 7.876 -1.380 -8.630 1.00 33.03 C ATOM 753 C ALA A 49 7.057 -2.620 -8.287 1.00 42.44 C ATOM 754 O ALA A 49 7.598 -3.612 -7.793 1.00 43.45 O ATOM 755 CB ALA A 49 8.108 -0.537 -7.386 1.00 11.22 C ATOM 0 H ALA A 49 6.301 -0.227 -9.398 1.00 22.41 H new ATOM 0 HA ALA A 49 8.842 -1.706 -9.016 1.00 33.03 H new ATOM 0 HB1 ALA A 49 8.601 -1.141 -6.624 1.00 11.22 H new ATOM 0 HB2 ALA A 49 8.738 0.316 -7.637 1.00 11.22 H new ATOM 0 HB3 ALA A 49 7.151 -0.181 -7.004 1.00 11.22 H new ATOM 761 N GLN A 50 5.748 -2.536 -8.533 1.00 65.21 N ATOM 762 CA GLN A 50 4.818 -3.648 -8.315 1.00 61.21 C ATOM 763 C GLN A 50 4.654 -3.929 -6.814 1.00 34.45 C ATOM 764 O GLN A 50 4.201 -5.001 -6.409 1.00 5.21 O ATOM 765 CB GLN A 50 5.304 -4.908 -9.052 1.00 42.12 C ATOM 766 CG GLN A 50 4.200 -5.903 -9.390 1.00 2.24 C ATOM 767 CD GLN A 50 3.325 -5.442 -10.542 1.00 22.23 C ATOM 768 OE1 GLN A 50 3.632 -5.705 -11.705 1.00 13.32 O ATOM 769 NE2 GLN A 50 2.221 -4.776 -10.237 1.00 33.01 N ATOM 0 H GLN A 50 5.301 -1.692 -8.890 1.00 65.21 H new ATOM 0 HA GLN A 50 3.845 -3.367 -8.718 1.00 61.21 H new ATOM 0 HB2 GLN A 50 5.800 -4.606 -9.975 1.00 42.12 H new ATOM 0 HB3 GLN A 50 6.052 -5.408 -8.437 1.00 42.12 H new ATOM 0 HG2 GLN A 50 4.648 -6.864 -9.642 1.00 2.24 H new ATOM 0 HG3 GLN A 50 3.579 -6.062 -8.509 1.00 2.24 H new ATOM 0 HE21 GLN A 50 1.999 -4.576 -9.262 1.00 33.01 H new ATOM 0 HE22 GLN A 50 1.593 -4.463 -10.977 1.00 33.01 H new ATOM 778 N ALA A 51 5.006 -2.943 -6.001 1.00 1.05 N ATOM 779 CA ALA A 51 4.940 -3.054 -4.546 1.00 3.35 C ATOM 780 C ALA A 51 4.751 -1.678 -3.936 1.00 13.53 C ATOM 781 O ALA A 51 4.870 -0.660 -4.628 1.00 23.50 O ATOM 782 CB ALA A 51 6.210 -3.702 -4.008 1.00 64.11 C ATOM 0 H ALA A 51 5.347 -2.040 -6.330 1.00 1.05 H new ATOM 0 HA ALA A 51 4.091 -3.682 -4.275 1.00 3.35 H new ATOM 0 HB1 ALA A 51 6.148 -3.779 -2.922 1.00 64.11 H new ATOM 0 HB2 ALA A 51 6.320 -4.698 -4.436 1.00 64.11 H new ATOM 0 HB3 ALA A 51 7.072 -3.093 -4.280 1.00 64.11 H new ATOM 788 N SER A 52 4.453 -1.645 -2.654 1.00 64.02 N ATOM 789 CA SER A 52 4.245 -0.396 -1.960 1.00 1.03 C ATOM 790 C SER A 52 5.575 0.197 -1.501 1.00 2.31 C ATOM 791 O SER A 52 6.021 -0.021 -0.373 1.00 10.12 O ATOM 792 CB SER A 52 3.304 -0.617 -0.781 1.00 12.21 C ATOM 793 OG SER A 52 3.671 -1.780 -0.056 1.00 71.12 O ATOM 0 H SER A 52 4.349 -2.475 -2.071 1.00 64.02 H new ATOM 0 HA SER A 52 3.787 0.319 -2.643 1.00 1.03 H new ATOM 0 HB2 SER A 52 3.329 0.251 -0.122 1.00 12.21 H new ATOM 0 HB3 SER A 52 2.280 -0.715 -1.141 1.00 12.21 H new ATOM 0 HG SER A 52 4.619 -1.728 0.187 1.00 71.12 H new ATOM 799 N VAL A 53 6.232 0.907 -2.403 1.00 74.44 N ATOM 800 CA VAL A 53 7.466 1.603 -2.065 1.00 74.45 C ATOM 801 C VAL A 53 7.165 3.060 -1.747 1.00 73.03 C ATOM 802 O VAL A 53 8.010 3.792 -1.232 1.00 73.33 O ATOM 803 CB VAL A 53 8.516 1.524 -3.195 1.00 64.23 C ATOM 804 CG1 VAL A 53 8.923 0.079 -3.444 1.00 2.10 C ATOM 805 CG2 VAL A 53 7.991 2.161 -4.474 1.00 60.40 C ATOM 0 H VAL A 53 5.934 1.018 -3.372 1.00 74.44 H new ATOM 0 HA VAL A 53 7.889 1.107 -1.191 1.00 74.45 H new ATOM 0 HB VAL A 53 9.397 2.082 -2.878 1.00 64.23 H new ATOM 0 HG11 VAL A 53 9.663 0.042 -4.243 1.00 2.10 H new ATOM 0 HG12 VAL A 53 9.351 -0.341 -2.533 1.00 2.10 H new ATOM 0 HG13 VAL A 53 8.047 -0.501 -3.734 1.00 2.10 H new ATOM 0 HG21 VAL A 53 8.750 2.092 -5.253 1.00 60.40 H new ATOM 0 HG22 VAL A 53 7.090 1.639 -4.797 1.00 60.40 H new ATOM 0 HG23 VAL A 53 7.756 3.209 -4.289 1.00 60.40 H new ATOM 815 N LEU A 54 5.939 3.465 -2.050 1.00 14.33 N ATOM 816 CA LEU A 54 5.474 4.813 -1.759 1.00 13.44 C ATOM 817 C LEU A 54 5.307 4.983 -0.251 1.00 1.33 C ATOM 818 O LEU A 54 5.467 6.074 0.292 1.00 51.10 O ATOM 819 CB LEU A 54 4.138 5.069 -2.467 1.00 32.14 C ATOM 820 CG LEU A 54 4.102 4.723 -3.959 1.00 52.43 C ATOM 821 CD1 LEU A 54 2.715 4.976 -4.524 1.00 70.02 C ATOM 822 CD2 LEU A 54 5.137 5.526 -4.729 1.00 43.04 C ATOM 0 H LEU A 54 5.243 2.872 -2.502 1.00 14.33 H new ATOM 0 HA LEU A 54 6.208 5.533 -2.121 1.00 13.44 H new ATOM 0 HB2 LEU A 54 3.363 4.494 -1.960 1.00 32.14 H new ATOM 0 HB3 LEU A 54 3.881 6.122 -2.350 1.00 32.14 H new ATOM 0 HG LEU A 54 4.342 3.665 -4.068 1.00 52.43 H new ATOM 0 HD11 LEU A 54 2.703 4.726 -5.585 1.00 70.02 H new ATOM 0 HD12 LEU A 54 1.989 4.357 -3.997 1.00 70.02 H new ATOM 0 HD13 LEU A 54 2.456 6.027 -4.396 1.00 70.02 H new ATOM 0 HD21 LEU A 54 5.091 5.261 -5.785 1.00 43.04 H new ATOM 0 HD22 LEU A 54 4.932 6.590 -4.612 1.00 43.04 H new ATOM 0 HD23 LEU A 54 6.132 5.303 -4.343 1.00 43.04 H new ATOM 834 N SER A 55 5.019 3.871 0.411 1.00 22.42 N ATOM 835 CA SER A 55 4.755 3.849 1.840 1.00 31.23 C ATOM 836 C SER A 55 6.036 3.662 2.652 1.00 1.25 C ATOM 837 O SER A 55 5.993 3.514 3.874 1.00 33.31 O ATOM 838 CB SER A 55 3.786 2.708 2.135 1.00 33.21 C ATOM 839 OG SER A 55 4.170 1.532 1.442 1.00 31.04 O ATOM 0 H SER A 55 4.962 2.954 -0.032 1.00 22.42 H new ATOM 0 HA SER A 55 4.324 4.807 2.130 1.00 31.23 H new ATOM 0 HB2 SER A 55 3.762 2.513 3.207 1.00 33.21 H new ATOM 0 HB3 SER A 55 2.777 2.996 1.841 1.00 33.21 H new ATOM 0 HG SER A 55 3.900 0.745 1.959 1.00 31.04 H new ATOM 845 N ARG A 56 7.177 3.670 1.980 1.00 13.04 N ATOM 846 CA ARG A 56 8.442 3.437 2.658 1.00 72.03 C ATOM 847 C ARG A 56 9.251 4.728 2.737 1.00 45.50 C ATOM 848 O ARG A 56 10.453 4.715 3.019 1.00 64.12 O ATOM 849 CB ARG A 56 9.237 2.350 1.933 1.00 62.23 C ATOM 850 CG ARG A 56 10.300 1.680 2.793 1.00 12.23 C ATOM 851 CD ARG A 56 9.696 0.758 3.848 1.00 64.53 C ATOM 852 NE ARG A 56 8.900 1.473 4.853 1.00 14.31 N ATOM 853 CZ ARG A 56 8.769 1.077 6.121 1.00 34.33 C ATOM 854 NH1 ARG A 56 9.385 -0.021 6.541 1.00 42.04 N ATOM 855 NH2 ARG A 56 8.012 1.776 6.963 1.00 4.34 N ATOM 0 H ARG A 56 7.253 3.834 0.976 1.00 13.04 H new ATOM 0 HA ARG A 56 8.236 3.099 3.674 1.00 72.03 H new ATOM 0 HB2 ARG A 56 8.545 1.589 1.571 1.00 62.23 H new ATOM 0 HB3 ARG A 56 9.716 2.788 1.057 1.00 62.23 H new ATOM 0 HG2 ARG A 56 10.972 1.107 2.155 1.00 12.23 H new ATOM 0 HG3 ARG A 56 10.902 2.445 3.284 1.00 12.23 H new ATOM 0 HD2 ARG A 56 9.067 0.016 3.356 1.00 64.53 H new ATOM 0 HD3 ARG A 56 10.498 0.214 4.348 1.00 64.53 H new ATOM 0 HE ARG A 56 8.418 2.324 4.565 1.00 14.31 H new ATOM 0 HH11 ARG A 56 9.959 -0.563 5.895 1.00 42.04 H new ATOM 0 HH12 ARG A 56 9.285 -0.323 7.510 1.00 42.04 H new ATOM 0 HH21 ARG A 56 7.531 2.615 6.640 1.00 4.34 H new ATOM 0 HH22 ARG A 56 7.913 1.472 7.932 1.00 4.34 H new ATOM 869 N GLY A 57 8.580 5.842 2.494 1.00 23.13 N ATOM 870 CA GLY A 57 9.238 7.128 2.552 1.00 63.32 C ATOM 871 C GLY A 57 9.043 7.813 3.887 1.00 14.24 C ATOM 872 O GLY A 57 8.942 7.156 4.923 1.00 73.32 O ATOM 0 H GLY A 57 7.589 5.878 2.257 1.00 23.13 H new ATOM 0 HA2 GLY A 57 10.304 6.997 2.366 1.00 63.32 H new ATOM 0 HA3 GLY A 57 8.852 7.767 1.758 1.00 63.32 H new ATOM 876 N ILE A 58 8.987 9.132 3.863 1.00 73.44 N ATOM 877 CA ILE A 58 8.814 9.906 5.080 1.00 23.41 C ATOM 878 C ILE A 58 7.352 10.268 5.276 1.00 35.52 C ATOM 879 O ILE A 58 6.748 10.946 4.442 1.00 40.54 O ATOM 880 CB ILE A 58 9.671 11.194 5.059 1.00 35.10 C ATOM 881 CG1 ILE A 58 11.158 10.845 4.914 1.00 74.04 C ATOM 882 CG2 ILE A 58 9.436 12.023 6.318 1.00 61.13 C ATOM 883 CD1 ILE A 58 11.699 9.972 6.028 1.00 71.23 C ATOM 0 H ILE A 58 9.059 9.691 3.013 1.00 73.44 H new ATOM 0 HA ILE A 58 9.148 9.286 5.912 1.00 23.41 H new ATOM 0 HB ILE A 58 9.369 11.791 4.199 1.00 35.10 H new ATOM 0 HG12 ILE A 58 11.310 10.337 3.962 1.00 74.04 H new ATOM 0 HG13 ILE A 58 11.735 11.769 4.878 1.00 74.04 H new ATOM 0 HG21 ILE A 58 10.049 12.923 6.281 1.00 61.13 H new ATOM 0 HG22 ILE A 58 8.384 12.303 6.378 1.00 61.13 H new ATOM 0 HG23 ILE A 58 9.706 11.436 7.196 1.00 61.13 H new ATOM 0 HD11 ILE A 58 12.756 9.771 5.852 1.00 71.23 H new ATOM 0 HD12 ILE A 58 11.582 10.485 6.982 1.00 71.23 H new ATOM 0 HD13 ILE A 58 11.150 9.031 6.052 1.00 71.23 H new ATOM 895 N VAL A 59 6.786 9.784 6.368 1.00 1.30 N ATOM 896 CA VAL A 59 5.422 10.105 6.730 1.00 11.43 C ATOM 897 C VAL A 59 5.340 11.562 7.164 1.00 40.32 C ATOM 898 O VAL A 59 5.740 11.922 8.271 1.00 32.24 O ATOM 899 CB VAL A 59 4.910 9.187 7.858 1.00 10.44 C ATOM 900 CG1 VAL A 59 3.494 9.567 8.270 1.00 42.35 C ATOM 901 CG2 VAL A 59 4.966 7.731 7.424 1.00 40.52 C ATOM 0 H VAL A 59 7.258 9.161 7.023 1.00 1.30 H new ATOM 0 HA VAL A 59 4.788 9.946 5.857 1.00 11.43 H new ATOM 0 HB VAL A 59 5.560 9.318 8.723 1.00 10.44 H new ATOM 0 HG11 VAL A 59 3.157 8.904 9.067 1.00 42.35 H new ATOM 0 HG12 VAL A 59 3.483 10.597 8.626 1.00 42.35 H new ATOM 0 HG13 VAL A 59 2.828 9.472 7.413 1.00 42.35 H new ATOM 0 HG21 VAL A 59 4.601 7.096 8.232 1.00 40.52 H new ATOM 0 HG22 VAL A 59 4.342 7.590 6.542 1.00 40.52 H new ATOM 0 HG23 VAL A 59 5.995 7.461 7.187 1.00 40.52 H new ATOM 911 N ALA A 60 4.853 12.391 6.262 1.00 62.43 N ATOM 912 CA ALA A 60 4.766 13.821 