USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1109 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 25 SER OG : rot -63:sc= 1.86 USER MOD Set 1.2: A 143 LYS NZ :NH3+ 155:sc= 1.74 (180deg=0.981) USER MOD Set 2.1: A 113 HIS : no HD1:sc= -0.664 K(o=-0.66,f=-1.2) USER MOD Set 2.2: A 150 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 111 THR OG1 : rot 180:sc= 1.08 USER MOD Set 3.2: A 126 SER OG : rot 116:sc= 1.19 USER MOD Set 4.1: A 43 SER OG : rot -110:sc= 0.317 USER MOD Set 4.2: A 67 LYS NZ :NH3+ -168:sc= 0.341 (180deg=0) USER MOD Set 5.1: A 7 ASN : amide:sc= -1.87! C(o=-0.072!,f=-0.88!) USER MOD Set 5.2: A 57 SER OG : rot 160:sc= 0.94 USER MOD Set 5.3: A 59 THR OG1 : rot -88:sc= 0.863 USER MOD Set 6.1: A 52 ASN : amide:sc= 1.06 K(o=1.6,f=-3.1!) USER MOD Set 6.2: A 53 ASN : amide:sc= 0.504 K(o=1.6,f=0.49) USER MOD Set 7.1: A 36 TYR OH : rot 141:sc= 0.558 USER MOD Set 7.2: A 38 ASN : amide:sc= -0.545 K(o=0.013,f=-1.6) USER MOD Set 8.1: A 6 THR OG1 : rot 180:sc= 0.0212 USER MOD Set 8.2: A 9 GLN : amide:sc= -0.146 X(o=-0.12,f=0.22) USER MOD Single : A 5 MET CE :methyl -171:sc= -1.48 (180deg=-1.75) USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.923) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.107) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 1.02 (180deg=1.01) USER MOD Single : A 17 SER OG : rot 163:sc= -0.335 USER MOD Single : A 21 SER OG : rot 150:sc= -0.0614 USER MOD Single : A 22 ASN : amide:sc= -0.0155 K(o=-0.015,f=-0.58) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 29 ASN : amide:sc= -0.0506 K(o=-0.051,f=-1.9) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 142:sc= 0.485 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -56:sc= 1.3 USER MOD Single : A 62 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.75) USER MOD Single : A 64 SER OG : rot -170:sc= -0.0289 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00229) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= 2.44 (180deg=2.22) USER MOD Single : A 75 ASN : amide:sc= -0.255 X(o=-0.26,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 83 THR OG1 : rot -174:sc= 0.877 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -76:sc= 0.946 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00876 USER MOD Single : A 95 THR OG1 : rot -78:sc= 0.986 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -121:sc= 0.858 (180deg=-0.00762) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.0011 K(o=-0.0011,f=-2!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot -160:sc= -0.044 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 40:sc= 0.561 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 ASN :FLIP amide:sc= -0.083 F(o=-1.2,f=-0.083) USER MOD Single : A 139 THR OG1 : rot -170:sc= 0.0615 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ -115:sc= 0.585 (180deg=-0.066) USER MOD ----------------------------------------------------------------- ATOM 60 N MET A 5 18.784 -2.684 3.824 1.00 55.04 N ATOM 61 CA MET A 5 17.491 -3.146 3.385 1.00 15.35 C ATOM 62 C MET A 5 17.564 -3.655 1.948 1.00 1.32 C ATOM 63 O MET A 5 18.293 -3.115 1.113 1.00 20.10 O ATOM 64 CB MET A 5 16.458 -2.029 3.636 1.00 11.44 C ATOM 65 CG MET A 5 15.152 -2.148 2.847 1.00 12.02 C ATOM 66 SD MET A 5 15.256 -1.486 1.163 1.00 61.41 S ATOM 67 CE MET A 5 14.822 0.228 1.533 1.00 65.44 C ATOM 0 HA MET A 5 17.157 -4.009 3.961 1.00 15.35 H new ATOM 0 HB2 MET A 5 16.219 -2.012 4.699 1.00 11.44 H new ATOM 0 HB3 MET A 5 16.920 -1.071 3.397 1.00 11.44 H new ATOM 0 HG2 MET A 5 14.862 -3.197 2.798 1.00 12.02 H new ATOM 0 HG3 MET A 5 14.363 -1.624 3.386 1.00 12.02 H new ATOM 0 HE1 MET A 5 14.673 0.775 0.602 1.00 65.44 H new ATOM 0 HE2 MET A 5 13.903 0.252 2.119 1.00 65.44 H new ATOM 0 HE3 MET A 5 15.627 0.693 2.102 1.00 65.44 H new ATOM 77 N THR A 6 16.767 -4.681 1.673 1.00 65.14 N ATOM 78 CA THR A 6 16.552 -5.318 0.386 1.00 51.15 C ATOM 79 C THR A 6 15.095 -5.109 -0.049 1.00 12.15 C ATOM 80 O THR A 6 14.289 -4.537 0.695 1.00 41.04 O ATOM 81 CB THR A 6 16.870 -6.813 0.553 1.00 54.04 C ATOM 82 OG1 THR A 6 16.102 -7.320 1.636 1.00 25.14 O ATOM 83 CG2 THR A 6 18.359 -7.048 0.814 1.00 73.24 C ATOM 0 H THR A 6 16.211 -5.122 2.406 1.00 65.14 H new ATOM 0 HA THR A 6 17.194 -4.889 -0.383 1.00 51.15 H new ATOM 0 HB THR A 6 16.616 -7.331 -0.372 1.00 54.04 H new ATOM 0 HG1 THR A 6 16.293 -8.274 1.754 1.00 25.14 H new ATOM 0 HG21 THR A 6 18.545 -8.116 0.927 1.00 73.24 H new ATOM 0 HG22 THR A 6 18.940 -6.665 -0.025 1.00 73.24 H new ATOM 0 HG23 THR A 6 18.655 -6.530 1.727 1.00 73.24 H new ATOM 91 N ASN A 7 14.740 -5.610 -1.232 1.00 60.21 N ATOM 92 CA ASN A 7 13.374 -5.639 -1.751 1.00 74.14 C ATOM 93 C ASN A 7 12.422 -6.275 -0.748 1.00 31.45 C ATOM 94 O ASN A 7 11.458 -5.629 -0.341 1.00 11.32 O ATOM 95 CB ASN A 7 13.363 -6.433 -3.068 1.00 34.13 C ATOM 96 CG ASN A 7 12.965 -5.639 -4.295 1.00 32.25 C ATOM 97 OD1 ASN A 7 12.274 -6.137 -5.176 1.00 44.32 O ATOM 98 ND2 ASN A 7 13.380 -4.392 -4.414 1.00 62.42 N ATOM 0 H ASN A 7 15.417 -6.020 -1.875 1.00 60.21 H new ATOM 0 HA ASN A 7 13.037 -4.618 -1.927 1.00 74.14 H new ATOM 0 HB2 ASN A 7 14.357 -6.850 -3.231 1.00 34.13 H new ATOM 0 HB3 ASN A 7 12.678 -7.274 -2.961 1.00 34.13 H new ATOM 0 HD21 ASN A 7 13.125 -3.846 -5.237 1.00 62.42 H new ATOM 0 HD22 ASN A 7 13.955 -3.974 -3.683 1.00 62.42 H new ATOM 105 N GLY A 8 12.706 -7.516 -0.333 1.00 43.11 N ATOM 106 CA GLY A 8 11.877 -8.250 0.615 1.00 20.20 C ATOM 107 C GLY A 8 11.666 -7.450 1.900 1.00 64.52 C ATOM 108 O GLY A 8 10.543 -7.371 2.399 1.00 14.43 O ATOM 0 H GLY A 8 13.523 -8.037 -0.651 1.00 43.11 H new ATOM 0 HA2 GLY A 8 10.912 -8.474 0.161 1.00 20.20 H new ATOM 0 HA3 GLY A 8 12.348 -9.204 0.851 1.00 20.20 H new ATOM 112 N GLN A 9 12.730 -6.831 2.428 1.00 14.00 N ATOM 113 CA GLN A 9 12.641 -5.985 3.614 1.00 52.41 C ATOM 114 C GLN A 9 11.711 -4.789 3.377 1.00 34.20 C ATOM 115 O GLN A 9 10.812 -4.553 4.182 1.00 52.53 O ATOM 116 CB GLN A 9 14.023 -5.520 4.058 1.00 72.25 C ATOM 117 CG GLN A 9 14.599 -6.493 5.087 1.00 13.30 C ATOM 118 CD GLN A 9 16.072 -6.197 5.260 1.00 11.01 C ATOM 119 OE1 GLN A 9 16.474 -5.292 5.987 1.00 25.40 O ATOM 120 NE2 GLN A 9 16.901 -6.874 4.495 1.00 34.41 N ATOM 0 H GLN A 9 13.672 -6.905 2.043 1.00 14.00 H new ATOM 0 HA GLN A 9 12.212 -6.585 4.417 1.00 52.41 H new ATOM 0 HB2 GLN A 9 14.687 -5.454 3.196 1.00 72.25 H new ATOM 0 HB3 GLN A 9 13.958 -4.520 4.488 1.00 72.25 H new ATOM 0 HG2 GLN A 9 14.078 -6.389 6.039 1.00 13.30 H new ATOM 0 HG3 GLN A 9 14.456 -7.522 4.756 1.00 13.30 H new ATOM 0 HE21 GLN A 9 16.548 -7.622 3.898 1.00 34.41 H new ATOM 0 HE22 GLN A 9 17.896 -6.651 4.499 1.00 34.41 H new ATOM 129 N LEU A 10 11.929 -4.008 2.310 1.00 33.41 N ATOM 130 CA LEU A 10 11.147 -2.817 2.007 1.00 53.33 C ATOM 131 C LEU A 10 9.682 -3.168 1.834 1.00 63.32 C ATOM 132 O LEU A 10 8.830 -2.573 2.486 1.00 22.31 O ATOM 133 CB LEU A 10 11.674 -2.147 0.731 1.00 74.55 C ATOM 134 CG LEU A 10 11.003 -0.801 0.386 1.00 42.02 C ATOM 135 CD1 LEU A 10 10.749 0.085 1.610 1.00 73.24 C ATOM 136 CD2 LEU A 10 11.885 0.004 -0.577 1.00 31.13 C ATOM 0 H LEU A 10 12.665 -4.194 1.629 1.00 33.41 H new ATOM 0 HA LEU A 10 11.244 -2.123 2.842 1.00 53.33 H new ATOM 0 HB2 LEU A 10 12.747 -1.986 0.838 1.00 74.55 H new ATOM 0 HB3 LEU A 10 11.536 -2.831 -0.106 1.00 74.55 H new ATOM 0 HG LEU A 10 10.045 -1.063 -0.062 1.00 42.02 H new ATOM 0 HD11 LEU A 10 10.276 1.015 1.294 1.00 73.24 H new ATOM 0 HD12 LEU A 10 10.094 -0.437 2.307 1.00 73.24 H new ATOM 0 HD13 LEU A 10 11.697 0.309 2.100 1.00 73.24 H new ATOM 0 HD21 LEU A 10 11.398 0.951 -0.811 1.00 31.13 H new ATOM 0 HD22 LEU A 10 12.851 0.198 -0.110 1.00 31.13 H new ATOM 0 HD23 LEU A 10 12.034 -0.564 -1.495 1.00 31.13 H new ATOM 148 N TRP A 11 9.402 -4.147 0.979 1.00 75.34 N ATOM 149 CA TRP A 11 8.047 -4.596 0.711 1.00 60.35 C ATOM 150 C TRP A 11 7.343 -4.948 2.017 1.00 0.00 C ATOM 151 O TRP A 11 6.245 -4.455 2.256 1.00 61.14 O ATOM 152 CB TRP A 11 8.062 -5.761 -0.278 1.00 31.24 C ATOM 153 CG TRP A 11 6.733 -6.397 -0.529 1.00 0.21 C ATOM 154 CD1 TRP A 11 5.878 -6.122 -1.538 1.00 53.55 C ATOM 155 CD2 TRP A 11 6.114 -7.463 0.238 1.00 22.54 C ATOM 156 NE1 TRP A 11 4.740 -6.890 -1.394 1.00 20.10 N ATOM 157 CE2 TRP A 11 4.823 -7.726 -0.302 1.00 13.32 C ATOM 158 CE3 TRP A 11 6.548 -8.246 1.325 1.00 63.44 C ATOM 159 CZ2 TRP A 11 3.967 -8.691 0.245 1.00 11.25 C ATOM 160 CZ3 TRP A 11 5.715 -9.245 1.856 1.00 60.53 C ATOM 161 CH2 TRP A 11 4.420 -9.439 1.349 1.00 4.33 C ATOM 0 H TRP A 11 10.115 -4.651 0.452 1.00 75.34 H new ATOM 0 HA TRP A 11 7.480 -3.789 0.247 1.00 60.35 H new ATOM 0 HB2 TRP A 11 8.463 -5.406 -1.228 1.00 31.24 H new ATOM 0 HB3 TRP A 11 8.748 -6.523 0.092 1.00 31.24 H new ATOM 0 HD1 TRP A 11 6.057 -5.413 -2.333 1.00 53.55 H new ATOM 0 HE1 TRP A 11 3.936 -6.844 -2.020 1.00 20.10 H new ATOM 0 HE3 TRP A 11 7.525 -8.078 1.752 1.00 63.44 H new ATOM 0 HZ2 TRP A 11 2.984 -8.857 -0.170 1.00 11.25 H new ATOM 0 HZ3 TRP A 11 6.074 -9.869 2.661 1.00 60.53 H new ATOM 0 HH2 TRP A 11 3.767 -10.166 1.809 1.00 4.33 H new ATOM 172 N LYS A 12 7.952 -5.724 2.918 1.00 74.53 N ATOM 173 CA LYS A 12 7.297 -6.066 4.186 1.00 42.34 C ATOM 174 C LYS A 12 7.164 -4.844 5.100 1.00 11.13 C ATOM 175 O LYS A 12 6.136 -4.693 5.757 1.00 60.43 O ATOM 176 CB LYS A 12 8.068 -7.219 4.860 1.00 2.32 C ATOM 177 CG LYS A 12 7.221 -8.483 5.022 1.00 4.10 C ATOM 178 CD LYS A 12 6.486 -8.626 6.360 1.00 44.34 C ATOM 179 CE LYS A 12 7.383 -8.939 7.568 1.00 71.14 C ATOM 180 NZ LYS A 12 7.640 -7.744 8.390 1.00 52.53 N ATOM 0 H LYS A 12 8.883 -6.123 2.798 1.00 74.53 H new ATOM 0 HA LYS A 12 6.279 -6.401 3.985 1.00 42.34 H new ATOM 0 HB2 LYS A 12 8.953 -7.453 4.268 1.00 2.32 H new ATOM 0 HB3 LYS A 12 8.417 -6.893 5.840 1.00 2.32 H new ATOM 0 HG2 LYS A 12 6.484 -8.509 4.219 1.00 4.10 H new ATOM 0 HG3 LYS A 12 7.868 -9.350 4.889 1.00 4.10 H new ATOM 0 HD2 LYS A 12 5.944 -7.701 6.560 1.00 44.34 H new ATOM 0 HD3 LYS A 12 5.742 -9.417 6.265 1.00 44.34 H new ATOM 0 HE2 LYS A 12 6.910 -9.706 8.181 1.00 71.14 H new ATOM 0 HE3 LYS A 12 8.331 -9.349 7.219 1.00 71.14 H new ATOM 0 HZ1 LYS A 12 7.927 -8.036 9.346 1.00 52.53 H new ATOM 0 HZ2 LYS A 12 8.400 -7.181 7.957 1.00 52.53 H new ATOM 0 HZ3 LYS A 12 6.775 -7.170 8.449 1.00 52.53 H new ATOM 194 N LYS A 13 8.143 -3.935 5.098 1.00 13.05 N ATOM 195 CA LYS A 13 8.044 -2.620 5.745 1.00 5.24 C ATOM 196 C LYS A 13 6.993 -1.701 5.108 1.00 20.23 C ATOM 197 O LYS A 13 6.755 -0.617 5.646 1.00 60.21 O ATOM 198 CB LYS A 13 9.412 -1.913 5.793 1.00 71.51 C ATOM 199 CG LYS A 13 10.340 -2.520 6.856 1.00 41.31 C ATOM 200 CD LYS A 13 11.576 -1.659 7.152 1.00 63.33 C ATOM 201 CE LYS A 13 12.516 -1.538 5.944 1.00 42.54 C ATOM 202 NZ LYS A 13 13.915 -1.268 6.348 1.00 4.05 N ATOM 0 H LYS A 13 9.041 -4.093 4.640 1.00 13.05 H new ATOM 0 HA LYS A 13 7.710 -2.821 6.763 1.00 5.24 H new ATOM 0 HB2 LYS A 13 9.889 -1.981 4.815 1.00 71.51 H new ATOM 0 HB3 LYS A 13 9.265 -0.854 6.003 1.00 71.51 H new ATOM 0 HG2 LYS A 13 9.778 -2.664 7.779 1.00 41.31 H new ATOM 0 HG3 LYS A 13 10.665 -3.506 6.523 1.00 41.31 H new ATOM 0 HD2 LYS A 13 11.255 -0.663 7.459 1.00 63.33 H new ATOM 0 HD3 LYS A 13 12.122 -2.091 7.991 1.00 63.33 H new ATOM 0 HE2 LYS A 13 12.479 -2.460 5.363 1.00 42.54 H new ATOM 0 HE3 LYS A 13 12.167 -0.737 5.293 1.00 42.54 H new ATOM 0 HZ1 LYS A 13 14.475 -1.010 5.510 1.00 4.05 H new ATOM 0 HZ2 LYS A 13 13.934 -0.484 7.031 1.00 4.05 H new ATOM 0 HZ3 LYS A 13 14.320 -2.120 6.787 1.00 4.05 H new ATOM 216 N VAL A 14 6.340 -2.101 4.019 1.00 41.31 N ATOM 217 CA VAL A 14 5.112 -1.489 3.517 1.00 1.01 C ATOM 218 C VAL A 14 3.903 -2.382 3.841 1.00 73.15 C ATOM 219 O VAL A 14 2.847 -1.856 4.191 1.00 21.13 O ATOM 220 CB VAL A 14 5.262 -1.156 2.012 1.00 24.33 C ATOM 221 CG1 VAL A 14 3.977 -0.593 1.389 1.00 51.25 C ATOM 222 CG2 VAL A 14 6.379 -0.119 1.793 1.00 62.43 C ATOM 0 H VAL A 14 6.660 -2.882 3.446 1.00 41.31 H new ATOM 0 HA VAL A 14 4.929 -0.540 4.022 1.00 1.01 H new ATOM 0 HB VAL A 14 5.501 -2.102 1.526 1.00 24.33 H new ATOM 0 HG11 VAL A 14 4.147 -0.380 0.334 1.00 51.25 H new ATOM 0 HG12 VAL A 14 3.175 -1.324 1.487 1.00 51.25 H new ATOM 0 HG13 VAL A 14 3.695 0.326 1.904 1.00 51.25 H new ATOM 0 HG21 VAL A 14 6.468 0.101 0.729 1.00 62.43 H new ATOM 0 HG22 VAL A 14 6.137 0.796 2.334 1.00 62.43 H new ATOM 0 HG23 VAL A 14 7.324 -0.519 2.161 1.00 62.43 H new ATOM 232 N LYS A 15 4.031 -3.715 3.779 1.00 20.41 N ATOM 233 CA LYS A 15 2.884 -4.622 3.849 1.00 60.42 C ATOM 234 C LYS A 15 2.200 -4.472 5.205 1.00 13.33 C ATOM 235 O LYS A 15 0.974 -4.486 5.309 1.00 73.34 O ATOM 236 CB LYS A 15 3.272 -6.079 3.520 1.00 64.13 C ATOM 237 CG LYS A 15 3.769 -6.949 4.664 1.00 3.41 C ATOM 238 CD LYS A 15 2.616 -7.704 5.348 1.00 63.25 C ATOM 239 CE LYS A 15 2.976 -8.184 6.754 1.00 62.13 C ATOM 240 NZ LYS A 15 2.844 -9.644 6.936 1.00 40.45 N ATOM 0 H LYS A 15 4.928 -4.189 3.679 1.00 20.41 H new ATOM 0 HA LYS A 15 2.164 -4.344 3.079 1.00 60.42 H new ATOM 0 HB2 LYS A 15 2.403 -6.567 3.079 1.00 64.13 H new ATOM 0 HB3 LYS A 15 4.047 -6.056 2.754 1.00 64.13 H new ATOM 0 HG2 LYS A 15 4.499 -7.665 4.286 1.00 3.41 H new ATOM 0 HG3 LYS A 15 4.282 -6.327 5.397 1.00 3.41 H new ATOM 0 HD2 LYS A 15 1.743 -7.053 5.403 1.00 63.25 H new ATOM 0 HD3 LYS A 15 2.336 -8.562 4.737 1.00 63.25 H new ATOM 0 HE2 LYS A 15 4.002 -7.890 6.977 1.00 62.13 H new ATOM 0 HE3 LYS A 15 2.336 -7.678 7.476 1.00 62.13 H new ATOM 0 HZ1 LYS A 15 3.152 -9.904 7.895 1.00 40.45 H new ATOM 0 HZ2 LYS A 15 1.850 -9.922 6.805 1.00 40.45 H new ATOM 0 HZ3 LYS A 15 3.436 -10.136 6.237 1.00 40.45 H new ATOM 254 N ASP A 16 3.013 -4.345 6.252 1.00 21.14 N ATOM 255 CA ASP A 16 2.611 -4.249 7.652 1.00 15.03 C ATOM 256 C ASP A 16 1.842 -2.953 7.943 1.00 0.02 C ATOM 257 O ASP A 16 1.262 -2.813 9.021 1.00 45.01 O ATOM 258 CB ASP A 16 3.844 -4.366 8.567 1.00 14.01 C ATOM 259 CG ASP A 16 4.213 -5.812 8.886 1.00 52.13 C ATOM 260 OD1 ASP A 16 3.369 -6.548 9.446 1.00 71.54 O ATOM 261 OD2 ASP A 16 5.358 -6.214 8.571 1.00 71.14 O ATOM 0 H ASP A 16 4.026 -4.304 6.139 1.00 21.14 H new ATOM 0 HA ASP A 16 1.933 -5.077 7.859 1.00 15.03 H new ATOM 0 HB2 ASP A 16 4.693 -3.877 8.089 1.00 14.01 H new ATOM 0 HB3 ASP A 16 3.651 -3.832 9.497 1.00 14.01 H new ATOM 266 N SER A 17 1.798 -2.006 7.005 1.00 40.53 N ATOM 267 CA SER A 17 0.963 -0.827 7.085 1.00 54.02 C ATOM 268 C SER A 17 -0.498 -1.264 7.000 1.00 20.53 C ATOM 269 O SER A 17 -1.262 -1.083 7.949 1.00 63.54 O ATOM 270 CB SER A 17 1.389 0.193 6.022 1.00 34.40 C ATOM 271 OG SER A 17 0.655 1.380 6.179 1.00 51.44 O ATOM 0 H SER A 17 2.358 -2.047 6.153 1.00 40.53 H new ATOM 0 HA SER A 17 1.083 -0.311 8.037 1.00 54.02 H new ATOM 0 HB2 SER A 17 2.456 0.400 6.111 1.00 34.40 H new ATOM 0 HB3 SER A 17 1.226 -0.217 5.025 1.00 34.40 H new ATOM 0 HG SER A 17 1.102 2.107 5.698 1.00 51.44 H new ATOM 277 N LEU A 18 -0.878 -1.896 5.889 1.00 4.24 N ATOM 278 CA LEU A 18 -2.255 -2.266 5.574 1.00 43.02 C ATOM 279 C LEU A 18 -2.803 -3.363 6.483 1.00 40.43 C ATOM 280 O LEU A 18 -4.013 -3.542 6.530 1.00 31.31 O ATOM 281 CB LEU A 18 -2.369 -2.657 4.092 1.00 11.21 C ATOM 282 CG LEU A 18 -2.152 -1.513 3.080 1.00 23.25 C ATOM 283 CD1 LEU A 18 -2.881 -0.239 3.516 1.00 61.34 C ATOM 284 CD2 LEU A 18 -0.679 -1.169 2.830 1.00 44.12 C ATOM 0 H LEU A 18 -0.216 -2.172 5.164 1.00 4.24 H new ATOM 0 HA LEU A 18 -2.876 -1.390 5.760 1.00 43.02 H new ATOM 0 HB2 LEU A 18 -1.642 -3.443 3.886 1.00 11.21 H new ATOM 0 HB3 LEU A 18 -3.357 -3.084 3.923 1.00 11.21 H new ATOM 0 HG LEU A 18 -2.566 -1.891 2.145 1.00 23.25 H new ATOM 0 HD11 LEU A 18 -2.708 0.548 2.782 1.00 61.34 H new ATOM 0 HD12 LEU A 18 -3.950 -0.439 3.589 1.00 61.34 H new ATOM 0 HD13 LEU A 18 -2.504 0.082 4.487 1.00 61.34 H new ATOM 0 HD21 LEU A 18 -0.613 -0.356 2.107 1.00 44.12 H new ATOM 0 HD22 LEU A 18 -0.213 -0.861 3.766 1.00 44.12 H new ATOM 0 HD23 LEU A 18 -0.162 -2.045 2.439 1.00 44.12 H new ATOM 296 N ILE A 19 -1.932 -4.039 7.234 1.00 32.40 N ATOM 297 CA ILE A 19 -2.309 -4.926 8.331 1.00 14.13 C ATOM 298 C ILE A 19 -3.175 -4.171 9.338 1.00 21.10 C ATOM 299 O ILE A 19 -4.125 -4.733 9.873 1.00 12.44 O ATOM 300 CB ILE A 19 -1.031 -5.464 9.018 1.00 54.35 C ATOM 301 CG1 ILE A 19 -0.226 -6.412 8.117 1.00 43.12 C ATOM 302 CG2 ILE A 