USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1102 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: B 27 LYS NZ :NH3+ -179:sc= 2.19 (180deg=0.986) USER MOD Set 1.2: B 91 TYR OH : rot 25:sc= 1.43 USER MOD Set 2.1: B 45 GLN : amide:sc= -0.115 K(o=1.1,f=0.42) USER MOD Set 2.2: B 49 GLN : amide:sc= 1.21 K(o=1.1,f=-0.12) USER MOD Set 3.1: B 46 SER OG : rot -57:sc= 1.04 USER MOD Set 3.2: B 83 ASN : amide:sc= 0.705 K(o=1.7,f=-2) USER MOD Set 4.1: B 42 ASN : amide:sc= 0.629 K(o=2.4,f=1.1) USER MOD Set 4.2: B 44 SER OG : rot -71:sc= 1.79 USER MOD Set 5.1: B 37 LYS NZ :NH3+ 153:sc= 1.1 (180deg=0) USER MOD Set 5.2: B 40 THR OG1 : rot -120:sc= 0.949 USER MOD Set 6.1: B 26 SER OG : rot -76:sc= 1.21 USER MOD Set 6.2: B 28 GLN : amide:sc= -3.18! C(o=-2!,f=-1.1!) USER MOD Set 7.1: A 24 GLN : amide:sc= -1.74 K(o=-0.99,f=-5.5!) USER MOD Set 7.2: A 26 SER OG : rot 180:sc=-0.000774 USER MOD Set 7.3: B 24 GLN : amide:sc= 0.753 K(o=-0.99,f=-2.1!) USER MOD Set 7.4: B 72 TYR OH : rot 180:sc= 0 USER MOD Set 8.1: A 37 LYS NZ :NH3+ -164:sc= 1.89 (180deg=0.997) USER MOD Set 8.2: A 40 THR OG1 : rot -154:sc= 1.04 USER MOD Set 9.1: A 27 LYS NZ :NH3+ -132:sc= 0.0608 (180deg=-0.136) USER MOD Set 9.2: A 31 SER OG : rot 171:sc= 0.0347 USER MOD Single : A 28 GLN : amide:sc= 1.82 K(o=1.8,f=-4.3!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.166 K(o=-0.17,f=-4.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.02 K(o=-1,f=-4.4!) USER MOD Single : A 46 SER OG : rot 32:sc= 0.286 USER MOD Single : A 49 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.38) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 0.948 (180deg=0.862) USER MOD Single : A 61 SER OG : rot -81:sc= 1.18 USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= -0.0559 (180deg=-0.256) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.0806 (180deg=-0.36) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -0.613 K(o=-0.61,f=-6.7!) USER MOD Single : A 80 HIS : no HD1:sc=-0.00893 X(o=-0.0089,f=-0.0021) USER MOD Single : A 83 ASN : amide:sc= 0.657 K(o=0.66,f=-0.19) USER MOD Single : A 91 TYR OH : rot -7:sc= 0.957 USER MOD Single : A 92 ASN : amide:sc= 0.772 K(o=0.77,f=-4.1!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 HIS : no HD1:sc= 1.14 K(o=1.1,f=-4.7!) USER MOD Single : B 34 LYS NZ :NH3+ 170:sc= -0.0123 (180deg=-0.127) USER MOD Single : B 51 SER OG : rot -13:sc= 0.058 USER MOD Single : B 52 SER OG : rot -62:sc= 1.27 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -174:sc= 0.687 (180deg=0.653) USER MOD Single : B 61 SER OG : rot -108:sc= 1.3 USER MOD Single : B 67 LYS NZ :NH3+ 167:sc= -0.308 (180deg=-0.619) USER MOD Single : B 70 LYS NZ :NH3+ -166:sc=-0.00756 (180deg=-0.243) USER MOD Single : B 71 TYR OH : rot 180:sc= 0 USER MOD Single : B 73 HIS : no HE2:sc= 1.03 K(o=1,f=-5.9!) USER MOD Single : B 80 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.5!) USER MOD Single : B 92 ASN : amide:sc= 1.01 K(o=1,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -6.297 -4.766 -9.279 1.00 0.00 N ATOM 2 CA ALA A 22 -6.512 -4.268 -7.904 1.00 0.00 C ATOM 3 C ALA A 22 -5.173 -3.970 -7.247 1.00 0.00 C ATOM 4 O ALA A 22 -4.218 -4.731 -7.403 1.00 0.00 O ATOM 5 CB ALA A 22 -7.293 -5.287 -7.087 1.00 0.00 C ATOM 0 HA ALA A 22 -7.094 -3.347 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.443 -4.906 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.261 -5.464 -7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.735 -6.222 -7.042 1.00 0.00 H new ATOM 13 N GLU A 23 -5.099 -2.863 -6.521 1.00 0.00 N ATOM 14 CA GLU A 23 -3.849 -2.463 -5.888 1.00 0.00 C ATOM 15 C GLU A 23 -4.002 -2.252 -4.391 1.00 0.00 C ATOM 16 O GLU A 23 -5.114 -2.119 -3.872 1.00 0.00 O ATOM 17 CB GLU A 23 -3.296 -1.188 -6.524 1.00 0.00 C ATOM 18 CG GLU A 23 -2.117 -1.437 -7.448 1.00 0.00 C ATOM 19 CD GLU A 23 -0.987 -2.192 -6.769 1.00 0.00 C ATOM 20 OE1 GLU A 23 -0.800 -2.040 -5.540 1.00 0.00 O ATOM 21 OE2 GLU A 23 -0.280 -2.946 -7.464 1.00 0.00 O ATOM 0 H GLU A 23 -5.882 -2.230 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.149 -3.283 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.091 -0.697 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.991 -0.500 -5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.455 -2.002 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.741 -0.482 -7.815 1.00 0.00 H new ATOM 28 N GLN A 24 -2.864 -2.219 -3.715 1.00 0.00 N ATOM 29 CA GLN A 24 -2.807 -1.984 -2.283 1.00 0.00 C ATOM 30 C GLN A 24 -2.791 -0.485 -2.043 1.00 0.00 C ATOM 31 O GLN A 24 -1.912 0.216 -2.543 1.00 0.00 O ATOM 32 CB GLN A 24 -1.547 -2.649 -1.708 1.00 0.00 C ATOM 33 CG GLN A 24 -1.564 -2.876 -0.199 1.00 0.00 C ATOM 34 CD GLN A 24 -0.938 -1.746 0.605 1.00 0.00 C ATOM 35 OE1 GLN A 24 -0.995 -0.578 0.231 1.00 0.00 O ATOM 36 NE2 GLN A 24 -0.309 -2.098 1.716 1.00 0.00 N ATOM 0 H GLN A 24 -1.950 -2.355 -4.148 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.676 -2.415 -1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.405 -3.610 -2.202 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.684 -2.032 -1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.596 -3.011 0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.036 -3.803 0.024 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.281 -3.078 1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.147 -1.389 2.290 1.00 0.00 H new ATOM 45 N VAL A 25 -3.775 0.010 -1.313 1.00 0.00 N ATOM 46 CA VAL A 25 -3.890 1.440 -1.078 1.00 0.00 C ATOM 47 C VAL A 25 -3.825 1.771 0.407 1.00 0.00 C ATOM 48 O VAL A 25 -4.267 0.990 1.252 1.00 0.00 O ATOM 49 CB VAL A 25 -5.198 2.014 -1.670 1.00 0.00 C ATOM 50 CG1 VAL A 25 -5.209 1.878 -3.184 1.00 0.00 C ATOM 51 CG2 VAL A 25 -6.417 1.331 -1.064 1.00 0.00 C ATOM 0 H VAL A 25 -4.503 -0.553 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.042 1.903 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.243 3.074 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.138 2.288 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.364 2.423 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.133 0.825 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.324 1.753 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.378 0.262 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.423 1.488 0.015 1.00 0.00 H new ATOM 61 N SER A 26 -3.261 2.927 0.714 1.00 0.00 N ATOM 62 CA SER A 26 -3.229 3.430 2.072 1.00 0.00 C ATOM 63 C SER A 26 -4.502 4.223 2.337 1.00 0.00 C ATOM 64 O SER A 26 -5.134 4.718 1.399 1.00 0.00 O ATOM 65 CB SER A 26 -1.993 4.309 2.279 1.00 0.00 C ATOM 66 OG SER A 26 -0.807 3.609 1.939 1.00 0.00 O ATOM 0 H SER A 26 -2.815 3.539 0.031 1.00 0.00 H new ATOM 0 HA SER A 26 -3.173 2.597 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.076 5.208 1.669 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.943 4.633 3.319 1.00 0.00 H new ATOM 0 HG SER A 26 -0.032 4.192 2.078 1.00 0.00 H new ATOM 72 N LYS A 27 -4.885 4.363 3.597 1.00 0.00 N ATOM 73 CA LYS A 27 -6.143 5.018 3.912 1.00 0.00 C ATOM 74 C LYS A 27 -6.023 6.520 3.693 1.00 0.00 C ATOM 75 O LYS A 27 -7.023 7.212 3.525 1.00 0.00 O ATOM 76 CB LYS A 27 -6.591 4.719 5.342 1.00 0.00 C ATOM 77 CG LYS A 27 -8.085 4.919 5.536 1.00 0.00 C ATOM 78 CD LYS A 27 -8.519 4.650 6.964 1.00 0.00 C ATOM 79 CE LYS A 27 -10.034 4.617 7.076 1.00 0.00 C ATOM 80 NZ LYS A 27 -10.662 5.876 6.587 1.00 0.00 N ATOM 0 H LYS A 27 -4.353 4.038 4.404 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.904 4.621 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.329 3.691 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.048 5.365 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.351 5.940 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.629 4.257 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.105 3.699 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.119 5.422 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.421 3.774 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.316 4.452 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.358 6.210 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.929 6.602 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.138 5.697 5.680 1.00 0.00 H new ATOM 94 N GLN A 28 -4.788 7.015 3.675 1.00 0.00 N ATOM 95 CA GLN A 28 -4.532 8.414 3.351 1.00 0.00 C ATOM 96 C GLN A 28 -5.029 8.714 1.940 1.00 0.00 C ATOM 97 O GLN A 28 -5.576 9.785 1.673 1.00 0.00 O ATOM 98 CB GLN A 28 -3.040 8.734 3.460 1.00 0.00 C ATOM 99 CG GLN A 28 -2.443 8.387 4.812 1.00 0.00 C ATOM 100 CD GLN A 28 -0.992 8.805 4.941 1.00 0.00 C ATOM 101 OE1 GLN A 28 -0.258 8.873 3.956 1.00 0.00 O ATOM 102 NE2 GLN A 28 -0.566 9.079 6.163 1.00 0.00 N ATOM 0 H GLN A 28 -3.951 6.469 3.881 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.068 9.040 4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.502 8.190 2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.889 9.796 3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.026 8.870 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.522 7.312 4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.207 9.011 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.403 9.359 6.315 1.00 0.00 H new ATOM 111 N GLU A 29 -4.857 7.741 1.050 1.00 0.00 N ATOM 112 CA GLU A 29 -5.339 7.855 -0.316 1.00 0.00 C ATOM 113 C GLU A 29 -6.862 7.773 -0.326 1.00 0.00 C ATOM 114 O GLU A 29 -7.542 8.610 -0.919 1.00 0.00 O ATOM 115 CB GLU A 29 -4.743 6.733 -1.176 1.00 0.00 C ATOM 116 CG GLU A 29 -3.222 6.736 -1.228 1.00 0.00 C ATOM 117 CD GLU A 29 -2.654 5.480 -1.863 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.607 5.402 -3.110 1.00 0.00 O ATOM 119 OE2 GLU A 29 -2.257 4.557 -1.117 1.00 0.00 O ATOM 0 H GLU A 29 -4.384 6.861 1.256 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.030 8.815 -0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.081 5.772 -0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.131 6.821 -2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.884 7.607 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.828 6.836 -0.217 1.00 0.00 H new ATOM 126 N ILE A 30 -7.380 6.773 0.376 1.00 0.00 N ATOM 127 CA ILE A 30 -8.816 6.528 0.455 1.00 0.00 C ATOM 128 C ILE A 30 -9.576 7.738 0.996 1.00 0.00 C ATOM 129 O ILE A 30 -10.541 8.201 0.388 1.00 0.00 O ATOM 130 CB ILE A 30 -9.114 5.314 1.360 1.00 0.00 C ATOM 131 CG1 ILE A 30 -8.470 4.050 0.790 1.00 0.00 C ATOM 132 CG2 ILE A 30 -10.615 5.128 1.526 1.00 0.00 C ATOM 133 CD1 ILE A 30 -8.660 2.827 1.660 1.00 0.00 C ATOM 0 H ILE A 30 -6.817 6.108 0.907 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.153 6.329 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.683 5.502 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.889 3.852 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.403 4.226 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.806 4.267 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.044 6.021 1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.071 4.962 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.177 1.969 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.216 3.005 2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.725 2.625 1.776 1.00 0.00 H new ATOM 145 N SER A 31 -9.131 8.243 2.137 1.00 0.00 N ATOM 146 CA SER A 31 -9.847 9.293 2.844 1.00 0.00 C ATOM 147 C SER A 31 -9.731 10.649 2.144 1.00 0.00 C ATOM 148 O SER A 31 -10.594 11.510 2.317 1.00 0.00 O ATOM 149 CB SER A 31 -9.334 9.395 4.282 1.00 0.00 C ATOM 150 OG SER A 31 -9.434 8.146 4.955 1.00 0.00 O ATOM 0 H SER A 31 -8.272 7.940 2.595 1.00 0.00 H new ATOM 0 HA SER A 31 -10.903 9.023 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.296 9.726 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.907 10.149 4.822 1.00 0.00 H new ATOM 0 HG SER A 31 -8.969 8.200 5.816 1.00 0.00 H new ATOM 156 N HIS A 32 -8.680 10.844 1.352 1.00 0.00 N ATOM 157 CA HIS A 32 -8.467 12.136 0.704 1.00 0.00 C ATOM 158 C HIS A 32 -9.089 12.175 -0.691 1.00 0.00 C ATOM 159 O HIS A 32 -9.555 13.223 -1.132 1.00 0.00 O ATOM 160 CB HIS A 32 -6.972 12.476 0.621 1.00 0.00 C ATOM 161 CG HIS A 32 -6.703 13.892 0.195 1.00 0.00 C ATOM 162 ND1 HIS A 32 -5.834 14.228 -0.824 1.00 0.00 N ATOM 163 CD2 HIS A 32 -7.195 15.062 0.666 1.00 0.00 C ATOM 164 CE1 HIS A 32 -5.805 15.544 -0.957 1.00 0.00 C ATOM 165 NE2 HIS A 32 -6.621 16.071 -0.065 1.00 0.00 N ATOM 0 H HIS A 32 -7.973 10.138 1.145 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.962 12.886 1.320 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.514 12.304 1.595 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.491 11.796 -0.082 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.908 15.179 1.469 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.213 16.093 -1.674 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.797 17.068 0.061 1.00 0.00 H new ATOM 174 N PHE A 33 -9.092 11.042 -1.384 1.00 0.00 N ATOM 175 CA PHE A 33 -9.661 10.985 -2.729 1.00 0.00 C ATOM 176 C PHE A 33 -11.120 10.541 -2.690 1.00 0.00 C ATOM 177 O PHE A 33 -11.819 10.604 -3.702 1.00 0.00 O ATOM 178 CB PHE A 33 -8.847 10.050 -3.630 1.00 0.00 C ATOM 179 CG PHE A 33 -7.484 10.583 -3.980 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.337 11.549 -4.965 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.353 10.119 -3.330 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.087 12.040 -5.291 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.101 10.606 -3.651 1.00 0.00 C ATOM 184 CZ PHE A 33 -4.967 11.567 -4.634 1.00 0.00 C ATOM 0 H PHE A 33 -8.712 10.159 -1.043 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.619 11.991 -3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.734 9.087 -3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.404 9.870 -4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.209 11.921 -5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.451 9.366 -2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.985 12.793 -6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.228 10.236 -3.134 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.989 11.948 -4.889 1.00 0.00 H new ATOM 194 N LYS A 34 -11.563 10.102 -1.511 1.00 0.00 N ATOM 195 CA LYS A 34 -12.937 9.654 -1.294 1.00 0.00 C ATOM 196 C LYS A 34 -13.264 8.404 -2.100 1.00 0.00 C ATOM 197 O LYS A 34 -13.855 8.476 -3.178 1.00 0.00 O ATOM 198 CB LYS A 34 -13.946 10.765 -1.602 1.00 0.00 C ATOM 199 CG LYS A 34 -14.127 11.754 -0.464 1.00 0.00 C ATOM 200 CD LYS A 34 -14.581 11.041 0.798 1.00 0.00 C ATOM 201 CE LYS A 34 -14.925 12.016 1.906 1.00 0.00 C ATOM 202 NZ LYS A 34 -15.283 11.313 3.165 1.00 0.00 N ATOM 0 H LYS A 34 -10.977 10.047 -0.678 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.017 9.400 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.620 11.304 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.910 10.314 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.189 12.275 -0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.861 12.510 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.452 10.425 0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.794 10.368 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.077 12.676 2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.757 12.646 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.512 12.012 3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.108 10.702 2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.480 10.732 3.479 1.00 0.00 H new ATOM 216 N LEU A 35 -12.859 7.259 -1.571 1.00 0.00 N ATOM 217 CA LEU A 35 -13.179 5.980 -2.184 1.00 0.00 C ATOM 218 C LEU A 35 -14.346 5.328 -1.451 1.00 0.00 C ATOM 219 O LEU A 35 -14.610 5.640 -0.289 1.00 0.00 O ATOM 220 CB LEU A 35 -11.954 5.060 -2.177 1.00 0.00 C ATOM 221 CG LEU A 35 -10.757 5.576 -2.981 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.572 4.631 -2.850 1.00 0.00 C ATOM 223 CD2 LEU A 35 -11.136 5.760 -4.444 1.00 0.00 C ATOM 0 H LEU A 35 -12.307 7.190 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.470 6.150 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.640 4.904 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.246 4.087 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.466 6.545 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.733 5.017 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.284 4.552 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.849 3.646 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.273 6.127 -5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.456 4.805 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.951 6.480 -4.521 1.00 0.00 H new ATOM 235 N VAL A 36 -15.037 4.425 -2.128 1.00 0.00 N ATOM 236 CA VAL A 36 -16.249 3.825 -1.587 1.00 0.00 C ATOM 237 C VAL A 36 -15.979 2.427 -1.037 1.00 0.00 C ATOM 238 O VAL A 36 -15.487 1.552 -1.747 1.00 0.00 O ATOM 239 CB VAL A 36 -17.354 3.777 -2.666 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.539 2.935 -2.224 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.810 5.185 -2.999 1.00 0.00 C ATOM 0 H VAL A 36 -14.779 4.090 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.591 4.448 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.932 3.309 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.293 2.927 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.208 1.915 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.967 3.358 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.589 5.145 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.204 5.662 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.965 5.762 -3.375 1.00 0.00 H new ATOM 251 N LYS A 37 -16.298 2.232 0.235 1.00 0.00 N ATOM 252 CA LYS A 37 -16.059 0.961 0.901 1.00 0.00 C ATOM 253 C LYS A 37 -17.143 -0.050 0.546 1.00 0.00 C ATOM 254 O LYS A 37 -18.318 0.150 0.853 1.00 0.00 O ATOM 255 CB LYS A 37 -16.003 1.156 2.419 1.00 0.00 C ATOM 256 CG LYS A 37 -15.663 -0.111 3.190 1.00 0.00 C ATOM 257 CD LYS A 37 -15.595 0.151 4.687 1.00 0.00 C ATOM 258 CE LYS A 37 -15.257 -1.111 5.467 1.00 0.00 C ATOM 259 NZ LYS A 37 -13.914 -1.645 5.115 1.00 0.00 N ATOM 0 H LYS A 37 -16.725 2.943 0.829 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.099 0.575 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.261 1.921 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.967 1.532 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.414 -0.875 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.707 -0.504 2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.844 0.915 4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.551 0.546 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.293 -0.897 6.535 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.012 -1.872 5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.832 -2.626 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.790 -1.620 4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.180 -1.063 5.566 1.00 0.00 H new ATOM 273 N VAL A 38 -16.740 -1.128 -0.106 1.00 0.00 N ATOM 274 CA VAL A 38 -17.660 -2.201 -0.446 1.00 0.00 C ATOM 275 C VAL A 38 -17.742 -3.199 0.702 1.00 0.00 C ATOM 276 O VAL A 38 -18.828 -3.629 1.098 1.00 0.00 O ATOM 277 CB VAL A 38 -17.221 -2.936 -1.733 1.00 0.00 C ATOM 278 CG1 VAL A 38 -18.219 -4.023 -2.108 1.00 0.00 C ATOM 279 CG2 VAL A 38 -17.044 -1.951 -2.877 1.00 0.00 C ATOM 0 H VAL A 38 -15.779 -1.284 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.639 -1.756 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 38 -16.261 -3.414 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.886 -4.524 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.288 -4.749 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.198 -3.575 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.735 -2.487 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.988 -1.440 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.282 -1.218 -2.612 1.00 0.00 H new ATOM 289 N GLY A 39 -16.589 -3.548 1.254 1.00 0.00 N ATOM 290 CA GLY A 39 -16.551 -4.518 2.325 1.00 0.00 C ATOM 291 C GLY A 39 -15.179 -4.639 2.950 1.00 0.00 C ATOM 292 O GLY A 39 -14.338 -3.743 2.810 1.00 0.00 O ATOM 0 H GLY A 39 -15.680 -3.176 0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.272 -4.236 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.859 -5.491 1.941 1.00 0.00 H new ATOM 296 N THR A 40 -14.960 -5.746 3.635 1.00 0.00 N ATOM 297 CA THR A 40 -13.688 -6.041 4.270 1.00 0.00 C ATOM 298 C THR A 40 -13.364 -7.523 4.082 1.00 0.00 C ATOM 299 O THR A 40 -14.239 -8.375 4.240 1.00 0.00 O ATOM 300 CB THR A 40 -13.726 -5.699 5.779 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.082 -4.318 5.967 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.382 -5.965 6.445 1.00 0.00 C ATOM 0 H THR A 40 -15.665 -6.471 3.768 1.00 0.00 H new ATOM 0 HA THR A 40 -12.915 -5.429 3.805 1.00 0.00 H new ATOM 0 HB THR A 40 -14.476 -6.341 6.242 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.719 -4.000 6.820 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.445 -5.714 7.504 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.124 -7.019 6.336 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.614 -5.353 5.972 1.00 0.00 H new ATOM 310 N ILE A 41 -12.127 -7.828 3.722 1.00 0.00 N ATOM 311 CA ILE A 41 -11.721 -9.204 3.480 1.00 0.00 C ATOM 312 C ILE A 41 -10.706 -9.667 4.511 1.00 0.00 C ATOM 313 O ILE A 41 -9.868 -8.893 4.973 1.00 0.00 O ATOM 314 CB ILE A 41 -11.119 -9.399 2.071 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.057 -8.332 1.784 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.214 -9.383 1.018 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.348 -8.515 0.460 1.00 0.00 C ATOM 0 H ILE A 41 -11.386 -7.140 3.591 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.628 -9.803 3.558 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.631 -10.373 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.529 -7.350 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.318 -8.343 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.772 -9.522 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -12.921 -10.189 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.736 -8.427 1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.612 -7.722 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.846 -9.482 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.075 -8.473 -0.351 1.00 0.00 H new ATOM 329 N ASN A 42 -10.796 -10.931 4.875 1.00 0.00 N ATOM 330 CA ASN A 42 -9.831 -11.535 5.768 1.00 0.00 C ATOM 331 C ASN A 42 -9.255 -12.787 5.127 1.00 0.00 C ATOM 332 O ASN A 42 -9.986 -13.705 4.756 1.00 0.00 O ATOM 333 CB ASN A 42 -10.458 -11.871 7.133 1.00 0.00 C ATOM 334 CG ASN A 42 -11.600 -12.874 7.048 1.00 0.00 C ATOM 335 OD1 ASN A 42 -12.387 -12.874 6.098 1.00 0.00 O ATOM 336 ND2 ASN A 42 -11.695 -13.742 8.039 1.00 0.00 N ATOM 0 H ASN A 42 -11.534 -11.562 4.563 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.031 -10.816 5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.685 -12.268 7.791 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.825 -10.953 7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.437 -14.442 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.026 -13.713 8.809 1.00 0.00 H new ATOM 343 N VAL A 43 -7.949 -12.809 4.968 1.00 0.00 N ATOM 344 CA VAL A 43 -7.287 -13.961 4.393 1.00 0.00 C ATOM 345 C VAL A 43 -6.656 -14.783 5.502 1.00 0.00 C ATOM 346 O VAL A 43 -5.604 -14.426 6.028 1.00 0.00 O ATOM 347 CB VAL A 43 -6.196 -13.550 3.379 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.613 -14.774 2.691 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.750 -12.569 2.356 1.00 0.00 C ATOM 0 H VAL A 43 -7.326 -12.045 5.228 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.036 -14.547 3.861 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.395 -13.052 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.847 -14.462 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.170 -15.434 3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.404 -15.305 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.964 -12.294 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.574 -13.034 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.109 -11.675 2.866 1.00 0.00 H new ATOM 359 N SER A 44 -7.322 -15.860 5.871 1.00 0.00 N ATOM 360 CA SER A 44 -6.810 -16.758 6.887 1.00 0.00 C ATOM 361 C SER A 44 -6.216 -17.995 6.233 1.00 0.00 C ATOM 362 O SER A 44 -6.940 -18.873 5.752 1.00 0.00 O ATOM 363 CB SER A 44 -7.917 -17.145 7.868 1.00 0.00 C ATOM 364 OG SER A 44 -8.366 -16.016 8.599 1.00 0.00 O ATOM 0 H SER A 44 -8.223 -16.135 5.480 1.00 0.00 H new ATOM 0 HA SER A 44 -6.026 -16.247 7.446 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.752 -17.586 7.324 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.548 -17.905 8.557 1.00 0.00 H new ATOM 0 HG SER A 44 -9.075 -16.288 9.219 1.00 0.00 H new ATOM 370 N GLN A 45 -4.898 -18.044 6.195 1.00 0.00 N ATOM 371 CA GLN A 45 -4.197 -19.145 5.563 1.00 0.00 C ATOM 372 C GLN A 45 -3.365 -19.903 6.582 1.00 0.00 C ATOM 373 O GLN A 45 -2.438 -19.355 7.174 1.00 0.00 O ATOM 374 CB GLN A 45 -3.309 -18.635 4.427 1.00 0.00 C ATOM 375 CG GLN A 45 -4.090 -18.043 3.263 1.00 0.00 C ATOM 376 CD GLN A 45 -5.092 -19.022 2.681 1.00 0.00 C ATOM 377 OE1 GLN A 45 -4.894 -20.234 2.730 1.00 0.00 O ATOM 378 NE2 GLN A 45 -6.175 -18.505 2.123 1.00 0.00 N ATOM 0 H GLN A 45 -4.289 -17.331 6.596 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.938 -19.826 5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.629 -17.879 4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.694 -19.457 4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.614 -17.148 3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.395 -17.732 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.304 -17.493 2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.880 -19.118 1.714 1.00 0.00 H new ATOM 387 N SER A 46 -3.702 -21.162 6.789 1.00 0.00 N ATOM 388 CA SER A 46 -3.001 -21.980 7.755 1.00 0.00 C ATOM 389 C SER A 46 -1.786 -22.652 7.117 1.00 0.00 C ATOM 390 O SER A 46 -1.920 -23.560 6.294 1.00 0.00 O ATOM 391 CB SER A 46 -3.952 -23.020 8.350 1.00 0.00 C ATOM 392 OG SER A 46 -4.588 -23.782 7.338 1.00 0.00 O ATOM 0 H SER A 46 -4.459 -21.639 6.299 1.00 0.00 H new ATOM 0 HA SER A 46 -2.641 -21.339 8.560 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.398 -23.684 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.706 -22.520 8.958 1.00 0.00 H new ATOM 0 HG SER A 46 -3.985 -23.876 6.571 1.00 0.00 H new ATOM 398 N GLY A 47 -0.607 -22.175 7.479 1.00 0.00 N ATOM 399 CA GLY A 47 0.617 -22.778 7.005 1.00 0.00 C ATOM 400 C GLY A 47 1.193 -22.082 5.792 1.00 0.00 C ATOM 401 O GLY A 47 0.953 -20.891 5.576 1.00 0.00 O ATOM 0 H GLY A 47 -0.476 -21.375 8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.355 -22.766 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.429 -23.823 6.761 1.00 0.00 H new ATOM 405 N GLY A 48 1.936 -22.834 4.987 1.00 0.00 N ATOM 406 CA GLY A 48 2.660 -22.262 3.866 1.00 0.00 C ATOM 407 C GLY A 48 1.791 -21.997 2.650 1.00 0.00 C ATOM 408 O GLY A 48 2.088 -22.467 1.552 1.00 0.00 O ATOM 0 H GLY A 48 2.050 -23.842 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.122 -21.327 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.468 -22.937 3.584 1.00 0.00 H new ATOM 412 N GLN A 49 0.718 -21.246 2.842 1.00 0.00 N ATOM 413 CA GLN A 49 -0.104 -20.799 1.729 1.00 0.00 C ATOM 414 C GLN A 49 0.411 -19.459 1.231 1.00 0.00 C ATOM 415 O GLN A 49 0.472 -19.206 0.027 1.00 0.00 O ATOM 416 CB GLN A 49 -1.572 -20.679 2.141 1.00 0.00 C ATOM 417 CG GLN A 49 -2.234 -22.011 2.448 1.00 0.00 C ATOM 