6.495 1.00 63.34 C ATOM 913 C ALA A 60 3.382 14.199 6.994 1.00 25.51 C ATOM 914 O ALA A 60 2.403 14.148 6.248 1.00 11.11 O ATOM 915 CB ALA A 60 5.100 14.587 5.223 1.00 11.40 C ATOM 0 H ALA A 60 4.507 12.095 5.349 1.00 62.43 H new ATOM 0 HA ALA A 60 5.492 14.089 7.263 1.00 63.34 H new ATOM 0 HB1 ALA A 60 5.030 15.658 5.414 1.00 11.40 H new ATOM 0 HB2 ALA A 60 6.113 14.340 4.905 1.00 11.40 H new ATOM 0 HB3 ALA A 60 4.396 14.312 4.437 1.00 11.40 H new ATOM 921 N GLU A 61 3.300 14.562 8.259 1.00 11.24 N ATOM 922 CA GLU A 61 2.049 14.964 8.854 1.00 1.25 C ATOM 923 C GLU A 61 1.831 16.449 8.665 1.00 74.45 C ATOM 924 O GLU A 61 2.700 17.263 8.973 1.00 11.43 O ATOM 925 CB GLU A 61 2.036 14.600 10.331 1.00 34.12 C ATOM 926 CG GLU A 61 1.825 13.122 10.567 1.00 41.25 C ATOM 927 CD GLU A 61 2.106 12.711 11.998 1.00 72.41 C ATOM 928 OE1 GLU A 61 1.221 12.900 12.857 1.00 74.25 O ATOM 929 OE2 GLU A 61 3.216 12.204 12.269 1.00 74.33 O ATOM 0 H GLU A 61 4.096 14.585 8.897 1.00 11.24 H new ATOM 0 HA GLU A 61 1.234 14.435 8.360 1.00 1.25 H new ATOM 0 HB2 GLU A 61 2.979 14.905 10.784 1.00 34.12 H new ATOM 0 HB3 GLU A 61 1.246 15.160 10.832 1.00 34.12 H new ATOM 0 HG2 GLU A 61 0.797 12.861 10.314 1.00 41.25 H new ATOM 0 HG3 GLU A 61 2.472 12.556 9.897 1.00 41.25 H new ATOM 936 N HIS A 62 0.667 16.792 8.160 1.00 24.41 N ATOM 937 CA HIS A 62 0.360 18.173 7.839 1.00 52.23 C ATOM 938 C HIS A 62 -0.645 18.718 8.845 1.00 35.13 C ATOM 939 O HIS A 62 -1.623 19.368 8.474 1.00 54.42 O ATOM 940 CB HIS A 62 -0.179 18.267 6.408 1.00 21.12 C ATOM 941 CG HIS A 62 -0.105 19.643 5.818 1.00 41.24 C ATOM 942 ND1 HIS A 62 1.087 20.175 5.389 1.00 43.10 N ATOM 943 CD2 HIS A 62 -1.092 20.547 5.607 1.00 45.12 C ATOM 944 CE1 HIS A 62 0.800 21.381 4.928 1.00 35.43 C ATOM 945 NE2 HIS A 62 -0.506 21.648 5.040 1.00 64.21 N ATOM 0 H HIS A 62 -0.086 16.134 7.961 1.00 24.41 H new ATOM 0 HA HIS A 62 1.266 18.776 7.898 1.00 52.23 H new ATOM 0 HB2 HIS A 62 0.381 17.580 5.774 1.00 21.12 H new ATOM 0 HB3 HIS A 62 -1.217 17.934 6.399 1.00 21.12 H new ATOM 0 HD2 HIS A 62 -2.139 20.423 5.841 1.00 45.12 H new ATOM 0 HE1 HIS A 62 1.527 22.063 4.514 1.00 35.43 H new ATOM 0 HE2 HIS A 62 -0.976 22.508 4.757 1.00 64.21 H new ATOM 953 N GLN A 63 -0.380 18.433 10.123 1.00 62.14 N ATOM 954 CA GLN A 63 -1.222 18.876 11.241 1.00 4.14 C ATOM 955 C GLN A 63 -2.566 18.155 11.236 1.00 5.34 C ATOM 956 O GLN A 63 -2.855 17.353 12.121 1.00 34.35 O ATOM 957 CB GLN A 63 -1.447 20.400 11.217 1.00 55.33 C ATOM 958 CG GLN A 63 -0.231 21.239 11.603 1.00 61.30 C ATOM 959 CD GLN A 63 0.969 21.023 10.701 1.00 51.55 C ATOM 960 OE1 GLN A 63 1.847 20.211 10.995 1.00 1.42 O ATOM 961 NE2 GLN A 63 0.997 21.716 9.576 1.00 71.22 N ATOM 0 H GLN A 63 0.430 17.885 10.414 1.00 62.14 H new ATOM 0 HA GLN A 63 -0.689 18.624 12.158 1.00 4.14 H new ATOM 0 HB2 GLN A 63 -1.766 20.689 10.216 1.00 55.33 H new ATOM 0 HB3 GLN A 63 -2.266 20.642 11.894 1.00 55.33 H new ATOM 0 HG2 GLN A 63 -0.506 22.293 11.581 1.00 61.30 H new ATOM 0 HG3 GLN A 63 0.050 21.005 12.630 1.00 61.30 H new ATOM 0 HE21 GLN A 63 0.251 22.380 9.367 1.00 71.22 H new ATOM 0 HE22 GLN A 63 1.764 21.587 8.917 1.00 71.22 H new ATOM 970 N ASP A 64 -3.373 18.433 10.227 1.00 45.50 N ATOM 971 CA ASP A 64 -4.712 17.873 10.144 1.00 4.12 C ATOM 972 C ASP A 64 -4.729 16.629 9.265 1.00 41.15 C ATOM 973 O ASP A 64 -5.335 15.619 9.621 1.00 60.34 O ATOM 974 CB ASP A 64 -5.687 18.917 9.597 1.00 43.20 C ATOM 975 CG ASP A 64 -7.127 18.460 9.672 1.00 54.00 C ATOM 976 OD1 ASP A 64 -7.704 18.487 10.782 1.00 12.11 O ATOM 977 OD2 ASP A 64 -7.701 18.104 8.626 1.00 4.15 O ATOM 0 H ASP A 64 -3.124 19.046 9.451 1.00 45.50 H new ATOM 0 HA ASP A 64 -5.024 17.586 11.148 1.00 4.12 H new ATOM 0 HB2 ASP A 64 -5.574 19.844 10.158 1.00 43.20 H new ATOM 0 HB3 ASP A 64 -5.433 19.139 8.560 1.00 43.20 H new ATOM 982 N ASP A 65 -4.051 16.697 8.127 1.00 11.30 N ATOM 983 CA ASP A 65 -4.039 15.584 7.182 1.00 73.21 C ATOM 984 C ASP A 65 -2.768 14.752 7.355 1.00 45.12 C ATOM 985 O ASP A 65 -1.868 15.126 8.113 1.00 21.20 O ATOM 986 CB ASP A 65 -4.143 16.104 5.741 1.00 55.43 C ATOM 987 CG ASP A 65 -4.838 15.121 4.809 1.00 5.11 C ATOM 988 OD1 ASP A 65 -4.288 14.030 4.560 1.00 65.03 O ATOM 989 OD2 ASP A 65 -5.947 15.443 4.336 1.00 13.31 O ATOM 0 H ASP A 65 -3.504 17.507 7.835 1.00 11.30 H new ATOM 0 HA ASP A 65 -4.901 14.949 7.385 1.00 73.21 H new ATOM 0 HB2 ASP A 65 -4.688 17.048 5.738 1.00 55.43 H new ATOM 0 HB3 ASP A 65 -3.143 16.313 5.362 1.00 55.43 H new ATOM 994 N LEU A 66 -2.689 13.646 6.630 1.00 61.33 N ATOM 995 CA LEU A 66 -1.593 12.698 6.771 1.00 71.34 C ATOM 996 C LEU A 66 -1.046 12.330 5.397 1.00 44.01 C ATOM 997 O LEU A 66 -1.761 11.777 4.561 1.00 43.24 O ATOM 998 CB LEU A 66 -2.066 11.435 7.502 1.00 63.03 C ATOM 999 CG LEU A 66 -2.618 11.656 8.914 1.00 31.31 C ATOM 1000 CD1 LEU A 66 -3.133 10.348 9.496 1.00 61.53 C ATOM 1001 CD2 LEU A 66 -1.549 12.257 9.816 1.00 34.13 C ATOM 0 H LEU A 66 -3.381 13.381 5.929 1.00 61.33 H new ATOM 0 HA LEU A 66 -0.802 13.164 7.359 1.00 71.34 H new ATOM 0 HB2 LEU A 66 -2.838 10.956 6.900 1.00 63.03 H new ATOM 0 HB3 LEU A 66 -1.231 10.737 7.563 1.00 63.03 H new ATOM 0 HG LEU A 66 -3.451 12.357 8.853 1.00 31.31 H new ATOM 0 HD11 LEU A 66 -3.521 10.524 10.499 1.00 61.53 H new ATOM 0 HD12 LEU A 66 -3.929 9.956 8.862 1.00 61.53 H new ATOM 0 HD13 LEU A 66 -2.318 9.625 9.544 1.00 61.53 H new ATOM 0 HD21 LEU A 66 -1.958 12.407 10.815 1.00 34.13 H new ATOM 0 HD22 LEU A 66 -0.697 11.580 9.871 1.00 34.13 H new ATOM 0 HD23 LEU A 66 -1.226 13.215 9.409 1.00 34.13 H new ATOM 1013 N TRP A 67 0.220 12.632 5.169 1.00 15.32 N ATOM 1014 CA TRP A 67 0.826 12.430 3.866 1.00 54.24 C ATOM 1015 C TRP A 67 2.060 11.548 3.981 1.00 71.30 C ATOM 1016 O TRP A 67 2.572 11.316 5.076 1.00 62.11 O ATOM 1017 CB TRP A 67 1.218 13.779 3.251 1.00 73.43 C ATOM 1018 CG TRP A 67 0.098 14.778 3.216 1.00 61.24 C ATOM 1019 CD1 TRP A 67 -0.377 15.515 4.263 1.00 4.14 C ATOM 1020 CD2 TRP A 67 -0.688 15.150 2.080 1.00 61.43 C ATOM 1021 NE1 TRP A 67 -1.401 16.325 3.845 1.00 12.31 N ATOM 1022 CE2 TRP A 67 -1.614 16.117 2.510 1.00 73.23 C ATOM 1023 CE3 TRP A 67 -0.698 14.761 0.740 1.00 2.31 C ATOM 1024 CZ2 TRP A 67 -2.540 16.699 1.651 1.00 13.13 C ATOM 1025 CZ3 TRP A 67 -1.618 15.339 -0.112 1.00 71.22 C ATOM 1026 CH2 TRP A 67 -2.527 16.299 0.345 1.00 54.33 C ATOM 0 H TRP A 67 0.850 13.019 5.872 1.00 15.32 H new ATOM 0 HA TRP A 67 0.097 11.937 3.223 1.00 54.24 H new ATOM 0 HB2 TRP A 67 2.049 14.199 3.818 1.00 73.43 H new ATOM 0 HB3 TRP A 67 1.577 13.614 2.235 1.00 73.43 H new ATOM 0 HD1 TRP A 67 -0.000 15.467 5.274 1.00 4.14 H new ATOM 0 HE1 TRP A 67 -1.920 16.977 4.434 1.00 12.31 H new ATOM 0 HE3 TRP A 67 0.001 14.022 0.376 1.00 2.31 H new ATOM 0 HZ2 TRP A 67 -3.243 17.439 2.003 1.00 13.13 H new ATOM 0 HZ3 TRP A 67 -1.636 15.044 -1.151 1.00 71.22 H new ATOM 0 HH2 TRP A 67 -3.232 16.732 -0.348 1.00 54.33 H new ATOM 1037 N VAL A 68 2.527 11.049 2.852 1.00 73.53 N ATOM 1038 CA VAL A 68 3.774 10.309 2.810 1.00 42.52 C ATOM 1039 C VAL A 68 4.620 10.768 1.623 1.00 44.23 C ATOM 1040 O VAL A 68 4.116 10.935 0.512 1.00 52.14 O ATOM 1041 CB VAL A 68 3.538 8.779 2.743 1.00 71.24 C ATOM 1042 CG1 VAL A 68 2.816 8.379 1.462 1.00 74.41 C ATOM 1043 CG2 VAL A 68 4.853 8.022 2.883 1.00 11.51 C ATOM 0 H VAL A 68 2.060 11.143 1.950 1.00 73.53 H new ATOM 0 HA VAL A 68 4.311 10.516 3.736 1.00 42.52 H new ATOM 0 HB VAL A 68 2.895 8.508 3.581 1.00 71.24 H new ATOM 0 HG11 VAL A 68 2.668 7.299 1.450 1.00 74.41 H new ATOM 0 HG12 VAL A 68 1.848 8.879 1.419 1.00 74.41 H new ATOM 0 HG13 VAL A 68 3.415 8.673 0.600 1.00 74.41 H new ATOM 0 HG21 VAL A 68 4.663 6.950 2.833 1.00 11.51 H new ATOM 0 HG22 VAL A 68 5.526 8.309 2.075 1.00 11.51 H new ATOM 0 HG23 VAL A 68 5.312 8.265 3.841 1.00 11.51 H new ATOM 1053 N ALA A 69 5.892 11.020 1.879 1.00 60.13 N ATOM 1054 CA ALA A 69 6.817 11.414 0.830 1.00 12.44 C ATOM 1055 C ALA A 69 7.546 10.192 0.294 1.00 12.15 C ATOM 1056 O ALA A 69 8.419 9.639 0.963 1.00 73.53 O ATOM 1057 CB ALA A 69 7.808 12.444 1.351 1.00 2.23 C ATOM 0 H ALA A 69 6.309 10.959 2.808 1.00 60.13 H new ATOM 0 HA ALA A 69 6.252 11.869 0.016 1.00 12.44 H new ATOM 0 HB1 ALA A 69 8.493 12.727 0.551 1.00 2.23 H new ATOM 0 HB2 ALA A 69 7.268 13.326 1.696 1.00 2.23 H new ATOM 0 HB3 ALA A 69 8.374 12.018 2.179 1.00 2.23 H new ATOM 1063 N SER A 70 7.169 9.766 -0.902 1.00 44.43 N ATOM 1064 CA SER A 70 7.749 8.579 -1.513 1.00 34.21 C ATOM 1065 C SER A 70 9.208 8.814 -1.895 1.00 54.02 C ATOM 1066 O SER A 70 9.544 9.839 -2.488 1.00 3.01 O ATOM 1067 CB SER A 70 6.945 8.178 -2.751 1.00 5.43 C ATOM 1068 OG SER A 70 7.569 7.110 -3.447 1.00 1.24 O ATOM 0 H SER A 70 6.460 10.228 -1.472 1.00 44.43 H new ATOM 0 HA SER A 70 7.713 7.771 -0.782 1.00 34.21 H new ATOM 0 HB2 