19 -1.276 -6.099 10.395 1.00 54.23 C ATOM 303 CD1 ILE A 19 -0.891 -7.740 7.810 1.00 33.20 C ATOM 0 H ILE A 19 -0.924 -3.982 7.092 1.00 32.40 H new ATOM 0 HA ILE A 19 -2.884 -5.765 7.940 1.00 14.13 H new ATOM 0 HB ILE A 19 -0.429 -4.572 9.193 1.00 54.35 H new ATOM 0 HG12 ILE A 19 -0.019 -5.903 7.176 1.00 43.12 H new ATOM 0 HG13 ILE A 19 0.735 -6.608 8.592 1.00 43.12 H new ATOM 0 HG21 ILE A 19 -0.330 -6.450 10.807 1.00 54.23 H new ATOM 0 HG22 ILE A 19 -1.711 -5.358 11.065 1.00 54.23 H new ATOM 0 HG23 ILE A 19 -1.961 -6.940 10.291 1.00 54.23 H new ATOM 0 HD11 ILE A 19 -0.240 -8.333 7.168 1.00 33.20 H new ATOM 0 HD12 ILE A 19 -1.073 -8.279 8.740 1.00 33.20 H new ATOM 0 HD13 ILE A 19 -1.839 -7.563 7.302 1.00 33.20 H new ATOM 315 N ASP A 20 -2.822 -2.928 9.664 1.00 55.04 N ATOM 316 CA ASP A 20 -3.445 -2.253 10.798 1.00 33.34 C ATOM 317 C ASP A 20 -4.899 -1.902 10.519 1.00 35.42 C ATOM 318 O ASP A 20 -5.732 -1.914 11.425 1.00 35.43 O ATOM 319 CB ASP A 20 -2.678 -0.980 11.126 1.00 2.41 C ATOM 320 CG ASP A 20 -2.977 -0.557 12.561 1.00 3.33 C ATOM 321 OD1 ASP A 20 -3.959 0.171 12.801 1.00 41.02 O ATOM 322 OD2 ASP A 20 -2.214 -1.001 13.450 1.00 61.43 O ATOM 0 H ASP A 20 -2.121 -2.378 9.168 1.00 55.04 H new ATOM 0 HA ASP A 20 -3.417 -2.940 11.644 1.00 33.34 H new ATOM 0 HB2 ASP A 20 -1.608 -1.146 11.001 1.00 2.41 H new ATOM 0 HB3 ASP A 20 -2.961 -0.185 10.436 1.00 2.41 H new ATOM 327 N SER A 21 -5.196 -1.611 9.255 1.00 65.11 N ATOM 328 CA SER A 21 -6.489 -1.153 8.796 1.00 65.42 C ATOM 329 C SER A 21 -7.261 -2.316 8.154 1.00 35.43 C ATOM 330 O SER A 21 -6.762 -3.433 7.986 1.00 1.02 O ATOM 331 CB SER A 21 -6.226 -0.011 7.813 1.00 11.00 C ATOM 332 OG SER A 21 -7.410 0.593 7.324 1.00 65.42 O ATOM 0 H SER A 21 -4.513 -1.693 8.502 1.00 65.11 H new ATOM 0 HA SER A 21 -7.110 -0.792 9.616 1.00 65.42 H new ATOM 0 HB2 SER A 21 -5.616 0.747 8.303 1.00 11.00 H new ATOM 0 HB3 SER A 21 -5.647 -0.392 6.972 1.00 11.00 H new ATOM 0 HG SER A 21 -7.237 1.536 7.123 1.00 65.42 H new ATOM 338 N ASN A 22 -8.495 -2.023 7.753 1.00 55.33 N ATOM 339 CA ASN A 22 -9.419 -2.921 7.080 1.00 43.13 C ATOM 340 C ASN A 22 -9.255 -2.789 5.563 1.00 52.43 C ATOM 341 O ASN A 22 -10.185 -2.388 4.845 1.00 0.03 O ATOM 342 CB ASN A 22 -10.838 -2.583 7.545 1.00 60.35 C ATOM 343 CG ASN A 22 -11.214 -3.333 8.796 1.00 4.15 C ATOM 344 OD1 ASN A 22 -11.216 -4.557 8.831 1.00 63.34 O ATOM 345 ND2 ASN A 22 -11.570 -2.605 9.829 1.00 61.31 N ATOM 0 H ASN A 22 -8.897 -1.097 7.899 1.00 55.33 H new ATOM 0 HA ASN A 22 -9.212 -3.961 7.332 1.00 43.13 H new ATOM 0 HB2 ASN A 22 -10.914 -1.511 7.728 1.00 60.35 H new ATOM 0 HB3 ASN A 22 -11.546 -2.822 6.752 1.00 60.35 H new ATOM 0 HD21 ASN A 22 -11.860 -3.057 10.696 1.00 61.31 H new ATOM 0 HD22 ASN A 22 -11.556 -1.587 9.765 1.00 61.31 H new ATOM 352 N ILE A 23 -8.046 -3.053 5.059 1.00 41.22 N ATOM 353 CA ILE A 23 -7.701 -2.846 3.650 1.00 43.32 C ATOM 354 C ILE A 23 -7.280 -4.187 3.029 1.00 23.31 C ATOM 355 O ILE A 23 -7.644 -4.469 1.883 1.00 61.15 O ATOM 356 CB ILE A 23 -6.668 -1.691 3.533 1.00 55.04 C ATOM 357 CG1 ILE A 23 -7.239 -0.367 4.108 1.00 4.42 C ATOM 358 CG2 ILE A 23 -6.280 -1.419 2.070 1.00 15.53 C ATOM 359 CD1 ILE A 23 -6.181 0.710 4.386 1.00 61.45 C ATOM 0 H ILE A 23 -7.276 -3.418 5.620 1.00 41.22 H new ATOM 0 HA ILE A 23 -8.558 -2.516 3.063 1.00 43.32 H new ATOM 0 HB ILE A 23 -5.794 -2.012 4.099 1.00 55.04 H new ATOM 0 HG12 ILE A 23 -7.972 0.033 3.408 1.00 4.42 H new ATOM 0 HG13 ILE A 23 -7.770 -0.586 5.035 1.00 4.42 H new ATOM 0 HG21 ILE A 23 -5.556 -0.605 2.031 1.00 15.53 H new ATOM 0 HG22 ILE A 23 -5.839 -2.317 1.637 1.00 15.53 H new ATOM 0 HG23 ILE A 23 -7.169 -1.142 1.503 1.00 15.53 H new ATOM 0 HD11 ILE A 23 -6.665 1.601 4.785 1.00 61.45 H new ATOM 0 HD12 ILE A 23 -5.460 0.333 5.111 1.00 61.45 H new ATOM 0 HD13 ILE A 23 -5.666 0.962 3.459 1.00 61.45 H new ATOM 371 N ILE A 24 -6.605 -5.066 3.776 1.00 11.53 N ATOM 372 CA ILE A 24 -6.212 -6.406 3.351 1.00 24.20 C ATOM 373 C ILE A 24 -6.494 -7.371 4.511 1.00 20.35 C ATOM 374 O ILE A 24 -6.494 -6.948 5.667 1.00 4.21 O ATOM 375 CB ILE A 24 -4.730 -6.401 2.890 1.00 52.03 C ATOM 376 CG1 ILE A 24 -3.737 -5.922 3.969 1.00 74.24 C ATOM 377 CG2 ILE A 24 -4.514 -5.499 1.658 1.00 0.10 C ATOM 378 CD1 ILE A 24 -3.207 -7.015 4.885 1.00 31.34 C ATOM 0 H ILE A 24 -6.308 -4.852 4.728 1.00 11.53 H new ATOM 0 HA ILE A 24 -6.789 -6.742 2.489 1.00 24.20 H new ATOM 0 HB ILE A 24 -4.529 -7.447 2.658 1.00 52.03 H new ATOM 0 HG12 ILE A 24 -2.892 -5.441 3.476 1.00 74.24 H new ATOM 0 HG13 ILE A 24 -4.225 -5.162 4.579 1.00 74.24 H new ATOM 0 HG21 ILE A 24 -3.463 -5.524 1.368 1.00 0.10 H new ATOM 0 HG22 ILE A 24 -5.127 -5.859 0.832 1.00 0.10 H new ATOM 0 HG23 ILE A 24 -4.799 -4.476 1.902 1.00 0.10 H new ATOM 0 HD11 ILE A 24 -2.517 -6.581 5.609 1.00 31.34 H new ATOM 0 HD12 ILE A 24 -4.039 -7.483 5.412 1.00 31.34 H new ATOM 0 HD13 ILE A 24 -2.685 -7.766 4.292 1.00 31.34 H new ATOM 390 N SER A 25 -6.725 -8.648 4.210 1.00 13.53 N ATOM 391 CA SER A 25 -6.784 -9.753 5.162 1.00 4.42 C ATOM 392 C SER A 25 -5.388 -10.336 5.441 1.00 4.34 C ATOM 393 O SER A 25 -5.193 -10.975 6.469 1.00 73.11 O ATOM 394 CB SER A 25 -7.666 -10.875 4.598 1.00 34.40 C ATOM 395 OG SER A 25 -8.877 -10.385 4.048 1.00 34.21 O ATOM 0 H SER A 25 -6.883 -8.953 3.250 1.00 13.53 H new ATOM 0 HA SER A 25 -7.198 -9.362 6.091 1.00 4.42 H new ATOM 0 HB2 SER A 25 -7.114 -11.416 3.830 1.00 34.40 H new ATOM 0 HB3 SER A 25 -7.892 -11.589 5.390 1.00 34.40 H new ATOM 0 HG SER A 25 -9.410 -9.964 4.754 1.00 34.21 H new ATOM 401 N GLY A 26 -4.400 -10.143 4.561 1.00 0.25 N ATOM 402 CA GLY A 26 -3.048 -10.647 4.771 1.00 60.35 C ATOM 403 C GLY A 26 -2.962 -12.172 4.694 1.00 5.34 C ATOM 404 O GLY A 26 -2.150 -12.769 5.403 1.00 62.41 O ATOM 0 H GLY A 26 -4.520 -9.633 3.686 1.00 0.25 H new ATOM 0 HA2 GLY A 26 -2.384 -10.213 4.024 1.00 60.35 H new ATOM 0 HA3 GLY A 26 -2.690 -10.317 5.746 1.00 60.35 H new ATOM 408 N ASN A 27 -3.765 -12.792 3.829 1.00 0.00 N ATOM 409 CA ASN A 27 -3.778 -14.237 3.608 1.00 52.21 C ATOM 410 C ASN A 27 -3.048 -14.573 2.310 1.00 42.32 C ATOM 411 O ASN A 27 -2.553 -13.683 1.614 1.00 25.40 O ATOM 412 CB ASN A 27 -5.228 -14.755 3.623 1.00 63.24 C ATOM 413 CG ASN A 27 -5.901 -14.650 4.988 1.00 54.21 C ATOM 414 OD1 ASN A 27 -5.254 -14.616 6.030 1.00 4.31 O ATOM 415 ND2 ASN A 27 -7.220 -14.568 5.016 1.00 12.05 N ATOM 0 H ASN A 27 -4.439 -12.292 3.250 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.246 -14.742 4.414 1.00 52.21 H new ATOM 0 HB2 ASN A 27 -5.813 -14.193 2.895 1.00 63.24 H new ATOM 0 HB3 ASN A 27 -5.236 -15.797 3.303 1.00 63.24 H new ATOM 0 HD21 ASN A 27 -7.706 -14.476 5.908 1.00 12.05 H new ATOM 0 HD22 ASN A 27 -7.751 -14.597 4.146 1.00 12.05 H new ATOM 422 N GLU A 28 -2.968 -15.863 1.977 1.00 2.21 N ATOM 423 CA GLU A 28 -2.229 -16.393 0.824 1.00 35.34 C ATOM 424 C GLU A 28 -2.930 -16.128 -0.516 1.00 51.43 C ATOM 425 O GLU A 28 -2.612 -16.754 -1.523 1.00 44.01 O ATOM 426 CB GLU A 28 -1.956 -17.894 1.022 1.00 44.12 C ATOM 427 CG GLU A 28 -3.220 -18.777 1.035 1.00 2.30 C ATOM 428 CD GLU A 28 -3.767 -18.917 2.452 1.00 43.11 C ATOM 429 OE1 GLU A 28 -3.191 -19.718 3.223 1.00 0.10 O ATOM 430 OE2 GLU A 28 -4.724 -18.175 2.786 1.00 33.23 O ATOM 0 H GLU A 28 -3.430 -16.593 2.519 1.00 2.21 H new ATOM 0 HA GLU A 28 -1.281 -15.857 0.774 1.00 35.34 H new ATOM 0 HB2 GLU A 28 -1.296 -18.238 0.226 1.00 44.12 H new ATOM 0 HB3 GLU A 28 -1.422 -18.032 1.962 1.00 44.12 H new ATOM 0 HG2 GLU A 28 -3.981 -18.341 0.388 1.00 2.30 H new ATOM 0 HG3 GLU A 28 -2.985 -19.762 0.632 1.00 2.30 H new ATOM 437 N ASN A 29 -3.928 -15.246 -0.534 1.00 62.11 N ATOM 438 CA ASN A 29 -4.769 -14.966 -1.680 1.00 1.54 C ATOM 439 C ASN A 29 -4.879 -13.467 -1.973 1.00 23.32 C ATOM 440 O ASN A 29 -5.654 -13.075 -2.846 1.00 61.41 O ATOM 441 CB ASN A 29 -6.128 -15.624 -1.452 1.00 4.13 C ATOM 442 CG ASN A 29 -7.004 -14.932 -0.417 1.00 20.13 C ATOM 443 OD1 ASN A 29 -6.570 -14.142 0.417 1.00 43.31 O ATOM 444 ND2 ASN A 29 -8.281 -15.249 -0.426 1.00 1.04 N ATOM 0 H ASN A 29 -4.176 -14.690 0.284 1.00 62.11 H new ATOM 0 HA ASN A 29 -4.313 -15.390 -2.575 1.00 1.54 H new ATOM 0 HB2 ASN A 29 -6.665 -15.655 -2.400 1.00 4.13 H new ATOM 0 HB3 ASN A 29 -5.969 -16.657 -1.142 1.00 4.13 H new ATOM 0 HD21 ASN A 29 -8.913 -14.838 0.261 1.00 1.04 H new ATOM 0 HD22 ASN A 29 -8.639 -15.905 -1.120 1.00 1.04 H new ATOM 451 N GLU A 30 -4.091 -12.632 -1.297 1.00 4.11 N ATOM 452 CA GLU A 30 -3.889 -11.231 -1.639 1.00 14.00 C ATOM 453 C GLU A 30 -2.413 -11.083 -1.997 1.00 41.03 C ATOM 454 O GLU A 30 -1.574 -11.689 -1.336 1.00 52.32 O ATOM 455 CB GLU A 30 -4.306 -10.331 -0.466 1.00 34.30 C ATOM 456 CG GLU A 30 -5.830 -10.354 -0.221 1.00 12.51 C ATOM 457 CD GLU A 30 -6.237 -9.532 1.004 1.00 22.35 C ATOM 458 OE1 GLU A 30 -5.531 -9.626 2.028 1.00 23.20 O ATOM 459 OE2 GLU A 30 -7.279 -8.819 0.976 1.00 20.12 O ATOM 0 H GLU A 30 -3.563 -12.923 -0.474 1.00 4.11 H new ATOM 0 HA GLU A 30 -4.505 -10.922 -2.484 1.00 14.00 H new ATOM 0 HB2 GLU A 30 -3.790 -10.655 0.438 1.00 34.30 H new ATOM 0 HB3 GLU A 30 -3.988 -9.308 -0.666 1.00 34.30 H new ATOM 0 HG2 GLU A 30 -6.343 -9.967 -1.102 1.00 12.51 H new ATOM 0 HG3 GLU A 30 -6.158 -11.385 -0.089 1.00 12.51 H new ATOM 466 N GLU A 31 -2.087 -10.286 -3.012 1.00 1.31 N ATOM 467 CA GLU A 31 -0.733 -9.998 -3.475 1.00 54.45 C ATOM 468 C GLU A 31 -0.573 -8.482 -3.515 1.00 60.25 C ATOM 469 O GLU A 31 -1.563 -7.750 -3.643 1.00 14.43 O ATOM 470 CB GLU A 31 -0.525 -10.591 -4.871 1.00 61.34 C ATOM 471 CG GLU A 31 0.930 -10.680 -5.351 1.00 4.12 C ATOM 472 CD GLU A 31 1.009 -10.662 -6.882 1.00 52.02 C ATOM 473 OE1 GLU A 31 0.107 -11.236 -7.541 1.00 60.33 O ATOM 474 OE2 GLU A 31 1.958 -10.048 -7.416 1.00 60.31 O ATOM 0 H GLU A 31 -2.796 -9.800 -3.561 1.00 1.31 H new ATOM 0 HA GLU A 31 0.006 -10.439 -2.806 1.00 54.45 H new ATOM 0 HB2 GLU A 31 -0.954 -11.593 -4.887 1.00 61.34 H new ATOM 0 HB3 GLU A 31 -1.087 -9.992 -5.587 1.00 61.34 H new ATOM 0 HG2 GLU A 31 1.502 -9.846 -4.945 1.00 4.12 H new ATOM 0 HG3 GLU A 31 1.386 -11.594 -4.971 1.00 4.12 H new ATOM 481 N ILE A 32 0.655 -7.994 -3.356 1.00 21.42 N ATOM 482 CA ILE A 32 0.958 -6.587 -3.154 1.00 52.23 C ATOM 483 C ILE A 32 2.198 -6.292 -3.978 1.00 44.51 C ATOM 484 O ILE A 32 3.229 -6.938 -3.786 1.00 74.12 O ATOM 485 CB ILE A 32 1.185 -6.313 -1.653 1.00 52.14 C ATOM 486 CG1 ILE A 32 -0.063 -6.610 -0.805 1.00 34.41 C ATOM 487 CG2 ILE A 32 1.571 -4.850 -1.408 1.00 45.33 C ATOM 488 CD1 ILE A 32 0.275 -7.247 0.545 1.00 73.53 C ATOM 0 H ILE A 32 1.486 -8.585 -3.365 1.00 21.42 H new ATOM 0 HA ILE A 32 0.139 -5.941 -3.470 1.00 52.23 H new ATOM 0 HB ILE A 32 1.993 -6.980 -1.354 1.00 52.14 H new ATOM 0 HG12 ILE A 32 -0.612 -5.683 -0.637 1.00 34.41 H new ATOM 0 HG13 ILE A 32 -0.724 -7.275 -1.360 1.00 34.41 H new ATOM 0 HG21 ILE A 32 1.724 -4.688 -0.341 1.00 45.33 H new ATOM 0 HG22 ILE A 32 2.491 -4.622 -1.946 1.00 45.33 H new ATOM 0 HG23 ILE A 32 0.772 -4.199 -1.763 1.00 45.33 H new ATOM 0 HD11 ILE A 32 -0.645 -7.434 1.100 1.00 73.53 H new ATOM 0 HD12 ILE A 32 0.798 -8.189 0.382 1.00 73.53 H new ATOM 0 HD13 ILE A 32 0.912 -6.572 1.116 1.00 73.53 H new ATOM 500 N THR A 33 2.098 -5.314 -4.871 1.00 11.54 N ATOM 501 CA THR A 33 3.140 -4.958 -5.827 1.00 52.21 C ATOM 502 C THR A 33 3.639 -3.538 -5.533 1.00 2.50 C ATOM 503 O THR A 33 2.993 -2.555 -5.907 1.00 2.12 O ATOM 504 CB THR A 33 2.611 -5.140 -7.256 1.00 25.44 C ATOM 505 OG1 THR A 33 2.072 -6.438 -7.426 1.00 60.14 O ATOM 506 CG2 THR A 33 3.710 -4.953 -8.299 1.00 1.44 C ATOM 0 H THR A 33 1.266 -4.730 -4.952 1.00 11.54 H new ATOM 0 HA THR A 33 4.001 -5.619 -5.729 1.00 52.21 H new ATOM 0 HB THR A 33 1.842 -4.381 -7.400 1.00 25.44 H new ATOM 0 HG1 THR A 33 1.738 -6.536 -8.342 1.00 60.14 H new ATOM 0 HG21 THR A 33 3.292 -5.090 -9.296 1.00 1.44 H new ATOM 0 HG22 THR A 33 4.125 -3.948 -8.215 1.00 1.44 H new ATOM 0 HG23 THR A 33 4.499 -5.686 -8.132 1.00 1.44 H new ATOM 514 N VAL A 34 4.766 -3.423 -4.825 1.00 42.01 N ATOM 515 CA VAL A 34 5.330 -2.154 -4.358 1.00 62.12 C ATOM 516 C VAL A 34 6.413 -1.701 -5.334 1.00 12.22 C ATOM 517 O VAL A 34 7.498 -2.287 -5.351 1.00 0.22 O ATOM 518 CB VAL A 34 5.900 -2.311 -2.930 1.00 51.22 C ATOM 519 CG1 VAL A 34 6.499 -1.003 -2.396 1.00 21.41 C ATOM 520 CG2 VAL A 34 4.837 -2.765 -1.929 1.00 32.42 C ATOM 0 H VAL A 34 5.326 -4.231 -4.554 1.00 42.01 H new ATOM 0 HA VAL A 34 4.547 -1.396 -4.319 1.00 62.12 H new ATOM 0 HB VAL A 34 6.678 -3.069 -3.021 1.00 51.22 H new ATOM 0 HG11 VAL A 34 6.886 -1.164 -1.390 1.00 21.41 H new ATOM 0 HG12 VAL A 34 7.310 -0.681 -3.050 1.00 21.41 H new ATOM 0 HG13 VAL A 34 5.727 -0.234 -2.369 1.00 21.41 H new ATOM 0 HG21 VAL A 34 5.286 -2.861 -0.940 1.00 32.42 H new ATOM 0 HG22 VAL A 34 4.033 -2.029 -1.893 1.00 32.42 H new ATOM 0 HG23 VAL A 34 4.433 -3.729 -2.239 1.00 32.42 H new ATOM 530 N THR A 35 6.162 -0.646 -6.110 1.00 12.11 N ATOM 531 CA THR A 35 7.199 0.009 -6.890 1.00 3.54 C ATOM 532 C THR A 35 7.926 1.018 -5.984 1.00 1.34 C ATOM 533 O THR A 35 7.316 1.654 -5.117 1.00 32.31 O ATOM 534 CB THR A 35 6.585 0.639 -8.157 1.00 0.24 C ATOM 535 OG1 THR A 35 5.820 -0.308 -8.872 1.00 20.20 O ATOM 536 CG2 THR A 35 7.668 1.099 -9.143 1.00 31.40 C ATOM 0 H THR A 35 5.237 -0.227 -6.212 1.00 12.11 H new ATOM 0 HA THR A 35 7.943 -0.705 -7.244 1.00 3.54 H new ATOM 0 HB THR A 35 5.982 1.476 -7.806 1.00 0.24 H new ATOM 0 HG1 THR A 35 5.439 0.114 -9.670 1.00 20.20 H new ATOM 0 HG21 THR A 35 7.197 1.537 -10.023 1.00 31.40 H new ATOM 0 HG22 THR A 35 8.304 1.843 -8.664 1.00 31.40 H new ATOM 0 HG23 THR A 35 8.273 0.244 -9.444 1.00 31.40 H new ATOM 544 N TYR A 36 9.234 1.197 -6.178 1.00 61.41 N ATOM 545 CA TYR A 36 10.041 2.227 -5.524 1.00 5.10 C ATOM 546 C TYR A 36 11.180 2.649 -6.458 1.00 14.31 C ATOM 547 O TYR A 36 11.307 2.079 -7.543 1.00 2.25 O ATOM 548 CB TYR A 36 10.575 1.730 -4.173 1.00 32.33 C ATOM 549 CG TYR A 36 11.838 0.897 -4.289 1.00 24.13 C ATOM 550 CD1 TYR A 36 11.834 -0.330 -4.984 1.00 54.54 C ATOM 551 CD2 TYR A 36 13.050 1.436 -3.820 1.00 65.42 C ATOM 552 CE1 TYR A 36 13.053 -0.991 -5.239 1.00 54.24 C ATOM 553 CE2 TYR A 36 14.258 0.759 -4.036 1.00 1.13 C ATOM 554 CZ TYR A 36 14.271 -0.444 -4.770 1.00 12.13 C ATOM 555 OH TYR A 36 15.465 -1.053 -5.014 1.00 14.23 O ATOM 0 H TYR A 36 9.776 0.612 -6.813 1.00 61.41 H new ATOM 0 HA TYR A 36 9.417 3.097 -5.320 1.00 5.10 H new ATOM 0 HB2 TYR A 36 10.774 2.589 -3.532 1.00 32.33 H new ATOM 0 HB3 TYR A 36 9.803 1.138 -3.682 1.00 32.33 H new ATOM 0 HD1 TYR A 36 10.902 -0.761 -5.319 1.00 54.54 H new ATOM 0 HD2 TYR A 36 13.049 2.377 -3.290 1.00 65.42 H new ATOM 0 HE1 TYR A 36 13.057 -1.918 -5.794 1.00 54.24 H new ATOM 0 HE2 TYR A 36 15.179 1.159 -3.640 1.00 1.13 H new ATOM 0 HH TYR A 36 16.145 -0.374 -5.209 1.00 14.23 H new ATOM 565 N VAL A 37 11.998 3.625 -6.050 1.00 71.11 N ATOM 566 CA VAL A 37 13.006 4.275 -6.885 1.00 31.13 C ATOM 567 C VAL A 37 14.356 4.322 -6.140 1.00 24.10 C ATOM 568 O VAL A 37 14.435 4.562 -4.930 1.00 40.51 O ATOM 569 CB VAL A 37 12.503 5.686 -7.253 1.00 71.35 C ATOM 570 CG1 VAL A 37 13.334 6.359 -8.348 1.00 14.33 C ATOM 571 CG2 VAL A 37 11.033 5.746 -7.701 1.00 3.22 C ATOM 0 H VAL A 37 11.974 3.994 -5.099 1.00 71.11 H new ATOM 0 HA VAL A 37 13.165 3.711 -7.804 1.00 31.13 H new ATOM 0 HB VAL A 37 12.610 6.221 -6.310 1.00 71.35 H new ATOM 0 HG11 VAL A 37 12.926 7.348 -8.558 1.00 14.33 H new ATOM 0 HG12 VAL A 37 14.367 6.456 -8.013 1.00 14.33 H new ATOM 0 HG13 VAL A 37 13.302 5.753 -9.253 1.00 14.33 H new ATOM 0 HG21 VAL A 37 10.767 6.776 -7.939 1.00 3.22 H new ATOM 0 HG22 VAL A 37 10.896 5.122 -8.584 1.00 3.22 H new ATOM 0 HG23 VAL A 37 10.393 5.383 -6.897 1.00 3.22 H new ATOM 581 N ASN A 38 15.446 4.090 -6.870 1.00 40.54 N ATOM 582 CA ASN A 38 16.825 4.106 -6.382 1.00 33.42 C ATOM 583 C ASN A 38 17.476 5.472 -6.625 1.00 53.31 C ATOM 584 O ASN A 38 16.939 6.271 -7.387 1.00 3.50 O ATOM 585 CB ASN A 38 17.614 3.001 -7.106 1.00 0.01 C ATOM 586 CG ASN A 38 17.324 1.605 -6.566 1.00 32.22 C ATOM 587 OD1 ASN A 38 17.016 1.405 -5.399 1.00 2.12 O ATOM 588 ND2 ASN A 38 17.492 0.571 -7.369 1.00 60.34 N ATOM 0 H ASN A 38 15.389 3.875 -7.866 1.00 40.54 H new ATOM 0 HA ASN A 38 16.831 3.925 -5.307 1.00 33.42 H new ATOM 0 HB2 ASN A 38 17.375 