418 CD GLN A 49 -2.175 -22.970 1.276 1.00 0.00 C ATOM 419 OE1 GLN A 49 -1.243 -23.766 1.155 1.00 0.00 O ATOM 420 NE2 GLN A 49 -3.153 -22.889 0.388 1.00 0.00 N ATOM 0 H GLN A 49 0.396 -20.933 3.758 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.041 -21.537 0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.642 -20.038 3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.125 -20.185 1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.747 -22.465 3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.275 -21.841 2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.909 -22.217 0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.151 -23.498 -0.430 1.00 0.00 H new ATOM 429 N ILE A 50 0.796 -18.614 2.174 1.00 0.00 N ATOM 430 CA ILE A 50 1.388 -17.325 1.863 1.00 0.00 C ATOM 431 C ILE A 50 2.764 -17.231 2.500 1.00 0.00 C ATOM 432 O ILE A 50 2.903 -17.378 3.714 1.00 0.00 O ATOM 433 CB ILE A 50 0.507 -16.156 2.358 1.00 0.00 C ATOM 434 CG1 ILE A 50 -0.808 -16.118 1.575 1.00 0.00 C ATOM 435 CG2 ILE A 50 1.245 -14.827 2.238 1.00 0.00 C ATOM 436 CD1 ILE A 50 -1.697 -14.951 1.939 1.00 0.00 C ATOM 0 H ILE A 50 0.707 -18.802 3.173 1.00 0.00 H new ATOM 0 HA ILE A 50 1.470 -17.246 0.779 1.00 0.00 H new ATOM 0 HB ILE A 50 0.281 -16.318 3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.585 -16.075 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.352 -17.046 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.603 -14.021 2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.153 -14.859 2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.507 -14.649 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.610 -14.990 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.951 -15.003 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.172 -14.017 1.738 1.00 0.00 H new ATOM 448 N SER A 51 3.773 -17.002 1.681 1.00 0.00 N ATOM 449 CA SER A 51 5.139 -16.920 2.169 1.00 0.00 C ATOM 450 C SER A 51 5.747 -15.568 1.819 1.00 0.00 C ATOM 451 O SER A 51 6.376 -14.918 2.655 1.00 0.00 O ATOM 452 CB SER A 51 5.978 -18.049 1.568 1.00 0.00 C ATOM 453 OG SER A 51 5.348 -19.308 1.764 1.00 0.00 O ATOM 0 H SER A 51 3.674 -16.869 0.675 1.00 0.00 H new ATOM 0 HA SER A 51 5.131 -17.025 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.123 -17.872 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.967 -18.057 2.027 1.00 0.00 H new ATOM 0 HG SER A 51 5.901 -20.015 1.371 1.00 0.00 H new ATOM 459 N SER A 52 5.539 -15.144 0.583 1.00 0.00 N ATOM 460 CA SER A 52 6.072 -13.881 0.108 1.00 0.00 C ATOM 461 C SER A 52 4.965 -12.833 0.039 1.00 0.00 C ATOM 462 O SER A 52 3.780 -13.177 0.034 1.00 0.00 O ATOM 463 CB SER A 52 6.698 -14.072 -1.276 1.00 0.00 C ATOM 464 OG SER A 52 7.659 -15.113 -1.269 1.00 0.00 O ATOM 0 H SER A 52 5.001 -15.661 -0.112 1.00 0.00 H new ATOM 0 HA SER A 52 6.837 -13.536 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.917 -14.300 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.169 -13.142 -1.596 1.00 0.00 H new ATOM 0 HG SER A 52 8.040 -15.213 -2.166 1.00 0.00 H new ATOM 470 N PRO A 53 5.328 -11.537 -0.011 1.00 0.00 N ATOM 471 CA PRO A 53 4.359 -10.454 -0.209 1.00 0.00 C ATOM 472 C PRO A 53 3.565 -10.654 -1.497 1.00 0.00 C ATOM 473 O PRO A 53 2.428 -10.200 -1.619 1.00 0.00 O ATOM 474 CB PRO A 53 5.222 -9.188 -0.296 1.00 0.00 C ATOM 475 CG PRO A 53 6.618 -9.671 -0.514 1.00 0.00 C ATOM 476 CD PRO A 53 6.696 -11.020 0.141 1.00 0.00 C ATOM 0 HA PRO A 53 3.623 -10.407 0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.896 -8.547 -1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.149 -8.599 0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.845 -9.740 -1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.342 -8.983 -0.077 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.428 -11.664 -0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.985 -10.944 1.189 1.00 0.00 H new ATOM 484 N SER A 54 4.181 -11.352 -2.446 1.00 0.00 N ATOM 485 CA SER A 54 3.534 -11.712 -3.696 1.00 0.00 C ATOM 486 C SER A 54 2.272 -12.530 -3.423 1.00 0.00 C ATOM 487 O SER A 54 1.192 -12.197 -3.904 1.00 0.00 O ATOM 488 CB SER A 54 4.511 -12.516 -4.555 1.00 0.00 C ATOM 489 OG SER A 54 5.819 -11.966 -4.479 1.00 0.00 O ATOM 0 H SER A 54 5.143 -11.682 -2.367 1.00 0.00 H new ATOM 0 HA SER A 54 3.246 -10.805 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.528 -13.553 -4.221 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.173 -12.520 -5.591 1.00 0.00 H new ATOM 0 HG SER A 54 6.429 -12.495 -5.034 1.00 0.00 H new ATOM 495 N ASP A 55 2.415 -13.580 -2.611 1.00 0.00 N ATOM 496 CA ASP A 55 1.290 -14.449 -2.260 1.00 0.00 C ATOM 497 C ASP A 55 0.244 -13.656 -1.497 1.00 0.00 C ATOM 498 O ASP A 55 -0.961 -13.837 -1.687 1.00 0.00 O ATOM 499 CB ASP A 55 1.741 -15.624 -1.384 1.00 0.00 C ATOM 500 CG ASP A 55 2.917 -16.386 -1.949 1.00 0.00 C ATOM 501 OD1 ASP A 55 2.853 -16.815 -3.117 1.00 0.00 O ATOM 502 OD2 ASP A 55 3.918 -16.557 -1.220 1.00 0.00 O ATOM 0 H ASP A 55 3.301 -13.849 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 55 0.874 -14.838 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.004 -15.249 -0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.904 -16.310 -1.252 1.00 0.00 H new ATOM 507 N LEU A 56 0.727 -12.781 -0.626 1.00 0.00 N ATOM 508 CA LEU A 56 -0.134 -11.926 0.177 1.00 0.00 C ATOM 509 C LEU A 56 -0.994 -11.040 -0.717 1.00 0.00 C ATOM 510 O LEU A 56 -2.222 -11.122 -0.692 1.00 0.00 O ATOM 511 CB LEU A 56 0.721 -11.069 1.115 1.00 0.00 C ATOM 512 CG LEU A 56 -0.051 -10.109 2.019 1.00 0.00 C ATOM 513 CD1 LEU A 56 -1.022 -10.871 2.901 1.00 0.00 C ATOM 514 CD2 LEU A 56 0.911 -9.293 2.867 1.00 0.00 C ATOM 0 H LEU A 56 1.724 -12.644 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.798 -12.553 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.316 -11.732 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.420 -10.489 0.512 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.623 -9.427 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.562 -10.170 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.731 -11.415 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.471 -11.576 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.347 -8.614 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.507 -9.962 3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.570 -8.717 2.217 1.00 0.00 H new ATOM 526 N ARG A 57 -0.339 -10.218 -1.528 1.00 0.00 N ATOM 527 CA ARG A 57 -1.034 -9.311 -2.432 1.00 0.00 C ATOM 528 C ARG A 57 -1.900 -10.075 -3.430 1.00 0.00 C ATOM 529 O ARG A 57 -2.951 -9.585 -3.848 1.00 0.00 O ATOM 530 CB ARG A 57 -0.029 -8.421 -3.165 1.00 0.00 C ATOM 531 CG ARG A 57 0.439 -7.227 -2.341 1.00 0.00 C ATOM 532 CD ARG A 57 1.556 -6.460 -3.035 1.00 0.00 C ATOM 533 NE ARG A 57 1.298 -6.280 -4.463 1.00 0.00 N ATOM 534 CZ ARG A 57 0.834 -5.158 -5.018 1.00 0.00 C ATOM 535 NH1 ARG A 57 0.580 -4.087 -4.272 1.00 0.00 N ATOM 536 NH2 ARG A 57 0.636 -5.109 -6.326 1.00 0.00 N ATOM 0 H ARG A 57 0.678 -10.161 -1.578 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.694 -8.681 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.837 -9.020 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.481 -8.060 -4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.403 -6.558 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.786 -7.572 -1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.672 -5.485 -2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.497 -6.993 -2.902 1.00 0.00 H new ATOM 0 HE ARG A 57 1.486 -7.070 -5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.739 -4.117 -3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.226 -3.235 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.838 -5.925 -6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.282 -4.255 -6.757 1.00 0.00 H new ATOM 550 N GLU A 58 -1.462 -11.272 -3.801 1.00 0.00 N ATOM 551 CA GLU A 58 -2.227 -12.132 -4.696 1.00 0.00 C ATOM 552 C GLU A 58 -3.576 -12.494 -4.078 1.00 0.00 C ATOM 553 O GLU A 58 -4.624 -12.249 -4.673 1.00 0.00 O ATOM 554 CB GLU A 58 -1.436 -13.404 -5.011 1.00 0.00 C ATOM 555 CG GLU A 58 -2.179 -14.388 -5.896 1.00 0.00 C ATOM 556 CD GLU A 58 -1.343 -15.603 -6.232 1.00 0.00 C ATOM 557 OE1 GLU A 58 -1.355 -16.581 -5.448 1.00 0.00 O ATOM 558 OE2 GLU A 58 -0.669 -15.588 -7.282 1.00 0.00 O ATOM 0 H GLU A 58 -0.575 -11.671 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.407 -11.587 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.501 -13.127 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.174 -13.898 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.093 -14.706 -5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.478 -13.890 -6.818 1.00 0.00 H new ATOM 565 N LYS A 59 -3.542 -13.067 -2.881 1.00 0.00 N ATOM 566 CA LYS A 59 -4.755 -13.469 -2.184 1.00 0.00 C ATOM 567 C LYS A 59 -5.640 -12.271 -1.862 1.00 0.00 C ATOM 568 O LYS A 59 -6.868 -12.363 -1.914 1.00 0.00 O ATOM 569 CB LYS A 59 -4.385 -14.216 -0.904 1.00 0.00 C ATOM 570 CG LYS A 59 -5.015 -15.594 -0.805 1.00 0.00 C ATOM 571 CD LYS A 59 -4.842 -16.375 -2.096 1.00 0.00 C ATOM 572 CE LYS A 59 -5.299 -17.808 -1.940 1.00 0.00 C ATOM 573 NZ LYS A 59 -5.631 -18.422 -3.250 1.00 0.00 N ATOM 