SER A 70 5.939 7.883 -2.454 1.00 5.43 H new ATOM 0 HB3 SER A 70 6.842 9.037 -3.415 1.00 5.43 H new ATOM 0 HG SER A 70 7.929 6.465 -2.802 1.00 1.24 H new ATOM 1074 N PRO A 71 10.094 7.861 -1.563 1.00 31.14 N ATOM 1075 CA PRO A 71 11.515 7.956 -1.902 1.00 51.31 C ATOM 1076 C PRO A 71 11.758 7.773 -3.398 1.00 31.23 C ATOM 1077 O PRO A 71 12.692 8.337 -3.963 1.00 42.50 O ATOM 1078 CB PRO A 71 12.145 6.807 -1.110 1.00 43.33 C ATOM 1079 CG PRO A 71 11.045 5.818 -0.939 1.00 10.32 C ATOM 1080 CD PRO A 71 9.777 6.619 -0.835 1.00 65.41 C ATOM 0 HA PRO A 71 11.933 8.933 -1.660 1.00 51.31 H new ATOM 0 HB2 PRO A 71 12.989 6.372 -1.646 1.00 43.33 H new ATOM 0 HB3 PRO A 71 12.522 7.150 -0.147 1.00 43.33 H new ATOM 0 HG2 PRO A 71 11.004 5.131 -1.784 1.00 10.32 H new ATOM 0 HG3 PRO A 71 11.199 5.214 -0.045 1.00 10.32 H new ATOM 0 HD2 PRO A 71 8.933 6.095 -1.284 1.00 65.41 H new ATOM 0 HD3 PRO A 71 9.512 6.819 0.203 1.00 65.41 H new ATOM 1088 N LEU A 72 10.896 6.994 -4.035 1.00 14.42 N ATOM 1089 CA LEU A 72 11.033 6.705 -5.456 1.00 13.22 C ATOM 1090 C LEU A 72 10.290 7.732 -6.298 1.00 12.34 C ATOM 1091 O LEU A 72 10.751 8.123 -7.368 1.00 62.21 O ATOM 1092 CB LEU A 72 10.507 5.302 -5.781 1.00 41.44 C ATOM 1093 CG LEU A 72 11.460 4.138 -5.482 1.00 15.45 C ATOM 1094 CD1 LEU A 72 12.803 4.354 -6.165 1.00 4.40 C ATOM 1095 CD2 LEU A 72 11.641 3.946 -3.984 1.00 25.44 C ATOM 0 H LEU A 72 10.093 6.550 -3.590 1.00 14.42 H new ATOM 0 HA LEU A 72 12.095 6.753 -5.697 1.00 13.22 H new ATOM 0 HB2 LEU A 72 9.585 5.143 -5.221 1.00 41.44 H new ATOM 0 HB3 LEU A 72 10.247 5.270 -6.839 1.00 41.44 H new ATOM 0 HG LEU A 72 11.014 3.228 -5.883 1.00 15.45 H new ATOM 0 HD11 LEU A 72 13.464 3.517 -5.940 1.00 4.40 H new ATOM 0 HD12 LEU A 72 12.656 4.421 -7.243 1.00 4.40 H new ATOM 0 HD13 LEU A 72 13.251 5.279 -5.802 1.00 4.40 H new ATOM 0 HD21 LEU A 72 12.322 3.114 -3.803 1.00 25.44 H new ATOM 0 HD22 LEU A 72 12.055 4.855 -3.548 1.00 25.44 H new ATOM 0 HD23 LEU A 72 10.676 3.731 -3.525 1.00 25.44 H new ATOM 1107 N LYS A 73 9.135 8.160 -5.812 1.00 4.23 N ATOM 1108 CA LYS A 73 8.286 9.073 -6.564 1.00 31.54 C ATOM 1109 C LYS A 73 8.649 10.528 -6.284 1.00 25.42 C ATOM 1110 O LYS A 73 8.443 11.394 -7.132 1.00 41.20 O ATOM 1111 CB LYS A 73 6.820 8.829 -6.213 1.00 14.45 C ATOM 1112 CG LYS A 73 5.877 8.881 -7.405 1.00 3.32 C ATOM 1113 CD LYS A 73 5.832 7.552 -8.155 1.00 61.11 C ATOM 1114 CE LYS A 73 7.130 7.242 -8.886 1.00 71.31 C ATOM 1115 NZ LYS A 73 7.055 5.949 -9.622 1.00 1.14 N ATOM 0 H LYS A 73 8.764 7.890 -4.901 1.00 4.23 H new ATOM 0 HA LYS A 73 8.445 8.882 -7.625 1.00 31.54 H new ATOM 0 HB2 LYS A 73 6.730 7.854 -5.735 1.00 14.45 H new ATOM 0 HB3 LYS A 73 6.504 9.573 -5.481 1.00 14.45 H new ATOM 0 HG2 LYS A 73 4.875 9.139 -7.064 1.00 3.32 H new ATOM 0 HG3 LYS A 73 6.195 9.671 -8.085 1.00 3.32 H new ATOM 0 HD2 LYS A 73 5.617 6.749 -7.450 1.00 61.11 H new ATOM 0 HD3 LYS A 73 5.012 7.573 -8.873 1.00 61.11 H new ATOM 0 HE2 LYS A 73 7.354 8.047 -9.587 1.00 71.31 H new ATOM 0 HE3 LYS A 73 7.951 7.206 -8.170 1.00 71.31 H new ATOM 0 HZ1 LYS A 73 7.840 5.890 -10.302 1.00 1.14 H new ATOM 0 HZ2 LYS A 73 7.122 5.161 -8.947 1.00 1.14 H new ATOM 0 HZ3 LYS A 73 6.151 5.892 -10.132 1.00 1.14 H new ATOM 1129 N LYS A 74 9.180 10.781 -5.085 1.00 22.44 N ATOM 1130 CA LYS A 74 9.535 12.133 -4.642 1.00 11.32 C ATOM 1131 C LYS A 74 8.291 13.009 -4.505 1.00 61.25 C ATOM 1132 O LYS A 74 8.378 14.239 -4.530 1.00 31.42 O ATOM 1133 CB LYS A 74 10.533 12.788 -5.606 1.00 10.02 C ATOM 1134 CG LYS A 74 11.883 12.090 -5.673 1.00 22.44 C ATOM 1135 CD LYS A 74 12.810 12.790 -6.653 1.00 65.12 C ATOM 1136 CE LYS A 74 14.182 12.137 -6.702 1.00 33.10 C ATOM 1137 NZ LYS A 74 14.895 12.230 -5.401 1.00 11.31 N ATOM 0 H LYS A 74 9.376 10.056 -4.395 1.00 22.44 H new ATOM 0 HA LYS A 74 10.007 12.042 -3.664 1.00 11.32 H new ATOM 0 HB2 LYS A 74 10.097 12.808 -6.605 1.00 10.02 H new ATOM 0 HB3 LYS A 74 10.687 13.824 -5.304 1.00 10.02 H new ATOM 0 HG2 LYS A 74 12.339 12.076 -4.683 1.00 22.44 H new ATOM 0 HG3 LYS A 74 11.745 11.052 -5.975 1.00 22.44 H new ATOM 0 HD2 LYS A 74 12.365 12.774 -7.648 1.00 65.12 H new ATOM 0 HD3 LYS A 74 12.916 13.837 -6.368 1.00 65.12 H new ATOM 0 HE2 LYS A 74 14.074 11.089 -6.981 1.00 33.10 H new ATOM 0 HE3 LYS A 74 14.782 12.613 -7.478 1.00 33.10 H new ATOM 0 HZ1 LYS A 74 15.891 11.960 -5.531 1.00 11.31 H new ATOM 0 HZ2 LYS A 74 14.845 13.206 -5.047 1.00 11.31 H new ATOM 0 HZ3 LYS A 74 14.449 11.589 -4.714 1.00 11.31 H new ATOM 1151 N GLN A 75 7.140 12.372 -4.327 1.00 73.12 N ATOM 1152 CA GLN A 75 5.876 13.088 -4.220 1.00 21.33 C ATOM 1153 C GLN A 75 5.177 12.755 -2.906 1.00 60.01 C ATOM 1154 O GLN A 75 5.418 11.700 -2.314 1.00 2.34 O ATOM 1155 CB GLN A 75 4.960 12.745 -5.398 1.00 15.30 C ATOM 1156 CG GLN A 75 5.550 13.095 -6.752 1.00 41.01 C ATOM 1157 CD GLN A 75 4.589 12.831 -7.893 1.00 30.14 C ATOM 1158 OE1 GLN A 75 3.372 12.923 -7.733 1.00 60.45 O ATOM 1159 NE2 GLN A 75 5.129 12.499 -9.051 1.00 11.24 N ATOM 0 H GLN A 75 7.057 11.358 -4.254 1.00 73.12 H new ATOM 0 HA GLN A 75 6.092 14.156 -4.241 1.00 21.33 H new ATOM 0 HB2 GLN A 75 4.736 11.679 -5.374 1.00 15.30 H new ATOM 0 HB3 GLN A 75 4.014 13.272 -5.277 1.00 15.30 H new ATOM 0 HG2 GLN A 75 5.836 14.147 -6.759 1.00 41.01 H new ATOM 0 HG3 GLN A 75 6.461 12.516 -6.908 1.00 41.01 H new ATOM 0 HE21 GLN A 75 6.143 12.434 -9.141 1.00 11.24 H new ATOM 0 HE22 GLN A 75 4.532 12.308 -9.856 1.00 11.24 H new ATOM 1168 N HIS A 76 4.318 13.659 -2.452 1.00 33.34 N ATOM 1169 CA HIS A 76 3.563 13.463 -1.220 1.00 71.52 C ATOM 1170 C HIS A 76 2.184 12.888 -1.520 1.00 5.02 C ATOM 1171 O HIS A 76 1.367 13.526 -2.189 1.00 65.42 O ATOM 1172 CB HIS A 76 3.414 14.784 -0.463 1.00 1.22 C ATOM 1173 CG HIS A 76 4.715 15.394 -0.047 1.00 41.24 C ATOM 1174 ND1 HIS A 76 5.456 16.210 -0.868 1.00 55.31 N ATOM 1175 CD2 HIS A 76 5.405 15.304 1.113 1.00 75.43 C ATOM 1176 CE1 HIS A 76 6.544 16.601 -0.232 1.00 14.31 C ATOM 1177 NE2 HIS A 76 6.537 16.065 0.974 1.00 51.02 N ATOM 0 H HIS A 76 4.126 14.543 -2.923 1.00 33.34 H new ATOM 0 HA HIS A 76 4.114 12.757 -0.598 1.00 71.52 H new ATOM 0 HB2 HIS A 76 2.876 15.493 -1.092 1.00 1.22 H new ATOM 0 HB3 HIS A 76 2.802 14.616 0.424 1.00 1.22 H new ATOM 0 HD1 HIS A 76 5.204 16.473 -1.821 1.00 55.31 H new ATOM 0 HD2 HIS A 76 5.118 14.738 1.987 1.00 75.43 H new ATOM 0 HE1 HIS A 76 7.310 17.250 -0.631 1.00 14.31 H new ATOM 1186 N PHE A 77 1.932 11.688 -1.025 1.00 31.43 N ATOM 1187 CA PHE A 77 0.646 11.028 -1.218 1.00 62.14 C ATOM 1188 C PHE A 77 -0.221 11.161 0.030 1.00 4.33 C ATOM 1189 O PHE A 77 0.267 11.025 1.149 1.00 50.14 O ATOM 1190 CB PHE A 77 0.845 9.546 -1.557 1.00 12.33 C ATOM 1191 CG PHE A 77 1.490 9.306 -2.893 1.00 72.34 C ATOM 1192 CD1 PHE A 77 2.869 9.340 -3.029 1.00 61.20 C ATOM 1193 CD2 PHE A 77 0.717 9.042 -4.011 1.00 51.43 C ATOM 1194 CE1 PHE A 77 3.464 9.115 -4.256 1.00 25.42 C ATOM 1195 CE2 PHE A 77 1.306 8.816 -5.242 1.00 63.32 C ATOM 1196 CZ PHE A 77 2.682 8.853 -5.364 1.00 12.35 C ATOM 0 H PHE A 77 2.604 11.146 -0.482 1.00 31.43 H new ATOM 0 HA PHE A 77 0.140 11.516 -2.051 1.00 62.14 H new ATOM 0 HB2 PHE A 77 1.457 9.085 -0.782 1.00 12.33 H new ATOM 0 HB3 PHE A 77 -0.123 9.046 -1.537 1.00 12.33 H new ATOM 0 HD1 PHE A 77 3.486 9.545 -2.166 1.00 61.20 H new ATOM 0 HD2 PHE A 77 -0.359 9.012 -3.921 1.00 51.43 H new ATOM 0 HE1 PHE A 77 4.540 9.144 -4.348 1.00 25.42 H new ATOM 0 HE2 PHE A 77 0.692 8.611 -6.106 1.00 63.32 H new ATOM 0 HZ PHE A 77 3.145 8.677 -6.324 1.00 12.35 H new ATOM 1206 N ARG A 78 -1.499 11.445 -0.177 1.00 73.15 N ATOM 1207 CA ARG A 78 -2.463 11.553 0.916 1.00 41.01 C ATOM 1208 C ARG A 78 -2.888 10.163 1.383 1.00 35.02 C ATOM 1209 O ARG A 78 -3.369 9.356 0.589 1.00 45.33 O ATOM 1210 CB ARG A 78 -3.667 12.368 0.440 1.00 14.24 C ATOM 1211 CG ARG A 78 -4.842 12.434 1.404 1.00 64.24 C ATOM 1212 CD ARG A 78 -5.844 13.476 0.935 1.00 20.41 C ATOM 1213 NE ARG A 78 -7.172 13.304 1.522 1.00 73.45 N ATOM 1214 CZ ARG A 78 -8.024 14.304 1.727 1.00 75.00 C ATOM 1215 NH1 ARG A 78 -7.663 15.553 1.481 1.00 24.42 N ATOM 1216 NH2 ARG A 78 -9.240 14.049 2.181 1.00 75.12 N ATOM 0 H ARG A 78 -1.898 11.607 -1.101 1.00 73.15 H new ATOM 0 HA ARG A 78 -2.006 12.062 1.765 1.00 41.01 H new ATOM 0 HB2 ARG A 78 -3.334 13.385 0.231 1.00 14.24 H new ATOM 0 HB3 ARG A 78 -4.017 11.947 -0.503 1.00 14.24 H new ATOM 0 HG2 ARG A 78 -5.324 11.458 1.470 1.00 64.24 H new ATOM 0 HG3 ARG A 78 -4.488 12.683 2.404 1.00 64.24 H new ATOM 0 HD2 ARG A 78 -5.470 14.469 1.184 1.00 20.41 H new ATOM 0 HD3 ARG A 78 -5.925 13.430 -0.151 1.00 20.41 H new ATOM 0 HE ARG A 78 -7.461 12.363 1.790 1.00 73.45 H new ATOM 0 HH11 ARG A 78 -6.726 15.754 1.132 1.00 24.42 H new ATOM 0 HH12 ARG A 78 -8.322 16.315 1.641 1.00 24.42 H new ATOM 0 HH21 ARG A 78 -9.522 13.088 