3.029 -8.169 1.00 0.01 H new ATOM 0 HB3 ASN A 38 18.681 3.205 -7.014 1.00 0.01 H new ATOM 0 HD21 ASN A 38 17.365 -0.377 -7.014 1.00 60.34 H new ATOM 0 HD22 ASN A 38 17.749 0.720 -8.345 1.00 60.34 H new ATOM 595 N LYS A 39 18.668 5.735 -6.062 1.00 11.21 N ATOM 596 CA LYS A 39 19.385 7.020 -6.203 1.00 43.02 C ATOM 597 C LYS A 39 19.801 7.301 -7.650 1.00 24.44 C ATOM 598 O LYS A 39 20.076 8.443 -8.015 1.00 55.42 O ATOM 599 CB LYS A 39 20.641 7.056 -5.306 1.00 64.32 C ATOM 600 CG LYS A 39 20.326 7.367 -3.837 1.00 15.43 C ATOM 601 CD LYS A 39 21.526 7.879 -3.025 1.00 0.05 C ATOM 602 CE LYS A 39 21.782 9.370 -3.305 1.00 63.41 C ATOM 603 NZ LYS A 39 22.788 9.956 -2.392 1.00 22.31 N ATOM 0 H LYS A 39 19.169 5.055 -5.489 1.00 11.21 H new ATOM 0 HA LYS A 39 18.684 7.794 -5.890 1.00 43.02 H new ATOM 0 HB2 LYS A 39 21.150 6.094 -5.366 1.00 64.32 H new ATOM 0 HB3 LYS A 39 21.332 7.807 -5.689 1.00 64.32 H new ATOM 0 HG2 LYS A 39 19.532 8.113 -3.798 1.00 15.43 H new ATOM 0 HG3 LYS A 39 19.940 6.465 -3.362 1.00 15.43 H new ATOM 0 HD2 LYS A 39 21.340 7.731 -1.961 1.00 0.05 H new ATOM 0 HD3 LYS A 39 22.414 7.300 -3.277 1.00 0.05 H new ATOM 0 HE2 LYS A 39 22.118 9.490 -4.335 1.00 63.41 H new ATOM 0 HE3 LYS A 39 20.846 9.920 -3.209 1.00 63.41 H new ATOM 0 HZ1 LYS A 39 22.923 10.961 -2.623 1.00 22.31 H new ATOM 0 HZ2 LYS A 39 22.458 9.868 -1.410 1.00 22.31 H new ATOM 0 HZ3 LYS A 39 23.691 9.452 -2.501 1.00 22.31 H new ATOM 617 N THR A 40 19.848 6.264 -8.470 1.00 71.23 N ATOM 618 CA THR A 40 20.072 6.284 -9.903 1.00 20.13 C ATOM 619 C THR A 40 18.873 6.818 -10.684 1.00 64.35 C ATOM 620 O THR A 40 19.008 7.114 -11.874 1.00 11.53 O ATOM 621 CB THR A 40 20.322 4.830 -10.311 1.00 64.32 C ATOM 622 OG1 THR A 40 19.427 3.977 -9.608 1.00 22.12 O ATOM 623 CG2 THR A 40 21.761 4.444 -9.993 1.00 4.44 C ATOM 0 H THR A 40 19.720 5.314 -8.122 1.00 71.23 H new ATOM 0 HA THR A 40 20.908 6.946 -10.129 1.00 20.13 H new ATOM 0 HB THR A 40 20.154 4.723 -11.383 1.00 64.32 H new ATOM 0 HG1 THR A 40 19.129 3.256 -10.201 1.00 22.12 H new ATOM 0 HG21 THR A 40 21.933 3.408 -10.286 1.00 4.44 H new ATOM 0 HG22 THR A 40 22.442 5.094 -10.542 1.00 4.44 H new ATOM 0 HG23 THR A 40 21.939 4.553 -8.923 1.00 4.44 H new ATOM 631 N GLY A 41 17.699 6.921 -10.057 1.00 60.35 N ATOM 632 CA GLY A 41 16.461 7.196 -10.751 1.00 52.31 C ATOM 633 C GLY A 41 15.832 5.945 -11.367 1.00 71.31 C ATOM 634 O GLY A 41 14.781 6.062 -11.998 1.00 11.14 O ATOM 0 H GLY A 41 17.591 6.814 -9.048 1.00 60.35 H new ATOM 0 HA2 GLY A 41 15.753 7.647 -10.056 1.00 52.31 H new ATOM 0 HA3 GLY A 41 16.646 7.928 -11.537 1.00 52.31 H new ATOM 638 N TYR A 42 16.433 4.759 -11.229 1.00 65.32 N ATOM 639 CA TYR A 42 15.821 3.526 -11.716 1.00 1.20 C ATOM 640 C TYR A 42 14.789 3.054 -10.701 1.00 24.10 C ATOM 641 O TYR A 42 14.989 3.242 -9.501 1.00 21.13 O ATOM 642 CB TYR A 42 16.884 2.445 -11.960 1.00 72.52 C ATOM 643 CG TYR A 42 18.060 2.888 -12.814 1.00 12.34 C ATOM 644 CD1 TYR A 42 17.879 3.797 -13.878 1.00 32.43 C ATOM 645 CD2 TYR A 42 19.356 2.449 -12.486 1.00 24.55 C ATOM 646 CE1 TYR A 42 18.989 4.322 -14.556 1.00 32.52 C ATOM 647 CE2 TYR A 42 20.472 2.969 -13.164 1.00 3.23 C ATOM 648 CZ TYR A 42 20.291 3.922 -14.190 1.00 52.02 C ATOM 649 OH TYR A 42 21.366 4.473 -14.813 1.00 43.45 O ATOM 0 H TYR A 42 17.342 4.630 -10.784 1.00 65.32 H new ATOM 0 HA TYR A 42 15.330 3.718 -12.670 1.00 1.20 H new ATOM 0 HB2 TYR A 42 17.262 2.103 -10.996 1.00 72.52 H new ATOM 0 HB3 TYR A 42 16.408 1.589 -12.438 1.00 72.52 H new ATOM 0 HD1 TYR A 42 16.882 4.090 -14.172 1.00 32.43 H new ATOM 0 HD2 TYR A 42 19.494 1.710 -11.711 1.00 24.55 H new ATOM 0 HE1 TYR A 42 18.847 5.032 -15.357 1.00 32.52 H new ATOM 0 HE2 TYR A 42 21.466 2.640 -12.901 1.00 3.23 H new ATOM 0 HH TYR A 42 22.189 4.091 -14.444 1.00 43.45 H new ATOM 659 N SER A 43 13.726 2.397 -11.156 1.00 23.50 N ATOM 660 CA SER A 43 12.720 1.793 -10.303 1.00 32.15 C ATOM 661 C SER A 43 12.629 0.286 -10.542 1.00 15.22 C ATOM 662 O SER A 43 13.103 -0.217 -11.567 1.00 74.54 O ATOM 663 CB SER A 43 11.380 2.526 -10.483 1.00 3.03 C ATOM 664 OG SER A 43 11.156 3.107 -11.760 1.00 12.50 O ATOM 0 H SER A 43 13.540 2.270 -12.151 1.00 23.50 H new ATOM 0 HA SER A 43 13.008 1.906 -9.258 1.00 32.15 H new ATOM 0 HB2 SER A 43 10.573 1.822 -10.279 1.00 3.03 H new ATOM 0 HB3 SER A 43 11.315 3.312 -9.731 1.00 3.03 H new ATOM 0 HG SER A 43 11.188 4.084 -11.685 1.00 12.50 H new ATOM 670 N SER A 44 12.009 -0.434 -9.608 1.00 45.11 N ATOM 671 CA SER A 44 11.653 -1.849 -9.678 1.00 73.44 C ATOM 672 C SER A 44 10.381 -2.035 -8.837 1.00 71.24 C ATOM 673 O SER A 44 10.071 -1.153 -8.027 1.00 53.12 O ATOM 674 CB SER A 44 12.802 -2.716 -9.137 1.00 41.52 C ATOM 675 OG SER A 44 14.047 -2.401 -9.741 1.00 24.20 O ATOM 0 H SER A 44 11.723 -0.015 -8.723 1.00 45.11 H new ATOM 0 HA SER A 44 11.476 -2.158 -10.708 1.00 73.44 H new ATOM 0 HB2 SER A 44 12.880 -2.580 -8.058 1.00 41.52 H new ATOM 0 HB3 SER A 44 12.573 -3.768 -9.310 1.00 41.52 H new ATOM 0 HG SER A 44 14.747 -2.975 -9.366 1.00 24.20 H new ATOM 681 N SER A 45 9.670 -3.156 -9.003 1.00 20.32 N ATOM 682 CA SER A 45 8.477 -3.508 -8.240 1.00 54.22 C ATOM 683 C SER A 45 8.720 -4.825 -7.513 1.00 71.51 C ATOM 684 O SER A 45 8.995 -5.835 -8.161 1.00 65.41 O ATOM 685 CB SER A 45 7.220 -3.551 -9.127 1.00 3.42 C ATOM 686 OG SER A 45 7.457 -4.010 -10.451 1.00 73.21 O ATOM 0 H SER A 45 9.921 -3.862 -9.695 1.00 20.32 H new ATOM 0 HA SER A 45 8.286 -2.732 -7.499 1.00 54.22 H new ATOM 0 HB2 SER A 45 6.479 -4.198 -8.657 1.00 3.42 H new ATOM 0 HB3 SER A 45 6.787 -2.552 -9.173 1.00 3.42 H new ATOM 0 HG SER A 45 6.615 -4.012 -10.952 1.00 73.21 H new ATOM 692 N VAL A 46 8.679 -4.817 -6.177 1.00 13.10 N ATOM 693 CA VAL A 46 8.660 -6.070 -5.426 1.00 22.24 C ATOM 694 C VAL A 46 7.241 -6.621 -5.571 1.00 14.13 C ATOM 695 O VAL A 46 6.291 -5.830 -5.583 1.00 32.54 O ATOM 696 CB VAL A 46 8.945 -5.877 -3.917 1.00 63.41 C ATOM 697 CG1 VAL A 46 9.541 -7.164 -3.320 1.00 13.40 C ATOM 698 CG2 VAL A 46 9.758 -4.641 -3.528 1.00 71.51 C ATOM 0 H VAL A 46 8.659 -3.973 -5.605 1.00 13.10 H new ATOM 0 HA VAL A 46 9.436 -6.730 -5.814 1.00 22.24 H new ATOM 0 HB VAL A 46 7.969 -5.674 -3.475 1.00 63.41 H new ATOM 0 HG11 VAL A 46 9.737 -7.016 -2.258 1.00 13.40 H new ATOM 0 HG12 VAL A 46 8.835 -7.985 -3.447 1.00 13.40 H new ATOM 0 HG13 VAL A 46 10.473 -7.404 -3.831 1.00 13.40 H new ATOM 0 HG21 VAL A 46 9.890 -4.618 -2.446 1.00 71.51 H new ATOM 0 HG22 VAL A 46 10.734 -4.680 -4.012 1.00 71.51 H new ATOM 0 HG23 VAL A 46 9.230 -3.743 -3.848 1.00 71.51 H new ATOM 708 N SER A 47 7.079 -7.939 -5.560 1.00 15.53 N ATOM 709 CA SER A 47 5.797 -8.599 -5.399 1.00 41.24 C ATOM 710 C SER A 47 5.921 -9.604 -4.252 1.00 24.20 C ATOM 711 O SER A 47 7.038 -10.023 -3.921 1.00 32.33 O ATOM 712 CB SER A 47 5.404 -9.242 -6.733 1.00 34.50 C ATOM 713 OG SER A 47 6.361 -10.205 -7.139 1.00 23.43 O ATOM 0 H SER A 47 7.857 -8.590 -5.666 1.00 15.53 H new ATOM 0 HA SER A 47 5.002 -7.901 -5.138 1.00 41.24 H new ATOM 0 HB2 SER A 47 4.426 -9.715 -6.638 1.00 34.50 H new ATOM 0 HB3 SER A 47 5.312 -8.471 -7.498 1.00 34.50 H new ATOM 0 HG SER A 47 6.085 -10.601 -7.992 1.00 23.43 H new ATOM 719 N ALA A 48 4.792 -9.996 -3.652 1.00 53.01 N ATOM 720 CA ALA A 48 4.665 -11.084 -2.681 1.00 31.33 C ATOM 721 C ALA A 48 3.229 -11.088 -2.167 1.00 1.01 C ATOM 722 O ALA A 48 2.453 -10.168 -2.456 1.00 72.32 O ATOM 723 CB ALA A 48 5.679 -11.002 -1.526 1.00 62.13 C ATOM 0 H ALA A 48 3.899 -9.540 -3.841 1.00 53.01 H new ATOM 0 HA ALA A 48 4.897 -12.023 -3.183 1.00 31.33 H new ATOM 0 HB1 ALA A 48 5.525 -11.840 -0.846 1.00 62.13 H new ATOM 0 HB2 ALA A 48 6.692 -11.041 -1.927 1.00 62.13 H new ATOM 0 HB3 ALA A 48 5.539 -10.066 -0.985 1.00 62.13 H new ATOM 729 N TYR A 49 2.865 -12.153 -1.461 1.00 72.23 N ATOM 730 CA TYR A 49 1.507 -12.422 -1.030 1.00 22.53 C ATOM 731 C TYR A 49 1.382 -11.914 0.397 1.00 63.44 C ATOM 732 O TYR A 49 2.330 -11.967 1.173 1.00 5.13 O ATOM 733 CB TYR A 49 1.162 -13.918 -1.161 1.00 60.21 C ATOM 734 CG TYR A 49 0.966 -14.463 -2.577 1.00 40.41 C ATOM 735 CD1 TYR A 49 1.575 -13.867 -3.699 1.00 13.45 C ATOM 736 CD2 TYR A 49 0.163 -15.601 -2.780 1.00 62.15 C ATOM 737 CE1 TYR A 49 1.415 -14.389 -4.987 1.00 11.34 C ATOM 738 CE2 TYR A 49 0.013 -16.162 -4.065 1.00 2.23 C ATOM 739 CZ TYR A 49 0.664 -15.566 -5.170 1.00 2.13 C ATOM 740 OH TYR A 49 0.568 -16.108 -6.413 1.00 0.31 O ATOM 0 H TYR A 49 3.528 -12.870 -1.167 1.00 72.23 H new ATOM 0 HA TYR A 49 0.787 -11.907 -1.666 1.00 22.53 H new ATOM 0 HB2 TYR A 49 1.956 -14.492 -0.684 1.00 60.21 H new ATOM 0 HB3 TYR A 49 0.249 -14.106 -0.596 1.00 60.21 H new ATOM 0 HD1 TYR A 49 2.181 -12.984 -3.561 1.00 13.45 H new ATOM 0 HD2 TYR A 49 -0.345 -16.051 -1.940 1.00 62.15 H new ATOM 0 HE1 TYR A 49 1.864 -13.893 -5.835 1.00 11.34 H new ATOM 0 HE2 TYR A 49 -0.596 -17.043 -4.205 1.00 2.23 H new ATOM 0 HH TYR A 49 0.017 -16.918 -6.375 1.00 0.31 H new ATOM 750 N GLY A 50 0.203 -11.430 0.768 1.00 34.12 N ATOM 751 CA GLY A 50 -0.019 -10.771 2.040 1.00 13.53 C ATOM 752 C GLY A 50 0.154 -11.699 3.237 1.00 42.02 C ATOM 753 O GLY A 50 0.239 -11.187 4.357 1.00 4.10 O ATOM 0 H GLY A 50 -0.632 -11.487 0.185 1.00 34.12 H new ATOM 0 HA2 GLY A 50 0.674 -9.935 2.134 1.00 13.53 H new ATOM 0 HA3 GLY A 50 -1.026 -10.354 2.055 1.00 13.53 H new ATOM 757 N ASN A 51 0.188 -13.015 3.020 1.00 22.33 N ATOM 758 CA ASN A 51 0.602 -14.022 3.984 1.00 31.31 C ATOM 759 C ASN A 51 2.078 -13.838 4.339 1.00 71.31 C ATOM 760 O ASN A 51 2.944 -13.993 3.482 1.00 21.22 O ATOM 761 CB ASN A 51 0.322 -15.429 3.432 1.00 14.03 C ATOM 762 CG ASN A 51 1.153 -16.517 4.109 1.00 74.13 C ATOM 763 OD1 ASN A 51 1.056 -16.736 5.316 1.00 1.44 O ATOM 764 ND2 ASN A 51 1.968 -17.230 3.351 1.00 31.21 N ATOM 0 H ASN A 51 -0.086 -13.421 2.125 1.00 22.33 H new ATOM 0 HA ASN A 51 0.024 -13.903 4.900 1.00 31.31 H new ATOM 0 HB2 ASN A 51 -0.736 -15.658 3.558 1.00 14.03 H new ATOM 0 HB3 ASN A 51 0.525 -15.439 2.361 1.00 14.03 H new ATOM 0 HD21 ASN A 51 2.529 -17.975 3.765 1.00 31.21 H new ATOM 0 HD22 ASN A 51 2.036 -17.035 2.352 1.00 31.21 H new ATOM 771 N ASN A 52 2.358 -13.597 5.620 1.00 11.24 N ATOM 772 CA ASN A 52 3.698 -13.639 6.205 1.00 41.01 C ATOM 773 C ASN A 52 4.666 -12.603 5.618 1.00 52.34 C ATOM 774 O ASN A 52 4.261 -11.482 5.291 1.00 12.32 O ATOM 775 CB ASN A 52 4.234 -15.084 6.248 1.00 40.31 C ATOM 776 CG ASN A 52 5.008 -15.265 7.540 1.00 72.31 C ATOM 777 OD1 ASN A 52 6.202 -14.998 7.608 1.00 21.24 O ATOM 778 ND2 ASN A 52 4.317 -15.605 8.615 1.00 24.22 N ATOM 0 H ASN A 52 1.636 -13.360 6.300 1.00 11.24 H new ATOM 0 HA ASN A 52 3.612 -13.318 7.243 1.00 41.01 H new ATOM 0 HB2 ASN A 52 3.411 -15.796 6.195 1.00 40.31 H new ATOM 0 HB3 ASN A 52 4.877 -15.276 5.389 1.00 40.31 H new ATOM 0 HD21 ASN A 52 4.777 -15.649 9.524 1.00 24.22 H new ATOM 0 HD22 ASN A 52 3.324 -15.823 8.535 1.00 24.22 H new ATOM 785 N ASN A 53 5.967 -12.891 5.679 1.00 22.42 N ATOM 786 CA ASN A 53 7.005 -12.223 4.898 1.00 24.53 C ATOM 787 C ASN A 53 7.366 -13.060 3.680 1.00 24.51 C ATOM 788 O ASN A 53 6.965 -14.217 3.537 1.00 14.41 O ATOM 789 CB ASN A 53 8.319 -12.009 5.679 1.00 13.45 C ATOM 790 CG ASN A 53 9.172 -13.266 5.848 1.00 23.43 C ATOM 791 OD1 ASN A 53 10.219 -13.393 5.214 1.00 74.24 O ATOM 792 ND2 ASN A 53 8.760 -14.213 6.669 1.00 71.24 N ATOM 0 H ASN A 53 6.337 -13.617 6.292 1.00 22.42 H new ATOM 0 HA ASN A 53 6.583 -11.254 4.630 1.00 24.53 H new ATOM 0 HB2 ASN A 53 8.911 -11.251 5.167 1.00 13.45 H new ATOM 0 HB3 ASN A 53 8.079 -11.613 6.666 1.00 13.45 H new ATOM 0 HD21 ASN A 53 9.311 -15.063 6.784 1.00 71.24 H new ATOM 0 HD22 ASN A 53 7.890 -14.095 7.188 1.00 71.24 H new ATOM 799 N ASP A 54 8.244 -12.467 2.884 1.00 40.14 N ATOM 800 CA ASP A 54 8.977 -13.121 1.811 1.00 51.04 C ATOM 801 C ASP A 54 10.298 -12.385 1.566 1.00 31.42 C ATOM 802 O ASP A 54 10.467 -11.247 2.014 1.00 3.23 O ATOM 803 CB ASP A 54 8.135 -13.162 0.532 1.00 71.21 C ATOM 804 CG ASP A 54 8.860 -13.932 -0.569 1.00 0.11 C ATOM 805 OD1 ASP A 54 9.488 -14.972 -0.246 1.00 51.34 O ATOM 806 OD2 ASP A 54 8.814 -13.493 -1.738 1.00 42.13 O ATOM 0 H ASP A 54 8.474 -11.477 2.972 1.00 40.14 H new ATOM 0 HA ASP A 54 9.194 -14.148 2.104 1.00 51.04 H new ATOM 0 HB2 ASP A 54 7.174 -13.633 0.739 1.00 71.21 H new ATOM 0 HB3 ASP A 54 7.927 -12.146 0.195 1.00 71.21 H new ATOM 811 N ASP A 55 11.248 -13.022 0.885 1.00 3.22 N ATOM 812 CA ASP A 55 12.500 -12.449 0.409 1.00 12.02 C ATOM 813 C ASP A 55 13.020 -13.322 -0.732 1.00 55.31 C ATOM 814 O ASP A 55 13.300 -14.506 -0.534 1.00 22.42 O ATOM 815 CB ASP A 55 13.534 -12.380 1.541 1.00 35.34 C ATOM 816 CG ASP A 55 14.918 -12.012 1.010 1.00 72.43 C ATOM 817 OD1 ASP A 55 15.142 -10.805 0.752 1.00 35.43 O ATOM 818 OD2 ASP A 55 15.786 -12.906 0.899 1.00 42.21 O ATOM 0 H ASP A 55 11.157 -14.007 0.638 1.00 3.22 H new ATOM 0 HA ASP A 55 12.329 -11.431 0.058 1.00 12.02 H new ATOM 0 HB2 ASP A 55 13.218 -11.643 2.280 1.00 35.34 H new ATOM 0 HB3 ASP A 55 13.582 -13.342 2.051 1.00 35.34 H new ATOM 823 N PHE A 56 13.116 -12.753 -1.937 1.00 14.02 N ATOM 824 CA PHE A 56 13.560 -13.468 -3.136 1.00 11.41 C ATOM 825 C PHE A 56 14.299 -12.560 -4.131 1.00 60.14 C ATOM 826 O PHE A 56 14.370 -12.879 -5.320 1.00 34.40 O ATOM 827 CB PHE A 56 12.378 -14.221 -3.785 1.00 34.34 C ATOM 828 CG PHE A 56 11.476 -13.418 -4.710 1.00 51.25 C ATOM 829 CD1 PHE A 56 10.808 -12.272 -4.244 1.00 52.23 C ATOM 830 CD2 PHE A 56 11.298 -13.824 -6.049 1.00 4.02 C ATOM 831 CE1 PHE A 56 9.963 -11.547 -5.104 1.00 64.12 C ATOM 832 CE2 PHE A 56 10.438 -13.110 -6.903 1.00 24.13 C ATOM 833 CZ PHE A 56 9.767 -11.970 -6.430 1.00 14.33 C ATOM 0 H PHE A 56 12.886 -11.774 -2.109 1.00 14.02 H new ATOM 0 HA PHE A 56 14.296 -14.209 -2.824 1.00 11.41 H new ATOM 0 HB2 PHE A 56 12.780 -15.062 -4.349 1.00 34.34 H new ATOM 0 HB3 PHE A 56 11.762 -14.637 -2.988 1.00 34.34 H new ATOM 0 HD1 PHE A 56 10.944 -11.947 -3.223 1.00 52.23 H new ATOM 0 HD2 PHE A 56 11.826 -14.689 -6.421 1.00 4.02 H new ATOM 0 HE1 PHE A 56 9.462 -10.661 -4.743 1.00 64.12 H new ATOM 0 HE2 PHE A 56 10.294 -13.438 -7.922 1.00 24.13 H new ATOM 0 HZ PHE A 56 9.104 -11.421 -7.082 1.00 14.33 H new ATOM 843 N SER A 57 14.826 -11.408 -3.702 1.00 42.13 N ATOM 844 CA SER A 57 15.430 -10.409 -4.586 1.00 52.23 C ATOM 845 C SER A 57 16.813 -10.001 -4.071 1.00 3.22 C ATOM 846 O SER A 57 17.070 -10.015 -2.862 1.00 41.23 O ATOM 847 CB SER A 57 14.463 -9.223 -4.688 1.00 73.23 C ATOM 848 OG SER A 57 15.024 -8.109 -5.364 1.00 2.35 O ATOM 0 H SER A 57 14.844 -11.141 -2.718 1.00 42.13 H new ATOM 0 HA SER A 57 15.590 -10.817 -5.584 1.00 52.23 H new ATOM 0 HB2 SER A 57 13.560 -9.541 -5.209 1.00 73.23 H new ATOM 0 HB3 SER A 57 14.162 -8.919 -3.685 1.00 73.23 H new ATOM 0 HG SER A 57 14.305 -7.524 -5.684 1.00 2.35 H new ATOM 854 N SER A 58 17.678 -9.583 -4.997 1.00 43.11 N ATOM 855 CA SER A 58 19.083 -9.222 -4.826 1.00 22.12 C ATOM 856 C SER A 58 19.331 -7.748 -5.195 1.00 22.21 C ATOM 857 O SER A 58 20.442 -7.361 -5.566 1.00 45.53 O ATOM 858 CB SER A 58 19.907 -10.180 -5.696 1.00 42.42 C ATOM 859 OG SER A 58 19.449 -10.171 -7.040 1.00 22.24 O ATOM 0 H SER A 58 17.386 -9.480 -5.969 1.00 43.11 H new ATOM 0 HA SER A 58 19.381 -9.319 -3.782 1.00 22.12 H new ATOM 0 HB2 SER A 58 20.958 -9.892 -5.665 1.00 42.42 H new ATOM 0 HB3 SER A 58 19.841 -11.190 -5.293 1.00 42.42 H new ATOM 0 HG SER A 58 19.991 -10.788 -7.574 1.00 22.24 H new ATOM 865 N THR A 59 18.286 -6.928 -5.161 1.00 14.54 N ATOM 866 CA THR A 59 18.278 -5.510 -5.506 1.00 12.00 C ATOM 867 C THR A 59 19.270 -4.718 -4.640 1.00 42.02 C ATOM 868 O THR A 59 19.604 -5.120 -3.518 1.00 23.24 O ATOM 869 CB THR A 59 16.840 -4.977 -5.331 1.00 1.31 C ATOM 870 OG1 THR A 59 16.125 -5.747 -4.392 1.00 5.13 O ATOM 871 CG2 THR A 59 16.090 -4.993 -6.666 1.00 51.32 C ATOM 0 H THR A 59 17.364 -7.256 -4.874 1.00 14.54 H new ATOM 0 HA THR A 59 18.596 -5.384 -6.541 1.00 12.00 H new ATOM 0 HB THR A 59 16.914 -3.952 -4.969 1.00 1.31 H new ATOM 0 HG1 THR A 59 15.697 -6.502 -4.846 1.00 5.13 H new ATOM 0 HG21 THR A 59 15.079 -4.613 -6.520 1.00 51.32 H new ATOM 0 HG22 THR A 59 16.614 -4.363 -7.385 1.00 51.32 H new ATOM 0 HG23 THR A 59 16.043 -6.014 -7.045 1.00 51.32 H new ATOM 879 N PRO A 60 19.785 -3.590 -5.157 1.00 13.15 N ATOM 880 