0 H LYS A 59 -2.681 -13.264 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.324 -14.128 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.301 -14.316 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.693 -13.622 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.562 -16.145 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.076 -15.495 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.411 -15.895 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.794 -16.356 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.516 -18.389 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.173 -17.843 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.809 -19.439 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.481 -17.968 -3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.835 -18.290 -3.907 1.00 0.00 H new ATOM 587 N LEU A 60 -5.015 -11.149 -1.539 1.00 0.00 N ATOM 588 CA LEU A 60 -5.750 -9.929 -1.243 1.00 0.00 C ATOM 589 C LEU A 60 -6.517 -9.444 -2.466 1.00 0.00 C ATOM 590 O LEU A 60 -7.716 -9.186 -2.389 1.00 0.00 O ATOM 591 CB LEU A 60 -4.798 -8.843 -0.750 1.00 0.00 C ATOM 592 CG LEU A 60 -4.118 -9.142 0.584 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.051 -8.107 0.874 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.142 -9.180 1.708 1.00 0.00 C ATOM 0 H LEU A 60 -4.001 -11.058 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.471 -10.150 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.029 -8.684 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.352 -7.909 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.643 -10.121 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.575 -8.333 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.303 -8.124 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.507 -7.118 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.639 -9.394 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.644 -8.215 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.878 -9.958 1.504 1.00 0.00 H new ATOM 606 N SER A 61 -5.832 -9.343 -3.599 1.00 0.00 N ATOM 607 CA SER A 61 -6.474 -8.896 -4.827 1.00 0.00 C ATOM 608 C SER A 61 -7.492 -9.929 -5.306 1.00 0.00 C ATOM 609 O SER A 61 -8.509 -9.575 -5.898 1.00 0.00 O ATOM 610 CB SER A 61 -5.429 -8.612 -5.913 1.00 0.00 C ATOM 611 OG SER A 61 -4.522 -9.691 -6.051 1.00 0.00 O ATOM 0 H SER A 61 -4.840 -9.563 -3.692 1.00 0.00 H new ATOM 0 HA SER A 61 -7.005 -7.967 -4.619 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.930 -8.432 -6.864 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.881 -7.703 -5.664 1.00 0.00 H new ATOM 0 HG SER A 61 -3.839 -9.636 -5.350 1.00 0.00 H new ATOM 617 N GLU A 62 -7.216 -11.199 -5.020 1.00 0.00 N ATOM 618 CA GLU A 62 -8.129 -12.285 -5.353 1.00 0.00 C ATOM 619 C GLU A 62 -9.474 -12.092 -4.658 1.00 0.00 C ATOM 620 O GLU A 62 -10.514 -12.026 -5.312 1.00 0.00 O ATOM 621 CB GLU A 62 -7.511 -13.632 -4.956 1.00 0.00 C ATOM 622 CG GLU A 62 -8.426 -14.827 -5.180 1.00 0.00 C ATOM 623 CD GLU A 62 -7.743 -16.149 -4.890 1.00 0.00 C ATOM 624 OE1 GLU A 62 -7.692 -16.559 -3.714 1.00 0.00 O ATOM 625 OE2 GLU A 62 -7.259 -16.792 -5.845 1.00 0.00 O ATOM 0 H GLU A 62 -6.360 -11.501 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.298 -12.278 -6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.593 -13.780 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.231 -13.595 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.306 -14.730 -4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.777 -14.823 -6.212 1.00 0.00 H new ATOM 632 N LEU A 63 -9.449 -11.978 -3.335 1.00 0.00 N ATOM 633 CA LEU A 63 -10.676 -11.842 -2.561 1.00 0.00 C ATOM 634 C LEU A 63 -11.327 -10.480 -2.781 1.00 0.00 C ATOM 635 O LEU A 63 -12.552 -10.356 -2.735 1.00 0.00 O ATOM 636 CB LEU A 63 -10.406 -12.064 -1.072 1.00 0.00 C ATOM 637 CG LEU A 63 -9.953 -13.477 -0.698 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.790 -13.604 0.807 1.00 0.00 C ATOM 639 CD2 LEU A 63 -10.941 -14.512 -1.216 1.00 0.00 C ATOM 0 H LEU A 63 -8.595 -11.977 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.369 -12.608 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.643 -11.357 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.314 -11.831 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.986 -13.661 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.467 -14.615 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.043 -12.890 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.743 -13.398 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.601 -15.510 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.922 -14.329 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.008 -14.439 -2.301 1.00 0.00 H new ATOM 651 N ALA A 64 -10.510 -9.463 -3.020 1.00 0.00 N ATOM 652 CA ALA A 64 -11.023 -8.125 -3.284 1.00 0.00 C ATOM 653 C ALA A 64 -11.804 -8.098 -4.592 1.00 0.00 C ATOM 654 O ALA A 64 -12.901 -7.538 -4.664 1.00 0.00 O ATOM 655 CB ALA A 64 -9.889 -7.113 -3.324 1.00 0.00 C ATOM 0 H ALA A 64 -9.493 -9.538 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.698 -7.854 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.294 -6.121 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.371 -7.109 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.188 -7.383 -4.114 1.00 0.00 H new ATOM 661 N ASP A 65 -11.244 -8.720 -5.621 1.00 0.00 N ATOM 662 CA ASP A 65 -11.885 -8.766 -6.930 1.00 0.00 C ATOM 663 C ASP A 65 -13.053 -9.747 -6.916 1.00 0.00 C ATOM 664 O ASP A 65 -14.035 -9.572 -7.638 1.00 0.00 O ATOM 665 CB ASP A 65 -10.868 -9.157 -8.006 1.00 0.00 C ATOM 666 CG ASP A 65 -11.441 -9.084 -9.405 1.00 0.00 C ATOM 667 OD1 ASP A 65 -11.681 -7.959 -9.894 1.00 0.00 O ATOM 668 OD2 ASP A 65 -11.654 -10.149 -10.023 1.00 0.00 O ATOM 0 H ASP A 65 -10.346 -9.201 -5.575 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.272 -7.774 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.002 -8.499 -7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.514 -10.170 -7.815 1.00 0.00 H new ATOM 673 N ALA A 66 -12.942 -10.777 -6.080 1.00 0.00 N ATOM 674 CA ALA A 66 -14.019 -11.748 -5.906 1.00 0.00 C ATOM 675 C ALA A 66 -15.273 -11.077 -5.351 1.00 0.00 C ATOM 676 O ALA A 66 -16.394 -11.454 -5.698 1.00 0.00 O ATOM 677 CB ALA A 66 -13.575 -12.881 -4.994 1.00 0.00 C ATOM 0 H ALA A 66 -12.115 -10.961 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.260 -12.164 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.391 -13.594 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.713 -13.384 -5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.302 -12.478 -4.019 1.00 0.00 H new ATOM 683 N LYS A 67 -15.084 -10.096 -4.476 1.00 0.00 N ATOM 684 CA LYS A 67 -16.199 -9.291 -3.994 1.00 0.00 C ATOM 685 C LYS A 67 -16.597 -8.261 -5.042 1.00 0.00 C ATOM 686 O LYS A 67 -17.765 -8.163 -5.423 1.00 0.00 O ATOM 687 CB LYS A 67 -15.852 -8.583 -2.678 1.00 0.00 C ATOM 688 CG LYS A 67 -15.882 -9.491 -1.460 1.00 0.00 C ATOM 689 CD LYS A 67 -15.715 -8.697 -0.174 1.00 0.00 C ATOM 690 CE LYS A 67 -15.810 -9.589 1.056 1.00 0.00 C ATOM 691 NZ LYS A 67 -17.109 -10.310 1.134 1.00 0.00 N ATOM 0 H LYS A 67 -14.176 -9.840 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.037 -9.963 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.859 -8.143 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.552 -7.762 -2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.826 -10.036 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.087 -10.233 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.750 -8.190 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.481 -7.923 -0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.996 -10.313 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.680 -8.983 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.235 -10.697 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.885 -9.651 0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.117 -11.087 0.443 1.00 0.00 H new ATOM 705 N GLY A 68 -15.622 -7.499 -5.508 1.00 0.00 N ATOM 706 CA GLY A 68 -15.889 -6.469 -6.489 1.00 0.00 C ATOM 707 C GLY A 68 -15.277 -5.146 -6.093 1.00 0.00 C ATOM 708 O GLY A 68 -15.968 -4.128 -6.002 1.00 0.00 O ATOM 0 H GLY A 68 -14.646 -7.575 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.494 -6.777 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.966 -6.350 -6.608 1.00 0.00 H new ATOM 712 N GLY A 69 -13.981 -5.163 -5.837 1.00 0.00 N ATOM 713 CA GLY A 69 -13.279 -3.955 -5.469 1.00 0.00 C ATOM 714 C GLY A 69 -12.112 -3.685 -6.389 1.00 0.00 C ATOM 715 O GLY A 69 -11.645 -4.585 -7.086 1.00 0.00 O ATOM 0 H GLY A 69 -13.398 -5.999 -5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.968 -3.111 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.921 -4.040 -4.443 1.00 0.00 H new ATOM 719 N LYS A 70 -11.647 -2.449 -6.398 1.00 0.00 N ATOM 720 CA LYS A 70 -10.531 -2.061 -7.246 1.00 0.00 C ATOM 721 C LYS A 70 -9.305 -1.776 -6.388 1.00 0.00 C ATOM 722 O LYS A 70 -8.163 -1.951 -6.818 1.00 0.00 O ATOM 723 CB LYS A 70 -10.901 -0.816 -8.053 1.00 0.00 C ATOM 724 CG LYS A 70 -12.289 -0.881 -8.675 1.00 0.00 C ATOM 725 CD LYS A 70 -12.627 0.394 -9.427 1.00 0.00 C ATOM 726 CE LYS A 70 -11.789 0.535 -10.687 1.00 0.00 C ATOM 727 NZ LYS A 70 -12.068 -0.553 -11.664 1.00 0.00 N ATOM 0 H LYS A 70 -12.025 -1.694 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.304 -2.876 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.844 0.058 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.164 -0.674 -8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.343 -1.730 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.030 -1.050 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.685 0.393 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.460 1.255 -8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.991 1.500 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.732 0.523 -10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.711 -0.278 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.594 -1.426 -11.