2.373 1.00 75.12 H new ATOM 0 HH22 ARG A 78 -9.896 14.814 2.339 1.00 75.12 H new ATOM 1230 N LEU A 79 -2.709 9.896 2.672 1.00 24.41 N ATOM 1231 CA LEU A 79 -2.915 8.557 3.221 1.00 15.11 C ATOM 1232 C LEU A 79 -4.394 8.195 3.336 1.00 11.34 C ATOM 1233 O LEU A 79 -4.759 7.025 3.233 1.00 41.14 O ATOM 1234 CB LEU A 79 -2.255 8.443 4.598 1.00 62.40 C ATOM 1235 CG LEU A 79 -0.740 8.667 4.618 1.00 30.23 C ATOM 1236 CD1 LEU A 79 -0.197 8.505 6.029 1.00 24.23 C ATOM 1237 CD2 LEU A 79 -0.041 7.711 3.663 1.00 72.23 C ATOM 0 H LEU A 79 -2.420 10.591 3.360 1.00 24.41 H new ATOM 0 HA LEU A 79 -2.455 7.855 2.526 1.00 15.11 H new ATOM 0 HB2 LEU A 79 -2.721 9.166 5.267 1.00 62.40 H new ATOM 0 HB3 LEU A 79 -2.465 7.453 5.002 1.00 62.40 H new ATOM 0 HG LEU A 79 -0.540 9.686 4.286 1.00 30.23 H new ATOM 0 HD11 LEU A 79 0.881 8.667 6.025 1.00 24.23 H new ATOM 0 HD12 LEU A 79 -0.671 9.233 6.687 1.00 24.23 H new ATOM 0 HD13 LEU A 79 -0.411 7.498 6.388 1.00 24.23 H new ATOM 0 HD21 LEU A 79 1.034 7.888 3.693 1.00 72.23 H new ATOM 0 HD22 LEU A 79 -0.248 6.683 3.961 1.00 72.23 H new ATOM 0 HD23 LEU A 79 -0.407 7.876 2.650 1.00 72.23 H new ATOM 1249 N TYR A 80 -5.243 9.190 3.552 1.00 73.43 N ATOM 1250 CA TYR A 80 -6.658 8.926 3.792 1.00 24.44 C ATOM 1251 C TYR A 80 -7.419 8.710 2.484 1.00 50.10 C ATOM 1252 O TYR A 80 -8.501 8.124 2.477 1.00 41.23 O ATOM 1253 CB TYR A 80 -7.284 10.075 4.593 1.00 11.13 C ATOM 1254 CG TYR A 80 -8.689 9.784 5.076 1.00 14.54 C ATOM 1255 CD1 TYR A 80 -8.924 8.790 6.019 1.00 51.55 C ATOM 1256 CD2 TYR A 80 -9.779 10.493 4.587 1.00 72.43 C ATOM 1257 CE1 TYR A 80 -10.202 8.514 6.461 1.00 53.10 C ATOM 1258 CE2 TYR A 80 -11.062 10.223 5.025 1.00 32.24 C ATOM 1259 CZ TYR A 80 -11.267 9.231 5.961 1.00 2.35 C ATOM 1260 OH TYR A 80 -12.541 8.958 6.406 1.00 62.41 O ATOM 0 H TYR A 80 -4.983 10.176 3.566 1.00 73.43 H new ATOM 0 HA TYR A 80 -6.732 8.007 4.373 1.00 24.44 H new ATOM 0 HB2 TYR A 80 -6.651 10.294 5.453 1.00 11.13 H new ATOM 0 HB3 TYR A 80 -7.300 10.972 3.973 1.00 11.13 H new ATOM 0 HD1 TYR A 80 -8.092 8.224 6.412 1.00 51.55 H new ATOM 0 HD2 TYR A 80 -9.621 11.268 3.852 1.00 72.43 H new ATOM 0 HE1 TYR A 80 -10.367 7.739 7.195 1.00 53.10 H new ATOM 0 HE2 TYR A 80 -11.898 10.785 4.637 1.00 32.24 H new ATOM 0 HH TYR A 80 -13.179 9.551 5.957 1.00 62.41 H new ATOM 1270 N ASP A 81 -6.843 9.162 1.375 1.00 74.21 N ATOM 1271 CA ASP A 81 -7.518 9.069 0.081 1.00 23.01 C ATOM 1272 C ASP A 81 -6.539 8.702 -1.019 1.00 15.22 C ATOM 1273 O ASP A 81 -6.462 7.553 -1.444 1.00 21.32 O ATOM 1274 CB ASP A 81 -8.210 10.390 -0.287 1.00 72.10 C ATOM 1275 CG ASP A 81 -9.398 10.711 0.595 1.00 41.22 C ATOM 1276 OD1 ASP A 81 -9.205 11.375 1.634 1.00 44.05 O ATOM 1277 OD2 ASP A 81 -10.530 10.317 0.242 1.00 10.43 O ATOM 0 H ASP A 81 -5.919 9.593 1.343 1.00 74.21 H new ATOM 0 HA ASP A 81 -8.271 8.286 0.172 1.00 23.01 H new ATOM 0 HB2 ASP A 81 -7.486 11.202 -0.219 1.00 72.10 H new ATOM 0 HB3 ASP A 81 -8.539 10.342 -1.325 1.00 72.10 H new ATOM 1282 N GLY A 82 -5.781 9.689 -1.466 1.00 61.01 N ATOM 1283 CA GLY A 82 -4.861 9.475 -2.559 1.00 21.54 C ATOM 1284 C GLY A 82 -4.548 10.756 -3.299 1.00 60.32 C ATOM 1285 O GLY A 82 -3.601 10.805 -4.084 1.00 71.44 O ATOM 0 H GLY A 82 -5.787 10.637 -1.090 1.00 61.01 H new ATOM 0 HA2 GLY A 82 -3.937 9.044 -2.175 1.00 21.54 H new ATOM 0 HA3 GLY A 82 -5.286 8.750 -3.253 1.00 21.54 H new ATOM 1289 N PHE A 83 -5.355 11.790 -3.053 1.00 62.41 N ATOM 1290 CA PHE A 83 -5.113 13.112 -3.627 1.00 32.44 C ATOM 1291 C PHE A 83 -3.710 13.582 -3.268 1.00 13.41 C ATOM 1292 O PHE A 83 -3.432 13.902 -2.117 1.00 13.25 O ATOM 1293 CB PHE A 83 -6.145 14.121 -3.112 1.00 64.53 C ATOM 1294 CG PHE A 83 -7.569 13.740 -3.405 1.00 65.13 C ATOM 1295 CD1 PHE A 83 -8.059 13.778 -4.700 1.00 41.05 C ATOM 1296 CD2 PHE A 83 -8.417 13.348 -2.381 1.00 62.02 C ATOM 1297 CE1 PHE A 83 -9.370 13.432 -4.969 1.00 41.32 C ATOM 1298 CE2 PHE A 83 -9.729 13.001 -2.645 1.00 13.40 C ATOM 1299 CZ PHE A 83 -10.207 13.043 -3.940 1.00 14.44 C ATOM 0 H PHE A 83 -6.182 11.736 -2.459 1.00 62.41 H new ATOM 0 HA PHE A 83 -5.206 13.042 -4.711 1.00 32.44 H new ATOM 0 HB2 PHE A 83 -6.023 14.232 -2.035 1.00 64.53 H new ATOM 0 HB3 PHE A 83 -5.941 15.094 -3.558 1.00 64.53 H new ATOM 0 HD1 PHE A 83 -7.410 14.081 -5.508 1.00 41.05 H new ATOM 0 HD2 PHE A 83 -8.049 13.313 -1.366 1.00 62.02 H new ATOM 0 HE1 PHE A 83 -9.740 13.466 -5.983 1.00 41.32 H new ATOM 0 HE2 PHE A 83 -10.380 12.697 -1.839 1.00 13.40 H new ATOM 0 HZ PHE A 83 -11.232 12.773 -4.148 1.00 14.44 H new ATOM 1309 N CYS A 84 -2.829 13.600 -4.252 1.00 14.22 N ATOM 1310 CA CYS A 84 -1.426 13.903 -4.022 1.00 0.43 C ATOM 1311 C CYS A 84 -1.207 15.396 -3.807 1.00 4.23 C ATOM 1312 O CYS A 84 -2.012 16.225 -4.239 1.00 34.01 O ATOM 1313 CB CYS A 84 -0.602 13.404 -5.206 1.00 43.43 C ATOM 1314 SG CYS A 84 -0.971 11.695 -5.674 1.00 15.11 S ATOM 0 H CYS A 84 -3.062 13.407 -5.226 1.00 14.22 H new ATOM 0 HA CYS A 84 -1.103 13.394 -3.114 1.00 0.43 H new ATOM 0 HB2 CYS A 84 -0.781 14.054 -6.063 1.00 43.43 H new ATOM 0 HB3 CYS A 84 0.457 13.485 -4.961 1.00 43.43 H new ATOM 0 HG CYS A 84 -0.238 10.884 -4.970 1.00 15.11 H new ATOM 1320 N LEU A 85 -0.122 15.729 -3.122 1.00 22.44 N ATOM 1321 CA LEU A 85 0.216 17.119 -2.852 1.00 31.31 C ATOM 1322 C LEU A 85 1.019 17.696 -4.014 1.00 44.34 C ATOM 1323 O LEU A 85 1.096 18.910 -4.194 1.00 21.32 O ATOM 1324 CB LEU A 85 1.009 17.220 -1.544 1.00 34.31 C ATOM 1325 CG LEU A 85 1.191 18.635 -0.990 1.00 52.04 C ATOM 1326 CD1 LEU A 85 -0.156 19.269 -0.686 1.00 3.04 C ATOM 1327 CD2 LEU A 85 2.057 18.605 0.259 1.00 70.51 C ATOM 0 H LEU A 85 0.541 15.053 -2.742 1.00 22.44 H new ATOM 0 HA LEU A 85 -0.702 17.697 -2.746 1.00 31.31 H new ATOM 0 HB2 LEU A 85 0.508 16.615 -0.788 1.00 34.31 H new ATOM 0 HB3 LEU A 85 1.994 16.781 -1.702 1.00 34.31 H new ATOM 0 HG LEU A 85 1.691 19.240 -1.747 1.00 52.04 H new ATOM 0 HD11 LEU A 85 -0.005 20.274 -0.293 1.00 3.04 H new ATOM 0 HD12 LEU A 85 -0.748 19.322 -1.600 1.00 3.04 H new ATOM 0 HD13 LEU A 85 -0.683 18.666 0.053 1.00 3.04 H new ATOM 0 HD21 LEU A 85 2.178 19.618 0.642 1.00 70.51 H new ATOM 0 HD22 LEU A 85 1.580 17.985 1.018 1.00 70.51 H new ATOM 0 HD23 LEU A 85 3.035 18.191 0.014 1.00 70.51 H new ATOM 1339 N GLU A 86 1.615 16.809 -4.801 1.00 44.05 N ATOM 1340 CA GLU A 86 2.354 17.211 -5.989 1.00 12.24 C ATOM 1341 C GLU A 86 1.426 17.308 -7.194 1.00 62.31 C ATOM 1342 O GLU A 86 0.942 18.392 -7.531 1.00 72.12 O ATOM 1343 CB GLU A 86 3.492 16.225 -6.273 1.00 40.43 C ATOM 1344 CG GLU A 86 4.829 16.632 -5.668 1.00 44.01 C ATOM 1345 CD GLU A 86 4.724 17.071 -4.223 1.00 53.03 C ATOM 1346 OE1 GLU A 86 4.509 16.213 -3.342 1.00 11.15 O ATOM 1347 OE2 GLU A 86 4.869 18.283 -3.964 1.00 43.31 O ATOM 0 H GLU A 86 1.600 15.803 -4.636 1.00 44.05 H new ATOM 0 HA GLU A 86 2.784 18.196 -5.805 1.00 12.24 H new ATOM 0 HB2 GLU A 86 3.214 15.244 -5.888 1.00 40.43 H new ATOM 0 HB3 GLU A 86 3.609 16.122 -7.352 1.00 40.43 H new ATOM 0 HG2 GLU A 86 5.521 15.793 -5.736 1.00 44.01 H new ATOM 0 HG3 GLU A 86 5.254 17.444 -6.257 1.00 44.01 H new ATOM 1354 N ASP A 87 1.168 16.169 -7.826 1.00 62.34 N ATOM 1355 CA ASP A 87 0.296 16.113 -8.994 1.00 41.54 C ATOM 1356 C ASP A 87 -0.505 14.824 -8.981 1.00 4.51 C ATOM 1357 O ASP A 87 -0.130 13.861 -8.309 1.00 4.11 O ATOM 1358 CB ASP A 87 1.107 16.177 -10.295 1.00 71.53 C ATOM 1359 CG ASP A 87 1.849 17.484 -10.476 1.00 72.03 C ATOM 1360 OD1 ASP A 87 1.221 18.481 -10.883 1.00 52.34 O ATOM 1361 OD2 ASP A 87 3.073 17.517 -10.220 1.00 33.33 O ATOM 0 H ASP A 87 1.553 15.266 -7.547 1.00 62.34 H new ATOM 0 HA ASP A 87 -0.373 16.973 -8.951 1.00 41.54 H new ATOM 0 HB2 ASP A 87 1.824 15.356 -10.309 1.00 71.53 H new ATOM 0 HB3 ASP A 87 0.436 16.028 -11.141 1.00 71.53 H new ATOM 1366 N GLY A 88 -1.596 14.800 -9.727 1.00 35.55 N ATOM 1367 CA GLY A 88 -2.373 13.586 -9.868 1.00 45.11 C ATOM 1368 C GLY A 88 -1.744 12.655 -10.882 1.00 62.32 C ATOM 1369 O GLY A 88 -2.309 12.412 -11.950 1.00 61.12 O ATOM 0 H GLY A 88 -1.960 15.603 -10.240 1.00 35.55 H new ATOM 0 HA2 GLY A 88 -2.447 13.083 -8.904 1.00 45.11 H new ATOM 0 HA3 GLY A 88 -3.389 13.834 -10.177 1.00 45.11 H new ATOM 1373 N ALA A 89 -0.555 12.157 -10.549 1.00 54.42 N ATOM 1374 CA ALA A 89 0.225 11.326 -11.456 1.00 23.14 C ATOM 1375 C ALA A 89 -0.513 10.042 -11.823 1.00 74.03 C ATOM 1376 O ALA A 89 -0.896 9.845 -12.976 1.00 43.52 O ATOM 1377 CB ALA A 89 1.582 11.005 -10.843 1.00 64.14 C ATOM 0 H ALA A 89 -0.109 12.319 -9.646 1.00 54.42 H new ATOM 0 HA ALA A 89 0.375 11.891 -12.376 1.00 23.14 H new ATOM 0 HB1 ALA A 89 2.154 10.383 -11.532 1.00 64.14 H new ATOM 0 HB2 ALA A 89 2.124 11.931 -10.654 1.00 64.14 H new ATOM 0 HB3 ALA A 89 1.440 10.470 -9.904 1.00 64.14 H new ATOM 1383 N TYR A 90 -0.720 9.174 -10.847 1.00 12.52 N ATOM 1384 CA TYR