CA PRO A 60 20.691 -2.743 -4.408 1.00 53.44 C ATOM 881 C PRO A 60 19.883 -1.931 -3.394 1.00 4.42 C ATOM 882 O PRO A 60 18.730 -1.575 -3.638 1.00 15.50 O ATOM 883 CB PRO A 60 21.356 -1.875 -5.471 1.00 0.00 C ATOM 884 CG PRO A 60 20.229 -1.658 -6.475 1.00 13.02 C ATOM 885 CD PRO A 60 19.509 -2.998 -6.460 1.00 73.45 C ATOM 0 HA PRO A 60 21.442 -3.283 -3.831 1.00 53.44 H new ATOM 0 HB2 PRO A 60 21.718 -0.933 -5.058 1.00 0.00 H new ATOM 0 HB3 PRO A 60 22.212 -2.374 -5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 60 19.572 -0.841 -6.176 1.00 13.02 H new ATOM 0 HG3 PRO A 60 20.611 -1.414 -7.466 1.00 13.02 H new ATOM 0 HD2 PRO A 60 18.437 -2.866 -6.609 1.00 73.45 H new ATOM 0 HD3 PRO A 60 19.866 -3.641 -7.264 1.00 73.45 H new ATOM 893 N SER A 61 20.518 -1.549 -2.292 1.00 60.44 N ATOM 894 CA SER A 61 19.956 -0.796 -1.186 1.00 31.33 C ATOM 895 C SER A 61 19.955 0.700 -1.519 1.00 53.04 C ATOM 896 O SER A 61 20.014 1.564 -0.642 1.00 32.10 O ATOM 897 CB SER A 61 20.759 -1.123 0.073 1.00 72.22 C ATOM 898 OG SER A 61 20.744 -2.523 0.267 1.00 11.03 O ATOM 0 H SER A 61 21.502 -1.773 -2.141 1.00 60.44 H new ATOM 0 HA SER A 61 18.917 -1.073 -1.008 1.00 31.33 H new ATOM 0 HB2 SER A 61 21.784 -0.766 -0.029 1.00 72.22 H new ATOM 0 HB3 SER A 61 20.330 -0.617 0.938 1.00 72.22 H new ATOM 0 HG SER A 61 19.817 -2.837 0.315 1.00 11.03 H new ATOM 904 N ASN A 62 19.926 1.026 -2.813 1.00 20.21 N ATOM 905 CA ASN A 62 20.038 2.370 -3.358 1.00 21.33 C ATOM 906 C ASN A 62 18.752 3.165 -3.165 1.00 54.33 C ATOM 907 O ASN A 62 18.657 4.234 -3.761 1.00 15.23 O ATOM 908 CB ASN A 62 20.349 2.325 -4.861 1.00 25.21 C ATOM 909 CG ASN A 62 21.664 1.709 -5.266 1.00 41.22 C ATOM 910 OD1 ASN A 62 22.573 1.500 -4.464 1.00 43.52 O ATOM 911 ND2 ASN A 62 21.772 1.388 -6.538 1.00 12.40 N ATOM 0 H ASN A 62 19.818 0.320 -3.541 1.00 20.21 H new ATOM 0 HA ASN A 62 20.850 2.858 -2.818 1.00 21.33 H new ATOM 0 HB2 ASN A 62 19.549 1.775 -5.357 1.00 25.21 H new ATOM 0 HB3 ASN A 62 20.319 3.345 -5.244 1.00 25.21 H new ATOM 0 HD21 ASN A 62 22.628 0.953 -6.883 1.00 12.40 H new ATOM 0 HD22 ASN A 62 21.000 1.574 -7.178 1.00 12.40 H new ATOM 918 N PHE A 63 17.779 2.680 -2.385 1.00 15.01 N ATOM 919 CA PHE A 63 16.489 3.364 -2.181 1.00 11.11 C ATOM 920 C PHE A 63 16.687 4.861 -1.949 1.00 13.12 C ATOM 921 O PHE A 63 17.574 5.273 -1.192 1.00 44.45 O ATOM 922 CB PHE A 63 15.755 2.743 -0.980 1.00 64.32 C ATOM 923 CG PHE A 63 14.733 3.594 -0.243 1.00 51.01 C ATOM 924 CD1 PHE A 63 15.152 4.566 0.690 1.00 11.00 C ATOM 925 CD2 PHE A 63 13.358 3.366 -0.431 1.00 21.12 C ATOM 926 CE1 PHE A 63 14.205 5.348 1.370 1.00 51.31 C ATOM 927 CE2 PHE A 63 12.414 4.117 0.287 1.00 64.13 C ATOM 928 CZ PHE A 63 12.834 5.125 1.170 1.00 14.20 C ATOM 0 H PHE A 63 17.860 1.801 -1.875 1.00 15.01 H new ATOM 0 HA PHE A 63 15.890 3.237 -3.083 1.00 11.11 H new ATOM 0 HB2 PHE A 63 15.249 1.843 -1.329 1.00 64.32 H new ATOM 0 HB3 PHE A 63 16.507 2.426 -0.258 1.00 64.32 H new ATOM 0 HD1 PHE A 63 16.205 4.709 0.882 1.00 11.00 H new ATOM 0 HD2 PHE A 63 13.028 2.611 -1.129 1.00 21.12 H new ATOM 0 HE1 PHE A 63 14.532 6.122 2.048 1.00 51.31 H new ATOM 0 HE2 PHE A 63 11.360 3.919 0.160 1.00 64.13 H new ATOM 0 HZ PHE A 63 12.105 5.726 1.693 1.00 14.20 H new ATOM 938 N SER A 64 15.854 5.668 -2.601 1.00 20.30 N ATOM 939 CA SER A 64 15.813 7.103 -2.399 1.00 64.43 C ATOM 940 C SER A 64 14.360 7.550 -2.449 1.00 42.42 C ATOM 941 O SER A 64 13.813 7.951 -1.420 1.00 1.34 O ATOM 942 CB SER A 64 16.715 7.803 -3.429 1.00 34.10 C ATOM 943 OG SER A 64 17.352 8.919 -2.841 1.00 3.33 O ATOM 0 H SER A 64 15.182 5.334 -3.292 1.00 20.30 H new ATOM 0 HA SER A 64 16.208 7.382 -1.422 1.00 64.43 H new ATOM 0 HB2 SER A 64 17.463 7.104 -3.803 1.00 34.10 H new ATOM 0 HB3 SER A 64 16.121 8.123 -4.285 1.00 34.10 H new ATOM 0 HG SER A 64 17.796 9.447 -3.537 1.00 3.33 H new ATOM 949 N LYS A 65 13.712 7.428 -3.613 1.00 14.00 N ATOM 950 CA LYS A 65 12.306 7.793 -3.744 1.00 25.15 C ATOM 951 C LYS A 65 11.444 6.550 -3.610 1.00 45.42 C ATOM 952 O LYS A 65 11.888 5.418 -3.809 1.00 74.53 O ATOM 953 CB LYS A 65 12.022 8.544 -5.062 1.00 44.32 C ATOM 954 CG LYS A 65 12.019 10.065 -4.880 1.00 74.55 C ATOM 955 CD LYS A 65 11.183 10.784 -5.946 1.00 24.43 C ATOM 956 CE LYS A 65 11.850 10.778 -7.317 1.00 0.52 C ATOM 957 NZ LYS A 65 11.599 12.034 -8.051 1.00 2.14 N ATOM 0 H LYS A 65 14.140 7.081 -4.471 1.00 14.00 H new ATOM 0 HA LYS A 65 12.054 8.485 -2.941 1.00 25.15 H new ATOM 0 HB2 LYS A 65 12.775 8.271 -5.802 1.00 44.32 H new ATOM 0 HB3 LYS A 65 11.057 8.226 -5.457 1.00 44.32 H new ATOM 0 HG2 LYS A 65 11.628 10.308 -3.892 1.00 74.55 H new ATOM 0 HG3 LYS A 65 13.044 10.434 -4.917 1.00 74.55 H new ATOM 0 HD2 LYS A 65 10.206 10.306 -6.019 1.00 24.43 H new ATOM 0 HD3 LYS A 65 11.012 11.814 -5.634 1.00 24.43 H new ATOM 0 HE2 LYS A 65 12.924 10.634 -7.199 1.00 0.52 H new ATOM 0 HE3 LYS A 65 11.477 9.935 -7.899 1.00 0.52 H new ATOM 0 HZ1 LYS A 65 12.068 11.994 -8.978 1.00 2.14 H new ATOM 0 HZ2 LYS A 65 10.575 12.159 -8.186 1.00 2.14 H new ATOM 0 HZ3 LYS A 65 11.977 12.836 -7.507 1.00 2.14 H new ATOM 971 N LEU A 66 10.181 6.782 -3.304 1.00 3.55 N ATOM 972 CA LEU A 66 9.121 5.802 -3.379 1.00 53.31 C ATOM 973 C LEU A 66 8.506 5.933 -4.767 1.00 71.11 C ATOM 974 O LEU A 66 8.743 6.904 -5.491 1.00 45.01 O ATOM 975 CB LEU A 66 8.079 6.106 -2.287 1.00 43.24 C ATOM 976 CG LEU A 66 8.498 5.780 -0.840 1.00 40.21 C ATOM 977 CD1 LEU A 66 8.630 4.276 -0.610 1.00 20.54 C ATOM 978 CD2 LEU A 66 9.796 6.446 -0.361 1.00 13.13 C ATOM 0 H LEU A 66 9.856 7.695 -2.984 1.00 3.55 H new ATOM 0 HA LEU A 66 9.487 4.788 -3.221 1.00 53.31 H new ATOM 0 HB2 LEU A 66 7.825 7.165 -2.340 1.00 43.24 H new ATOM 0 HB3 LEU A 66 7.171 5.548 -2.515 1.00 43.24 H new ATOM 0 HG LEU A 66 7.682 6.200 -0.251 1.00 40.21 H new ATOM 0 HD11 LEU A 66 8.927 4.090 0.422 1.00 20.54 H new ATOM 0 HD12 LEU A 66 7.673 3.793 -0.805 1.00 20.54 H new ATOM 0 HD13 LEU A 66 9.385 3.870 -1.283 1.00 20.54 H new ATOM 0 HD21 LEU A 66 9.998 6.150 0.668 1.00 13.13 H new ATOM 0 HD22 LEU A 66 10.623 6.132 -0.998 1.00 13.13 H new ATOM 0 HD23 LEU A 66 9.690 7.530 -0.413 1.00 13.13 H new ATOM 990 N LYS A 67 7.676 4.962 -5.128 1.00 45.23 N ATOM 991 CA LYS A 67 6.735 5.120 -6.218 1.00 60.44 C ATOM 992 C LYS A 67 5.404 4.505 -5.802 1.00 65.54 C ATOM 993 O LYS A 67 5.193 4.176 -4.632 1.00 3.40 O ATOM 994 CB LYS A 67 7.299 4.545 -7.531 1.00 71.33 C ATOM 995 CG LYS A 67 6.859 5.425 -8.716 1.00 22.45 C ATOM 996 CD LYS A 67 6.881 4.691 -10.055 1.00 22.23 C ATOM 997 CE LYS A 67 8.279 4.386 -10.530 1.00 72.34 C ATOM 998 NZ LYS A 67 8.328 4.183 -11.989 1.00 23.53 N ATOM 0 H LYS A 67 7.640 4.050 -4.673 1.00 45.23 H new ATOM 0 HA LYS A 67 6.565 6.177 -6.424 1.00 60.44 H new ATOM 0 HB2 LYS A 67 8.387 4.502 -7.482 1.00 71.33 H new ATOM 0 HB3 LYS A 67 6.945 3.524 -7.673 1.00 71.33 H new ATOM 0 HG2 LYS A 67 5.851 5.796 -8.529 1.00 22.45 H new ATOM 0 HG3 LYS A 67 7.513 6.295 -8.776 1.00 22.45 H new ATOM 0 HD2 LYS A 67 6.322 3.760 -9.963 1.00 22.23 H new ATOM 0 HD3 LYS A 67 6.371 5.296 -10.805 1.00 22.23 H new ATOM 0 HE2 LYS A 67 8.944 5.205 -10.254 1.00 72.34 H new ATOM 0 HE3 LYS A 67 8.648 3.493 -10.026 1.00 72.34 H new ATOM 0 HZ1 LYS A 67 9.250 3.780 -12.253 1.00 23.53 H new ATOM 0 HZ2 LYS A 67 7.570 3.530 -12.274 1.00 23.53 H new ATOM 0 HZ3 LYS A 67 8.199 5.095 -12.471 1.00 23.53 H new ATOM 1012 N GLU A 68 4.505 4.403 -6.767 1.00 2.01 N ATOM 1013 CA GLU A 68 3.174 3.852 -6.661 1.00 75.21 C ATOM 1014 C GLU A 68 3.162 2.396 -6.174 1.00 31.53 C ATOM 1015 O GLU A 68 4.205 1.743 -6.060 1.00 12.21 O ATOM 1016 CB GLU A 68 2.527 4.049 -8.038 1.00 13.32 C ATOM 1017 CG GLU A 68 3.040 3.113 -9.136 1.00 61.24 C ATOM 1018 CD GLU A 68 2.918 3.726 -10.532 1.00 21.14 C ATOM 1019 OE1 GLU A 68 3.686 4.660 -10.860 1.00 2.00 O ATOM 1020 OE2 GLU A 68 2.099 3.238 -11.344 1.00 21.30 O ATOM 0 H GLU A 68 4.706 4.729 -7.712 1.00 2.01 H new ATOM 0 HA GLU A 68 2.596 4.367 -5.893 1.00 75.21 H new ATOM 0 HB2 GLU A 68 1.450 3.912 -7.939 1.00 13.32 H new ATOM 0 HB3 GLU A 68 2.690 5.079 -8.355 1.00 13.32 H new ATOM 0 HG2 GLU A 68 4.084 2.867 -8.941 1.00 61.24 H new ATOM 0 HG3 GLU A 68 2.480 2.178 -9.103 1.00 61.24 H new ATOM 1027 N ILE A 69 1.965 1.897 -5.864 1.00 2.22 N ATOM 1028 CA ILE A 69 1.721 0.541 -5.408 1.00 40.21 C ATOM 1029 C ILE A 69 0.508 0.047 -6.206 1.00 12.40 C ATOM 1030 O ILE A 69 -0.391 0.830 -6.526 1.00 40.32 O ATOM 1031 CB ILE A 69 1.476 0.508 -3.877 1.00 75.34 C ATOM 1032 CG1 ILE A 69 2.480 1.359 -3.058 1.00 12.33 C ATOM 1033 CG2 ILE A 69 1.498 -0.944 -3.365 1.00 45.11 C ATOM 1034 CD1 ILE A 69 2.013 1.585 -1.618 1.00 73.13 C ATOM 0 H ILE A 69 1.112 2.452 -5.928 1.00 2.22 H new ATOM 0 HA ILE A 69 2.580 -0.109 -5.576 1.00 40.21 H new ATOM 0 HB ILE A 69 0.493 0.955 -3.726 1.00 75.34 H new ATOM 0 HG12 ILE A 69 3.450 0.863 -3.049 1.00 12.33 H new ATOM 0 HG13 ILE A 69 2.620 2.323 -3.548 1.00 12.33 H new ATOM 0 HG21 ILE A 69 1.325 -0.953 -2.289 1.00 45.11 H new ATOM 0 HG22 ILE A 69 0.716 -1.517 -3.863 1.00 45.11 H new ATOM 0 HG23 ILE A 69 2.469 -1.391 -3.580 1.00 45.11 H new ATOM 0 HD11 ILE A 69 2.751 2.186 -1.086 1.00 73.13 H new ATOM 0 HD12 ILE A 69 1.056 2.106 -1.624 1.00 73.13 H new ATOM 0 HD13 ILE A 69 1.900 0.624 -1.117 1.00 73.13 H new ATOM 1046 N ASP A 70 0.467 -1.250 -6.489 1.00 4.34 N ATOM 1047 CA ASP A 70 -0.596 -1.938 -7.202 1.00 3.05 C ATOM 1048 C ASP A 70 -1.001 -3.104 -6.304 1.00 22.12 C ATOM 1049 O ASP A 70 -0.144 -3.890 -5.887 1.00 22.42 O ATOM 1050 CB ASP A 70 -0.094 -2.401 -8.577 1.00 43.13 C ATOM 1051 CG ASP A 70 -0.041 -1.257 -9.587 1.00 74.14 C ATOM 1052 OD1 ASP A 70 -1.119 -0.866 -10.088 1.00 13.44 O ATOM 1053 OD2 ASP A 70 1.074 -0.757 -9.887 1.00 64.12 O ATOM 0 H ASP A 70 1.217 -1.882 -6.210 1.00 4.34 H new ATOM 0 HA ASP A 70 -1.455 -1.297 -7.401 1.00 3.05 H new ATOM 0 HB2 ASP A 70 0.900 -2.836 -8.471 1.00 43.13 H new ATOM 0 HB3 ASP A 70 -0.748 -3.187 -8.955 1.00 43.13 H new ATOM 1058 N LEU A 71 -2.276 -3.171 -5.919 1.00 63.22 N ATOM 1059 CA LEU A 71 -2.796 -4.145 -4.958 1.00 32.32 C ATOM 1060 C LEU A 71 -3.632 -5.178 -5.708 1.00 34.21 C ATOM 1061 O LEU A 71 -4.276 -4.872 -6.715 1.00 1.40 O ATOM 1062 CB LEU A 71 -3.656 -3.421 -3.899 1.00 62.53 C ATOM 1063 CG LEU A 71 -2.948 -3.037 -2.587 1.00 12.22 C ATOM 1064 CD1 LEU A 71 -1.650 -2.270 -2.828 1.00 1.32 C ATOM 1065 CD2 LEU A 71 -3.900 -2.175 -1.745 1.00 12.02 C ATOM 0 H LEU A 71 -2.991 -2.536 -6.274 1.00 63.22 H new ATOM 0 HA LEU A 71 -1.973 -4.647 -4.450 1.00 32.32 H new ATOM 0 HB2 LEU A 71 -4.058 -2.513 -4.348 1.00 62.53 H new ATOM 0 HB3 LEU A 71 -4.505 -4.059 -3.655 1.00 62.53 H new ATOM 0 HG LEU A 71 -2.688 -3.958 -2.065 1.00 12.22 H new ATOM 0 HD11 LEU A 71 -1.190 -2.023 -1.871 1.00 1.32 H new ATOM 0 HD12 LEU A 71 -0.966 -2.887 -3.411 1.00 1.32 H new ATOM 0 HD13 LEU A 71 -1.866 -1.352 -3.374 1.00 1.32 H new ATOM 0 HD21 LEU A 71 -3.410 -1.896 -0.812 1.00 12.02 H new ATOM 0 HD22 LEU A 71 -4.162 -1.274 -2.300 1.00 12.02 H new ATOM 0 HD23 LEU A 71 -4.805 -2.742 -1.524 1.00 12.02 H new ATOM 1077 N LYS A 72 -3.685 -6.397 -5.175 1.00 74.22 N ATOM 1078 CA LYS A 72 -4.479 -7.497 -5.716 1.00 45.44 C ATOM 1079 C LYS A 72 -5.264 -8.176 -4.604 1.00 35.42 C ATOM 1080 O LYS A 72 -5.002 -7.927 -3.423 1.00 23.30 O ATOM 1081 CB LYS A 72 -3.536 -8.469 -6.444 1.00 13.50 C ATOM 1082 CG LYS A 72 -3.813 -8.439 -7.944 1.00 14.30 C ATOM 1083 CD LYS A 72 -2.978 -9.503 -8.654 1.00 53.03 C ATOM 1084 CE LYS A 72 -3.076 -9.350 -10.171 1.00 22.40 C ATOM 1085 NZ LYS A 72 -4.441 -9.567 -10.695 1.00 61.24 N ATOM 0 H LYS A 72 -3.165 -6.653 -4.336 1.00 74.22 H new ATOM 0 HA LYS A 72 -5.211 -7.125 -6.433 1.00 45.44 H new ATOM 0 HB2 LYS A 72 -2.499 -8.195 -6.252 1.00 13.50 H new ATOM 0 HB3 LYS A 72 -3.675 -9.480 -6.060 1.00 13.50 H new ATOM 0 HG2 LYS A 72 -4.873 -8.614 -8.129 1.00 14.30 H new ATOM 0 HG3 LYS A 72 -3.578 -7.453 -8.345 1.00 14.30 H new ATOM 0 HD2 LYS A 72 -1.937 -9.421 -8.343 1.00 53.03 H new ATOM 0 HD3 LYS A 72 -3.321 -10.495 -8.362 1.00 53.03 H new ATOM 0 HE2 LYS A 72 -2.742 -8.351 -10.450 1.00 22.40 H new ATOM 0 HE3 LYS A 72 -2.396 -10.058 -10.645 1.00 22.40 H new ATOM 0 HZ1 LYS A 72 -4.436 -9.466 -11.730 1.00 61.24 H new ATOM 0 HZ2 LYS A 72 -4.762 -10.523 -10.442 1.00 61.24 H new ATOM 0 HZ3 LYS A 72 -5.087 -8.865 -10.282 1.00 61.24 H new ATOM 1099 N LYS A 73 -6.258 -8.995 -4.946 1.00 65.41 N ATOM 1100 CA LYS A 73 -6.962 -9.825 -3.980 1.00 61.34 C ATOM 1101 C LYS A 73 -7.670 -10.956 -4.688 1.00 75.34 C ATOM 1102 O LYS A 73 -7.802 -10.955 -5.914 1.00 52.24 O ATOM 1103 CB LYS A 73 -7.932 -8.993 -3.125 1.00 0.01 C ATOM 1104 CG LYS A 73 -8.958 -8.192 -3.945 1.00 53.03 C ATOM 1105 CD LYS A 73 -9.269 -6.838 -3.309 1.00 2.10 C ATOM 1106 CE LYS A 73 -8.037 -5.921 -3.281 1.00 71.33 C ATOM 1107 NZ LYS A 73 -8.415 -4.543 -2.933 1.00 60.44 N ATOM 0 H LYS A 73 -6.595 -9.099 -5.903 1.00 65.41 H new ATOM 0 HA LYS A 73 -6.231 -10.256 -3.296 1.00 61.34 H new ATOM 0 HB2 LYS A 73 -8.465 -9.659 -2.446 1.00 0.01 H new ATOM 0 HB3 LYS A 73 -7.356 -8.303 -2.508 1.00 0.01 H new ATOM 0 HG2 LYS A 73 -8.575 -8.039 -4.954 1.00 53.03 H new ATOM 0 HG3 LYS A 73 -9.878 -8.769 -4.037 1.00 53.03 H new ATOM 0 HD2 LYS A 73 -10.071 -6.352 -3.865 1.00 2.10 H new ATOM 0 HD3 LYS A 73 -9.632 -6.989 -2.292 1.00 2.10 H new ATOM 0 HE2 LYS A 73 -7.315 -6.298 -2.557 1.00 71.33 H new ATOM 0 HE3 LYS A 73 -7.548 -5.933 -4.255 1.00 71.33 H new ATOM 0 HZ1 LYS A 73 -7.558 -3.987 -2.738 1.00 60.44 H new ATOM 0 HZ2 LYS A 73 -8.933 -4.114 -3.726 1.00 60.44 H new ATOM 0 HZ3 LYS A 73 -9.021 -4.552 -2.088 1.00 60.44 H new ATOM 1121 N ASP A 74 -8.217 -11.851 -3.889 1.00 60.23 N ATOM 1122 CA ASP A 74 -9.184 -12.857 -4.269 1.00 45.01 C ATOM 1123 C ASP A 74 -10.434 -12.651 -3.429 1.00 54.05 C ATOM 1124 O ASP A 74 -10.514 -11.712 -2.631 1.00 53.21 O ATOM 1125 CB ASP A 74 -8.563 -14.232 -4.033 1.00 31.14 C ATOM 1126 CG ASP A 74 -9.155 -15.353 -4.867 1.00 45.05 C ATOM 1127 OD1 ASP A 74 -10.154 -15.139 -5.584 1.00 51.43 O ATOM 1128 OD2 ASP A 74 -8.608 -16.477 -4.765 1.00 14.40 O ATOM 0 H ASP A 74 -7.983 -11.896 -2.897 1.00 60.23 H new ATOM 0 HA ASP A 74 -9.458 -12.782 -5.321 1.00 45.01 H new ATOM 0 HB2 ASP A 74 -7.494 -14.172 -4.238 1.00 31.14 H new ATOM 0 HB3 ASP A 74 -8.671 -14.487 -2.979 1.00 31.14 H new ATOM 1133 N ASN A 75 -11.415 -13.531 -3.579 1.00 25.15 N ATOM 1134 CA ASN A 75 -12.559 -13.571 -2.691 1.00 72.24 C ATOM 1135 C ASN A 75 -12.131 -14.227 -1.390 1.00 31.30 C ATOM 1136 O ASN A 75 -11.544 -15.314 -1.383 1.00 74.11 O ATOM 1137 CB ASN A 75 -13.754 -14.291 -3.308 1.00 4.35 C ATOM 1138 CG ASN A 75 -14.339 -13.577 -4.509 1.00 60.42 C ATOM 1139 OD1 ASN A 75 -14.604 -14.174 -5.551 1.00 63.41 O ATOM 1140 ND2 ASN A 75 -14.626 -12.295 -4.395 1.00 40.22 N ATOM 0 H ASN A 75 -11.436 -14.233 -4.319 1.00 25.15 H new ATOM 0 HA ASN A 75 -12.894 -12.551 -2.504 1.00 72.24 H new ATOM 0 HB2 ASN A 75 -13.449 -15.294 -3.605 1.00 4.35 H new ATOM 0 HB3 ASN A 75 -14.529 -14.405 -2.551 1.00 4.35 H new ATOM 0 HD21 ASN A 75 -15.067 -11.800 -5.170 1.00 40.22 H new ATOM 0 HD22 ASN A 75 -14.407 -11.798 -3.532 1.00 40.22 H new ATOM 1147 N VAL A 76 -12.427 -13.534 -0.300 1.00 25.53 N ATOM 1148 CA VAL A 76 -12.077 -13.886 1.069 1.00 12.04 C ATOM 1149 C VAL A 76 -13.324 -14.444 1.789 1.00 60.14 C ATOM 1150 O VAL A 76 -14.449 -14.193 1.336 1.00 14.43 O ATOM 1151 CB VAL A 76 -11.470 -12.638 1.752 1.00 21.10 C ATOM 1152 CG1 VAL A 76 -10.402 -11.942 0.886 1.00 45.12 C ATOM 1153 CG2 VAL A 76 -12.539 -11.613 2.124 1.00 2.43 C ATOM 0 H VAL A 76 -12.949 -12.659 -0.350 1.00 25.53 H new ATOM 0 HA VAL A 76 -11.325 -14.674 1.106 1.00 12.04 H new ATOM 0 HB VAL A 76 -10.994 -13.015 2.657 1.00 21.10 H new ATOM 0 HG11 VAL A 76 -10.012 -11.074 1.417 1.00 45.12 H new ATOM 0 HG12 VAL A 76 -9.588 -12.638 0.683 1.00 45.12 H new ATOM 0 HG13 VAL A 76 -10.849 -11.621 -0.055 1.00 45.12 H new ATOM 0 HG21 VAL A 76 -12.068 -10.753 2.601 1.00 2.43 H new ATOM 0 HG22 VAL A 76 -13.061 -11.288 1.224 1.00 2.43 H new ATOM 0 HG23 VAL A 76 -13.252 -12.065 2.813 1.00 2.43 H new ATOM 1163 N PRO A 77 -13.165 -15.181 2.899 1.00 64.23 N ATOM 1164 CA PRO A 77 -14.277 -15.763 3.639 1.00 62.44 C ATOM 1165 C PRO A 77 -14.992 -14.705 4.484 1.00 62.14 C ATOM 1166 O PRO A 77 -14.609 -13.533 