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.094 -0.716 -11.718 1.00 0.00 H new ATOM 741 N TYR A 71 -9.560 -1.345 -5.161 1.00 0.00 N ATOM 742 CA TYR A 71 -8.502 -0.962 -4.243 1.00 0.00 C ATOM 743 C TYR A 71 -8.679 -1.713 -2.932 1.00 0.00 C ATOM 744 O TYR A 71 -9.797 -1.821 -2.427 1.00 0.00 O ATOM 745 CB TYR A 71 -8.558 0.547 -3.979 1.00 0.00 C ATOM 746 CG TYR A 71 -8.865 1.377 -5.208 1.00 0.00 C ATOM 747 CD1 TYR A 71 -7.870 1.715 -6.117 1.00 0.00 C ATOM 748 CD2 TYR A 71 -10.161 1.820 -5.460 1.00 0.00 C ATOM 749 CE1 TYR A 71 -8.157 2.467 -7.241 1.00 0.00 C ATOM 750 CE2 TYR A 71 -10.454 2.573 -6.580 1.00 0.00 C ATOM 751 CZ TYR A 71 -9.449 2.894 -7.468 1.00 0.00 C ATOM 752 OH TYR A 71 -9.739 3.636 -8.590 1.00 0.00 O ATOM 0 H TYR A 71 -10.501 -1.252 -4.777 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.536 -1.211 -4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.316 0.745 -3.221 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.602 0.869 -3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.856 1.385 -5.943 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.951 1.570 -4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.372 2.719 -7.939 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.465 2.909 -6.759 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.694 3.855 -8.600 1.00 0.00 H new ATOM 762 N TYR A 72 -7.599 -2.246 -2.385 1.00 0.00 N ATOM 763 CA TYR A 72 -7.680 -2.908 -1.095 1.00 0.00 C ATOM 764 C TYR A 72 -6.705 -2.291 -0.105 1.00 0.00 C ATOM 765 O TYR A 72 -5.540 -2.045 -0.420 1.00 0.00 O ATOM 766 CB TYR A 72 -7.476 -4.429 -1.214 1.00 0.00 C ATOM 767 CG TYR A 72 -6.209 -4.866 -1.919 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.021 -5.036 -1.220 1.00 0.00 C ATOM 769 CD2 TYR A 72 -6.212 -5.136 -3.281 1.00 0.00 C ATOM 770 CE1 TYR A 72 -3.871 -5.454 -1.859 1.00 0.00 C ATOM 771 CE2 TYR A 72 -5.067 -5.559 -3.926 1.00 0.00 C ATOM 772 CZ TYR A 72 -3.900 -5.715 -3.212 1.00 0.00 C ATOM 773 OH TYR A 72 -2.759 -6.137 -3.852 1.00 0.00 O ATOM 0 H TYR A 72 -6.670 -2.234 -2.806 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.689 -2.754 -0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.479 -4.857 -0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.330 -4.852 -1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.996 -4.838 -0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.125 -5.013 -3.845 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.954 -5.576 -1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.087 -5.767 -4.986 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.950 -6.278 -4.803 1.00 0.00 H new ATOM 783 N HIS A 73 -7.204 -2.018 1.087 1.00 0.00 N ATOM 784 CA HIS A 73 -6.407 -1.398 2.134 1.00 0.00 C ATOM 785 C HIS A 73 -6.151 -2.392 3.252 1.00 0.00 C ATOM 786 O HIS A 73 -7.065 -2.754 3.987 1.00 0.00 O ATOM 787 CB HIS A 73 -7.122 -0.155 2.684 1.00 0.00 C ATOM 788 CG HIS A 73 -6.471 0.436 3.904 1.00 0.00 C ATOM 789 ND1 HIS A 73 -7.160 0.707 5.064 1.00 0.00 N ATOM 790 CD2 HIS A 73 -5.188 0.801 4.140 1.00 0.00 C ATOM 791 CE1 HIS A 73 -6.333 1.212 5.959 1.00 0.00 C ATOM 792 NE2 HIS A 73 -5.129 1.279 5.424 1.00 0.00 N ATOM 0 H HIS A 73 -8.167 -2.218 1.357 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.451 -1.090 1.710 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.162 0.604 1.903 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.152 -0.418 2.926 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.156 0.543 5.209 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.364 0.729 3.445 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.597 1.519 6.960 1.00 0.00 H new ATOM 801 N ILE A 74 -4.914 -2.836 3.369 1.00 0.00 N ATOM 802 CA ILE A 74 -4.536 -3.756 4.428 1.00 0.00 C ATOM 803 C ILE A 74 -4.566 -3.044 5.773 1.00 0.00 C ATOM 804 O ILE A 74 -3.784 -2.127 6.015 1.00 0.00 O ATOM 805 CB ILE A 74 -3.132 -4.343 4.191 1.00 0.00 C ATOM 806 CG1 ILE A 74 -3.059 -4.977 2.802 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.794 -5.367 5.268 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.684 -5.484 2.439 1.00 0.00 C ATOM 0 H ILE A 74 -4.152 -2.575 2.743 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.255 -4.575 4.427 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.399 -3.538 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.767 -5.804 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.374 -4.243 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.799 -5.772 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.817 -4.887 6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.525 -6.175 5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.709 -5.920 1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.975 -4.656 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.374 -6.242 3.158 1.00 0.00 H new ATOM 820 N ILE A 75 -5.484 -3.453 6.632 1.00 0.00 N ATOM 821 CA ILE A 75 -5.619 -2.835 7.940 1.00 0.00 C ATOM 822 C ILE A 75 -4.849 -3.614 8.997 1.00 0.00 C ATOM 823 O ILE A 75 -4.324 -3.029 9.941 1.00 0.00 O ATOM 824 CB ILE A 75 -7.098 -2.694 8.369 1.00 0.00 C ATOM 825 CG1 ILE A 75 -7.855 -4.010 8.169 1.00 0.00 C ATOM 826 CG2 ILE A 75 -7.766 -1.566 7.599 1.00 0.00 C ATOM 827 CD1 ILE A 75 -9.317 -3.937 8.557 1.00 0.00 C ATOM 0 H ILE A 75 -6.145 -4.208 6.448 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.196 -1.834 7.855 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.124 -2.452 9.431 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.780 -4.306 7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.371 -4.790 8.757 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.807 -1.479 7.911 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.246 -0.630 7.802 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.725 -1.780 6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.787 -4.906 8.388 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.401 -3.672 9.611 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.817 -3.181 7.952 1.00 0.00 H new ATOM 839 N ALA A 76 -4.755 -4.928 8.822 1.00 0.00 N ATOM 840 CA ALA A 76 -4.063 -5.767 9.789 1.00 0.00 C ATOM 841 C ALA A 76 -3.490 -7.018 9.136 1.00 0.00 C ATOM 842 O ALA A 76 -4.213 -7.973 8.858 1.00 0.00 O ATOM 843 CB ALA A 76 -4.998 -6.148 10.928 1.00 0.00 C ATOM 0 H ALA A 76 -5.147 -5.430 8.025 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.231 -5.189 10.191 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.465 -6.775 11.642 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.348 -5.245 11.429 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.852 -6.697 10.530 1.00 0.00 H new ATOM 849 N ALA A 77 -2.194 -6.996 8.879 1.00 0.00 N ATOM 850 CA ALA A 77 -1.494 -8.169 8.377 1.00 0.00 C ATOM 851 C ALA A 77 -0.715 -8.807 9.517 1.00 0.00 C ATOM 852 O ALA A 77 0.369 -8.345 9.874 1.00 0.00 O ATOM 853 CB ALA A 77 -0.566 -7.795 7.229 1.00 0.00 C ATOM 0 H ALA A 77 -1.602 -6.176 9.010 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.220 -8.885 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.053 -8.687 6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.149 -7.360 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.169 -7.070 7.577 1.00 0.00 H new ATOM 859 N ARG A 78 -1.278 -9.852 10.101 1.00 0.00 N ATOM 860 CA ARG A 78 -0.705 -10.441 11.300 1.00 0.00 C ATOM 861 C ARG A 78 -0.569 -11.952 11.168 1.00 0.00 C ATOM 862 O ARG A 78 -1.064 -12.556 10.219 1.00 0.00 O ATOM 863 CB ARG A 78 -1.554 -10.082 12.525 1.00 0.00 C ATOM 864 CG ARG A 78 -3.006 -10.529 12.430 1.00 0.00 C ATOM 865 CD ARG A 78 -3.824 -10.017 13.609 1.00 0.00 C ATOM 866 NE ARG A 78 -3.344 -10.543 14.889 1.00 0.00 N ATOM 867 CZ ARG A 78 -2.787 -9.792 15.845 1.00 0.00 C ATOM 868 NH1 ARG A 78 -2.646 -8.484 15.672 1.00 0.00 N ATOM 869 NH2 ARG A 78 -2.374 -10.350 16.977 1.00 0.00 N ATOM 0 H ARG A 78 -2.127 -10.308 9.767 1.00 0.00 H new ATOM 0 HA ARG A 78 0.296 -10.030 11.431 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.104 -10.532 13.410 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.527 -9.002 12.668 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.440 -10.165 11.499 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.052 -11.618 12.399 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.786 -8.928 13.629 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.869 -10.297 13.472 