A 90 -1.351 7.887 -11.113 1.00 64.45 C ATOM 1385 C TYR A 90 -2.825 7.901 -10.739 1.00 20.30 C ATOM 1386 O TYR A 90 -3.622 7.178 -11.335 1.00 71.22 O ATOM 1387 CB TYR A 90 -0.649 6.770 -10.342 1.00 45.01 C ATOM 1388 CG TYR A 90 0.834 6.675 -10.610 1.00 2.12 C ATOM 1389 CD1 TYR A 90 1.317 6.283 -11.851 1.00 22.52 C ATOM 1390 CD2 TYR A 90 1.751 6.970 -9.613 1.00 43.15 C ATOM 1391 CE1 TYR A 90 2.675 6.186 -12.089 1.00 32.41 C ATOM 1392 CE2 TYR A 90 3.107 6.878 -9.843 1.00 33.23 C ATOM 1393 CZ TYR A 90 3.565 6.486 -11.081 1.00 71.12 C ATOM 1394 OH TYR A 90 4.919 6.389 -11.306 1.00 13.21 O ATOM 0 H TYR A 90 -0.464 9.332 -9.872 1.00 12.52 H new ATOM 0 HA TYR A 90 -1.263 7.702 -12.184 1.00 64.45 H new ATOM 0 HB2 TYR A 90 -0.805 6.926 -9.275 1.00 45.01 H new ATOM 0 HB3 TYR A 90 -1.115 5.818 -10.597 1.00 45.01 H new ATOM 0 HD1 TYR A 90 0.621 6.050 -12.643 1.00 22.52 H new ATOM 0 HD2 TYR A 90 1.397 7.277 -8.640 1.00 43.15 H new ATOM 0 HE1 TYR A 90 3.036 5.877 -13.059 1.00 32.41 H new ATOM 0 HE2 TYR A 90 3.808 7.112 -9.055 1.00 33.23 H new ATOM 0 HH TYR A 90 5.108 6.572 -12.250 1.00 13.21 H new ATOM 1404 N SER A 91 -3.173 8.740 -9.762 1.00 52.43 N ATOM 1405 CA SER A 91 -4.518 8.767 -9.192 1.00 5.12 C ATOM 1406 C SER A 91 -4.865 7.404 -8.590 1.00 2.40 C ATOM 1407 O SER A 91 -5.469 6.553 -9.245 1.00 1.13 O ATOM 1408 CB SER A 91 -5.551 9.174 -10.250 1.00 74.34 C ATOM 1409 OG SER A 91 -5.188 10.401 -10.868 1.00 71.34 O ATOM 0 H SER A 91 -2.533 9.416 -9.346 1.00 52.43 H new ATOM 0 HA SER A 91 -4.541 9.513 -8.397 1.00 5.12 H new ATOM 0 HB2 SER A 91 -5.632 8.392 -11.005 1.00 74.34 H new ATOM 0 HB3 SER A 91 -6.533 9.272 -9.787 1.00 74.34 H new ATOM 0 HG SER A 91 -5.860 10.640 -11.540 1.00 71.34 H new ATOM 1415 N VAL A 92 -4.447 7.190 -7.349 1.00 15.14 N ATOM 1416 CA VAL A 92 -4.647 5.907 -6.687 1.00 1.01 C ATOM 1417 C VAL A 92 -6.077 5.778 -6.165 1.00 50.42 C ATOM 1418 O VAL A 92 -6.753 6.779 -5.924 1.00 23.23 O ATOM 1419 CB VAL A 92 -3.648 5.705 -5.526 1.00 61.11 C ATOM 1420 CG1 VAL A 92 -2.218 5.762 -6.039 1.00 52.14 C ATOM 1421 CG2 VAL A 92 -3.864 6.737 -4.429 1.00 33.54 C ATOM 0 H VAL A 92 -3.967 7.888 -6.781 1.00 15.14 H new ATOM 0 HA VAL A 92 -4.470 5.131 -7.432 1.00 1.01 H new ATOM 0 HB VAL A 92 -3.825 4.719 -5.097 1.00 61.11 H new ATOM 0 HG11 VAL A 92 -1.527 5.618 -5.208 1.00 52.14 H new ATOM 0 HG12 VAL A 92 -2.065 4.976 -6.778 1.00 52.14 H new ATOM 0 HG13 VAL A 92 -2.035 6.733 -6.499 1.00 52.14 H new ATOM 0 HG21 VAL A 92 -3.147 6.570 -3.626 1.00 33.54 H new ATOM 0 HG22 VAL A 92 -3.724 7.738 -4.838 1.00 33.54 H new ATOM 0 HG23 VAL A 92 -4.877 6.644 -4.036 1.00 33.54 H new ATOM 1431 N ALA A 93 -6.532 4.543 -6.003 1.00 63.50 N ATOM 1432 CA ALA A 93 -7.888 4.284 -5.541 1.00 74.32 C ATOM 1433 C ALA A 93 -7.927 4.119 -4.027 1.00 11.13 C ATOM 1434 O ALA A 93 -7.016 3.542 -3.429 1.00 71.12 O ATOM 1435 CB ALA A 93 -8.451 3.047 -6.225 1.00 21.24 C ATOM 0 H ALA A 93 -5.981 3.704 -6.185 1.00 63.50 H new ATOM 0 HA ALA A 93 -8.507 5.142 -5.803 1.00 74.32 H new ATOM 0 HB1 ALA A 93 -9.465 2.865 -5.870 1.00 21.24 H new ATOM 0 HB2 ALA A 93 -8.466 3.203 -7.304 1.00 21.24 H new ATOM 0 HB3 ALA A 93 -7.825 2.186 -5.992 1.00 21.24 H new ATOM 1441 N ALA A 94 -8.989 4.623 -3.417 1.00 33.32 N ATOM 1442 CA ALA A 94 -9.159 4.540 -1.977 1.00 34.44 C ATOM 1443 C ALA A 94 -10.373 3.688 -1.641 1.00 1.03 C ATOM 1444 O ALA A 94 -11.512 4.157 -1.696 1.00 20.02 O ATOM 1445 CB ALA A 94 -9.300 5.930 -1.377 1.00 71.43 C ATOM 0 H ALA A 94 -9.751 5.097 -3.903 1.00 33.32 H new ATOM 0 HA ALA A 94 -8.274 4.070 -1.547 1.00 34.44 H new ATOM 0 HB1 ALA A 94 -9.427 5.849 -0.297 1.00 71.43 H new ATOM 0 HB2 ALA A 94 -8.405 6.513 -1.595 1.00 71.43 H new ATOM 0 HB3 ALA A 94 -10.170 6.426 -1.808 1.00 71.43 H new ATOM 1451 N TYR A 95 -10.128 2.428 -1.333 1.00 75.43 N ATOM 1452 CA TYR A 95 -11.202 1.512 -0.982 1.00 4.14 C ATOM 1453 C TYR A 95 -11.582 1.690 0.480 1.00 34.31 C ATOM 1454 O TYR A 95 -10.713 1.817 1.341 1.00 10.31 O ATOM 1455 CB TYR A 95 -10.785 0.062 -1.239 1.00 71.31 C ATOM 1456 CG TYR A 95 -10.393 -0.212 -2.673 1.00 10.42 C ATOM 1457 CD1 TYR A 95 -11.359 -0.419 -3.649 1.00 70.34 C ATOM 1458 CD2 TYR A 95 -9.059 -0.258 -3.050 1.00 51.34 C ATOM 1459 CE1 TYR A 95 -11.004 -0.666 -4.961 1.00 41.52 C ATOM 1460 CE2 TYR A 95 -8.697 -0.504 -4.359 1.00 24.24 C ATOM 1461 CZ TYR A 95 -9.671 -0.705 -5.311 1.00 64.44 C ATOM 1462 OH TYR A 95 -9.308 -0.950 -6.614 1.00 52.33 O ATOM 0 H TYR A 95 -9.196 2.014 -1.318 1.00 75.43 H new ATOM 0 HA TYR A 95 -12.065 1.739 -1.608 1.00 4.14 H new ATOM 0 HB2 TYR A 95 -9.946 -0.186 -0.588 1.00 71.31 H new ATOM 0 HB3 TYR A 95 -11.608 -0.598 -0.964 1.00 71.31 H new ATOM 0 HD1 TYR A 95 -12.404 -0.386 -3.378 1.00 70.34 H new ATOM 0 HD2 TYR A 95 -8.291 -0.099 -2.307 1.00 51.34 H new ATOM 0 HE1 TYR A 95 -11.767 -0.828 -5.709 1.00 41.52 H new ATOM 0 HE2 TYR A 95 -7.654 -0.539 -4.635 1.00 24.24 H new ATOM 0 HH TYR A 95 -9.242 -0.102 -7.100 1.00 52.33 H new ATOM 1472 N ASP A 96 -12.881 1.711 0.751 1.00 64.24 N ATOM 1473 CA ASP A 96 -13.368 1.844 2.118 1.00 32.22 C ATOM 1474 C ASP A 96 -12.989 0.599 2.913 1.00 42.03 C ATOM 1475 O ASP A 96 -13.103 -0.523 2.412 1.00 32.41 O ATOM 1476 CB ASP A 96 -14.886 2.054 2.133 1.00 72.12 C ATOM 1477 CG ASP A 96 -15.390 2.594 3.457 1.00 23.32 C ATOM 1478 OD1 ASP A 96 -15.339 3.826 3.655 1.00 52.33 O ATOM 1479 OD2 ASP A 96 -15.855 1.799 4.295 1.00 73.12 O ATOM 0 H ASP A 96 -13.614 1.638 0.045 1.00 64.24 H new ATOM 0 HA ASP A 96 -12.906 2.717 2.579 1.00 32.22 H new ATOM 0 HB2 ASP A 96 -15.161 2.745 1.336 1.00 72.12 H new ATOM 0 HB3 ASP A 96 -15.382 1.107 1.919 1.00 72.12 H new ATOM 1484 N THR A 97 -12.522 0.800 4.133 1.00 54.12 N ATOM 1485 CA THR A 97 -11.990 -0.290 4.937 1.00 63.21 C ATOM 1486 C THR A 97 -12.841 -0.525 6.180 1.00 4.32 C ATOM 1487 O THR A 97 -13.370 0.421 6.766 1.00 33.12 O ATOM 1488 CB THR A 97 -10.544 0.023 5.383 1.00 65.33 C ATOM 1489 OG1 THR A 97 -10.516 1.241 6.139 1.00 10.42 O ATOM 1490 CG2 THR A 97 -9.621 0.167 4.188 1.00 1.43 C ATOM 0 H THR A 97 -12.500 1.711 4.591 1.00 54.12 H new ATOM 0 HA THR A 97 -12.003 -1.186 4.317 1.00 63.21 H new ATOM 0 HB THR A 97 -10.199 -0.808 5.998 1.00 65.33 H new ATOM 0 HG1 THR A 97 -9.596 1.431 6.419 1.00 10.42 H new ATOM 0 HG21 THR A 97 -8.611 0.387 4.533 1.00 1.43 H new ATOM 0 HG22 THR A 97 -9.616 -0.762 3.618 1.00 1.43 H new ATOM 0 HG23 THR A 97 -9.972 0.980 3.553 1.00 1.43 H new ATOM 1498 N GLN A 98 -12.992 -1.782 6.569 1.00 55.51 N ATOM 1499 CA GLN A 98 -13.613 -2.105 7.841 1.00 0.53 C ATOM 1500 C GLN A 98 -12.809 -3.168 8.568 1.00 12.15 C ATOM 1501 O GLN A 98 -12.339 -4.137 7.971 1.00 1.05 O ATOM 1502 CB GLN A 98 -15.060 -2.570 7.669 1.00 11.24 C ATOM 1503 CG GLN A 98 -15.219 -3.804 6.799 1.00 75.35 C ATOM 1504 CD GLN A 98 -16.645 -4.317 6.767 1.00 75.32 C ATOM 1505 OE1 GLN A 98 -16.880 -5.520 6.626 1.00 73.45 O ATOM 1506 NE2 GLN A 98 -17.609 -3.414 6.893 1.00 61.30 N ATOM 0 H GLN A 98 -12.694 -2.591 6.024 1.00 55.51 H new ATOM 0 HA GLN A 98 -13.626 -1.192 8.436 1.00 0.53 H new ATOM 0 HB2 GLN A 98 -15.483 -2.776 8.652 1.00 11.24 H new ATOM 0 HB3 GLN A 98 -15.642 -1.757 7.236 1.00 11.24 H new ATOM 0 HG2 GLN A 98 -14.898 -3.572 5.784 1.00 75.35 H new ATOM 0 HG3 GLN A 98 -14.562 -4.591 7.169 1.00 75.35 H new ATOM 0 HE21 GLN A 98 -17.373 -2.428 7.008 1.00 61.30 H new ATOM 0 HE22 GLN A 98 -18.586 -3.705 6.875 1.00 61.30 H new ATOM 1515 N VAL A 99 -12.643 -2.970 9.857 1.00 43.20 N ATOM 1516 CA VAL A 99 -11.922 -3.918 10.693 1.00 20.13 C ATOM 1517 C VAL A 99 -12.906 -4.595 11.639 1.00 64.44 C ATOM 1518 O VAL A 99 -12.830 -4.453 12.858 1.00 34.23 O ATOM 1519 CB VAL A 99 -10.794 -3.236 11.499 1.00 43.11 C ATOM 1520 CG1 VAL A 99 -9.881 -4.272 12.143 1.00 23.44 C ATOM 1521 CG2 VAL A 99 -9.988 -2.295 10.614 1.00 41.34 C ATOM 0 H VAL A 99 -12.999 -2.155 10.357 1.00 43.20 H new ATOM 0 HA VAL A 99 -11.453 -4.658 10.045 1.00 20.13 H new ATOM 0 HB VAL A 99 -11.258 -2.649 12.292 1.00 43.11 H new ATOM 0 HG11 VAL A 99 -9.096 -3.766 12.704 1.00 23.44 H new ATOM 0 HG12 VAL A 99 -10.462 -4.900 12.818 1.00 23.44 H new ATOM 0 HG13 VAL A 99 -9.431 -4.892 11.368 1.00 23.44 H new ATOM 0 HG21 VAL A 99 -9.200 -1.827 11.204 1.00 41.34 H new ATOM 0 HG22 VAL A 99 -9.542 -2.859 9.795 1.00 41.34 H new ATOM 0 HG23 VAL A 99 -10.644 -1.525 10.209 1.00 41.34 H new ATOM 1531 N THR A 100 -13.844 -5.316 11.054 1.00 62.44 N ATOM 1532 CA THR A 100 -14.943 -5.905 11.811 1.00 61.13 C ATOM 1533 C THR A 100 -14.548 -7.252 12.409 1.00 64.43 C ATOM 1534 O THR A 100 -15.038 -7.649 13.466 1.00 41.35 O ATOM 1535 CB THR A 100 -16.177 -6.093 10.907 1.00 63.42 C ATOM 1536 OG1 THR A 100 -16.367 -4.924 10.096 1.00 63.43 O ATOM 1537 CG2 THR A 100 -17.430 -6.348 11.732 1.00 21.12 C ATOM 0 H THR A 100 -13.870 -5.511 10.053 1.00 62.44 H new