4.505 1.00 41.43 O ATOM 1167 CB PRO A 77 -13.638 -16.855 4.497 1.00 72.42 C ATOM 1168 CG PRO A 77 -12.287 -16.238 4.830 1.00 25.24 C ATOM 1169 CD PRO A 77 -11.907 -15.575 3.514 1.00 13.34 C ATOM 0 HA PRO A 77 -15.049 -16.169 2.985 1.00 62.44 H new ATOM 0 HB2 PRO A 77 -14.223 -17.066 5.392 1.00 72.42 H new ATOM 0 HB3 PRO A 77 -13.536 -17.794 3.954 1.00 72.42 H new ATOM 0 HG2 PRO A 77 -12.358 -15.517 5.644 1.00 25.24 H new ATOM 0 HG3 PRO A 77 -11.559 -16.990 5.133 1.00 25.24 H new ATOM 0 HD2 PRO A 77 -11.264 -14.711 3.681 1.00 13.34 H new ATOM 0 HD3 PRO A 77 -11.355 -16.263 2.873 1.00 13.34 H new ATOM 1177 N SER A 78 -16.038 -15.123 5.196 1.00 74.54 N ATOM 1178 CA SER A 78 -16.995 -14.267 5.887 1.00 31.24 C ATOM 1179 C SER A 78 -16.386 -13.288 6.885 1.00 71.43 C ATOM 1180 O SER A 78 -17.027 -12.282 7.185 1.00 74.41 O ATOM 1181 CB SER A 78 -17.979 -15.150 6.641 1.00 21.50 C ATOM 1182 OG SER A 78 -18.553 -16.111 5.778 1.00 1.04 O ATOM 0 H SER A 78 -16.249 -16.114 5.311 1.00 74.54 H new ATOM 0 HA SER A 78 -17.465 -13.664 5.110 1.00 31.24 H new ATOM 0 HB2 SER A 78 -17.469 -15.652 7.463 1.00 21.50 H new ATOM 0 HB3 SER A 78 -18.764 -14.535 7.081 1.00 21.50 H new ATOM 0 HG SER A 78 -19.181 -16.670 6.282 1.00 1.04 H new ATOM 1188 N ASP A 79 -15.172 -13.551 7.372 1.00 72.24 N ATOM 1189 CA ASP A 79 -14.421 -12.675 8.268 1.00 20.55 C ATOM 1190 C ASP A 79 -14.366 -11.280 7.677 1.00 40.21 C ATOM 1191 O ASP A 79 -14.669 -10.302 8.358 1.00 42.53 O ATOM 1192 CB ASP A 79 -12.984 -13.184 8.492 1.00 42.12 C ATOM 1193 CG ASP A 79 -12.890 -14.368 9.450 1.00 24.43 C ATOM 1194 OD1 ASP A 79 -13.940 -14.915 9.855 1.00 23.11 O ATOM 1195 OD2 ASP A 79 -11.767 -14.838 9.742 1.00 0.50 O ATOM 0 H ASP A 79 -14.669 -14.409 7.145 1.00 72.24 H new ATOM 0 HA ASP A 79 -14.932 -12.664 9.231 1.00 20.55 H new ATOM 0 HB2 ASP A 79 -12.557 -13.472 7.531 1.00 42.12 H new ATOM 0 HB3 ASP A 79 -12.376 -12.367 8.879 1.00 42.12 H new ATOM 1200 N ASP A 80 -14.056 -11.186 6.386 1.00 71.23 N ATOM 1201 CA ASP A 80 -13.643 -9.931 5.757 1.00 22.12 C ATOM 1202 C ASP A 80 -14.346 -9.709 4.413 1.00 40.33 C ATOM 1203 O ASP A 80 -14.019 -8.795 3.647 1.00 74.21 O ATOM 1204 CB ASP A 80 -12.118 -9.947 5.639 1.00 23.31 C ATOM 1205 CG ASP A 80 -11.430 -8.600 5.702 1.00 33.30 C ATOM 1206 OD1 ASP A 80 -11.987 -7.635 6.253 1.00 43.15 O ATOM 1207 OD2 ASP A 80 -10.283 -8.526 5.205 1.00 4.35 O ATOM 0 H ASP A 80 -14.084 -11.978 5.744 1.00 71.23 H new ATOM 0 HA ASP A 80 -13.943 -9.083 6.372 1.00 22.12 H new ATOM 0 HB2 ASP A 80 -11.719 -10.573 6.437 1.00 23.31 H new ATOM 0 HB3 ASP A 80 -11.852 -10.424 4.696 1.00 23.31 H new ATOM 1212 N PHE A 81 -15.314 -10.578 4.103 1.00 72.32 N ATOM 1213 CA PHE A 81 -16.043 -10.613 2.848 1.00 34.20 C ATOM 1214 C PHE A 81 -16.822 -9.321 2.598 1.00 45.41 C ATOM 1215 O PHE A 81 -17.042 -8.951 1.440 1.00 42.14 O ATOM 1216 CB PHE A 81 -16.989 -11.824 2.844 1.00 20.24 C ATOM 1217 CG PHE A 81 -17.773 -11.991 1.560 1.00 5.55 C ATOM 1218 CD1 PHE A 81 -17.105 -11.899 0.325 1.00 74.22 C ATOM 1219 CD2 PHE A 81 -19.157 -12.250 1.591 1.00 2.30 C ATOM 1220 CE1 PHE A 81 -17.821 -12.014 -0.873 1.00 20.11 C ATOM 1221 CE2 PHE A 81 -19.870 -12.379 0.385 1.00 34.30 C ATOM 1222 CZ PHE A 81 -19.205 -12.258 -0.848 1.00 41.33 C ATOM 0 H PHE A 81 -15.617 -11.303 4.753 1.00 72.32 H new ATOM 0 HA PHE A 81 -15.320 -10.707 2.038 1.00 34.20 H new ATOM 0 HB2 PHE A 81 -16.406 -12.728 3.021 1.00 20.24 H new ATOM 0 HB3 PHE A 81 -17.688 -11.728 3.674 1.00 20.24 H new ATOM 0 HD1 PHE A 81 -16.037 -11.739 0.301 1.00 74.22 H new ATOM 0 HD2 PHE A 81 -19.669 -12.349 2.537 1.00 2.30 H new ATOM 0 HE1 PHE A 81 -17.308 -11.915 -1.818 1.00 20.11 H new ATOM 0 HE2 PHE A 81 -20.932 -12.572 0.406 1.00 34.30 H new ATOM 0 HZ PHE A 81 -19.756 -12.352 -1.772 1.00 41.33 H new ATOM 1232 N ASN A 82 -17.284 -8.642 3.650 1.00 1.54 N ATOM 1233 CA ASN A 82 -18.164 -7.491 3.583 1.00 41.42 C ATOM 1234 C ASN A 82 -17.506 -6.215 4.119 1.00 71.21 C ATOM 1235 O ASN A 82 -18.168 -5.179 4.214 1.00 64.32 O ATOM 1236 CB ASN A 82 -19.470 -7.838 4.308 1.00 74.34 C ATOM 1237 CG ASN A 82 -19.346 -8.166 5.790 1.00 52.02 C ATOM 1238 OD1 ASN A 82 -19.030 -7.313 6.617 1.00 24.43 O ATOM 1239 ND2 ASN A 82 -19.615 -9.411 6.149 1.00 53.41 N ATOM 0 H ASN A 82 -17.041 -8.896 4.608 1.00 1.54 H new ATOM 0 HA ASN A 82 -18.386 -7.266 2.540 1.00 41.42 H new ATOM 0 HB2 ASN A 82 -20.157 -6.999 4.199 1.00 74.34 H new ATOM 0 HB3 ASN A 82 -19.926 -8.691 3.805 1.00 74.34 H new ATOM 0 HD21 ASN A 82 -19.562 -9.681 7.131 1.00 53.41 H new ATOM 0 HD22 ASN A 82 -19.875 -10.100 5.444 1.00 53.41 H new ATOM 1246 N THR A 83 -16.221 -6.267 4.465 1.00 4.34 N ATOM 1247 CA THR A 83 -15.499 -5.173 5.092 1.00 44.34 C ATOM 1248 C THR A 83 -15.417 -3.919 4.200 1.00 2.20 C ATOM 1249 O THR A 83 -15.121 -3.986 3.001 1.00 63.25 O ATOM 1250 CB THR A 83 -14.142 -5.715 5.576 1.00 60.51 C ATOM 1251 OG1 THR A 83 -14.396 -6.749 6.498 1.00 24.30 O ATOM 1252 CG2 THR A 83 -13.365 -4.644 6.325 1.00 42.24 C ATOM 0 H THR A 83 -15.643 -7.093 4.311 1.00 4.34 H new ATOM 0 HA THR A 83 -16.046 -4.809 5.962 1.00 44.34 H new ATOM 0 HB THR A 83 -13.570 -6.050 4.711 1.00 60.51 H new ATOM 0 HG1 THR A 83 -13.550 -7.055 6.888 1.00 24.30 H new ATOM 0 HG21 THR A 83 -12.410 -5.052 6.656 1.00 42.24 H new ATOM 0 HG22 THR A 83 -13.187 -3.795 5.665 1.00 42.24 H new ATOM 0 HG23 THR A 83 -13.940 -4.316 7.191 1.00 42.24 H new ATOM 1260 N THR A 84 -15.681 -2.756 4.805 1.00 53.42 N ATOM 1261 CA THR A 84 -15.581 -1.429 4.211 1.00 45.42 C ATOM 1262 C THR A 84 -14.931 -0.475 5.225 1.00 21.53 C ATOM 1263 O THR A 84 -14.834 -0.808 6.406 1.00 65.21 O ATOM 1264 CB THR A 84 -16.966 -0.943 3.727 1.00 1.00 C ATOM 1265 OG1 THR A 84 -17.913 -0.814 4.761 1.00 14.52 O ATOM 1266 CG2 THR A 84 -17.608 -1.891 2.710 1.00 45.21 C ATOM 0 H THR A 84 -15.987 -2.719 5.777 1.00 53.42 H new ATOM 0 HA THR A 84 -14.945 -1.458 3.326 1.00 45.42 H new ATOM 0 HB THR A 84 -16.740 0.028 3.285 1.00 1.00 H new ATOM 0 HG1 THR A 84 -18.764 -0.502 4.388 1.00 14.52 H new ATOM 0 HG21 THR A 84 -18.578 -1.497 2.407 1.00 45.21 H new ATOM 0 HG22 THR A 84 -16.963 -1.978 1.836 1.00 45.21 H new ATOM 0 HG23 THR A 84 -17.741 -2.874 3.162 1.00 45.21 H new ATOM 1274 N VAL A 85 -14.487 0.698 4.775 1.00 62.51 N ATOM 1275 CA VAL A 85 -13.848 1.731 5.584 1.00 11.12 C ATOM 1276 C VAL A 85 -14.297 3.118 5.123 1.00 13.23 C ATOM 1277 O VAL A 85 -14.709 3.296 3.975 1.00 2.23 O ATOM 1278 CB VAL A 85 -12.316 1.632 5.443 1.00 60.34 C ATOM 1279 CG1 VAL A 85 -11.716 0.435 6.172 1.00 0.32 C ATOM 1280 CG2 VAL A 85 -11.851 1.699 3.969 1.00 21.24 C ATOM 0 H VAL A 85 -14.567 0.964 3.794 1.00 62.51 H new ATOM 0 HA VAL A 85 -14.136 1.583 6.625 1.00 11.12 H new ATOM 0 HB VAL A 85 -11.924 2.518 5.944 1.00 60.34 H new ATOM 0 HG11 VAL A 85 -10.635 0.427 6.031 1.00 0.32 H new ATOM 0 HG12 VAL A 85 -11.942 0.506 7.236 1.00 0.32 H new ATOM 0 HG13 VAL A 85 -12.141 -0.485 5.771 1.00 0.32 H new ATOM 0 HG21 VAL A 85 -10.764 1.625 3.927 1.00 21.24 H new ATOM 0 HG22 VAL A 85 -12.293 0.874 3.410 1.00 21.24 H new ATOM 0 HG23 VAL A 85 -12.168 2.645 3.530 1.00 21.24 H new ATOM 1290 N SER A 86 -14.126 4.133 5.966 1.00 52.32 N ATOM 1291 CA SER A 86 -14.030 5.508 5.528 1.00 74.43 C ATOM 1292 C SER A 86 -12.757 5.650 4.688 1.00 0.02 C ATOM 1293 O SER A 86 -11.697 5.130 5.054 1.00 73.53 O ATOM 1294 CB SER A 86 -13.990 6.396 6.767 1.00 20.20 C ATOM 1295 OG SER A 86 -15.148 6.191 7.553 1.00 63.24 O ATOM 0 H SER A 86 -14.051 4.016 6.976 1.00 52.32 H new ATOM 0 HA SER A 86 -14.882 5.805 4.917 1.00 74.43 H new ATOM 0 HB2 SER A 86 -13.099 6.173 7.354 1.00 20.20 H new ATOM 0 HB3 SER A 86 -13.923 7.443 6.471 1.00 20.20 H new ATOM 0 HG SER A 86 -15.111 6.765 8.346 1.00 63.24 H new ATOM 1301 N GLY A 87 -12.844 6.366 3.570 1.00 25.13 N ATOM 1302 CA GLY A 87 -11.712 6.670 2.709 1.00 63.24 C ATOM 1303 C GLY A 87 -10.674 7.521 3.433 1.00 13.32 C ATOM 1304 O GLY A 87 -9.486 7.403 3.151 1.00 21.13 O ATOM 0 H GLY A 87 -13.723 6.758 3.233 1.00 25.13 H new ATOM 0 HA2 GLY A 87 -11.251 5.742 2.370 1.00 63.24 H new ATOM 0 HA3 GLY A 87 -12.060 7.196 1.820 1.00 63.24 H new ATOM 1308 N GLU A 88 -11.129 8.367 4.360 1.00 0.50 N ATOM 1309 CA GLU A 88 -10.290 9.166 5.240 1.00 24.23 C ATOM 1310 C GLU A 88 -9.446 8.232 6.105 1.00 33.31 C ATOM 1311 O GLU A 88 -8.222 8.263 6.059 1.00 60.42 O ATOM 1312 CB GLU A 88 -11.203 10.079 6.078 1.00 40.12 C ATOM 1313 CG GLU A 88 -10.474 11.273 6.721 1.00 0.21 C ATOM 1314 CD GLU A 88 -11.242 11.986 7.841 1.00 24.50 C ATOM 1315 OE1 GLU A 88 -12.462 11.760 8.006 1.00 14.32 O ATOM 1316 OE2 GLU A 88 -10.640 12.841 8.525 1.00 42.31 O ATOM 0 H GLU A 88 -12.125 8.516 4.520 1.00 0.50 H new ATOM 0 HA GLU A 88 -9.603 9.798 4.677 1.00 24.23 H new ATOM 0 HB2 GLU A 88 -12.005 10.455 5.443 1.00 40.12 H new ATOM 0 HB3 GLU A 88 -11.670 9.486 6.864 1.00 40.12 H new ATOM 0 HG2 GLU A 88 -9.522 10.923 7.121 1.00 0.21 H new ATOM 0 HG3 GLU A 88 -10.244 11.999 5.942 1.00 0.21 H new ATOM 1323 N ASP A 89 -10.116 7.357 6.852 1.00 0.04 N ATOM 1324 CA ASP A 89 -9.503 6.478 7.842 1.00 64.23 C ATOM 1325 C ASP A 89 -8.497 5.525 7.198 1.00 64.11 C ATOM 1326 O ASP A 89 -7.404 5.304 7.713 1.00 14.24 O ATOM 1327 CB ASP A 89 -10.617 5.697 8.543 1.00 5.10 C ATOM 1328 CG ASP A 89 -10.132 5.058 9.838 1.00 44.25 C ATOM 1329 OD1 ASP A 89 -9.839 5.811 10.791 1.00 24.30 O ATOM 1330 OD2 ASP A 89 -10.160 3.814 9.955 1.00 2.11 O ATOM 0 H ASP A 89 -11.127 7.238 6.783 1.00 0.04 H new ATOM 0 HA ASP A 89 -8.951 7.077 8.566 1.00 64.23 H new ATOM 0 HB2 ASP A 89 -11.450 6.366 8.758 1.00 5.10 H new ATOM 0 HB3 ASP A 89 -10.994 4.923 7.875 1.00 5.10 H new ATOM 1335 N SER A 90 -8.840 5.012 6.016 1.00 2.11 N ATOM 1336 CA SER A 90 -7.976 4.092 5.266 1.00 71.23 C ATOM 1337 C SER A 90 -6.736 4.789 4.673 1.00 32.20 C ATOM 1338 O SER A 90 -5.777 4.116 4.285 1.00 73.23 O ATOM 1339 CB SER A 90 -8.791 3.349 4.209 1.00 11.54 C ATOM 1340 OG SER A 90 -9.691 4.186 3.511 1.00 23.14 O ATOM 0 H SER A 90 -9.723 5.221 5.550 1.00 2.11 H new ATOM 0 HA SER A 90 -7.582 3.357 5.968 1.00 71.23 H new ATOM 0 HB2 SER A 90 -8.111 2.883 3.496 1.00 11.54 H new ATOM 0 HB3 SER A 90 -9.350 2.545 4.689 1.00 11.54 H new ATOM 0 HG SER A 90 -10.467 4.377 4.078 1.00 23.14 H new ATOM 1346 N TRP A 91 -6.730 6.125 4.604 1.00 21.23 N ATOM 1347 CA TRP A 91 -5.551 6.924 4.290 1.00 0.02 C ATOM 1348 C TRP A 91 -4.779 7.225 5.584 1.00 54.02 C ATOM 1349 O TRP A 91 -3.556 7.060 5.636 1.00 20.15 O ATOM 1350 CB TRP A 91 -5.991 8.196 3.534 1.00 74.15 C ATOM 1351 CG TRP A 91 -4.898 9.157 3.181 1.00 51.41 C ATOM 1352 CD1 TRP A 91 -4.199 9.201 2.022 1.00 0.24 C ATOM 1353 CD2 TRP A 91 -4.350 10.223 4.012 1.00 31.33 C ATOM 1354 NE1 TRP A 91 -3.224 10.169 2.105 1.00 51.22 N ATOM 1355 CE2 TRP A 91 -3.245 10.809 3.327 1.00 54.51 C ATOM 1356 CE3 TRP A 91 -4.669 10.736 5.288 1.00 3.12 C ATOM 1357 CZ2 TRP A 91 -2.438 11.790 3.921 1.00 12.32 C ATOM 1358 CZ3 TRP A 91 -3.899 11.762 5.864 1.00 3.45 C ATOM 1359 CH2 TRP A 91 -2.776 12.271 5.196 1.00 53.02 C ATOM 0 H TRP A 91 -7.564 6.688 4.769 1.00 21.23 H new ATOM 0 HA TRP A 91 -4.870 6.380 3.636 1.00 0.02 H new ATOM 0 HB2 TRP A 91 -6.494 7.894 2.615 1.00 74.15 H new ATOM 0 HB3 TRP A 91 -6.727 8.721 4.143 1.00 74.15 H new ATOM 0 HD1 TRP A 91 -4.379 8.572 1.163 1.00 0.24 H new ATOM 0 HE1 TRP A 91 -2.567 10.386 1.356 1.00 51.22 H new ATOM 0 HE3 TRP A 91 -5.514 10.336 5.828 1.00 3.12 H new ATOM 0 HZ2 TRP A 91 -1.569 12.170 3.405 1.00 12.32 H new ATOM 0 HZ3 TRP A 91 -4.175 12.161 6.829 1.00 3.45 H new ATOM 0 HH2 TRP A 91 -2.170 13.034 5.663 1.00 53.02 H new ATOM 1370 N LYS A 92 -5.479 7.624 6.651 1.00 3.41 N ATOM 1371 CA LYS A 92 -4.903 7.948 7.955 1.00 11.40 C ATOM 1372 C LYS A 92 -4.047 6.803 8.487 1.00 21.43 C ATOM 1373 O LYS A 92 -2.886 7.046 8.823 1.00 11.43 O ATOM 1374 CB LYS A 92 -6.024 8.310 8.946 1.00 5.31 C ATOM 1375 CG LYS A 92 -6.646 9.700 8.716 1.00 14.01 C ATOM 1376 CD LYS A 92 -5.739 10.876 9.093 1.00 71.24 C ATOM 1377 CE LYS A 92 -5.409 10.888 10.587 1.00 72.33 C ATOM 1378 NZ LYS A 92 -4.745 12.138 11.006 1.00 20.30 N ATOM 0 H LYS A 92 -6.493 7.733 6.628 1.00 3.41 H new ATOM 0 HA LYS A 92 -4.247 8.810 7.837 1.00 11.40 H new ATOM 0 HB2 LYS A 92 -6.810 7.557 8.879 1.00 5.31 H new ATOM 0 HB3 LYS A 92 -5.626 8.266 9.960 1.00 5.31 H new ATOM 0 HG2 LYS A 92 -6.919 9.792 7.665 1.00 14.01 H new ATOM 0 HG3 LYS A 92 -7.568 9.770 9.292 1.00 14.01 H new ATOM 0 HD2 LYS A 92 -4.815 10.820 8.518 1.00 71.24 H new ATOM 0 HD3 LYS A 92 -6.227 11.812 8.822 1.00 71.24 H new ATOM 0 HE2 LYS A 92 -6.327 10.757 11.160 1.00 72.33 H new ATOM 0 HE3 LYS A 92 -4.764 10.041 10.821 1.00 72.33 H new ATOM 0 HZ1 LYS A 92 -4.542 12.098 12.025 1.00 20.30 H new ATOM 0 HZ2 LYS A 92 -3.855 12.252 10.480 1.00 20.30 H new ATOM 0 HZ3 LYS A 92 -5.370 12.946 10.809 1.00 20.30 H new ATOM 1392 N THR A 93 -4.573 5.586 8.588 1.00 33.31 N ATOM 1393 CA THR A 93 -3.838 4.482 9.196 1.00 75.23 C ATOM 1394 C THR A 93 -2.614 4.122 8.345 1.00 44.33 C ATOM 1395 O THR A 93 -1.524 3.917 8.884 1.00 11.40 O ATOM 1396 CB THR A 93 -4.787 3.290 9.410 1.00 63.41 C ATOM 1397 OG1 THR A 93 -6.045 3.755 9.853 1.00 11.31 O ATOM 1398 CG2 THR A 93 -4.252 2.298 10.437 1.00 11.31 C ATOM 0 H THR A 93 -5.506 5.339 8.257 1.00 33.31 H new ATOM 0 HA THR A 93 -3.459 4.779 10.174 1.00 75.23 H new ATOM 0 HB THR A 93 -4.874 2.778 8.452 1.00 63.41 H new ATOM 0 HG1 THR A 93 -6.647 2.993 9.986 1.00 11.31 H new ATOM 0 HG21 THR A 93 -4.959 1.476 10.551 1.00 11.31 H new ATOM 0 HG22 THR A 93 -3.292 1.907 10.100 1.00 11.31 H new ATOM 0 HG23 THR A 93 -4.122 2.801 11.395 1.00 11.31 H new ATOM 1406 N LEU A 94 -2.753 4.080 7.012 1.00 55.44 N ATOM 1407 CA LEU A 94 -1.655 3.715 6.114 1.00 74.44 C ATOM 1408 C LEU A 94 -0.500 4.704 6.248 1.00 24.30 C ATOM 1409 O LEU A 94 0.659 4.295 6.365 1.00 13.03 O ATOM 1410 CB LEU A 94 -2.153 3.616 4.655 1.00 60.32 C ATOM 1411 CG LEU A 94 -1.003 3.494 3.620 1.00 40.21 C ATOM 1412 CD1 LEU A 94 -1.344 2.548 2.479 1.00 31.12 C ATOM 1413 CD2 LEU A 94 -0.624 4.847 2.986 1.00 0.45 C ATOM 0 H LEU A 94 -3.626 4.297 6.531 1.00 55.44 H new ATOM 0 HA LEU A 94 -1.283 2.732 6.401 1.00 74.44 H new ATOM 0 HB2 LEU A 94 -2.810 2.752 4.561 1.00 60.32 H new ATOM 0 HB3 LEU A 94 -2.750 4.498 4.422 1.00 60.32 H new ATOM 0 HG LEU A 94 -0.164 3.104 4.197 1.00 40.21 H new ATOM 0 HD11 LEU A 94 -0.506 2.499 1.784 1.00 31.12 H new ATOM 0 HD12 LEU A 94 -1.543 1.553 2.878 1.00 31.12 H new ATOM 0 HD13 LEU A 94 -2.228 2.912 1.956 1.00 31.12 H new ATOM 0 HD21 LEU A 94 0.185 4.700 2.271 1.00 0.45 H new ATOM 0 HD22 LEU A 94 -1.491 5.264 2.473 1.00 0.45 H new ATOM 0 HD23 LEU A 94 -0.298 5.536 3.766 1.00 0.45 H new ATOM 1425 N THR A 95 -0.803 6.001 6.197 1.00 60.13 N ATOM 1426 CA THR A 95 0.228 7.031 6.168 1.00 51.01 C ATOM 1427 C THR A 95 1.015 7.046 7.477 1.00 3.33 C ATOM 1428 O THR A 95 2.248 7.162 7.462 1.00 15.34 O ATOM 1429 CB THR A 95 -0.393 8.397 5.828 1.00 23.44 C ATOM 1430 OG1 THR A 95 -1.509 8.716 6.634 1.00 71.31 O ATOM 1431 CG2 THR A 95 -0.790 8.443 4.356 1.00 71.21 C ATOM 0 H THR A 95 -1.757 6.361 6.175 1.00 60.13 H new ATOM 0 HA THR A 95 0.944 6.801 5.379 1.00 51.01 H new ATOM 0 HB THR A 95 0.372 9.145 6.034 1.00 23.44 H new ATOM 0 HG1 THR A 95 -2.295 8.227 6.312 1.00 71.31 H new ATOM 0 HG21 THR A 95 -1.228 9.415 4.128 1.00 71.21 H new ATOM 0 HG22 THR A 95 0.093 8.288 3.736 1.00 71.21 H new ATOM 0 HG23 THR A 95 -1.519 7.659 4.151 1.00 71.21 H new ATOM 1439 N SER A 96 0.317 6.866 8.601 1.00 21.12 N ATOM 1440 CA SER A 96 0.907 6.745 9.922 1.00 4.12 C ATOM 1441 C SER A 96 2.023 5.699 9.883 1.00 12.34 C ATOM 1442 O SER A 96 3.204 5.994 10.120 1.00 20.50 O ATOM 1443 CB SER A 96 -0.217 6.379 10.901 1.00 0.22 C ATOM 1444 OG SER A 96 0.097 6.744 12.222 1.00 61.35 O ATOM 0 H SER A 96 -0.701 6.800 8.610 1.00 21.12 H new ATOM 0 HA SER A 96 1.362 7.678 10.253 1.00 4.12 H new ATOM 0 HB2 SER A 96 -1.139 6.875 10.597 1.00 0.22 H new ATOM 0 HB3 SER A 96 -0.403 5.306 10.855 1.00 0.22 H new ATOM 0 HG SER A 96 -0.643 6.496 12.815 1.00 61.35 H new ATOM 1450 N LYS A 97 1.664 4.496 9.428 1.00 2.33 N ATOM 1451 CA LYS A 97 2.536 3.337 9.514 1.00 12.52 C ATOM 1452 C LYS A 97 3.770 3.410 8.613 1.00 44.35 C ATOM 1453 O LYS A 97 4.622 2.527 8.722 1.00 22.11 O ATOM 1454 CB LYS A 97 1.706 2.056 9.288 1.00 