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.441 -11.544 15.062 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.963 -8.047 14.807 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.221 -7.916 16.404 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.481 -11.354 17.119 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.950 -9.774 17.704 1.00 0.00 H new ATOM 883 N GLU A 79 0.112 -12.550 12.128 1.00 0.00 N ATOM 884 CA GLU A 79 0.347 -13.980 12.127 1.00 0.00 C ATOM 885 C GLU A 79 -0.170 -14.588 13.423 1.00 0.00 C ATOM 886 O GLU A 79 0.370 -14.328 14.498 1.00 0.00 O ATOM 887 CB GLU A 79 1.842 -14.250 11.964 1.00 0.00 C ATOM 888 CG GLU A 79 2.199 -15.719 11.843 1.00 0.00 C ATOM 889 CD GLU A 79 3.684 -15.928 11.644 1.00 0.00 C ATOM 890 OE1 GLU A 79 4.195 -15.563 10.562 1.00 0.00 O ATOM 891 OE2 GLU A 79 4.344 -16.461 12.559 1.00 0.00 O ATOM 0 H GLU A 79 0.516 -12.060 12.926 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.186 -14.439 11.294 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.200 -13.727 11.077 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.371 -13.828 12.818 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.876 -16.245 12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.656 -16.156 11.005 1.00 0.00 H new ATOM 898 N HIS A 80 -1.226 -15.376 13.322 1.00 0.00 N ATOM 899 CA HIS A 80 -1.828 -15.999 14.490 1.00 0.00 C ATOM 900 C HIS A 80 -1.407 -17.464 14.568 1.00 0.00 C ATOM 901 O HIS A 80 -2.215 -18.373 14.358 1.00 0.00 O ATOM 902 CB HIS A 80 -3.356 -15.865 14.431 1.00 0.00 C ATOM 903 CG HIS A 80 -4.070 -16.311 15.673 1.00 0.00 C ATOM 904 ND1 HIS A 80 -5.419 -16.585 15.704 1.00 0.00 N ATOM 905 CD2 HIS A 80 -3.620 -16.515 16.933 1.00 0.00 C ATOM 906 CE1 HIS A 80 -5.767 -16.941 16.924 1.00 0.00 C ATOM 907 NE2 HIS A 80 -4.695 -16.905 17.691 1.00 0.00 N ATOM 0 H HIS A 80 -1.687 -15.601 12.440 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.480 -15.493 15.391 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.609 -14.823 14.237 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.726 -16.446 13.586 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.604 -16.393 17.278 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.762 -17.216 17.242 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.669 -17.130 18.685 1.00 0.00 H new ATOM 916 N GLY A 81 -0.127 -17.678 14.835 1.00 0.00 N ATOM 917 CA GLY A 81 0.400 -19.022 14.897 1.00 0.00 C ATOM 918 C GLY A 81 0.531 -19.619 13.517 1.00 0.00 C ATOM 919 O GLY A 81 1.139 -19.013 12.634 1.00 0.00 O ATOM 0 H GLY A 81 0.556 -16.941 15.010 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.374 -19.012 15.386 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.255 -19.645 15.505 1.00 0.00 H new ATOM 923 N PRO A 82 -0.042 -20.808 13.293 1.00 0.00 N ATOM 924 CA PRO A 82 -0.077 -21.427 11.972 1.00 0.00 C ATOM 925 C PRO A 82 -1.038 -20.694 11.044 1.00 0.00 C ATOM 926 O PRO A 82 -0.934 -20.788 9.823 1.00 0.00 O ATOM 927 CB PRO A 82 -0.581 -22.855 12.238 1.00 0.00 C ATOM 928 CG PRO A 82 -0.549 -23.025 13.721 1.00 0.00 C ATOM 929 CD PRO A 82 -0.684 -21.651 14.307 1.00 0.00 C ATOM 0 HA PRO A 82 0.897 -21.402 11.483 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.590 -22.993 11.850 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.053 -23.592 11.746 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.360 -23.671 14.056 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.383 -23.493 14.038 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.728 -21.377 14.461 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.187 -21.572 15.274 1.00 0.00 H new ATOM 937 N ASN A 83 -1.964 -19.954 11.635 1.00 0.00 N ATOM 938 CA ASN A 83 -2.968 -19.226 10.877 1.00 0.00 C ATOM 939 C ASN A 83 -2.467 -17.833 10.533 1.00 0.00 C ATOM 940 O ASN A 83 -2.414 -16.953 11.393 1.00 0.00 O ATOM 941 CB ASN A 83 -4.275 -19.129 11.670 1.00 0.00 C ATOM 942 CG ASN A 83 -5.422 -19.863 11.004 1.00 0.00 C ATOM 943 OD1 ASN A 83 -5.615 -21.062 11.218 1.00 0.00 O ATOM 944 ND2 ASN A 83 -6.207 -19.149 10.214 1.00 0.00 N ATOM 0 H ASN A 83 -2.040 -19.842 12.646 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.158 -19.771 9.952 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.120 -19.537 12.669 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.543 -18.080 11.792 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.006 -19.588 9.756 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.014 -18.159 10.062 1.00 0.00 H new ATOM 951 N PHE A 84 -2.078 -17.643 9.287 1.00 0.00 N ATOM 952 CA PHE A 84 -1.648 -16.341 8.816 1.00 0.00 C ATOM 953 C PHE A 84 -2.873 -15.509 8.454 1.00 0.00 C ATOM 954 O PHE A 84 -3.637 -15.878 7.561 1.00 0.00 O ATOM 955 CB PHE A 84 -0.716 -16.489 7.611 1.00 0.00 C ATOM 956 CG PHE A 84 -0.247 -15.175 7.057 1.00 0.00 C ATOM 957 CD1 PHE A 84 0.690 -14.414 7.739 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.751 -14.698 5.859 1.00 0.00 C ATOM 959 CE1 PHE A 84 1.117 -13.202 7.231 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.328 -13.489 5.348 1.00 0.00 C ATOM 961 CZ PHE A 84 0.609 -12.739 6.033 1.00 0.00 C ATOM 0 H PHE A 84 -2.051 -18.378 8.580 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.094 -15.834 9.606 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.151 -17.083 7.902 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.233 -17.042 6.827 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.090 -14.772 8.676 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.484 -15.279 5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.847 -12.617 7.770 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.729 -13.128 4.412 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.943 -11.793 5.633 1.00 0.00 H new ATOM 971 N GLU A 85 -3.047 -14.394 9.153 1.00 0.00 N ATOM 972 CA GLU A 85 -4.269 -13.607 9.044 1.00 0.00 C ATOM 973 C GLU A 85 -3.999 -12.263 8.371 1.00 0.00 C ATOM 974 O GLU A 85 -3.390 -11.369 8.965 1.00 0.00 O ATOM 975 CB GLU A 85 -4.852 -13.368 10.439 1.00 0.00 C ATOM 976 CG GLU A 85 -4.995 -14.630 11.276 1.00 0.00 C ATOM 977 CD GLU A 85 -6.056 -15.573 10.750 1.00 0.00 C ATOM 978 OE1 GLU A 85 -7.239 -15.394 11.110 1.00 0.00 O ATOM 979 OE2 GLU A 85 -5.719 -16.500 9.993 1.00 0.00 O ATOM 0 H GLU A 85 -2.357 -14.014 9.801 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.980 -14.163 8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.215 -12.662 10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.831 -12.900 10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.037 -15.150 11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.239 -14.353 12.302 1.00 0.00 H new ATOM 986 N ALA A 86 -4.459 -12.123 7.140 1.00 0.00 N ATOM 987 CA ALA A 86 -4.324 -10.868 6.422 1.00 0.00 C ATOM 988 C ALA A 86 -5.677 -10.188 6.271 1.00 0.00 C ATOM 989 O ALA A 86 -6.500 -10.593 5.451 1.00 0.00 O ATOM 990 CB ALA A 86 -3.691 -11.099 5.062 1.00 0.00 C ATOM 0 H ALA A 86 -4.929 -12.862 6.617 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.673 -10.212 6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.598 -10.148 4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.703 -11.541 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.317 -11.774 4.479 1.00 0.00 H new ATOM 996 N VAL A 87 -5.915 -9.169 7.080 1.00 0.00 N ATOM 997 CA VAL A 87 -7.180 -8.451 7.046 1.00 0.00 C ATOM 998 C VAL A 87 -7.033 -7.152 6.259 1.00 0.00 C ATOM 999 O VAL A 87 -6.188 -6.307 6.581 1.00 0.00 O ATOM 1000 CB VAL A 87 -7.694 -8.136 8.468 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -9.101 -7.558 8.419 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -7.656 -9.382 9.342 1.00 0.00 C ATOM 0 H VAL A 87 -5.249 -8.820 7.769 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.907 -9.097 6.554 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.035 -7.388 8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.442 -7.344 9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.096 -6.637 7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.774 -8.278 7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.022 -9.138 10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.287 -10.154 8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.631 -9.747 9.411 1.00 0.00 H new ATOM 1012 N ALA A 88 -7.852 -6.997 5.231 1.00 0.00 N ATOM 1013 CA ALA A 88 -7.795 -5.827 4.373 1.00 0.00 C ATOM 1014 C ALA A 88 -9.200 -5.357 4.020 1.00 0.00 C ATOM 1015 O ALA A 88 -10.168 -6.085 4.202 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.008 -6.138 3.109 1.00 0.00 C ATOM 0 H ALA A 88 -8.569 -7.674 4.970 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.288 -5.026 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.973 -5.252 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.993 -6.433 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.493 -6.952 2.569 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.305 -4.145 3.508 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.591 -3.591 3.122 1.00 0.00 C ATOM 1024 C GLU A 89 -10.769 -3.666 1.614 1.00 0.00 C ATOM 1025 O GLU A 89 -9.793 -3.693 0.870 1.00 0.00 O ATOM 1026 CB GLU A 89 -10.697 -2.134 3.550 1.00 0.00 C ATOM 1027 CG GLU A 89 -10.510 -1.891 5.034 1.00 0.00 