ATOM 0 HA THR A 100 -15.184 -5.220 12.624 1.00 61.13 H new ATOM 0 HB THR A 100 -16.002 -6.961 10.271 1.00 63.42 H new ATOM 0 HG1 THR A 100 -17.151 -5.048 9.522 1.00 63.43 H new ATOM 0 HG21 THR A 100 -18.284 -6.477 11.067 1.00 21.12 H new ATOM 0 HG22 THR A 100 -17.296 -7.250 12.328 1.00 21.12 H new ATOM 0 HG23 THR A 100 -17.609 -5.500 12.393 1.00 21.12 H new ATOM 1545 N ASN A 101 -13.644 -7.937 11.735 1.00 13.15 N ATOM 1546 CA ASN A 101 -13.245 -9.283 12.128 1.00 3.34 C ATOM 1547 C ASN A 101 -11.881 -9.266 12.819 1.00 14.10 C ATOM 1548 O ASN A 101 -11.427 -10.266 13.366 1.00 1.11 O ATOM 1549 CB ASN A 101 -13.213 -10.178 10.880 1.00 52.21 C ATOM 1550 CG ASN A 101 -12.715 -11.583 11.157 1.00 54.54 C ATOM 1551 OD1 ASN A 101 -11.524 -11.870 11.026 1.00 52.04 O ATOM 1552 ND2 ASN A 101 -13.619 -12.462 11.548 1.00 14.32 N ATOM 0 H ASN A 101 -13.167 -7.584 10.906 1.00 13.15 H new ATOM 0 HA ASN A 101 -13.968 -9.681 12.840 1.00 3.34 H new ATOM 0 HB2 ASN A 101 -14.216 -10.233 10.456 1.00 52.21 H new ATOM 0 HB3 ASN A 101 -12.574 -9.716 10.127 1.00 52.21 H new ATOM 0 HD21 ASN A 101 -13.341 -13.421 11.755 1.00 14.32 H new ATOM 0 HD22 ASN A 101 -14.595 -12.182 11.643 1.00 14.32 H new ATOM 1559 N GLY A 102 -11.246 -8.108 12.821 1.00 52.42 N ATOM 1560 CA GLY A 102 -9.860 -8.022 13.238 1.00 1.51 C ATOM 1561 C GLY A 102 -8.966 -7.996 12.026 1.00 20.01 C ATOM 1562 O GLY A 102 -7.904 -7.370 12.017 1.00 63.52 O ATOM 0 H GLY A 102 -11.665 -7.221 12.541 1.00 52.42 H new ATOM 0 HA2 GLY A 102 -9.705 -7.124 13.835 1.00 1.51 H new ATOM 0 HA3 GLY A 102 -9.607 -8.873 13.870 1.00 1.51 H new ATOM 1566 N ASN A 103 -9.409 -8.699 10.998 1.00 24.22 N ATOM 1567 CA ASN A 103 -8.831 -8.580 9.678 1.00 22.43 C ATOM 1568 C ASN A 103 -9.422 -7.357 9.000 1.00 45.22 C ATOM 1569 O ASN A 103 -10.615 -7.082 9.144 1.00 34.14 O ATOM 1570 CB ASN A 103 -9.120 -9.825 8.832 1.00 41.33 C ATOM 1571 CG ASN A 103 -8.334 -11.046 9.269 1.00 5.50 C ATOM 1572 OD1 ASN A 103 -7.215 -11.269 8.814 1.00 0.44 O ATOM 1573 ND2 ASN A 103 -8.922 -11.861 10.131 1.00 13.12 N ATOM 0 H ASN A 103 -10.178 -9.366 11.058 1.00 24.22 H new ATOM 0 HA ASN A 103 -7.750 -8.482 9.773 1.00 22.43 H new ATOM 0 HB2 ASN A 103 -10.185 -10.050 8.883 1.00 41.33 H new ATOM 0 HB3 ASN A 103 -8.890 -9.608 7.789 1.00 41.33 H new ATOM 0 HD21 ASN A 103 -8.445 -12.708 10.439 1.00 13.12 H new ATOM 0 HD22 ASN A 103 -9.852 -11.642 10.487 1.00 13.12 H new ATOM 1580 N VAL A 104 -8.596 -6.618 8.288 1.00 10.13 N ATOM 1581 CA VAL A 104 -9.062 -5.441 7.582 1.00 4.31 C ATOM 1582 C VAL A 104 -9.689 -5.859 6.262 1.00 52.11 C ATOM 1583 O VAL A 104 -9.059 -6.537 5.447 1.00 23.02 O ATOM 1584 CB VAL A 104 -7.918 -4.442 7.318 1.00 21.35 C ATOM 1585 CG1 VAL A 104 -8.453 -3.161 6.691 1.00 62.12 C ATOM 1586 CG2 VAL A 104 -7.167 -4.138 8.606 1.00 12.41 C ATOM 0 H VAL A 104 -7.600 -6.811 8.183 1.00 10.13 H new ATOM 0 HA VAL A 104 -9.801 -4.943 8.209 1.00 4.31 H new ATOM 0 HB VAL A 104 -7.222 -4.898 6.614 1.00 21.35 H new ATOM 0 HG11 VAL A 104 -7.628 -2.471 6.514 1.00 62.12 H new ATOM 0 HG12 VAL A 104 -8.940 -3.395 5.745 1.00 62.12 H new ATOM 0 HG13 VAL A 104 -9.174 -2.699 7.366 1.00 62.12 H new ATOM 0 HG21 VAL A 104 -6.363 -3.431 8.400 1.00 12.41 H new ATOM 0 HG22 VAL A 104 -7.853 -3.705 9.334 1.00 12.41 H new ATOM 0 HG23 VAL A 104 -6.746 -5.060 9.008 1.00 12.41 H new ATOM 1596 N GLN A 105 -10.935 -5.475 6.073 1.00 4.21 N ATOM 1597 CA GLN A 105 -11.680 -5.858 4.893 1.00 12.24 C ATOM 1598 C GLN A 105 -12.068 -4.632 4.085 1.00 43.11 C ATOM 1599 O GLN A 105 -12.728 -3.725 4.589 1.00 14.53 O ATOM 1600 CB GLN A 105 -12.917 -6.658 5.299 1.00 41.33 C ATOM 1601 CG GLN A 105 -12.573 -7.884 6.132 1.00 24.31 C ATOM 1602 CD GLN A 105 -13.781 -8.701 6.538 1.00 70.34 C ATOM 1603 OE1 GLN A 105 -13.687 -9.917 6.692 1.00 24.04 O ATOM 1604 NE2 GLN A 105 -14.916 -8.048 6.727 1.00 73.33 N ATOM 0 H GLN A 105 -11.456 -4.893 6.729 1.00 4.21 H new ATOM 0 HA GLN A 105 -11.050 -6.486 4.264 1.00 12.24 H new ATOM 0 HB2 GLN A 105 -13.591 -6.016 5.866 1.00 41.33 H new ATOM 0 HB3 GLN A 105 -13.453 -6.971 4.403 1.00 41.33 H new ATOM 0 HG2 GLN A 105 -11.890 -8.518 5.566 1.00 24.31 H new ATOM 0 HG3 GLN A 105 -12.042 -7.566 7.029 1.00 24.31 H new ATOM 0 HE21 GLN A 105 -14.952 -7.038 6.589 1.00 73.33 H new ATOM 0 HE22 GLN A 105 -15.755 -8.554 7.011 1.00 73.33 H new ATOM 1613 N ILE A 106 -11.625 -4.599 2.842 1.00 41.21 N ATOM 1614 CA ILE A 106 -11.927 -3.495 1.946 1.00 62.32 C ATOM 1615 C ILE A 106 -13.122 -3.813 1.058 1.00 23.42 C ATOM 1616 O ILE A 106 -13.423 -4.979 0.793 1.00 71.52 O ATOM 1617 CB ILE A 106 -10.704 -3.112 1.069 1.00 61.43 C ATOM 1618 CG1 ILE A 106 -9.936 -4.351 0.586 1.00 64.43 C ATOM 1619 CG2 ILE A 106 -9.773 -2.193 1.833 1.00 60.44 C ATOM 1620 CD1 ILE A 106 -10.609 -5.107 -0.536 1.00 31.21 C ATOM 0 H ILE A 106 -11.049 -5.331 2.426 1.00 41.21 H new ATOM 0 HA ILE A 106 -12.176 -2.641 2.575 1.00 62.32 H new ATOM 0 HB ILE A 106 -11.085 -2.592 0.190 1.00 61.43 H new ATOM 0 HG12 ILE A 106 -8.944 -4.042 0.256 1.00 64.43 H new ATOM 0 HG13 ILE A 106 -9.795 -5.027 1.429 1.00 64.43 H new ATOM 0 HG21 ILE A 106 -8.921 -1.934 1.205 1.00 60.44 H new ATOM 0 HG22 ILE A 106 -10.307 -1.285 2.113 1.00 60.44 H new ATOM 0 HG23 ILE A 106 -9.420 -2.698 2.732 1.00 60.44 H new ATOM 0 HD11 ILE A 106 -9.998 -5.966 -0.814 1.00 31.21 H new ATOM 0 HD12 ILE A 106 -11.589 -5.451 -0.206 1.00 31.21 H new ATOM 0 HD13 ILE A 106 -10.726 -4.451 -1.398 1.00 31.21 H new ATOM 1632 N SER A 107 -13.814 -2.775 0.627 1.00 44.10 N ATOM 1633 CA SER A 107 -14.923 -2.930 -0.293 1.00 4.23 C ATOM 1634 C SER A 107 -14.380 -3.058 -1.714 1.00 45.21 C ATOM 1635 O SER A 107 -13.774 -2.123 -2.238 1.00 14.34 O ATOM 1636 CB SER A 107 -15.866 -1.726 -0.173 1.00 5.12 C ATOM 1637 OG SER A 107 -17.124 -1.978 -0.776 1.00 2.25 O ATOM 0 H SER A 107 -13.626 -1.811 0.902 1.00 44.10 H new ATOM 0 HA SER A 107 -15.487 -3.830 -0.050 1.00 4.23 H new ATOM 0 HB2 SER A 107 -16.010 -1.481 0.879 1.00 5.12 H new ATOM 0 HB3 SER A 107 -15.406 -0.856 -0.642 1.00 5.12 H new ATOM 0 HG SER A 107 -17.698 -1.189 -0.678 1.00 2.25 H new ATOM 1643 N ILE A 108 -14.577 -4.218 -2.328 1.00 15.35 N ATOM 1644 CA ILE A 108 -14.036 -4.471 -3.657 1.00 3.31 C ATOM 1645 C ILE A 108 -14.791 -3.698 -4.730 1.00 54.20 C ATOM 1646 O ILE A 108 -15.961 -3.972 -5.016 1.00 64.43 O ATOM 1647 CB ILE A 108 -14.029 -5.982 -4.004 1.00 71.24 C ATOM 1648 CG1 ILE A 108 -12.915 -6.697 -3.240 1.00 22.31 C ATOM 1649 CG2 ILE A 108 -13.863 -6.204 -5.506 1.00 73.11 C ATOM 1650 CD1 ILE A 108 -11.524 -6.262 -3.651 1.00 54.20 C ATOM 0 H ILE A 108 -15.105 -4.995 -1.929 1.00 15.35 H new ATOM 0 HA ILE A 108 -13.004 -4.120 -3.637 1.00 3.31 H new ATOM 0 HB ILE A 108 -14.990 -6.399 -3.704 1.00 71.24 H new ATOM 0 HG12 ILE A 108 -13.043 -6.516 -2.173 1.00 22.31 H new ATOM 0 HG13 ILE A 108 -13.011 -7.772 -3.395 1.00 22.31 H new ATOM 0 HG21 ILE A 108 -13.862 -7.273 -5.718 1.00 73.11 H new ATOM 0 HG22 ILE A 108 -14.688 -5.730 -6.037 1.00 73.11 H new ATOM 0 HG23 ILE A 108 -12.920 -5.768 -5.836 1.00 73.11 H new ATOM 0 HD11 ILE A 108 -10.784 -6.810 -3.068 1.00 54.20 H new ATOM 0 HD12 ILE A 108 -11.376 -6.469 -4.711 1.00 54.20 H new ATOM 0 HD13 ILE A 108 -11.409 -5.193 -3.470 1.00 54.20 H new ATOM 1662 N ALA A 109 -14.123 -2.702 -5.286 1.00 1.43 N ATOM 1663 CA ALA A 109 -14.595 -2.026 -6.476 1.00 72.11 C ATOM 1664 C ALA A 109 -13.708 -2.436 -7.640 1.00 70.42 C ATOM 1665 O ALA A 109 -12.599 -1.920 -7.792 1.00 43.05 O ATOM 1666 CB ALA A 109 -14.584 -0.516 -6.287 1.00 33.11 C ATOM 0 H ALA A 109 -13.240 -2.342 -4.924 1.00 1.43 H new ATOM 0 HA ALA A 109 -15.627 -2.313 -6.679 1.00 72.11 H new ATOM 0 HB1 ALA A 109 -14.943 -0.033 -7.196 1.00 33.11 H new ATOM 0 HB2 ALA A 109 -15.233 -0.249 -5.453 1.00 33.11 H new ATOM 0 HB3 ALA A 109 -13.568 -0.183 -6.076 1.00 33.11 H new ATOM 1672 N ASP A 110 -14.182 -3.403 -8.417 1.00 64.42 N ATOM 1673 CA ASP A 110 -13.388 -4.002 -9.486 1.00 2.23 C ATOM 1674 C ASP A 110 -12.901 -2.941 -10.467 1.00 2.40 C ATOM 1675 O ASP A 110 -13.652 -2.046 -10.856 1.00 3.35 O ATOM 1676 CB ASP A 110 -14.207 -5.066 -10.218 1.00 23.41 C ATOM 1677 CG ASP A 110 -13.356 -6.011 -11.044 1.00 70.21 C ATOM 1678 OD1 ASP A 110 -12.969 -5.647 -12.172 1.00 23.22 O ATOM 1679 OD2 ASP A 110 -13.087 -7.131 -10.567 1.00 41.42 O ATOM 0 H ASP A 110 -15.120 -3.792 -8.326 1.00 64.42 H new ATOM 0 HA ASP A 110 -12.514 -4.474 -9.038 1.00 2.23 H new ATOM 0 HB2 ASP A 110 -14.776 -5.643 -9.489 1.00 23.41 H new ATOM 0 HB3 ASP A 110 -14.930 -4.575 -10.869 1.00 23.41 H new ATOM 1684 N SER A 111 -11.642 -3.046 -10.848 1.00 23.21 N ATOM 1685 CA SER A 111 -11.014 -2.056 -11.715 1.00 1.21 C ATOM 1686 C SER A 111 -11.251 -2.385 -13.184 1.00 65.12 C ATOM 1687 O SER A 111 -11.014 -1.548 -14.058 1.00 12.33 O ATOM 1688 CB SER A 111 -9.516 -1.984 -11.425 1.00 71.31 C ATOM 1689 OG SER A 111 -9.283 -1.621 -10.075 1.00 25.52 O ATOM 0 H SER A 111 -11.027 -3.811 -10.571 1.00 23.21 H new ATOM 0 HA SER A 111 -11.466 -1.085 -11.509 1.00 1.21 H new ATOM 0 HB2 SER A 111 -9.054 -2.949 -11.632 1.00 71.31 H new ATOM 0 HB3 SER A 111 -9.047 -1.257 -12.088 1.00 71.31 H new ATOM 0 HG SER A 111 -8.371 -1.274 -9.982 1.00 25.52 H new ATOM 1695 N ASP A 112 -11.728 -3.602 -13.433 1.00 3.14 N ATOM 1696 CA ASP A 112 -12.011 -4.091 -14.781 1.00 60.05 C ATOM 1697 C ASP A 112 -10.787 -3.957 -15.679 1.00 45.24 C ATOM 1698 O ASP A 112 -10.682 -3.023 -16.478 1.00 2.21 O ATOM 1699 CB ASP A 112 -13.199 -3.345 -15.392 1.00 70.04 C ATOM 1700 CG ASP A 112 -13.906 -4.159 -16.455 1.00 41.32 C ATOM 1701 OD1 ASP A 112 -13.393 -4.251 -17.591 1.00 54.44 O ATOM 1702 OD2 ASP A 112 -14.992 -4.701 -16.162 1.00 72.34 O ATOM 0 H ASP A 112 -11.931 -4.282 -12.700 1.00 3.14 H new ATOM 0 HA ASP A 112 -12.267 -5.148 -14.704 1.00 60.05 H new ATOM 0 HB2 ASP A 112 -13.907 -3.088 -14.604 1.00 70.04 H new ATOM 0 HB3 ASP A 112 -12.851 -2.408 -15.827 1.00 70.04 H new ATOM 1707 N VAL A 113 -9.850 -4.879 -15.524 1.00 61.44 N ATOM 1708 CA VAL A 113 -8.609 -4.842 -16.281 1.00 34.14 C ATOM 1709 C VAL A 113 -8.048 -6.253 -16.461 1.00 61.30 C ATOM 1710 O VAL A 113 -8.142 -7.087 -15.561 1.00 24.14 O ATOM 1711 CB VAL A 113 -7.570 -3.932 -15.582 1.00 54.33 C ATOM 1712 CG1 VAL A 113 -7.228 -4.452 -14.193 1.00 42.42 C ATOM 1713 CG2 VAL A 113 -6.315 -3.777 -16.427 1.00 2.24 C ATOM 0 H VAL A 113 -9.926 -5.665 -14.878 1.00 61.44 H new ATOM 0 HA VAL A 113 -8.822 -4.427 -17.266 1.00 34.14 H new ATOM 0 HB VAL A 113 -8.021 -2.946 -15.469 1.00 54.33 H new ATOM 0 HG11 VAL A 113 -6.496 -3.792 -13.727 1.00 42.42 H new ATOM 0 HG12 VAL A 113 -8.131 -4.481 -13.583 1.00 42.42 H new ATOM 0 HG13 VAL A 113 -6.812 -5.456 -14.273 1.00 42.42 H new ATOM 0 HG21 VAL A 113 -5.605 -3.132 -15.909 1.00 2.24 H new ATOM 0 HG22 VAL A 113 -5.864 -4.756 -16.591 1.00 2.24 H new ATOM 0 HG23 VAL A 113 -6.576 -3.332 -17.387 1.00 2.24 H new ATOM 1723 N ALA A 114 -7.478 -6.521 -17.627 1.00 22.15 N ATOM 1724 CA ALA A 114 -6.951 -7.845 -17.925 1.00 24.31 C ATOM 1725 C ALA A 114 -5.492 -7.774 -18.358 1.00 4.00 C ATOM 1726 O ALA A 114 -5.183 -7.671 -19.547 1.00 42.13 O ATOM 1727 CB ALA A 114 -7.795 -8.528 -18.992 1.00 13.22 C ATOM 0 H ALA A 114 -7.369 -5.842 -18.380 1.00 22.15 H new ATOM 0 HA ALA A 114 -6.999 -8.439 -17.012 1.00 24.31 H new ATOM 0 HB1 ALA A 114 -7.386 -9.516 -19.202 1.00 13.22 H new ATOM 0 HB2 ALA A 114 -8.820 -8.628 -18.636 1.00 13.22 H new ATOM 0 HB3 ALA A 114 -7.784 -7.930 -19.903 1.00 13.22 H new ATOM 1733 N VAL A 115 -4.598 -7.803 -17.383 1.00 54.35 N ATOM 1734 CA VAL A 115 -3.168 -7.762 -17.654 1.00 12.13 C ATOM 1735 C VAL A 115 -2.534 -9.093 -17.264 1.00 44.01 C ATOM 1736 O VAL A 115 -2.959 -9.728 -16.298 1.00 31.21 O ATOM 1737 CB VAL A 115 -2.474 -6.611 -16.886 1.00 21.44 C ATOM 1738 CG1 VAL A 115 -1.008 -6.509 -17.274 1.00 25.31 C ATOM 1739 CG2 VAL A 115 -3.182 -5.291 -17.139 1.00 43.22 C ATOM 0 H VAL A 115 -4.837 -7.855 -16.393 1.00 54.35 H new ATOM 0 HA VAL A 115 -3.034 -7.583 -18.721 1.00 12.13 H new ATOM 0 HB VAL A 115 -2.532 -6.834 -15.821 1.00 21.44 H new ATOM 0 HG11 VAL A 115 -0.541 -5.693 -16.722 1.00 25.31 H new ATOM 0 HG12 VAL A 115 -0.503 -7.445 -17.035 1.00 25.31 H new ATOM 0 HG13 VAL A 115 -0.927 -6.316 -18.344 1.00 25.31 H new ATOM 0 HG21 VAL A 115 -2.677 -4.496 -16.590 1.00 43.22 H new ATOM 0 HG22 VAL A 115 -3.161 -5.065 -18.205 1.00 43.22 H new ATOM 0 HG23 VAL A 115 -4.217 -5.363 -16.804 1.00 43.22 H new ATOM 1749 N ASP A 116 -1.535 -9.521 -18.021 1.00 30.43 N ATOM 1750 CA ASP A 116 -0.884 -10.799 -17.768 1.00 20.21 C ATOM 1751 C ASP A 116 0.155 -10.691 -16.657 1.00 63.15 C ATOM 1752 O ASP A 116 1.348 -10.513 -16.913 1.00 24.00 O ATOM 1753 CB ASP A 116 -0.238 -11.347 -19.043 1.00 64.02 C ATOM 1754 CG ASP A 116 -1.258 -11.874 -20.032 1.00 22.33 C ATOM 1755 OD1 ASP A 116 -1.681 -13.041 -19.891 1.00 51.22 O ATOM 1756 OD2 ASP A 116 -1.638 -11.128 -20.959 1.00 44.23 O ATOM 0 H ASP A 116 -1.157 -9.003 -18.815 1.00 30.43 H new ATOM 0 HA ASP A 116 -1.657 -11.494 -17.440 1.00 20.21 H new ATOM 0 HB2 ASP A 116 0.348 -10.560 -19.516 1.00 64.02 H new ATOM 0 HB3 ASP A 116 0.455 -12.146 -18.780 1.00 64.02 H new ATOM 1761 N ASN A 117 -0.325 -10.762 -15.426 1.00 62.22 N ATOM 1762 CA ASN A 117 0.527 -10.829 -14.246 1.00 20.03 C ATOM 1763 C ASN A 117 -0.297 -11.359 -13.084 1.00 75.44 C ATOM 1764 O ASN A 117 -1.509 -11.536 -13.227 1.00 43.12 O ATOM 1765 CB ASN A 117 1.132 -9.462 -13.885 1.00 33.45 C ATOM 1766 CG ASN A 117 0.108 -8.458 -13.382 1.00 62.24 C ATOM 1767 OD1 ASN A 117 -0.219 -8.424 -12.196 1.00 55.01 O ATOM 1768 ND2 ASN A 117 -0.377 -7.611 -14.274 1.00 4.11 N ATOM 0 H ASN A 117 -1.323 -10.775 -15.214 1.00 62.22 H new ATOM 0 HA ASN A 117 1.362 -11.496 -14.461 1.00 20.03 H new ATOM 0 HB2 ASN A 117 1.897 -9.603 -13.121 1.00 33.45 H new ATOM 0 HB3 ASN A 117 1.631 -9.051 -14.763 1.00 33.45 H new ATOM 0 HD21 ASN A 117 -1.047 -6.897 -13.988 1.00 4.11 H new ATOM 0 HD22 ASN A 117 -0.081 -7.671 -15.248 1.00 4.11 H new ATOM 1775 N SER A 118 0.352 -11.607 -11.948 1.00 23.33 N ATOM 1776 CA SER A 118 -0.317 -12.167 -10.773 1.00 72.22 C ATOM 1777 C SER A 118 -1.000 -13.490 -11.124 1.00 13.04 C ATOM 1778 O SER A 118 -2.088 -13.798 -10.629 1.00 0.35 O ATOM 1779 CB SER A 118 -1.330 -11.159 -10.215 1.00 42.35 C ATOM 1780 OG SER A 118 -0.697 -9.929 -9.902 1.00 65.55 O ATOM 0 H SER A 118 1.347 -11.428 -11.815 1.00 23.33 H new ATOM 0 HA SER A 118 0.430 -12.368 -10.005 1.00 72.22 H new ATOM 0 HB2 SER A 118 -2.122 -10.990 -10.945 1.00 42.35 H new ATOM 0 HB3 SER A 118 -1.802 -11.568 -9.322 1.00 42.35 H new ATOM 0 HG SER A 118 -0.555 -9.416 -10.725 1.00 65.55 H new ATOM 1786 N GLN A 119 -0.325 -14.281 -11.956 1.00 21.11 N ATOM 1787 CA GLN A 119 -0.880 -15.530 -12.466 1.00 44.44 C ATOM 1788 C GLN A 119 -1.185 -16.510 -11.333 1.00 61.22 C ATOM 1789 O GLN A 119 -0.431 -16.608 -10.361 1.00 71.03 O ATOM 1790 CB GLN A 119 0.084 -16.173 -13.470 1.00 70.44 C ATOM 1791 CG GLN A 119 1.465 -16.457 -12.902 1.00 21.13 C ATOM 1792 CD GLN A 119 2.379 -17.168 -13.883 1.00 51.31 C ATOM 1793 OE1 GLN A 119 1.932 -17.940 -14.732 1.00 22.50 O ATOM 1794 NE2 GLN A 119 3.672 -16.912 -13.771 1.00 52.23 N ATOM 0 H GLN A 119 0.615 -14.075 -12.293 1.00 21.11 H new ATOM 0 HA GLN A 119 -1.817 -15.294 -12.970 1.00 44.44 H new ATOM 0 HB2 GLN A 119 -0.350 -17.106 -13.829 1.00 70.44 H new ATOM 0 HB3 GLN A 119 0.185 -15.516 -14.334 1.00 70.44 H new ATOM 0 HG2 GLN A 119 1.927 -15.517 -12.600 1.00 21.13 H new ATOM 0 HG3 GLN A 119 1.363 -17.065 -12.003 1.00 21.13 H new ATOM 0 HE21 GLN A 119 4.004 -16.266 -13.055 1.00 52.23 H new ATOM 0 HE22 GLN A 119 4.337 -17.360 -14.401 1.00 52.23 H new ATOM 1803 N PRO A 120 -2.310 -17.233 -11.439 1.00 11.20 N ATOM 1804 CA PRO A 120 -2.690 -18.259 -10.464 1.00 31.40 C ATOM 1805 C PRO A 120 -1.696 -19.412 -10.462 1.00 72.32 C ATOM 1806 O PRO A 120 -1.520 -20.089 -11.480 1.00 52.40 O ATOM 1807 CB PRO A 120 -4.068 -18.738 -10.945 1.00 2.40 C ATOM 1808 CG PRO A 120 -4.541 -17.689 -11.894 1.00 23.34 C ATOM 1809 CD PRO A 120 -3.306 -17.105 -12.513 1.00 24.05 C ATOM 0 HA PRO A 120 -2.706 -17.874 -9.444 1.00 31.40 H new ATOM 0 HB2 PRO A 120 -3.998 -19.709 -11.435 1.00 2.40 H new ATOM 0 HB3 PRO A 120 -4.758 -18.852 -10.109 1.00 2.40 H new ATOM 0 HG2 PRO A 120 -5.194 -18.117 -12.655 1.00 23.34 H new ATOM 0 HG3 PRO A 120 -5.116 -16.923 -11.374 1.00 23.34 H new ATOM 0 HD2 PRO A 120 -3.007 -17.649 -13.409 1.00 24.05 H new ATOM 0 HD3 PRO A 120 -3.453 -16.065 -12.806 1.00 24.05 H new ATOM 1817 N LEU A 121 -1.058 -19.625 -9.313 1.00 11.43 N ATOM 1818 CA LEU A 121 -0.017 -20.642 -9.160 1.00 41.35 C ATOM 1819 C LEU A 121 1.115 -20.432 -10.166 1.00 53.13 C ATOM 1820 O LEU A 121 1.189 -21.118 -11.187 1.00 41.51 O ATOM 1821 CB LEU A 121 -0.585 -22.066 -9.296 1.00 34.13 C ATOM 1822 CG LEU A 121 -1.426 -22.573 -8.116 1.00 11.24 C ATOM 1823 CD1 LEU A 121 -0.660 -22.432 -6.809 1.00 1.51 C ATOM 1824 CD2 LEU A 121 -2.761 -21.846 -8.039 1.00 42.41 C ATOM 0 H LEU A 121 -1.247 -19.098 -8.461 1.00 11.43 H new ATOM 0 HA LEU A 121 0.385 -20.532 -8.153 1.00 41.35 H new ATOM 0 HB2 LEU A 121 -1.198 -22.106 -10.197 1.00 34.13 H new ATOM 0 HB3 LEU A 121 0.247 -22.754 -9.445 1.00 34.13 H new ATOM 0 HG LEU A 121 -1.631 -23.631 -8.282 1.00 11.24 H new ATOM 0 HD11 LEU A 121 -1.274 -22.797 -5.986 1.00 1.51 H new ATOM 0 HD12 LEU A 121 0.260 -23.015 -6.862 1.00 1.51 H new ATOM 0 HD13 LEU A 121 -0.416 -21.383 -6.642 1.00 1.51 H new ATOM 0 HD21 LEU A 121 -3.334 -22.227 -7.194 1.00 42.41 H new ATOM 0 HD22 LEU A 121 -2.587 -20.778 -7.908 1.00 42.41 H new ATOM 0 HD23 LEU A 121 -3.319 -22.012 -8.960 1.00 42.41 H new ATOM 1836 