20.24 C ATOM 1455 CG LYS A 97 1.270 1.446 10.639 1.00 12.53 C ATOM 1456 CD LYS A 97 1.043 -0.066 10.568 1.00 51.23 C ATOM 1457 CE LYS A 97 0.831 -0.711 11.943 1.00 52.15 C ATOM 1458 NZ LYS A 97 0.851 -2.192 11.848 1.00 75.43 N ATOM 0 H LYS A 97 0.762 4.305 8.992 1.00 2.33 H new ATOM 0 HA LYS A 97 2.955 3.318 10.520 1.00 12.52 H new ATOM 0 HB2 LYS A 97 0.827 2.287 8.686 1.00 20.24 H new ATOM 0 HB3 LYS A 97 2.294 1.329 8.727 1.00 20.24 H new ATOM 0 HG2 LYS A 97 2.031 1.659 11.390 1.00 12.53 H new ATOM 0 HG3 LYS A 97 0.352 1.930 10.970 1.00 12.53 H new ATOM 0 HD2 LYS A 97 0.174 -0.267 9.942 1.00 51.23 H new ATOM 0 HD3 LYS A 97 1.900 -0.533 10.083 1.00 51.23 H new ATOM 0 HE2 LYS A 97 1.610 -0.377 12.629 1.00 52.15 H new ATOM 0 HE3 LYS A 97 -0.122 -0.383 12.359 1.00 52.15 H new ATOM 0 HZ1 LYS A 97 -0.052 -2.574 12.194 1.00 75.43 H new ATOM 0 HZ2 LYS A 97 0.989 -2.474 10.857 1.00 75.43 H new ATOM 0 HZ3 LYS A 97 1.630 -2.566 12.427 1.00 75.43 H new ATOM 1472 N LEU A 98 3.916 4.424 7.752 1.00 63.12 N ATOM 1473 CA LEU A 98 4.978 4.516 6.751 1.00 42.42 C ATOM 1474 C LEU A 98 5.962 5.646 7.049 1.00 71.12 C ATOM 1475 O LEU A 98 7.111 5.574 6.599 1.00 15.00 O ATOM 1476 CB LEU A 98 4.348 4.660 5.354 1.00 65.13 C ATOM 1477 CG LEU A 98 3.683 3.355 4.870 1.00 45.02 C ATOM 1478 CD1 LEU A 98 2.806 3.602 3.642 1.00 44.25 C ATOM 1479 CD2 LEU A 98 4.726 2.292 4.509 1.00 13.01 C ATOM 0 H LEU A 98 3.281 5.222 7.734 1.00 63.12 H new ATOM 0 HA LEU A 98 5.564 3.598 6.784 1.00 42.42 H new ATOM 0 HB2 LEU A 98 3.605 5.457 5.374 1.00 65.13 H new ATOM 0 HB3 LEU A 98 5.117 4.959 4.641 1.00 65.13 H new ATOM 0 HG LEU A 98 3.069 2.997 5.697 1.00 45.02 H new ATOM 0 HD11 LEU A 98 2.351 2.663 3.325 1.00 44.25 H new ATOM 0 HD12 LEU A 98 2.023 4.318 3.892 1.00 44.25 H new ATOM 0 HD13 LEU A 98 3.417 4.001 2.832 1.00 44.25 H new ATOM 0 HD21 LEU A 98 4.221 1.387 4.172 1.00 13.01 H new ATOM 0 HD22 LEU A 98 5.367 2.668 3.712 1.00 13.01 H new ATOM 0 HD23 LEU A 98 5.332 2.065 5.386 1.00 13.01 H new ATOM 1491 N LYS A 99 5.593 6.647 7.861 1.00 24.24 N ATOM 1492 CA LYS A 99 6.581 7.578 8.402 1.00 2.41 C ATOM 1493 C LYS A 99 7.556 6.790 9.281 1.00 52.34 C ATOM 1494 O LYS A 99 8.749 7.064 9.272 1.00 3.40 O ATOM 1495 CB LYS A 99 5.861 8.695 9.184 1.00 60.34 C ATOM 1496 CG LYS A 99 6.590 10.048 9.211 1.00 21.11 C ATOM 1497 CD LYS A 99 8.096 9.985 9.488 1.00 44.01 C ATOM 1498 CE LYS A 99 8.635 11.385 9.809 1.00 11.13 C ATOM 1499 NZ LYS A 99 10.027 11.612 9.361 1.00 54.41 N ATOM 0 H LYS A 99 4.632 6.828 8.151 1.00 24.24 H new ATOM 0 HA LYS A 99 7.149 8.057 7.604 1.00 2.41 H new ATOM 0 HB2 LYS A 99 4.872 8.842 8.750 1.00 60.34 H new ATOM 0 HB3 LYS A 99 5.712 8.360 10.210 1.00 60.34 H new ATOM 0 HG2 LYS A 99 6.436 10.542 8.252 1.00 21.11 H new ATOM 0 HG3 LYS A 99 6.125 10.675 9.971 1.00 21.11 H new ATOM 0 HD2 LYS A 99 8.292 9.312 10.323 1.00 44.01 H new ATOM 0 HD3 LYS A 99 8.616 9.577 8.621 1.00 44.01 H new ATOM 0 HE2 LYS A 99 7.988 12.128 9.342 1.00 11.13 H new ATOM 0 HE3 LYS A 99 8.580 11.546 10.886 1.00 11.13 H new ATOM 0 HZ1 LYS A 99 10.320 12.578 9.613 1.00 54.41 H new ATOM 0 HZ2 LYS A 99 10.657 10.927 9.825 1.00 54.41 H new ATOM 0 HZ3 LYS A 99 10.084 11.491 8.330 1.00 54.41 H new ATOM 1513 N GLU A 100 7.063 5.746 9.948 1.00 52.31 N ATOM 1514 CA GLU A 100 7.760 4.931 10.930 1.00 22.54 C ATOM 1515 C GLU A 100 9.181 4.519 10.549 1.00 32.12 C ATOM 1516 O GLU A 100 10.057 4.488 11.414 1.00 44.03 O ATOM 1517 CB GLU A 100 6.952 3.665 11.166 1.00 2.33 C ATOM 1518 CG GLU A 100 5.846 3.856 12.207 1.00 12.21 C ATOM 1519 CD GLU A 100 5.992 2.806 13.297 1.00 74.41 C ATOM 1520 OE1 GLU A 100 6.986 2.902 14.059 1.00 74.33 O ATOM 1521 OE2 GLU A 100 5.191 1.843 13.335 1.00 55.41 O ATOM 0 H GLU A 100 6.104 5.431 9.804 1.00 52.31 H new ATOM 0 HA GLU A 100 7.853 5.556 11.818 1.00 22.54 H new ATOM 0 HB2 GLU A 100 6.508 3.342 10.225 1.00 2.33 H new ATOM 0 HB3 GLU A 100 7.620 2.868 11.493 1.00 2.33 H new ATOM 0 HG2 GLU A 100 5.906 4.855 12.639 1.00 12.21 H new ATOM 0 HG3 GLU A 100 4.868 3.772 11.734 1.00 12.21 H new ATOM 1528 N LYS A 101 9.410 4.162 9.284 1.00 71.24 N ATOM 1529 CA LYS A 101 10.719 3.718 8.807 1.00 52.12 C ATOM 1530 C LYS A 101 11.261 4.626 7.713 1.00 41.43 C ATOM 1531 O LYS A 101 12.077 4.192 6.901 1.00 51.51 O ATOM 1532 CB LYS A 101 10.693 2.210 8.484 1.00 34.12 C ATOM 1533 CG LYS A 101 10.739 1.338 9.758 1.00 51.23 C ATOM 1534 CD LYS A 101 12.067 1.491 10.528 1.00 54.02 C ATOM 1535 CE LYS A 101 12.191 0.571 11.749 1.00 1.40 C ATOM 1536 NZ LYS A 101 12.438 -0.838 11.389 1.00 11.22 N ATOM 0 H LYS A 101 8.691 4.173 8.561 1.00 71.24 H new ATOM 0 HA LYS A 101 11.455 3.820 9.604 1.00 52.12 H new ATOM 0 HB2 LYS A 101 9.790 1.977 7.919 1.00 34.12 H new ATOM 0 HB3 LYS A 101 11.541 1.962 7.846 1.00 34.12 H new ATOM 0 HG2 LYS A 101 9.910 1.610 10.411 1.00 51.23 H new ATOM 0 HG3 LYS A 101 10.599 0.292 9.484 1.00 51.23 H new ATOM 0 HD2 LYS A 101 12.895 1.288 9.848 1.00 54.02 H new ATOM 0 HD3 LYS A 101 12.169 2.526 10.854 1.00 54.02 H new ATOM 0 HE2 LYS A 101 13.004 0.926 12.383 1.00 1.40 H new ATOM 0 HE3 LYS A 101 11.276 0.634 12.339 1.00 1.40 H new ATOM 0 HZ1 LYS A 101 12.512 -1.410 12.255 1.00 11.22 H new ATOM 0 HZ2 LYS A 101 11.651 -1.191 10.808 1.00 11.22 H new ATOM 0 HZ3 LYS A 101 13.325 -0.908 10.851 1.00 11.22 H new ATOM 1550 N GLY A 102 10.832 5.889 7.703 1.00 33.30 N ATOM 1551 CA GLY A 102 11.312 6.907 6.785 1.00 41.15 C ATOM 1552 C GLY A 102 11.036 6.487 5.350 1.00 15.41 C ATOM 1553 O GLY A 102 11.964 6.388 4.545 1.00 14.13 O ATOM 0 H GLY A 102 10.124 6.234 8.351 1.00 33.30 H new ATOM 0 HA2 GLY A 102 10.822 7.858 6.995 1.00 41.15 H new ATOM 0 HA3 GLY A 102 12.381 7.062 6.928 1.00 41.15 H new ATOM 1557 N LEU A 103 9.765 6.201 5.044 1.00 14.03 N ATOM 1558 CA LEU A 103 9.293 5.840 3.710 1.00 5.42 C ATOM 1559 C LEU A 103 8.392 6.939 3.131 1.00 55.35 C ATOM 1560 O LEU A 103 7.659 6.687 2.177 1.00 44.14 O ATOM 1561 CB LEU A 103 8.598 4.465 3.731 1.00 32.30 C ATOM 1562 CG LEU A 103 9.446 3.299 4.283 1.00 33.12 C ATOM 1563 CD1 LEU A 103 8.643 1.996 4.207 1.00 25.43 C ATOM 1564 CD2 LEU A 103 10.771 3.110 3.527 1.00 21.15 C ATOM 0 H LEU A 103 9.019 6.216 5.740 1.00 14.03 H new ATOM 0 HA LEU A 103 10.154 5.754 3.048 1.00 5.42 H new ATOM 0 HB2 LEU A 103 7.690 4.546 4.329 1.00 32.30 H new ATOM 0 HB3 LEU A 103 8.290 4.218 2.715 1.00 32.30 H new ATOM 0 HG LEU A 103 9.689 3.549 5.316 1.00 33.12 H new ATOM 0 HD11 LEU A 103 9.244 1.175 4.597 1.00 25.43 H new ATOM 0 HD12 LEU A 103 7.734 2.094 4.800 1.00 25.43 H new ATOM 0 HD13 LEU A 103 8.379 1.791 3.169 1.00 25.43 H new ATOM 0 HD21 LEU A 103 11.322 2.276 3.961 1.00 21.15 H new ATOM 0 HD22 LEU A 103 10.564 2.901 2.477 1.00 21.15 H new ATOM 0 HD23 LEU A 103 11.367 4.019 3.605 1.00 21.15 H new ATOM 1576 N VAL A 104 8.422 8.144 3.699 1.00 5.03 N ATOM 1577 CA VAL A 104 7.785 9.357 3.192 1.00 62.45 C ATOM 1578 C VAL A 104 8.672 10.573 3.485 1.00 5.00 C ATOM 1579 O VAL A 104 9.749 10.409 4.066 1.00 62.34 O ATOM 1580 CB VAL A 104 6.356 9.517 3.743 1.00 41.13 C ATOM 1581 CG1 VAL A 104 5.368 8.686 2.920 1.00 71.13 C ATOM 1582 CG2 VAL A 104 6.214 9.185 5.235 1.00 62.23 C ATOM 0 H VAL A 104 8.920 8.308 4.574 1.00 5.03 H new ATOM 0 HA VAL A 104 7.681 9.277 2.110 1.00 62.45 H new ATOM 0 HB VAL A 104 6.122 10.577 3.649 1.00 41.13 H new ATOM 0 HG11 VAL A 104 4.363 8.811 3.323 1.00 71.13 H new ATOM 0 HG12 VAL A 104 5.387 9.020 1.883 1.00 71.13 H new ATOM 0 HG13 VAL A 104 5.650 7.634 2.967 1.00 71.13 H new ATOM 0 HG21 VAL A 104 5.177 9.324 5.542 1.00 62.23 H new ATOM 0 HG22 VAL A 104 6.508 8.150 5.407 1.00 62.23 H new ATOM 0 HG23 VAL A 104 6.856 9.846 5.817 1.00 62.23 H new ATOM 1592 N THR A 105 8.249 11.772 3.085 1.00 43.03 N ATOM 1593 CA THR A 105 8.779 13.047 3.550 1.00 63.45 C ATOM 1594 C THR A 105 7.559 13.898 3.911 1.00 53.33 C ATOM 1595 O THR A 105 6.463 13.660 3.395 1.00 2.34 O ATOM 1596 CB THR A 105 9.679 13.710 2.480 1.00 23.44 C ATOM 1597 OG1 THR A 105 8.930 14.243 1.410 1.00 31.41 O ATOM 1598 CG2 THR A 105 10.684 12.742 1.846 1.00 60.54 C ATOM 0 H THR A 105 7.499 11.883 2.402 1.00 43.03 H new ATOM 0 HA THR A 105 9.428 12.925 4.418 1.00 63.45 H new ATOM 0 HB THR A 105 10.202 14.492 3.031 1.00 23.44 H new ATOM 0 HG1 THR A 105 9.536 14.653 0.759 1.00 31.41 H new ATOM 0 HG21 THR A 105 11.282 13.272 1.105 1.00 60.54 H new ATOM 0 HG22 THR A 105 11.338 12.338 2.619 1.00 60.54 H new ATOM 0 HG23 THR A 105 10.147 11.926 1.362 1.00 60.54 H new ATOM 1606 N ASP A 106 7.708 14.879 4.794 1.00 41.22 N ATOM 1607 CA ASP A 106 6.662 15.833 5.088 1.00 43.32 C ATOM 1608 C ASP A 106 6.359 16.661 3.836 1.00 32.34 C ATOM 1609 O ASP A 106 7.264 17.073 3.111 1.00 4.40 O ATOM 1610 CB ASP A 106 7.052 16.666 6.310 1.00 21.12 C ATOM 1611 CG ASP A 106 8.427 17.329 6.266 1.00 20.35 C ATOM 1612 OD1 ASP A 106 8.656 18.274 5.482 1.00 25.23 O ATOM 1613 OD2 ASP A 106 9.298 16.905 7.065 1.00 32.43 O ATOM 0 H ASP A 106 8.565 15.030 5.325 1.00 41.22 H new ATOM 0 HA ASP A 106 5.733 15.327 5.352 1.00 43.32 H new ATOM 0 HB2 ASP A 106 6.301 17.444 6.447 1.00 21.12 H new ATOM 0 HB3 ASP A 106 7.010 16.024 7.190 1.00 21.12 H new ATOM 1618 N GLY A 107 5.067 16.856 3.568 1.00 74.31 N ATOM 1619 CA GLY A 107 4.538 17.518 2.383 1.00 54.32 C ATOM 1620 C GLY A 107 4.261 16.577 1.209 1.00 40.14 C ATOM 1621 O GLY A 107 3.602 17.005 0.263 1.00 40.33 O ATOM 0 H GLY A 107 4.332 16.542 4.201 1.00 74.31 H new ATOM 0 HA2 GLY A 107 3.613 18.030 2.649 1.00 54.32 H new ATOM 0 HA3 GLY A 107 5.245 18.283 2.062 1.00 54.32 H new ATOM 1625 N GLN A 108 4.692 15.310 1.258 1.00 54.24 N ATOM 1626 CA GLN A 108 4.367 14.341 0.213 1.00 60.23 C ATOM 1627 C GLN A 108 2.861 14.137 0.094 1.00 1.43 C ATOM 1628 O GLN A 108 2.137 14.278 1.082 1.00 0.32 O ATOM 1629 CB GLN A 108 5.037 12.995 0.523 1.00 75.13 C ATOM 1630 CG GLN A 108 6.414 12.912 -0.109 1.00 33.24 C ATOM 1631 CD GLN A 108 6.259 12.366 -1.508 1.00 71.52 C ATOM 1632 OE1 GLN A 108 5.426 12.817 -2.290 1.00 3.42 O ATOM 1633 NE2 GLN A 108 6.999 11.332 -1.837 1.00 0.31 N ATOM 0 H GLN A 108 5.267 14.935 2.013 1.00 54.24 H new ATOM 0 HA GLN A 108 4.738 14.733 -0.734 1.00 60.23 H new ATOM 0 HB2 GLN A 108 5.120 12.867 1.602 1.00 75.13 H new ATOM 0 HB3 GLN A 108 4.414 12.181 0.153 1.00 75.13 H new ATOM 0 HG2 GLN A 108 6.880 13.897 -0.135 1.00 33.24 H new ATOM 0 HG3 GLN A 108 7.065 12.267 0.481 1.00 33.24 H new ATOM 0 HE21 GLN A 108 7.687 10.967 -1.178 1.00 0.31 H new ATOM 0 HE22 GLN A 108 6.886 10.894 -2.751 1.00 0.31 H new ATOM 1642 N THR A 109 2.401 13.689 -1.074 1.00 20.24 N ATOM 1643 CA THR A 109 0.984 13.585 -1.405 1.00 14.32 C ATOM 1644 C THR A 109 0.706 12.148 -1.851 1.00 32.52 C ATOM 1645 O THR A 109 1.180 11.711 -2.902 1.00 12.21 O ATOM 1646 CB THR A 109 0.566 14.659 -2.436 1.00 60.51 C ATOM 1647 OG1 THR A 109 1.597 15.599 -2.693 1.00 20.31 O ATOM 1648 CG2 THR A 109 -0.646 15.454 -1.956 1.00 22.15 C ATOM 0 H THR A 109 3.015 13.383 -1.829 1.00 20.24 H new ATOM 0 HA THR A 109 0.364 13.792 -0.532 1.00 14.32 H new ATOM 0 HB THR A 109 0.335 14.104 -3.345 1.00 60.51 H new ATOM 0 HG1 THR A 109 1.285 16.255 -3.351 1.00 20.31 H new ATOM 0 HG21 THR A 109 -0.912 16.200 -2.705 1.00 22.15 H new ATOM 0 HG22 THR A 109 -1.487 14.778 -1.802 1.00 22.15 H new ATOM 0 HG23 THR A 109 -0.405 15.953 -1.017 1.00 22.15 H new ATOM 1656 N VAL A 110 0.021 11.378 -1.012 1.00 33.45 N ATOM 1657 CA VAL A 110 -0.148 9.931 -1.120 1.00 43.11 C ATOM 1658 C VAL A 110 -1.611 9.709 -1.490 1.00 73.32 C ATOM 1659 O VAL A 110 -2.491 9.964 -0.667 1.00 52.11 O ATOM 1660 CB VAL A 110 0.298 9.313 0.231 1.00 13.20 C ATOM 1661 CG1 VAL A 110 0.030 7.811 0.338 1.00 34.13 C ATOM 1662 CG2 VAL A 110 1.802 9.544 0.478 1.00 21.20 C ATOM 0 H VAL A 110 -0.456 11.764 -0.197 1.00 33.45 H new ATOM 0 HA VAL A 110 0.457 9.445 -1.885 1.00 43.11 H new ATOM 0 HB VAL A 110 -0.304 9.822 0.983 1.00 13.20 H new ATOM 0 HG11 VAL A 110 0.368 7.449 1.309 1.00 34.13 H new ATOM 0 HG12 VAL A 110 -1.039 7.624 0.233 1.00 34.13 H new ATOM 0 HG13 VAL A 110 0.569 7.288 -0.452 1.00 34.13 H new ATOM 0 HG21 VAL A 110 2.086 9.100 1.432 1.00 21.20 H new ATOM 0 HG22 VAL A 110 2.378 9.081 -0.324 1.00 21.20 H new ATOM 0 HG23 VAL A 110 2.007 10.614 0.500 1.00 21.20 H new ATOM 1672 N THR A 111 -1.856 9.297 -2.737 1.00 32.43 N ATOM 1673 CA THR A 111 -3.186 9.188 -3.328 1.00 13.51 C ATOM 1674 C THR A 111 -3.611 7.713 -3.409 1.00 23.55 C ATOM 1675 O THR A 111 -2.791 6.838 -3.711 1.00 11.40 O ATOM 1676 CB THR A 111 -3.189 9.875 -4.708 1.00 72.24 C ATOM 1677 OG1 THR A 111 -2.694 11.200 -4.586 1.00 20.43 O ATOM 1678 CG2 THR A 111 -4.588 9.973 -5.328 1.00 43.42 C ATOM 0 H THR A 111 -1.112 9.023 -3.378 1.00 32.43 H new ATOM 0 HA THR A 111 -3.918 9.696 -2.700 1.00 13.51 H new ATOM 0 HB THR A 111 -2.562 9.259 -5.352 1.00 72.24 H new ATOM 0 HG1 THR A 111 -2.696 11.632 -5.465 1.00 20.43 H new ATOM 0 HG21 THR A 111 -4.522 10.466 -6.298 1.00 43.42 H new ATOM 0 HG22 THR A 111 -5.000 8.972 -5.457 1.00 43.42 H new ATOM 0 HG23 THR A 111 -5.238 10.551 -4.671 1.00 43.42 H new ATOM 1686 N ILE A 112 -4.883 7.416 -3.135 1.00 31.34 N ATOM 1687 CA ILE A 112 -5.445 6.065 -3.086 1.00 41.21 C ATOM 1688 C ILE A 112 -6.694 6.042 -3.955 1.00 33.30 C ATOM 1689 O ILE A 112 -7.485 6.982 -3.890 1.00 14.01 O ATOM 1690 CB ILE A 112 -5.821 5.640 -1.644 1.00 44.13 C ATOM 1691 CG1 ILE A 112 -4.967 6.339 -0.569 1.00 52.22 C ATOM 1692 CG2 ILE A 112 -5.740 4.108 -1.548 1.00 74.12 C ATOM 1693 CD1 ILE A 112 -5.215 5.872 0.864 1.00 75.14 C ATOM 0 H ILE A 112 -5.576 8.137 -2.934 1.00 31.34 H new ATOM 0 HA ILE A 112 -4.693 5.364 -3.447 1.00 41.21 H new ATOM 0 HB ILE A 112 -6.842 5.963 -1.439 1.00 44.13 H new ATOM 0 HG12 ILE A 112 -3.915 6.185 -0.807 1.00 52.22 H new ATOM 0 HG13 ILE A 112 -5.152 7.412 -0.622 1.00 52.22 H new ATOM 0 HG21 ILE A 112 -6.002 3.792 -0.538 1.00 74.12 H new ATOM 0 HG22 ILE A 112 -6.435 3.662 -2.259 1.00 74.12 H new ATOM 0 HG23 ILE A 112 -4.726 3.782 -1.778 1.00 74.12 H new ATOM 0 HD11 ILE A 112 -4.566 6.424 1.544 1.00 75.14 H new ATOM 0 HD12 ILE A 112 -6.257 6.052 1.130 1.00 75.14 H new ATOM 0 HD13 ILE A 112 -5.000 4.806 0.942 1.00 75.14 H new ATOM 1705 N HIS A 113 -6.880 4.974 -4.731 1.00 42.42 N ATOM 1706 CA HIS A 113 -7.953 4.835 -5.715 1.00 4.21 C ATOM 1707 C HIS A 113 -8.814 3.609 -5.414 1.00 40.41 C ATOM 1708 O HIS A 113 -8.397 2.464 -5.630 1.00 23.13 O ATOM 1709 CB HIS A 113 -7.356 4.745 -7.122 1.00 63.22 C ATOM 1710 CG HIS A 113 -6.445 5.906 -7.434 1.00 32.15 C ATOM 1711 ND1 HIS A 113 -6.801 7.087 -8.044 1.00 72.14 N ATOM 1712 CD2 HIS A 113 -5.152 6.035 -7.008 1.00 4.52 C ATOM 1713 CE1 HIS A 113 -5.748 7.919 -7.979 1.00 20.10 C ATOM 1714 NE2 HIS A 113 -4.724 7.312 -7.357 1.00 1.24 N ATOM 0 H HIS A 113 -6.270 4.158 -4.691 1.00 42.42 H new ATOM 0 HA HIS A 113 -8.596 5.714 -5.659 1.00 4.21 H new ATOM 0 HB2 HIS A 113 -6.799 3.813 -7.219 1.00 63.22 H new ATOM 0 HB3 HIS A 113 -8.162 4.712 -7.855 1.00 63.22 H new ATOM 0 HD2 HIS A 113 -4.570 5.284 -6.495 1.00 4.52 H new ATOM 0 HE1 HIS A 113 -5.728 8.926 -8.369 1.00 20.10 H new ATOM 0 HE2 HIS A 113 -3.804 7.713 -7.174 1.00 1.24 H new ATOM 1722 N CYS A 114 -10.043 3.845 -4.956 1.00 32.40 N ATOM 1723 CA CYS A 114 -11.067 2.818 -4.854 1.00 72.23 C ATOM 1724 C CYS A 114 -11.800 2.781 -6.190 1.00 4.13 C ATOM 1725 O CYS A 114 -12.448 3.757 -6.576 1.00 1.20 O ATOM 1726 CB CYS A 114 -12.014 3.117 -3.695 1.00 23.45 C ATOM 1727 SG CYS A 114 -13.089 1.688 -3.360 1.00 32.13 S ATOM 0 H CYS A 114 -10.354 4.765 -4.644 1.00 32.40 H new ATOM 0 HA CYS A 114 -10.626 1.843 -4.646 1.00 72.23 H new ATOM 0 HB2 CYS A 114 -11.439 3.363 -2.803 1.00 23.45 H new ATOM 0 HB3 CYS A 114 -12.623 3.989 -3.932 1.00 23.45 H new ATOM 0 HG CYS A 114 -14.135 2.078 -2.694 1.00 32.13 H new ATOM 1733 N ASN A 115 -11.664 1.674 -6.916 1.00 23.14 N ATOM 1734 CA ASN A 115 -12.273 1.478 -8.220 1.00 71.11 C ATOM 1735 C ASN A 115 -13.259 0.325 -8.116 1.00 4.02 C ATOM 1736 O ASN A 115 -12.878 -0.848 -8.125 1.00 54.01 O ATOM 1737 CB ASN A 115 -11.235 1.380 -9.348 1.00 2.23 C ATOM 1738 CG ASN A 115 -10.093 0.384 -9.185 1.00 22.22 C ATOM 1739 OD1 ASN A 115 -10.083 -0.677 -9.808 1.00 52.14 O ATOM 1740 ND2 ASN A 115 -9.061 0.749 -8.433 1.00 24.41 N ATOM 0 H ASN A 115 -11.115 0.874 -6.603 1.00 23.14 H new ATOM 0 HA ASN A 115 -12.845 2.357 -8.517 1.00 71.11 H new ATOM 0 HB2 ASN A 115 -11.764 1.133 -10.268 1.00 2.23 H new ATOM 0 HB3 ASN A 115 -10.798 2.369 -9.487 1.00 2.23 H new ATOM 0 HD21 ASN A 115 -8.241 0.146 -8.364 1.00 24.41 H new ATOM 0 HD22 ASN A 115 -9.088 1.633 -7.924 1.00 24.41 H new ATOM 1747 N ASP A 116 -14.523 0.692 -7.895 1.00 11.13 N ATOM 1748 CA ASP A 116 -15.620 -0.192 -7.524 1.00 24.21 C ATOM 1749 C ASP A 116 -16.194 -0.878 -8.767 1.00 53.22 C ATOM 1750 O ASP A 116 -15.830 -0.528 -9.896 1.00 51.32 O ATOM 1751 CB ASP A 116 -16.674 0.647 -6.780 1.00 43.31 C ATOM 1752 CG ASP A 116 -17.517 -0.169 -5.805 1.00 44.33 C ATOM 1753 OD1 ASP A 116 -18.321 -0.992 -6.277 1.00 40.05 O ATOM 1754 OD2 ASP A 116 -17.404 0.030 -4.572 1.00 21.40 O ATOM 0 H ASP A 116 -14.820 1.665 -7.975 1.00 11.13 H new ATOM 0 HA ASP A 116 -15.273 -0.988 -6.865 1.00 24.21 H new ATOM 0 HB2 ASP A 116 -16.173 1.447 -6.235 1.00 43.31 H new ATOM 0 HB3 ASP A 116 -17.331 1.121 -7.509 1.00 43.31 H new ATOM 1759 N LYS A 117 -17.103 -1.839 -8.604 1.00 14.54 N ATOM 1760 CA LYS A 117 -17.887 -2.409 -9.705 1.00 4.40 C ATOM 1761 C LYS A 117 -19.248 -2.937 -9.231 1.00 2.34 C ATOM 1762 O LYS A 117 -19.843 -3.819 -9.857 1.00 12.44 O ATOM 1763 CB LYS A 117 -17.061 -3.468 -10.458 1.00 74.41 C ATOM 1764 CG LYS A 117 -17.505 -3.592 -11.929 1.00 23.11 C ATOM 1765 CD LYS A 117 -17.034 -2.447 -12.838 1.00 11.23 C ATOM 1766 CE LYS A 117 -15.519 -2.530 -13.031 1.00 44.11 C ATOM 1767 NZ LYS A 117 -15.073 -1.828 -14.247 1.00 21.34 N ATOM 0 H LYS A 117 -17.320 -2.249 -7.696 1.00 14.54 H new ATOM 0 HA LYS A 117 -18.115 -1.612 -10.412 1.00 4.40 H new ATOM 0 HB2 LYS A 117 -16.004 -3.203 -10.417 1.00 74.41 H new ATOM 0 HB3 LYS A 117 -17.167 -4.433 -9.963 1.00 74.41 H new ATOM 0 HG2 LYS A 117 -17.130 -4.534 -12.330 1.00 23.11 H new ATOM 0 HG3 LYS A 117 -18.593 -3.641 -11.963 1.00 23.11 H new ATOM 0 HD2 LYS A 117 -17.537 -2.506 -13.803 1.00 11.23 H new ATOM 0 HD3 LYS A 117 -17.302 -1.487 -12.397 1.00 11.23 H new ATOM 0 HE2 LYS A 117 -15.020 -2.101 -12.162 1.00 44.11 H new ATOM 0 HE3 LYS A 117 -15.218 -3.576 -13.087 1.00 44.11 H new ATOM 0 HZ1 LYS A 117 -14.040 -1.911 -14.337 1.00 21.34 H new ATOM 0 HZ2 LYS A 117 -15.528 -2.253 -15.080 1.00 21.34 H new ATOM 0 HZ3 LYS A 117 -15.336 -0.824 -14.184 1.00 21.34 H new ATOM 1781 N SER A 118 -19.732 -2.451 -8.093 1.00 13.41 N ATOM 1782 CA SER A 118 -21.105 -2.623 -7.666 1.00 72.32 C ATOM 1783 C SER A 118 -21.970 -1.648 -8.467 1.00 44.35 C ATOM 1784 O SER A 118 -22.814 -2.067 -9.261 1.00 62.32 O ATOM 1785 CB SER A 118 -21.193 -2.360 -6.160 1.00 3.14 C ATOM 1786 OG SER A 118 -22.497 -2.633 -5.692 1.00 54.22 O ATOM 0 H SER A 118 -19.166 -1.917 -7.433 1.00 13.41 H new ATOM 0 HA SER A 118 -21.461 -3.637 -7.846 1.00 72.32 H new ATOM 0 HB2 SER A 118 -20.471 -2.983 -5.632 1.00 3.14 H new ATOM 0 HB3 SER A 118 -20.933 -1.323 -5.949 1.00 3.14 H new ATOM 0 HG SER A 118 -22.541 -2.463 -4.728 1.00 54.22 H new ATOM 1792 N ASP A 119 -21.758 -0.344 -8.273 1.00 54.52 N ATOM 1793 CA ASP A 119 -22.745 0.694 -8.590 1.00 14.00 C ATOM 1794 C ASP A 119 -22.157 1.778 -9.499 1.00 72.24 C ATOM 1795 O ASP A 119 -22.637 2.910 -9.538 1.00 1.13 O ATOM 1796 CB ASP A 119 -23.307 1.248 -7.280 1.00 11.10 C ATOM 1797 CG ASP A 119 -24.762 1.696 -7.364 1.00 13.13 C ATOM 1798 OD1 ASP A 119 -25.186 2.303 -8.371 1.00 23.14 O ATOM 1799 OD2 ASP A 119 -25.452 1.495 -6.336 1.00 13.01 O ATOM 0 H ASP A 119 -20.889 0.026 -7.888 1.00 54.52 H new ATOM 0 HA ASP A 119 -23.567 0.262 -9.161 1.00 14.00 H new ATOM 0 HB2 ASP A 119 -23.218 0.484 -6.508 1.00 11.10 H new ATOM 0 HB3 ASP A 119 -22.696 2.094 -6.964 1.00 11.10 H new ATOM 1804 N ASN A 120 -21.101 1.424 -10.245 1.00 14.32 N ATOM 1805 CA ASN A 120 -20.463 2.211 -11.312 1.00 54.04 C ATOM 1806 C ASN A 120 -19.605 3.347 -10.751 1.00 44.41 C ATOM 1807 O ASN A 120 -19.281 4.311 -11.448 1.00 44.42 O ATOM 1808 CB ASN A 120 -21.555 2.738 -12.253 1.00 13.20 C ATOM 1809 CG ASN A 120 -21.165 3.010 -13.688 1.00 54.11 C ATOM 1810 OD1 ASN A 120 -20.004 3.160 -14.055 1.00 31.13 O ATOM 1811 ND2 ASN A 120 -22.169 3.025 -14.548 1.00 21.24 N ATOM 0 H ASN A 120 -20.640 0.524 -10.112 1.00 14.32 H new ATOM 0 HA ASN A 120 -19.782 1.569 -11.870 1.00 54.04 H new ATOM 0 HB2 ASN A 120 -22.373 2.017 -12.257 1.00 13.20 H new ATOM 0 HB3 ASN A 120 -21.947 3.663 -11.829 1.00 13.20 H new ATOM 0 HD21 ASN A 120 -21.987 3.164 -15.542 1.00 21.24 H new ATOM 0 HD22 ASN A 120 -23.126 2.898 -14.217 1.00 21.24 H new ATOM 1818 N THR A 121 -19.217 3.261 -9.480 1.00 61.12 N ATOM 1819 CA THR A 121 -18.585 4.327 -8.735 1.00 51.43 C ATOM 1820 C THR A 121 -17.072 4.160 -8.796 1.00 72.32 C ATOM 1821 O THR A 121 -16.551 3.047 -8.914 1.00 73.24 O ATOM 1822 CB THR A 121 -19.123 4.334 -7.288 1.00 52.22 C ATOM 1823 OG1 THR A 121 -18.797 3.148 -6.590 1.00 54.51 O ATOM 1824 CG2 THR A 121 -20.649 4.432 -7.256 1.00 74.34 C ATOM 0 H THR A 121 -19.343 2.412 -8.928 1.00 61.12 H new ATOM 0 HA THR A 121 -18.824 5.296 -9.174 1.00 51.43 H new ATOM 0 HB THR A 121 -18.657 5.200 -6.818 1.00 52.22 H new ATOM 0 HG1 THR A 121 -19.155 3.196 -5.679 1.00 54.51 H new ATOM 0 HG21 THR A 121 -20.992 4.434 -6.221 1.00 74.34 H new ATOM 0 HG22 THR A 121 -20.965 5.354 -7.745 1.00 74.34 H new ATOM 0 HG23 THR A 121 -21.079 3.578 -7.779 1.00 74.34 H new ATOM 1832 N LYS A 122 -16.376 5.275 -8.656 1.00 4.42 N ATOM 1833 CA LYS A 122 -15.012 5.349 -8.149 1.00 13.32 C ATOM 1834 C LYS A 122 -14.937 6.612 -7.310 1.00 13.54 C ATOM 1835 O LYS A 122 -15.716 7.538 -7.548 1.00 4.42 O ATOM 1836 CB LYS A 122 -13.971 5.438 -9.277 1.00 24.40 C ATOM 1837 CG LYS A 122 -14.038 4.288 -10.290 1.00 1.51 C ATOM 1838 CD LYS A 122 -12.736 4.117 -11.071 1.00 2.10 C ATOM 1839 CE LYS A 122 -12.459 5.266 -12.042 1.00 52.23 C ATOM 1840 NZ LYS A 122 -11.274 4.978 -12.876 1.00 62.12 N ATOM 0 H LYS A 122 -16.757 6.189 -8.901 1.00 4.42 H new ATOM 0 HA LYS A 122 -14.787 4.447 -7.580 1.00 13.32 H new ATOM 0 HB2 LYS A 122 -14.106 6.381 -9.806 1.00 24.40 H new ATOM 0 HB3 LYS A 122 -12.975 5.460 -8.835 1.00 24.40 H new ATOM 0 HG2 LYS A 122 -14.268 3.360 -9.766 1.00 1.51 H new ATOM 0 HG3 LYS A 122 -14.855 4.471 -10.988 1.00 1.51 H new ATOM 0 HD2 LYS A 122 -11.907 4.036 -10.368 1.00 2.10 H new ATOM 0 HD3 LYS A 122 -12.774 3.181 -11.628 1.00 2.10 H new ATOM 0 HE2 LYS A 122 -13.328 5.425 -12.681 1.00 52.23 H new ATOM 0 HE3 LYS A 122 -12.300 6.189 -11.484 1.00 52.23 H new ATOM 0 HZ1 LYS A 122 -11.106 5.772 -13.527 1.00 62.12 H new ATOM 0 HZ2 LYS A 122 -10.442 4.849 -12.265 1.00 62.12 H new ATOM 0 HZ3 LYS A 122 -11.438 4.110 -13.424 1.00 62.12 H new ATOM 1854 N SER A 123 -13.978 6.681 -6.399 1.00 2.04 N ATOM 1855 CA SER A 123 -13.415 7.934 -5.928 1.00 74.43 C ATOM 1856 C SER A 123 -11.993 7.640 -5.458 1.00 42.21 C ATOM 1857 O SER A 123 -11.591 6.482 -5.308 1.00 60.43 O ATOM 1858 CB SER A 123 -14.291 8.581 -4.837 1.00 2.04 C ATOM 1859 OG SER A 123 -15.275 9.423 -5.403 1.00 21.21 O ATOM 0 H SER A 123 -13.565 5.857 -5.962 1.00 2.04 H new ATOM 0 HA SER A 123 -13.387 8.672 -6.730 1.00 74.43 H new ATOM 0 HB2 SER A 123 -14.772 7.803 -4.244 1.00 2.04 H new ATOM 0 HB3 SER A 123 -13.663 9.157 -4.157 1.00 2.04 H new ATOM 0 HG SER A 123 -15.633 9.008 -6.215 1.00 21.21 H new ATOM 1865 N SER A 124 -11.233 8.695 -5.202 1.00 3.02 N ATOM 1866 CA SER A 124 -9.874 8.620 -4.702 1.00 54.01 C ATOM 1867 C SER A 124 -9.711 9.608 -3.557 1.00 41.32 C ATOM 1868 O SER A 124 -10.530 10.521 -3.414 1.00 4.54 O ATOM 1869 CB SER A 124 -8.901 8.891 -5.854 1.00 42.01 C ATOM 1870 OG SER A 124 -9.284 10.042 -6.590 1.00 71.43 O ATOM 0 H SER A 124 -11.557 9.652 -5.341 1.00 3.02 H new ATOM 0 HA SER A 124 -9.653 7.626 -4.313 1.00 54.01 H new ATOM 0 HB2 SER A 124 -7.894 9.027 -5.459 1.00 42.01 H new ATOM 0 HB3 SER A 124 -8.869 8.026 -6.517 1.00 42.01 H new ATOM 0 HG SER A 124 -8.645 10.193 -7.318 1.00 71.43 H new ATOM 1876 N VAL A 125 -8.671 9.447 -2.745 1.00 35.34 N ATOM 1877 CA VAL A 125 -8.366 10.359 -1.654 1.00 23.11 C ATOM 1878 C VAL A 125 -6.877 10.678 -1.716 1.00 11.01 C ATOM 1879 O VAL A 125 -6.108 9.861 -2.223 1.00 11.32 O ATOM 1880 CB VAL A 125 -8.785 9.737 -0.308 1.00 40.45 C ATOM 1881 CG1 VAL A 125 -10.301 9.518 -0.219 1.00 2.11 C ATOM 1882 CG2 VAL A 125 -8.065 8.421 0.000 1.00 5.21 C ATOM 0 H VAL A 125 -8.012 8.673 -2.828 1.00 35.34 H new ATOM 0 HA VAL A 125 -8.927 11.289 -1.748 1.00 23.11 H new ATOM 0 HB VAL A 125 -8.485 10.468 0.443 1.00 40.45 H new ATOM 0 HG11 VAL A 125 -10.549 9.078 0.747 1.00 2.11 H new ATOM 0 HG12 VAL A 125 -10.814 10.474 -0.324 1.00 2.11 H new ATOM 0 HG13 VAL A 125 -10.619 8.846 -1.016 1.00 2.11 H new ATOM 0 HG21 VAL A 125 -8.406 8.036 0.961 1.00 5.21 H new ATOM 0 HG22 VAL A 125 -8.286 7.694 -0.781 1.00 5.21 H new ATOM 0 HG23 VAL A 125 -6.990 8.595 0.039 1.00 5.21 H new ATOM 1892 N SER A 126 -6.472 11.843 -1.215 1.00 64.41 N ATOM 1893 CA SER A 126 -5.096 12.294 -1.160 1.00 4.41 C ATOM 1894 C SER A 126 -4.988 13.368 -0.078 1.00 21.30 C ATOM 1895 O SER A 126 -5.760 14.332 -0.048 1.00 22.43 O ATOM 1896 CB SER A 126 -4.689 12.840 -2.530 1.00 3.01 C ATOM 1897 OG SER A 126 -3.289 13.002 -2.620 1.00 64.15 O ATOM 0 H SER A 126 -7.125 12.521 -0.822 1.00 64.41 H new ATOM 0 HA SER A 126 -4.423 11.473 -0.913 1.00 4.41 H new ATOM 0 HB2 SER A 126 -5.030 12.161 -3.311 1.00 3.01 H new ATOM 0 HB3 SER A 126 -5.180 13.797 -2.703 1.00 3.01 H new ATOM 0 HG SER A 126 -2.933 12.398 -3.305 1.00 64.15 H new ATOM 1903 N GLY A 127 -4.045 13.186 0.837 1.00 71.32 N ATOM 1904 CA GLY A 127 -3.697 14.136 1.880 1.00 20.22 C ATOM 1905 C GLY A 127 -2.191 14.315 1.908 1.00 42.31 C ATOM 1906 O GLY A 127 -1.484 13.742 1.072 1.00 40.51 O ATOM 0 H GLY A 127 -3.480 12.337 0.872 1.00 71.32 H new ATOM 0 HA2 GLY A 127 -4.186 15.093 1.695 1.00 20.22 H new ATOM 0 HA3 GLY A 127 -4.051 13.779 2.847 1.00 20.22 H new ATOM 1910 N LYS A 128 -1.686 15.075 2.877 1.00 64.31 N ATOM 1911 CA LYS A 128 -0.271 15.408 3.009 1.00 54.32 C ATOM 1912 C LYS A 128 0.304 14.753 4.240 1.00 24.24 C ATOM 1913 O LYS A 128 -0.386 14.577 5.238 1.00 0.02 O ATOM 1914 CB LYS A 128 -0.067 16.929 2.980 1.00 63.34 C ATOM 1915 CG LYS A 128 -0.144 17.411 1.527 1.00 54.42 C ATOM 1916 CD LYS A 128 -0.555 18.881 1.423 1.00 63.23 C ATOM 1917 CE LYS A 128 -0.653 19.285 -0.051 1.00 44.44 C ATOM 1918 NZ LYS A 128 -0.971 20.718 -0.192 1.00 62.43 N ATOM 0 H LYS A 128 -2.264 15.486 3.610 1.00 64.31 H new ATOM 0 HA LYS A 128 0.279 15.011 2.156 1.00 54.32 H new ATOM 0 HB2 LYS A 128 -0.829 17.423 3.582 1.00 63.34 H new ATOM 0 HB3 LYS A 128 0.899 17.188 3.413 1.00 63.34 H new ATOM 0 HG2 LYS A 128 0.826 17.273 1.049 1.00 54.42 H new ATOM 0 HG3 LYS A 128 -0.859 16.797 0.980 1.00 54.42 H new ATOM 0 HD2 LYS A 128 -1.514 19.037 1.918 1.00 63.23 H new ATOM 0 HD3 LYS A 128 0.173 19.510 1.935 1.00 63.23 H new ATOM 0 HE2 LYS A 128 0.290 19.068 -0.554 1.00 44.44 H new ATOM 0 HE3 LYS A 128 -1.421 18.689 -0.544 1.00 44.44 H new ATOM 0 HZ1 LYS A 128 -1.031 20.963 -1.201 1.00 62.43 H new ATOM 0 HZ2 LYS A 128 -1.882 20.918 0.268 1.00 62.43 H new ATOM 0 HZ3 LYS A 128 -0.224 21.285 0.258 1.00 62.43 H new ATOM 1932 N VAL A 129 1.563 14.345 4.149 1.00 13.45 N ATOM 1933 CA VAL A 129 2.186 13.503 5.160 1.00 20.13 C ATOM 1934 C VAL A 129 2.174 14.226 6.506 1.00 23.13 C ATOM 1935 O VAL A 129 2.732 15.315 6.653 1.00 33.13 O ATOM 1936 CB VAL A 129 3.580 13.069 4.682 1.00 71.14 C ATOM 1937 CG1 VAL A 129 4.431 12.389 5.762 1.00 32.42 C ATOM 1938 CG2 VAL A 129 3.385 12.081 3.525 1.00 24.53 C ATOM 0 H VAL A 129 2.179 14.588 3.374 1.00 13.45 H new ATOM 0 HA VAL A 129 1.622 12.583 5.309 1.00 20.13 H new ATOM 0 HB VAL A 129 4.118 13.971 4.390 1.00 71.14 H new ATOM 0 HG11 VAL A 129 5.399 12.114 5.343 1.00 32.42 H new ATOM 0 HG12 VAL A 129 4.578 13.076 6.595 1.00 32.42 H new ATOM 0 HG13 VAL A 129 3.921 11.493 6.116 1.00 32.42 H new ATOM 0 HG21 VAL A 129 4.358 11.751 3.160 1.00 24.53 H new ATOM 0 HG22 VAL A 129 2.817 11.219 3.875 1.00 24.53 H new ATOM 0 HG23 VAL A 129 2.841 12.570 2.717 1.00 24.53 H new ATOM 1948 N GLY A 130 1.488 13.615 7.471 1.00 35.15 N ATOM 1949 CA GLY A 130 1.362 14.088 8.843 1.00 42.01 C ATOM 1950 C GLY A 130 0.209 15.075 9.031 1.00 62.54 C ATOM 1951 O GLY A 130 -0.154 15.358 10.174 1.00 2.24 O ATOM 0 H GLY A 130 0.986 12.742 7.309 1.00 35.15 H new ATOM 0 HA2 GLY A 130 1.213 13.234 9.504 1.00 42.01 H new ATOM 0 HA3 GLY A 130 2.294 14.565 9.144 1.00 42.01 H new ATOM 1955 N ALA A 131 -0.376 15.568 7.939 1.00 4.35 N ATOM 1956 CA ALA A 131 -1.484 16.506 7.884 1.00 32.51 C ATOM 1957 C ALA A 131 -2.802 15.744 7.682 1.00 74.14 C ATOM 1958 O ALA A 131 -2.839 14.513 7.734 1.00 40.42 O ATOM 1959 CB ALA A 131 -1.215 17.478 6.724 1.00 4.22 C ATOM 0 H ALA A 131 -0.061 15.300 7.007 1.00 4.35 H new ATOM 0 HA ALA A 131 -1.571 17.065 8.815 1.00 32.51 H new ATOM 0 HB1 ALA A 131 -2.031 18.197 6.655 1.00 4.22 H new ATOM 0 HB2 ALA A 131 -0.279 18.007 6.902 1.00 4.22 H new ATOM 0 HB3 ALA A 131 -1.144 16.920 5.791 1.00 4.22 H new ATOM 1965 N ASP A 132 -3.885 16.488 7.453 1.00 32.34 N ATOM 1966 CA ASP A 132 -5.184 15.941 7.067 1.00 74.24 C ATOM 1967 C ASP A 132 -5.290 15.866 5.533 1.00 73.34 C ATOM 1968 O ASP A 132 -4.311 16.079 4.808 1.00 62.24 O ATOM 1969 CB ASP A 132 -6.314 16.767 7.706 1.00 60.31 C ATOM 1970 CG ASP A 132 -7.506 15.889 8.094 1.00 60.41 C ATOM 1971 OD1 ASP A 132 -8.122 15.259 7.216 1.00 3.00 O ATOM 1972 OD2 ASP A 132 -7.831 15.791 9.302 1.00 42.44 O ATOM 0 H ASP A 132 -3.883 17.505 7.532 1.00 32.34 H new ATOM 0 HA ASP A 132 -5.285 14.922 7.441 1.00 74.24 H new ATOM 0 HB2 ASP A 132 -5.935 17.279 8.591 1.00 60.31 H new ATOM 0 HB3 ASP A 132 -6.641 17.537 7.008 1.00 60.31 H new ATOM 1977 N LEU A 133 -6.476 15.546 5.017 1.00 3.53 N ATOM 1978 CA LEU A 133 -6.776 15.319 3.606 1.00 45.35 C ATOM 1979 C LEU A 133 -7.212 16.603 2.906 1.00 61.14 C ATOM 1980 O LEU A 133 -8.321 17.090 3.135 1.00 3.43 O ATOM 1981 CB LEU A 133 -7.885 14.265 3.489 1.00 53.23 C ATOM 1982 CG LEU A 133 -7.324 12.832 3.528 1.00 13.20 C ATOM 1983 CD1 LEU A 133 -8.119 11.981 4.500 1.00 44.43 C ATOM 1984 CD2 LEU A 133 -7.497 12.154 2.176 1.00 23.40 C ATOM 0 H LEU A 133 -7.300 15.432 5.608 1.00 3.53 H new ATOM 0 HA LEU A 133 -5.867 14.968 3.118 1.00 45.35 H new ATOM 0 HB2 LEU A 133 -8.598 14.397 4.302 1.00 53.23 H new ATOM 0 HB3 LEU A 133 -8.431 14.415 2.558 1.00 53.23 H new ATOM 0 HG LEU A 133 -6.275 12.911 3.813 1.00 13.20 H new ATOM 0 HD11 LEU A 133 -7.711 10.970 4.517 1.00 44.43 H new ATOM 0 HD12 LEU A 133 -8.057 12.414 5.498 1.00 44.43 H new ATOM 0 HD13 LEU A 133 -9.162 11.946 4.184 1.00 44.43 H new ATOM 0 HD21 LEU A 133 -7.095 11.142 2.222 1.00 23.40 H new ATOM 0 HD22 LEU A 133 -8.556 12.112 1.923 1.00 23.40 H new ATOM 0 HD23 LEU A 133 -6.964 12.722 1.413 1.00 23.40 H new ATOM 1996 N THR A 134 -6.385 17.114 1.992 1.00 63.15 N ATOM 1997 CA THR A 134 -6.781 18.162 1.056 1.00 34.54 C ATOM 1998 C THR A 134 -7.845 17.647 0.072 1.00 21.10 C ATOM 1999 O THR A 134 -8.740 18.404 -0.307 1.00 63.35 O ATOM 2000 CB THR A 134 -5.531 18.770 0.388 1.00 11.24 C ATOM 2001 OG1 THR A 134 -5.822 20.003 -0.236 1.00 40.11 O ATOM 2002 CG2 THR A 134 -4.847 17.850 -0.617 1.00 32.22 C ATOM 0 H THR A 134 -5.418 16.810 1.882 1.00 63.15 H new ATOM 0 HA THR A 134 -7.265 18.979 1.592 1.00 34.54 H new ATOM 0 HB THR A 134 -4.832 18.923 1.210 1.00 11.24 H new ATOM 0 HG1 THR A 134 -5.008 20.361 -0.648 1.00 40.11 H new ATOM 0 HG21 THR A 134 -3.978 18.355 -1.040 1.00 32.22 H new ATOM 0 HG22 THR A 134 -4.528 16.936 -0.115 1.00 32.22 H new ATOM 0 HG23 THR A 134 -5.545 17.600 -1.416 1.00 32.22 H new ATOM 2010 N SER A 135 -7.817 16.360 -0.292 1.00 2.10 N ATOM 2011 CA SER A 135 -8.645 15.772 -1.336 1.00 25.42 C ATOM 2012 C SER A 135 -9.306 14.515 -0.768 1.00 72.45 C ATOM 2013 O SER A 135 -8.695 13.451 -0.705 1.00 11.22 O ATOM 2014 CB SER A 135 -7.755 15.489 -2.562 1.00 41.15 C ATOM 2015 OG SER A 135 -8.442 15.236 -3.785 1.00 11.40 O ATOM 0 H SER A 135 -7.196 15.682 0.150 1.00 2.10 H new ATOM 0 HA SER A 135 -9.440 16.442 -1.662 1.00 25.42 H new ATOM 0 HB2 SER A 135 -7.092 16.341 -2.710 1.00 41.15 H new ATOM 0 HB3 SER A 135 -7.124 14.629 -2.338 1.00 41.15 H new ATOM 0 HG SER A 135 -7.790 15.071 -4.498 1.00 11.40 H new ATOM 2021 N GLY A 136 -10.556 14.618 -0.332 1.00 11.25 N ATOM 2022 CA GLY A 136 -11.410 13.480 -0.039 1.00 13.13 C ATOM 2023 C GLY A 136 -12.220 13.796 1.193 1.00 33.54 C ATOM 2024 O GLY A 136 -13.350 14.267 1.111 1.00 40.11 O ATOM 0 H GLY A 136 -11.011 15.516 -0.170 1.00 11.25 H new ATOM 0 HA2 GLY A 136 -12.068 13.273 -0.883 1.00 13.13 H new ATOM 0 HA3 GLY A 136 -10.808 12.586 0.122 1.00 13.13 H new ATOM 2028 N ASN A 137 -11.571 13.578 2.331 1.00 51.24 N ATOM 2029 CA ASN A 137 -11.966 13.995 3.667 1.00 42.22 C ATOM 2030 C ASN A 137 -13.446 13.752 3.971 1.00 43.31 C ATOM 2031 O ASN A 137 -14.185 14.667 4.327 1.00 43.41 O ATOM 2032 CB ASN A 137 -11.527 15.446 3.852 1.00 20.24 C ATOM 2033 CG ASN A 137 -11.241 15.849 5.287 1.00 12.45 C ATOM 2034 OD1 ASN A 137 -10.618 14.976 6.054 1.00 13.22 O flip ATOM 2035 ND2 ASN A 137 -11.479 16.989 5.676 1.00 54.01 N flip ATOM 0 H ASN A 137 -10.689 13.066 2.342 1.00 51.24 H new ATOM 0 HA ASN A 137 -11.462 13.372 4.406 1.00 42.22 H new ATOM 0 HB2 ASN A 137 -10.631 15.618 3.256 1.00 20.24 H new ATOM 0 HB3 ASN A 137 -12.304 16.099 3.455 1.00 20.24 H new ATOM 0 HD21 ASN A 137 -11.962 17.646 5.064 1.00 54.01 H new ATOM 0 HD22 ASN A 137 -11.193 17.279 6.611 1.00 54.01 H new ATOM 2042 N GLY A 138 -13.862 12.504 3.789 1.00 43.22 N ATOM 2043 CA GLY A 138 -15.190 12.009 4.158 1.00 1.43 C ATOM 2044 C GLY A 138 -15.761 10.915 3.248 1.00 14.21 C ATOM 2045 O GLY A 138 -16.923 10.528 3.390 1.00 21.21 O ATOM 0 H GLY A 138 -13.271 11.786 3.369 1.00 43.22 H new ATOM 0 HA2 GLY A 138 -15.145 11.624 5.177 1.00 1.43 H new ATOM 0 HA3 GLY A 138 -15.883 12.850 4.166 1.00 1.43 H new ATOM 2049 N THR A 139 -14.983 10.410 2.296 1.00 35.31 N ATOM 2050 CA THR A 139 -15.370 9.322 1.406 1.00 45.22 C ATOM 2051 C THR A 139 -15.586 8.031 2.218 1.00 1.03 C ATOM 2052 O THR A 139 -15.113 7.915 3.350 1.00 21.52 O ATOM 2053 CB THR A 139 -14.264 9.146 0.337 1.00 1.31 C ATOM 2054 OG1 THR A 139 -13.576 10.374 0.104 1.00 60.43 O ATOM 2055 CG2 THR A 139 -14.837 8.645 -0.985 1.00 41.13 C ATOM 0 H THR A 139 -14.040 10.756 2.118 1.00 35.31 H new ATOM 0 HA THR A 139 -16.310 9.552 0.905 1.00 45.22 H new ATOM 0 HB THR A 139 -13.566 8.405 0.727 1.00 1.31 H new ATOM 0 HG1 THR A 139 -12.995 10.280 -0.679 1.00 60.43 H new ATOM 0 HG21 THR A 139 -14.032 8.533 -1.711 1.00 41.13 H new ATOM 0 HG22 THR A 139 -15.322 7.681 -0.829 1.00 41.13 H new ATOM 0 HG23 THR A 139 -15.567 9.362 -1.360 1.00 41.13 H new ATOM 2063 N THR A 140 -16.206 7.024 1.612 1.00 62.13 N ATOM 2064 CA THR A 140 -16.357 5.665 2.128 1.00 14.51 C ATOM 2065 C THR A 140 -16.029 4.729 0.962 1.00 73.42 C ATOM 2066 O THR A 140 -16.342 5.057 -0.186 1.00 52.35 O ATOM 2067 CB THR A 140 -17.778 5.424 2.693 1.00 33.14 C ATOM 2068 OG1 THR A 140 -18.366 6.622 3.179 1.00 42.35 O ATOM 2069 CG2 THR A 140 -17.763 4.369 3.801 1.00 3.03 C ATOM 0 H THR A 140 -16.641 7.139 0.697 1.00 62.13 H new ATOM 0 HA THR A 140 -15.685 5.483 2.967 1.00 14.51 H new ATOM 0 HB THR A 140 -18.385 5.058 1.865 1.00 33.14 H new ATOM 0 HG1 THR A 140 -19.262 6.429 3.526 1.00 42.35 H new ATOM 0 HG21 THR A 140 -18.775 4.222 4.177 1.00 3.03 H new ATOM 0 HG22 THR A 140 -17.384 3.428 3.402 1.00 3.03 H new ATOM 0 HG23 THR A 140 -17.119 4.704 4.614 1.00 3.03 H new ATOM 2077 N PHE A 141 -15.361 3.608 1.236 1.00 14.22 N ATOM 2078 CA PHE A 141 -14.789 2.696 0.254 1.00 44.43 C ATOM 2079 C PHE A 141 -14.864 1.262 0.761 1.00 75.23 C ATOM 2080 O PHE A 141 -15.025 1.025 1.958 1.00 53.11 O ATOM 2081 CB PHE A 141 -13.303 3.026 0.065 1.00 55.23 C ATOM 2082 CG PHE A 141 -12.947 4.333 -0.603 1.00 71.11 C ATOM 2083 CD1 PHE A 141 -13.708 4.848 -1.666 1.00 40.54 C ATOM 2084 CD2 PHE A 141 -11.758 4.974 -0.225 1.00 53.44 C ATOM 2085 CE1 PHE A 141 -13.271 5.993 -2.347 1.00 73.12 C ATOM 2086 CE2 PHE A 141 -11.338 6.140 -0.887 1.00 20.30 C ATOM 2087 CZ PHE A 141 -12.090 6.645 -1.960 1.00 1.00 C ATOM 0 H PHE A 141 -15.198 3.300 2.195 1.00 14.22 H new ATOM 0 HA PHE A 141 -15.345 2.802 -0.678 1.00 44.43 H new ATOM 0 HB2 PHE A 141 -12.830 3.013 1.047 1.00 55.23 H new ATOM 0 HB3 PHE A 141 -12.853 2.221 -0.516 1.00 55.23 H new ATOM 0 HD1 PHE A 141 -14.628 4.363 -1.958 1.00 40.54 H new ATOM 0 HD2 PHE A 141 -11.162 4.569 0.579 1.00 53.44 H new ATOM 0 HE1 PHE A 141 -13.848 6.376 -3.176 1.00 73.12 H new ATOM 0 HE2 PHE A 141 -10.438 6.647 -0.571 1.00 20.30 H new ATOM 0 HZ PHE A 141 -11.761 7.530 -2.484 1.00 1.00 H new ATOM 2097 N LYS A 142 -14.644 0.288 -0.127 1.00 54.51 N ATOM 2098 CA LYS A 142 -14.675 -1.125 0.231 1.00 45.05 C ATOM 2099 C LYS A 142 -13.311 -1.732 0.023 1.00 12.14 C ATOM 2100 O LYS A 142 -12.725 -1.562 -1.046 1.00 13.33 O ATOM 2101 CB LYS A 142 -15.709 -1.898 -0.591 1.00 33.25 C ATOM 2102 CG LYS A 142 -17.027 -1.132 -0.699 1.00 33.14 C ATOM 2103 CD LYS A 142 -18.177 -2.008 -1.194 1.00 64.45 C ATOM 2104 CE LYS A 142 -19.466 -1.282 -0.822 1.00 52.44 C ATOM 2105 NZ LYS A 142 -20.657 -1.855 -1.470 1.00 1.13 N ATOM 0 H LYS A 142 -14.440 0.461 -1.111 1.00 54.51 H new ATOM 0 HA LYS A 142 -14.961 -1.195 1.281 1.00 45.05 H new ATOM 0 HB2 LYS A 142 -15.314 -2.087 -1.589 1.00 33.25 H new ATOM 0 HB3 LYS A 142 -15.889 -2.869 -0.130 1.00 33.25 H new ATOM 0 HG2 LYS A 142 -17.284 -0.719 0.276 1.00 33.14 H new ATOM 0 HG3 LYS A 142 -16.899 -0.289 -1.378 1.00 33.14 H new ATOM 0 HD2 LYS A 142 -18.114 -2.159 -2.272 1.00 64.45 H new ATOM 0 HD3 LYS A 142 -18.140 -2.994 -0.732 1.00 64.45 H new ATOM 0 HE2 LYS A 142 -19.596 -1.316 0.260 1.00 52.44 H new ATOM 0 HE3 LYS A 142 -19.378 -0.232 -1.100 1.00 52.44 H new ATOM 0 HZ1 LYS A 142 -21.501 -1.321 -1.180 1.00 1.13 H new ATOM 0 HZ2 LYS A 142 -20.551 -1.800 -2.503 1.00 1.13 H new ATOM 0 HZ3 LYS A 142 -20.762 -2.850 -1.186 1.00 1.13 H new ATOM 2119 N LYS A 143 -12.855 -2.522 0.990 1.00 74.51 N ATOM 2120 CA LYS A 143 -11.571 -3.223 0.907 1.00 34.25 C ATOM 2121 C LYS A 143 -11.425 -3.969 -0.420 1.00 11.50 C ATOM 2122 O LYS A 143 -10.403 -3.853 -1.096 1.00 51.11 O ATOM 2123 CB LYS A 143 -11.360 -4.104 2.154 1.00 51.42 C ATOM 2124 CG LYS A 143 -11.950 -5.508 2.120 1.00 60.21 C ATOM 2125 CD LYS A 143 -11.319 -6.310 3.255 1.00 20.23 C ATOM 2126 CE LYS A 143 -9.885 -6.744 2.904 1.00 4.11 C ATOM 2127 NZ LYS A 143 -9.825 -8.163 2.508 1.00 73.24 N ATOM 0 H LYS A 143 -13.364 -2.697 1.857 1.00 74.51 H new ATOM 0 HA LYS A 143 -10.762 -2.493 0.910 1.00 34.25 H new ATOM 0 HB2 LYS A 143 -10.288 -4.192 2.328 1.00 51.42 H new ATOM 0 HB3 LYS A 143 -11.781 -3.581 3.013 1.00 51.42 H new ATOM 0 HG2 LYS A 143 -13.033 -5.470 2.236 1.00 60.21 H new ATOM 0 HG3 LYS A 143 -11.749 -5.983 1.160 1.00 60.21 H new ATOM 0 HD2 LYS A 143 -11.307 -5.709 4.164 1.00 20.23 H new ATOM 0 HD3 LYS A 143 -11.927 -7.190 3.463 1.00 20.23 H new ATOM 0 HE2 LYS A 143 -9.506 -6.123 2.092 1.00 4.11 H new ATOM 0 HE3 LYS A 143 -9.234 -6.578 3.763 1.00 4.11 H new ATOM 0 HZ1 LYS A 143 -8.998 -8.318 1.897 1.00 73.24 H new ATOM 0 HZ2 LYS A 143 -9.744 -8.757 3.358 1.00 73.24 H new ATOM 0 HZ3 LYS A 143 -10.691 -8.416 1.990 1.00 73.24 H new ATOM 2141 N ARG A 144 -12.487 -4.653 -0.861 1.00 34.44 N ATOM 2142 CA ARG A 144 -12.513 -5.420 -2.105 1.00 74.24 C ATOM 2143 C ARG A 144 -12.420 -4.571 -3.383 1.00 4.30 C ATOM 2144 O ARG A 144 -12.431 -5.146 -4.466 1.00 40.05 O ATOM 2145 CB ARG A 144 -13.695 -6.410 -2.109 1.00 71.24 C ATOM 2146 CG ARG A 144 -15.098 -5.779 -2.138 1.00 24.31 C ATOM 2147 CD ARG A 144 -16.189 -6.818 -1.825 1.00 31.40 C ATOM 2148 NE ARG A 144 -16.342 -7.864 -2.861 1.00 1.25 N ATOM 2149 CZ ARG A 144 -17.229 -7.844 -3.867 1.00 23.40 C ATOM 2150 NH1 ARG A 144 -17.845 -6.709 -4.177 1.00 31.42 N ATOM 2151 NH2 ARG A 144 -17.511 -8.937 -4.574 1.00 0.25 N ATOM 0 H ARG A 144 -13.369 -4.687 -0.350 1.00 34.44 H new ATOM 0 HA ARG A 144 -11.592 -6.002 -2.128 1.00 74.24 H new ATOM 0 HB2 ARG A 144 -13.594 -7.064 -2.975 1.00 71.24 H new ATOM 0 HB3 ARG A 144 -13.619 -7.040 -1.223 1.00 71.24 H new ATOM 0 HG2 ARG A 144 -15.148 -4.967 -1.413 1.00 24.31 H new ATOM 0 HG3 ARG A 144 -15.281 -5.341 -3.119 1.00 24.31 H new ATOM 0 HD2 ARG A 144 -15.958 -7.296 -0.873 1.00 31.40 H new ATOM 0 HD3 ARG A 144 -17.141 -6.303 -1.701 1.00 31.40 H new ATOM 0 HE ARG A 144 -15.719 -8.670 -2.805 1.00 1.25 H new ATOM 0 HH11 ARG A 144 -17.643 -5.859 -3.651 1.00 31.42 H new ATOM 0 HH12 ARG A 144 -18.520 -6.688 -4.941 1.00 31.42 H new ATOM 0 HH21 ARG A 144 -17.048 -9.819 -4.356 1.00 0.25 H new ATOM 0 HH22 ARG A 144 -18.190 -8.892 -5.334 1.00 0.25 H new ATOM 2165 N PHE A 145 -12.300 -3.243 -3.296 1.00 42.21 N ATOM 2166 CA PHE A 145 -12.174 -2.339 -4.439 1.00 40.11 C ATOM 2167 C PHE A 145 -11.083 -1.264 -4.255 1.00 51.22 C ATOM 2168 O PHE A 145 -10.813 -0.505 -5.190 1.00 73.54 O ATOM 2169 CB PHE A 145 -13.544 -1.697 -4.692 1.00 2.01 C ATOM 2170 CG PHE A 145 -14.655 -2.641 -5.134 1.00 43.23 C ATOM 2171 CD1 PHE A 145 -14.518 -3.409 -6.306 1.00 63.51 C ATOM 2172 CD2 PHE A 145 -15.890 -2.638 -4.463 1.00 75.43 C ATOM 2173 CE1 PHE A 145 -15.609 -4.130 -6.819 1.00 72.31 C ATOM 2174 CE2 PHE A 145 -16.975 -3.381 -4.957 1.00 34.53 C ATOM 2175 CZ PHE A 145 -16.842 -4.114 -6.145 1.00 2.00 C ATOM 0 H PHE A 145 -12.288 -2.754 -2.401 1.00 42.21 H new ATOM 0 HA PHE A 145 -11.855 -2.923 -5.302 1.00 40.11 H new ATOM 0 HB2 PHE A 145 -13.863 -1.197 -3.778 1.00 2.01 H new ATOM 0 HB3 PHE A 145 -13.426 -0.926 -5.453 1.00 2.01 H new ATOM 0 HD1 PHE A 145 -13.566 -3.444 -6.815 1.00 63.51 H new ATOM 0 HD2 PHE A 145 -16.006 -2.059 -3.559 1.00 75.43 H new ATOM 0 HE1 PHE A 145 -15.500 -4.697 -7.732 1.00 72.31 H new ATOM 0 HE2 PHE A 145 -17.913 -3.388 -4.421 1.00 34.53 H new ATOM 0 HZ PHE A 145 -17.683 -4.664 -6.540 1.00 2.00 H new ATOM 2185 N ILE A 146 -10.443 -1.167 -3.082 1.00 63.22 N ATOM 2186 CA ILE A 146 -9.268 -0.321 -2.860 1.00 22.10 C ATOM 2187 C ILE A 146 -8.082 -1.095 -3.441 1.00 2.24 C ATOM 2188 O ILE A 146 -7.559 -1.987 -2.771 1.00 42.33 O ATOM 2189 CB ILE A 146 -9.091 -0.003 -1.351 1.00 1.55 C ATOM 2190 CG1 ILE A 146 -10.282 0.809 -0.789 1.00 1.42 C ATOM 2191 CG2 ILE A 146 -7.792 0.793 -1.108 1.00 54.01 C ATOM 2192 CD1 ILE A 146 -10.406 0.713 0.739 1.00 62.51 C ATOM 0 H ILE A 146 -10.733 -1.682 -2.251 1.00 63.22 H new ATOM 0 HA ILE A 146 -9.364 0.649 -3.347 1.00 22.10 H new ATOM 0 HB ILE A 146 -9.043 -0.961 -0.834 1.00 1.55 H new ATOM 0 HG12 ILE A 146 -10.168 1.855 -1.074 1.00 1.42 H new ATOM 0 HG13 ILE A 146 -11.205 0.453 -1.246 1.00 1.42 H new ATOM 0 HG21 ILE A 146 -7.689 1.005 -0.044 1.00 54.01 H new ATOM 0 HG22 ILE A 146 -6.937 0.207 -1.446 1.00 54.01 H new ATOM 0 HG23 ILE A 146 -7.831 1.731 -1.662 1.00 54.01 H new ATOM 0 HD11 ILE A 146 -11.259 1.303 1.073 1.00 62.51 H new ATOM 0 HD12 ILE A 146 -10.550 -0.328 1.028 1.00 62.51 H new ATOM 0 HD13 ILE A 146 -9.497 1.096 1.203 1.00 62.51 H new ATOM 2204 N ASP A 147 -7.692 -0.837 -4.694 1.00 52.03 N ATOM 2205 CA ASP A 147 -6.648 -1.640 -5.352 1.00 54.12 C ATOM 2206 C ASP A 147 -5.596 -0.833 -6.123 1.00 11.53 C ATOM 2207 O ASP A 147 -4.658 -1.433 -6.642 1.00 33.54 O ATOM 2208 CB ASP A 147 -7.182 -2.824 -6.201 1.00 23.14 C ATOM 2209 CG ASP A 147 -8.692 -3.018 -6.287 1.00 63.33 C ATOM 2210 OD1 ASP A 147 -9.290 -3.586 -5.339 1.00 1.01 O ATOM 2211 OD2 ASP A 147 -9.276 -2.677 -7.340 1.00 63.14 O ATOM 0 H ASP A 147 -8.076 -0.088 -5.270 1.00 52.03 H new ATOM 0 HA ASP A 147 -6.128 -2.076 -4.499 1.00 54.12 H new ATOM 0 HB2 ASP A 147 -6.802 -2.706 -7.216 1.00 23.14 H new ATOM 0 HB3 ASP A 147 -6.749 -3.742 -5.804 1.00 23.14 H new ATOM 2216 N LYS A 148 -5.673 0.505 -6.184 1.00 25.10 N ATOM 2217 CA LYS A 148 -4.646 1.305 -6.869 1.00 15.14 C ATOM 2218 C LYS A 148 -4.189 2.453 -5.987 1.00 13.23 C ATOM 2219 O LYS A 148 -4.970 2.973 -5.190 1.00 72.52 O ATOM 2220 CB LYS A 148 -5.176 1.810 -8.228 1.00 55.02 C ATOM 2221 CG LYS A 148 -4.401 1.245 -9.435 1.00 54.22 C ATOM 2222 CD LYS A 148 -3.635 2.366 -10.159 1.00 12.34 C ATOM 2223 CE LYS A 148 -2.241 1.972 -10.633 1.00 43.22 C ATOM 2224 NZ LYS A 148 -2.214 1.126 -11.842 1.00 22.14 N ATOM 0 H LYS A 148 -6.429 1.052 -5.771 1.00 25.10 H new ATOM 0 HA LYS A 148 -3.779 0.673 -7.064 1.00 15.14 H new ATOM 0 HB2 LYS A 148 -6.228 1.540 -8.322 1.00 55.02 H new ATOM 0 HB3 LYS A 148 -5.123 2.899 -8.249 1.00 55.02 H new ATOM 0 HG2 LYS A 148 -3.703 0.478 -9.099 1.00 54.22 H new ATOM 0 HG3 LYS A 148 -5.094 0.765 -10.126 1.00 54.22 H new ATOM 0 HD2 LYS A 148 -4.219 2.692 -11.019 1.00 12.34 H new ATOM 0 HD3 LYS A 148 -3.549 3.222 -9.490 1.00 12.34 H new ATOM 0 HE2 LYS A 148 -1.669 2.879 -10.829 1.00 43.22 H new ATOM 0 HE3 LYS A 148 -1.734 1.444 -9.826 1.00 43.22 H new ATOM 0 HZ1 LYS A 148 -1.827 0.191 -11.603 1.00 22.14 H new ATOM 0 HZ2 LYS A 148 -3.180 1.016 -12.211 1.00 22.14 H new ATOM 0 HZ3 LYS A 148 -1.616 1.574 -12.566 1.00 22.14 H new ATOM 2238 N ILE A 149 -2.948 2.888 -6.170 1.00 3.10 N ATOM 2239 CA ILE A 149 -2.271 3.947 -5.431 1.00 42.02 C ATOM 2240 C ILE A 149 -1.385 4.690 -6.423 1.00 15.30 C ATOM 2241 O ILE A 149 -0.900 4.061 -7.360 1.00 4.12 O ATOM 2242 CB ILE A 149 -1.451 3.289 -4.290 1.00 24.43 C ATOM 2243 CG1 ILE A 149 -2.392 2.853 -3.145 1.00 41.01 C ATOM 2244 CG2 ILE A 149 -0.260 4.125 -3.788 1.00 13.55 C ATOM 2245 CD1 ILE A 149 -2.610 1.339 -3.064 1.00 14.50 C ATOM 0 H ILE A 149 -2.347 2.482 -6.888 1.00 3.10 H new ATOM 0 HA ILE A 149 -2.963 4.657 -4.978 1.00 42.02 H new ATOM 0 HB ILE A 149 -0.981 2.404 -4.719 1.00 24.43 H new ATOM 0 HG12 ILE A 149 -1.982 3.202 -2.198 1.00 41.01 H new ATOM 0 HG13 ILE A 149 -3.357 3.343 -3.274 1.00 41.01 H new ATOM 0 HG21 ILE A 149 0.253 3.586 -2.992 1.00 13.55 H new ATOM 0 HG22 ILE A 149 0.432 4.302 -4.611 1.00 13.55 H new ATOM 0 HG23 ILE A 149 -0.621 5.080 -3.405 1.00 13.55 H new ATOM 0 HD11 ILE A 149 -3.281 1.112 -2.236 1.00 14.50 H new ATOM 0 HD12 ILE A 149 -3.050 0.984 -3.996 1.00 14.50 H new ATOM 0 HD13 ILE A 149 -1.654 0.842 -2.902 1.00 14.50 H new ATOM 2257 N THR A 150 -1.117 5.974 -6.170 1.00 72.45 N ATOM 2258 CA THR A 150 0.135 6.606 -6.578 1.00 3.43 C ATOM 2259 C THR A 150 0.668 7.454 -5.414 1.00 14.11 C ATOM 2260 O THR A 150 -0.016 7.678 -4.409 1.00 20.10 O ATOM 2261 CB THR A 150 0.001 7.405 -7.897 1.00 52.52 C ATOM 2262 OG1 THR A 150 -1.202 8.139 -7.962 1.00 0.03 O ATOM 2263 CG2 THR A 150 0.062 6.510 -9.139 1.00 53.02 C ATOM 0 H THR A 150 -1.758 6.598 -5.680 1.00 72.45 H new ATOM 0 HA THR A 150 0.865 5.829 -6.805 1.00 3.43 H new ATOM 0 HB THR A 150 0.853 8.085 -7.892 1.00 52.52 H new ATOM 0 HG1 THR A 150 -1.241 8.628 -8.810 1.00 0.03 H new ATOM 0 HG21 THR A 150 -0.037 7.123 -10.035 1.00 53.02 H new ATOM 0 HG22 THR A 150 1.017 5.985 -9.163 1.00 53.02 H new ATOM 0 HG23 THR A 150 -0.750 5.784 -9.105 1.00 53.02 H new ATOM 2271 N ILE A 151 1.907 7.924 -5.535 1.00 64.41 N ATOM 2272 CA ILE A 151 2.452 8.994 -4.717 1.00 41.13 C ATOM 2273 C ILE A 151 2.868 10.081 -5.708 1.00 55.24 C ATOM 2274 O ILE A 151 3.175 9.805 -6.873 1.00 62.14 O ATOM 2275 CB ILE A 151 3.578 8.471 -3.786 1.00 51.01 C ATOM 2276 CG1 ILE A 151 3.005 7.515 -2.708 1.00 52.33 C ATOM 2277 CG2 ILE A 151 4.312 9.612 -3.058 1.00 65.25 C ATOM 2278 CD1 ILE A 151 3.230 6.038 -3.029 1.00 13.30 C ATOM 0 H ILE A 151 2.570 7.561 -6.220 1.00 64.41 H new ATOM 0 HA ILE A 151 1.734 9.412 -4.012 1.00 41.13 H new ATOM 0 HB ILE A 151 4.281 7.946 -4.432 1.00 51.01 H new ATOM 0 HG12 ILE A 151 3.465 7.745 -1.747 1.00 52.33 H new ATOM 0 HG13 ILE A 151 1.936 7.698 -2.602 1.00 52.33 H new ATOM 0 HG21 ILE A 151 5.090 9.195 -2.419 1.00 65.25 H new ATOM 0 HG22 ILE A 151 4.764 10.280 -3.791 1.00 65.25 H new ATOM 0 HG23 ILE A 151 3.602 10.170 -2.448 1.00 65.25 H new ATOM 0 HD11 ILE A 151 2.805 5.424 -2.235 1.00 13.30 H new ATOM 0 HD12 ILE A 151 2.746 5.793 -3.975 1.00 13.30 H new ATOM 0 HD13 ILE A 151 4.299 5.841 -3.107 1.00 13.30 H new ATOM 2290 N ASP A 152 2.791 11.321 -5.247 1.00 73.23 N ATOM 2291 CA ASP A 152 3.119 12.543 -5.972 1.00 55.24 C ATOM 2292 C ASP A 152 4.542 12.517 -6.489 1.00 34.45 C ATOM 2293 O ASP A 152 4.754 12.858 -7.664 1.00 74.23 O ATOM 2294 CB ASP A 152 2.906 13.729 -5.041 1.00 12.34 C ATOM 2295 CG ASP A 152 3.265 15.069 -5.668 1.00 23.23 C ATOM 2296 OD1 ASP A 152 2.753 15.380 -6.762 1.00 34.44 O ATOM 2297 OD2 ASP A 152 3.815 15.932 -4.944 1.00 24.21 O ATOM 0 H ASP A 152 2.478 11.514 -4.296 1.00 73.23 H new ATOM 0 HA ASP A 152 2.467 12.629 -6.841 1.00 55.24 H new ATOM 0 HB2 ASP A 152 1.862 13.752 -4.728 1.00 12.34 H new ATOM 0 HB3 ASP A 152 3.505 13.586 -4.142 1.00 12.34 H new