N PRO A 122 1.999 -19.458 -9.897 1.00 4.34 N ATOM 1837 CA PRO A 122 3.155 -19.181 -10.746 1.00 23.23 C ATOM 1838 C PRO A 122 4.212 -20.267 -10.617 1.00 3.31 C ATOM 1839 O PRO A 122 4.901 -20.347 -9.595 1.00 71.44 O ATOM 1840 CB PRO A 122 3.700 -17.843 -10.216 1.00 61.21 C ATOM 1841 CG PRO A 122 2.674 -17.338 -9.256 1.00 72.32 C ATOM 1842 CD PRO A 122 1.942 -18.546 -8.751 1.00 65.32 C ATOM 0 HA PRO A 122 2.886 -19.145 -11.802 1.00 23.23 H new ATOM 0 HB2 PRO A 122 4.663 -17.980 -9.723 1.00 61.21 H new ATOM 0 HB3 PRO A 122 3.857 -17.135 -11.030 1.00 61.21 H new ATOM 0 HG2 PRO A 122 3.143 -16.796 -8.435 1.00 72.32 H new ATOM 0 HG3 PRO A 122 1.990 -16.645 -9.746 1.00 72.32 H new ATOM 0 HD2 PRO A 122 2.422 -18.972 -7.870 1.00 65.32 H new ATOM 0 HD3 PRO A 122 0.915 -18.310 -8.472 1.00 65.32 H new ATOM 1850 N LEU A 123 4.321 -21.098 -11.655 1.00 23.15 N ATOM 1851 CA LEU A 123 5.242 -22.235 -11.673 1.00 21.31 C ATOM 1852 C LEU A 123 4.806 -23.276 -10.638 1.00 12.14 C ATOM 1853 O LEU A 123 5.009 -23.106 -9.433 1.00 53.50 O ATOM 1854 CB LEU A 123 6.693 -21.761 -11.434 1.00 13.34 C ATOM 1855 CG LEU A 123 7.810 -22.758 -11.790 1.00 23.33 C ATOM 1856 CD1 LEU A 123 8.014 -23.780 -10.685 1.00 45.43 C ATOM 1857 CD2 LEU A 123 7.507 -23.455 -13.109 1.00 2.25 C ATOM 0 H LEU A 123 3.772 -21.001 -12.509 1.00 23.15 H new ATOM 0 HA LEU A 123 5.213 -22.706 -12.656 1.00 21.31 H new ATOM 0 HB2 LEU A 123 6.853 -20.850 -12.010 1.00 13.34 H new ATOM 0 HB3 LEU A 123 6.796 -21.495 -10.382 1.00 13.34 H new ATOM 0 HG LEU A 123 8.736 -22.193 -11.898 1.00 23.33 H new ATOM 0 HD11 LEU A 123 8.810 -24.469 -10.969 1.00 45.43 H new ATOM 0 HD12 LEU A 123 8.289 -23.268 -9.762 1.00 45.43 H new ATOM 0 HD13 LEU A 123 7.090 -24.337 -10.530 1.00 45.43 H new ATOM 0 HD21 LEU A 123 8.309 -24.156 -13.343 1.00 2.25 H new ATOM 0 HD22 LEU A 123 6.565 -23.996 -13.026 1.00 2.25 H new ATOM 0 HD23 LEU A 123 7.431 -22.713 -13.904 1.00 2.25 H new ATOM 1869 N GLU A 124 4.189 -24.347 -11.121 1.00 45.04 N ATOM 1870 CA GLU A 124 3.638 -25.380 -10.251 1.00 41.54 C ATOM 1871 C GLU A 124 4.746 -26.245 -9.645 1.00 32.32 C ATOM 1872 O GLU A 124 5.921 -25.882 -9.690 1.00 11.33 O ATOM 1873 CB GLU A 124 2.645 -26.238 -11.038 1.00 0.40 C ATOM 1874 CG GLU A 124 1.283 -26.367 -10.372 1.00 13.54 C ATOM 1875 CD GLU A 124 1.284 -27.346 -9.216 1.00 1.41 C ATOM 1876 OE1 GLU A 124 1.837 -27.014 -8.150 1.00 53.43 O ATOM 1877 OE2 GLU A 124 0.752 -28.464 -9.383 1.00 24.22 O ATOM 0 H GLU A 124 4.057 -24.524 -12.117 1.00 45.04 H new ATOM 0 HA GLU A 124 3.115 -24.898 -9.425 1.00 41.54 H new ATOM 0 HB2 GLU A 124 2.514 -25.808 -12.031 1.00 0.40 H new ATOM 0 HB3 GLU A 124 3.068 -27.233 -11.175 1.00 0.40 H new ATOM 0 HG2 GLU A 124 0.965 -25.388 -10.013 1.00 13.54 H new ATOM 0 HG3 GLU A 124 0.551 -26.688 -11.113 1.00 13.54 H new ATOM 1884 N HIS A 125 4.349 -27.379 -9.065 1.00 10.45 N ATOM 1885 CA HIS A 125 5.253 -28.253 -8.323 1.00 53.35 C ATOM 1886 C HIS A 125 5.635 -27.560 -7.019 1.00 43.15 C ATOM 1887 O HIS A 125 6.683 -27.823 -6.425 1.00 52.22 O ATOM 1888 CB HIS A 125 6.495 -28.610 -9.159 1.00 63.15 C ATOM 1889 CG HIS A 125 7.337 -29.702 -8.574 1.00 61.34 C ATOM 1890 ND1 HIS A 125 8.711 -29.638 -8.501 1.00 42.02 N ATOM 1891 CD2 HIS A 125 6.991 -30.895 -8.035 1.00 53.14 C ATOM 1892 CE1 HIS A 125 9.173 -30.744 -7.948 1.00 72.32 C ATOM 1893 NE2 HIS A 125 8.149 -31.522 -7.653 1.00 25.23 N ATOM 0 H HIS A 125 3.387 -27.716 -9.098 1.00 10.45 H new ATOM 0 HA HIS A 125 4.751 -29.194 -8.098 1.00 53.35 H new ATOM 0 HB2 HIS A 125 6.174 -28.909 -10.157 1.00 63.15 H new ATOM 0 HB3 HIS A 125 7.109 -27.717 -9.277 1.00 63.15 H new ATOM 0 HD2 HIS A 125 5.988 -31.281 -7.926 1.00 53.14 H new ATOM 0 HE1 HIS A 125 10.213 -30.973 -7.768 1.00 72.32 H new ATOM 0 HE2 HIS A 125 8.209 -32.440 -7.213 1.00 25.23 H new ATOM 1902 N HIS A 126 4.741 -26.689 -6.565 1.00 54.10 N ATOM 1903 CA HIS A 126 4.974 -25.895 -5.368 1.00 31.14 C ATOM 1904 C HIS A 126 4.707 -26.727 -4.118 1.00 31.12 C ATOM 1905 O HIS A 126 3.639 -26.645 -3.512 1.00 40.43 O ATOM 1906 CB HIS A 126 4.090 -24.638 -5.379 1.00 5.11 C ATOM 1907 CG HIS A 126 4.455 -23.617 -4.337 1.00 44.25 C ATOM 1908 ND1 HIS A 126 5.090 -22.430 -4.638 1.00 42.40 N ATOM 1909 CD2 HIS A 126 4.265 -23.604 -2.996 1.00 30.54 C ATOM 1910 CE1 HIS A 126 5.278 -21.738 -3.530 1.00 32.05 C ATOM 1911 NE2 HIS A 126 4.786 -22.426 -2.518 1.00 72.00 N ATOM 0 H HIS A 126 3.841 -26.515 -7.013 1.00 54.10 H new ATOM 0 HA HIS A 126 6.018 -25.582 -5.356 1.00 31.14 H new ATOM 0 HB2 HIS A 126 4.151 -24.174 -6.363 1.00 5.11 H new ATOM 0 HB3 HIS A 126 3.052 -24.936 -5.231 1.00 5.11 H new ATOM 0 HD2 HIS A 126 3.791 -24.378 -2.410 1.00 30.54 H new ATOM 0 HE1 HIS A 126 5.755 -20.771 -3.463 1.00 32.05 H new ATOM 0 HE2 HIS A 126 4.791 -22.132 -1.541 1.00 72.00 H new ATOM 1920 N HIS A 127 5.667 -27.561 -3.765 1.00 74.31 N ATOM 1921 CA HIS A 127 5.587 -28.357 -2.551 1.00 1.10 C ATOM 1922 C HIS A 127 6.867 -28.188 -1.753 1.00 20.22 C ATOM 1923 O HIS A 127 7.916 -27.878 -2.317 1.00 65.55 O ATOM 1924 CB HIS A 127 5.347 -29.836 -2.870 1.00 24.14 C ATOM 1925 CG HIS A 127 3.951 -30.140 -3.332 1.00 2.23 C ATOM 1926 ND1 HIS A 127 3.039 -30.838 -2.567 1.00 73.55 N ATOM 1927 CD2 HIS A 127 3.315 -29.844 -4.490 1.00 23.02 C ATOM 1928 CE1 HIS A 127 1.907 -30.957 -3.236 1.00 74.11 C ATOM 1929 NE2 HIS A 127 2.048 -30.363 -4.403 1.00 12.11 N ATOM 0 H HIS A 127 6.519 -27.707 -4.306 1.00 74.31 H new ATOM 0 HA HIS A 127 4.740 -28.007 -1.960 1.00 1.10 H new ATOM 0 HB2 HIS A 127 6.051 -30.150 -3.641 1.00 24.14 H new ATOM 0 HB3 HIS A 127 5.562 -30.429 -1.981 1.00 24.14 H new ATOM 0 HD2 HIS A 127 3.728 -29.300 -5.327 1.00 23.02 H new ATOM 0 HE1 HIS A 127 1.016 -31.457 -2.886 1.00 74.11 H new ATOM 0 HE2 HIS A 127 1.331 -30.299 -5.126 1.00 12.11 H new ATOM 1938 N HIS A 128 6.773 -28.363 -0.447 1.00 22.13 N ATOM 1939 CA HIS A 128 7.921 -28.194 0.431 1.00 10.13 C ATOM 1940 C HIS A 128 7.676 -28.900 1.757 1.00 25.33 C ATOM 1941 O HIS A 128 6.542 -28.960 2.232 1.00 70.12 O ATOM 1942 CB HIS A 128 8.212 -26.701 0.667 1.00 53.32 C ATOM 1943 CG HIS A 128 7.103 -25.944 1.341 1.00 25.53 C ATOM 1944 ND1 HIS A 128 7.221 -25.408 2.604 1.00 60.31 N ATOM 1945 CD2 HIS A 128 5.854 -25.629 0.919 1.00 11.53 C ATOM 1946 CE1 HIS A 128 6.099 -24.796 2.927 1.00 53.34 C ATOM 1947 NE2 HIS A 128 5.251 -24.916 1.924 1.00 44.34 N ATOM 0 H HIS A 128 5.911 -28.623 0.032 1.00 22.13 H new ATOM 0 HA HIS A 128 8.791 -28.640 -0.051 1.00 10.13 H new ATOM 0 HB2 HIS A 128 9.114 -26.612 1.272 1.00 53.32 H new ATOM 0 HB3 HIS A 128 8.424 -26.230 -0.293 1.00 53.32 H new ATOM 0 HD2 HIS A 128 5.415 -25.891 -0.032 1.00 11.53 H new ATOM 0 HE1 HIS A 128 5.906 -24.282 3.857 1.00 53.34 H new ATOM 0 HE2 HIS A 128 4.303 -24.541 1.900 1.00 44.34 H new ATOM 1956 N HIS A 129 8.733 -29.434 2.345 1.00 43.13 N ATOM 1957 CA HIS A 129 8.620 -30.121 3.620 1.00 41.14 C ATOM 1958 C HIS A 129 8.639 -29.107 4.752 1.00 24.31 C ATOM 1959 O HIS A 129 9.465 -28.195 4.762 1.00 42.23 O ATOM 1960 CB HIS A 129 9.762 -31.129 3.800 1.00 23.03 C ATOM 1961 CG HIS A 129 9.644 -31.959 5.047 1.00 20.53 C ATOM 1962 ND1 HIS A 129 10.141 -31.559 6.271 1.00 30.40 N ATOM 1963 CD2 HIS A 129 9.072 -33.168 5.255 1.00 32.22 C ATOM 1964 CE1 HIS A 129 9.876 -32.485 7.176 1.00 23.31 C ATOM 1965 NE2 HIS A 129 9.229 -33.471 6.584 1.00 2.40 N ATOM 0 H HIS A 129 9.677 -29.405 1.961 1.00 43.13 H new ATOM 0 HA HIS A 129 7.677 -30.667 3.638 1.00 41.14 H new ATOM 0 HB2 HIS A 129 9.790 -31.791 2.935 1.00 23.03 H new ATOM 0 HB3 HIS A 129 10.710 -30.591 3.821 1.00 23.03 H new ATOM 0 HD2 HIS A 129 8.583 -33.781 4.512 1.00 32.22 H new ATOM 0 HE1 HIS A 129 10.143 -32.442 8.222 1.00 23.31 H new ATOM 0 HE2 HIS A 129 8.899 -34.321 7.041 1.00 2.40 H new ATOM 1974 N HIS A 130 7.727 -29.261 5.696 1.00 65.33 N ATOM 1975 CA HIS A 130 7.670 -28.363 6.837 1.00 74.32 C ATOM 1976 C HIS A 130 8.718 -28.766 7.868 1.00 72.31 C ATOM 1977 O HIS A 130 8.421 -29.628 8.710 1.00 37.93 O ATOM 1978 CB HIS A 130 6.272 -28.373 7.460 1.00 42.12 C ATOM 1979 CG HIS A 130 6.063 -27.292 8.478 1.00 15.30 C ATOM 1980 ND1 HIS A 130 6.233 -27.483 9.830 1.00 33.45 N ATOM 1981 CD2 HIS A 130 5.706 -25.995 8.325 1.00 50.42 C ATOM 1982 CE1 HIS A 130 5.987 -26.352 10.464 1.00 2.15 C ATOM 1983 NE2 HIS A 130 5.666 -25.432 9.574 1.00 64.44 N ATOM 1984 OXT HIS A 130 9.845 -28.240 7.805 1.00 37.93 O ATOM 0 H HIS A 130 7.019 -29.995 5.696 1.00 65.33 H new ATOM 0 HA HIS A 130 7.883 -27.349 6.497 1.00 74.32 H new ATOM 0 HB2 HIS A 130 5.530 -28.265 6.669 1.00 42.12 H new ATOM 0 HB3 HIS A 130 6.099 -29.341 7.929 1.00 42.12 H new ATOM 0 HD2 HIS A 130 5.492 -25.496 7.391 1.00 50.42 H new ATOM 0 HE1 HIS A 130 6.040 -26.204 11.533 1.00 2.15 H new ATOM 0 HE2 HIS A 130 5.428 -24.462 9.781 1.00 64.44 H new TER 1993 HIS A 130