C ATOM 1028 CD GLU A 89 -10.698 -0.432 5.386 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -11.862 -0.009 5.545 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -9.688 0.299 5.472 1.00 0.00 O ATOM 0 H GLU A 89 -8.513 -3.523 3.349 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.367 -4.176 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.952 -1.555 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.675 -1.754 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.222 -2.496 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.513 -2.213 5.333 1.00 0.00 H new ATOM 1037 N VAL A 90 -12.018 -3.688 1.176 1.00 0.00 N ATOM 1038 CA VAL A 90 -12.333 -3.693 -0.244 1.00 0.00 C ATOM 1039 C VAL A 90 -13.025 -2.392 -0.630 1.00 0.00 C ATOM 1040 O VAL A 90 -14.139 -2.114 -0.176 1.00 0.00 O ATOM 1041 CB VAL A 90 -13.237 -4.886 -0.617 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.591 -4.862 -2.095 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.558 -6.192 -0.250 1.00 0.00 C ATOM 0 H VAL A 90 -12.834 -3.703 1.787 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.395 -3.789 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.165 -4.803 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -14.229 -5.714 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -14.120 -3.938 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.678 -4.917 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.206 -7.027 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.615 -6.276 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.365 -6.213 0.823 1.00 0.00 H new ATOM 1053 N TYR A 91 -12.357 -1.591 -1.444 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.901 -0.310 -1.867 1.00 0.00 C ATOM 1055 C TYR A 91 -13.107 -0.264 -3.374 1.00 0.00 C ATOM 1056 O TYR A 91 -12.333 -0.835 -4.147 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.988 0.838 -1.426 1.00 0.00 C ATOM 1058 CG TYR A 91 -12.157 1.220 0.028 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -11.699 0.393 1.044 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -12.789 2.403 0.385 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -11.864 0.737 2.371 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -12.961 2.751 1.711 1.00 0.00 C ATOM 1063 CZ TYR A 91 -12.494 1.913 2.700 1.00 0.00 C ATOM 1064 OH TYR A 91 -12.673 2.244 4.025 1.00 0.00 O ATOM 0 H TYR A 91 -11.436 -1.805 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.873 -0.192 -1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.950 0.554 -1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.188 1.710 -2.048 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.206 -0.534 0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.153 3.064 -0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -11.499 0.083 3.149 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.458 3.674 1.971 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.405 1.489 4.590 1.00 0.00 H new ATOM 1074 N ASN A 92 -14.167 0.412 -3.771 1.00 0.00 N ATOM 1075 CA ASN A 92 -14.477 0.621 -5.173 1.00 0.00 C ATOM 1076 C ASN A 92 -14.444 2.120 -5.457 1.00 0.00 C ATOM 1077 O ASN A 92 -14.078 2.909 -4.582 1.00 0.00 O ATOM 1078 CB ASN A 92 -15.859 0.042 -5.504 1.00 0.00 C ATOM 1079 CG ASN A 92 -16.028 -0.296 -6.976 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -16.381 0.556 -7.787 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -15.801 -1.553 -7.323 1.00 0.00 N ATOM 0 H ASN A 92 -14.839 0.833 -3.130 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.742 0.112 -5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.021 -0.858 -4.910 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.626 0.759 -5.212 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.918 -1.843 -8.294 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.509 -2.231 -6.620 1.00 0.00 H new ATOM 1088 N ASP A 93 -14.833 2.515 -6.655 1.00 0.00 N ATOM 1089 CA ASP A 93 -14.802 3.919 -7.027 1.00 0.00 C ATOM 1090 C ASP A 93 -16.084 4.609 -6.565 1.00 0.00 C ATOM 1091 O ASP A 93 -17.089 3.952 -6.280 1.00 0.00 O ATOM 1092 CB ASP A 93 -14.624 4.063 -8.540 1.00 0.00 C ATOM 1093 CG ASP A 93 -14.152 5.447 -8.943 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -14.984 6.373 -8.985 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -12.951 5.607 -9.238 1.00 0.00 O ATOM 0 H ASP A 93 -15.173 1.888 -7.384 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.954 4.398 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.905 3.322 -8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.571 3.847 -9.036 1.00 0.00 H new ATOM 1100 N ALA A 94 -16.052 5.930 -6.498 1.00 0.00 N ATOM 1101 CA ALA A 94 -17.171 6.700 -5.975 1.00 0.00 C ATOM 1102 C ALA A 94 -18.101 7.158 -7.090 1.00 0.00 C ATOM 1103 O ALA A 94 -19.081 7.867 -6.845 1.00 0.00 O ATOM 1104 CB ALA A 94 -16.660 7.893 -5.187 1.00 0.00 C ATOM 0 H ALA A 94 -15.259 6.495 -6.801 1.00 0.00 H new ATOM 0 HA ALA A 94 -17.744 6.053 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -17.505 8.462 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -16.046 7.545 -4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.061 8.530 -5.838 1.00 0.00 H new ATOM 1290 N ALA B 22 7.096 0.358 -8.884 1.00 0.00 N ATOM 1291 CA ALA B 22 7.397 -0.178 -7.540 1.00 0.00 C ATOM 1292 C ALA B 22 6.105 -0.589 -6.850 1.00 0.00 C ATOM 1293 O ALA B 22 5.032 -0.088 -7.187 1.00 0.00 O ATOM 1294 CB ALA B 22 8.142 0.856 -6.711 1.00 0.00 C ATOM 0 HA ALA B 22 8.036 -1.055 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.356 0.446 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA B 22 9.077 1.115 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA B 22 7.527 1.750 -6.607 1.00 0.00 H new ATOM 1302 N GLU B 23 6.202 -1.498 -5.891 1.00 0.00 N ATOM 1303 CA GLU B 23 5.019 -2.007 -5.211 1.00 0.00 C ATOM 1304 C GLU B 23 4.843 -1.349 -3.847 1.00 0.00 C ATOM 1305 O GLU B 23 5.817 -1.019 -3.170 1.00 0.00 O ATOM 1306 CB GLU B 23 5.101 -3.528 -5.075 1.00 0.00 C ATOM 1307 CG GLU B 23 5.062 -4.247 -6.414 1.00 0.00 C ATOM 1308 CD GLU B 23 5.317 -5.734 -6.296 1.00 0.00 C ATOM 1309 OE1 GLU B 23 6.502 -6.130 -6.254 1.00 0.00 O ATOM 1310 OE2 GLU B 23 4.344 -6.514 -6.269 1.00 0.00 O ATOM 0 H GLU B 23 7.083 -1.897 -5.567 1.00 0.00 H new ATOM 0 HA GLU B 23 4.145 -1.758 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.021 -3.792 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU B 23 4.274 -3.877 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU B 23 4.089 -4.087 -6.878 1.00 0.00 H new ATOM 0 HG3 GLU B 23 5.807 -3.808 -7.077 1.00 0.00 H new ATOM 1317 N GLN B 24 3.593 -1.156 -3.460 1.00 0.00 N ATOM 1318 CA GLN B 24 3.264 -0.480 -2.214 1.00 0.00 C ATOM 1319 C GLN B 24 2.858 -1.486 -1.143 1.00 0.00 C ATOM 1320 O GLN B 24 2.009 -2.348 -1.376 1.00 0.00 O ATOM 1321 CB GLN B 24 2.143 0.532 -2.465 1.00 0.00 C ATOM 1322 CG GLN B 24 1.564 1.161 -1.208 1.00 0.00 C ATOM 1323 CD GLN B 24 0.705 2.372 -1.520 1.00 0.00 C ATOM 1324 OE1 GLN B 24 0.986 3.119 -2.455 1.00 0.00 O ATOM 1325 NE2 GLN B 24 -0.363 2.554 -0.764 1.00 0.00 N ATOM 0 H GLN B 24 2.781 -1.461 -3.997 1.00 0.00 H new ATOM 0 HA GLN B 24 4.146 0.049 -1.852 1.00 0.00 H new ATOM 0 HB2 GLN B 24 2.524 1.324 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.340 0.037 -3.010 1.00 0.00 H new ATOM 0 HG2 GLN B 24 0.967 0.421 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN B 24 2.376 1.455 -0.543 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -0.561 1.911 0.003 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.990 3.338 -0.947 1.00 0.00 H new ATOM 1334 N VAL B 25 3.484 -1.373 0.024 1.00 0.00 N ATOM 1335 CA VAL B 25 3.205 -2.263 1.145 1.00 0.00 C ATOM 1336 C VAL B 25 3.002 -1.463 2.430 1.00 0.00 C ATOM 1337 O VAL B 25 3.395 -0.297 2.516 1.00 0.00 O ATOM 1338 CB VAL B 25 4.342 -3.290 1.360 1.00 0.00 C ATOM 1339 CG1 VAL B 25 4.423 -4.262 0.192 1.00 0.00 C ATOM 1340 CG2 VAL B 25 5.677 -2.584 1.563 1.00 0.00 C ATOM 0 H VAL B 25 4.194 -0.667 0.219 1.00 0.00 H new ATOM 0 HA VAL B 25 2.291 -2.805 0.901 1.00 0.00 H new ATOM 0 HB VAL B 25 4.115 -3.859 2.261 1.00 0.00 H new ATOM 0 HG11 VAL B 25 5.230 -4.974 0.366 1.00 0.00 H new ATOM 0 HG12 VAL B 25 3.479 -4.799 0.099 1.00 0.00 H new ATOM 0 HG13 VAL B 25 4.619 -3.710 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL B 25 6.462 -3.326 1.712 1.00 0.00 H new ATOM 0 HG22 VAL B 25 5.908 -1.983 0.684 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.617 -1.938 2.439 1.00 0.00 H new ATOM 1350 N SER B 26 2.378 -2.085 3.420 1.00 0.00 N ATOM 1351 CA SER B 26 2.131 -1.441 4.701 1.00 0.00 C ATOM 1352 C SER B 26 3.270 -1.728 5.679 1.00 0.00 C ATOM 1353 O SER B 26 4.063 -2.649 5.470 1.00 0.00 O ATOM 1354 CB SER B 26 0.798 -1.920 5.283 1.00 0.00 C ATOM 1355 OG SER B 26 0.790 -3.326 5.470 1.00 0.00 O ATOM 0 H SER B 26 2.031 -3.042 3.359 1.00 0.00 H new ATOM 0 HA SER B 26 2.080 -0.364 4.542 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.616 -1.424 6.236 1.00 0.00 H new ATOM 0 HB3 SER B 26 -0.015 -1.636 4.615 1.00 0.00 H new ATOM 0 HG SER B 26 0.674 -3.770 4.604 1.00 0.00 H new ATOM 1361 N LYS B 27 3.333 -0.952 6.759 1.00 0.00 N ATOM 1362 CA LYS B 27 4.403 -1.086 7.747 1.00 0.00 C ATOM 1363 C LYS B 27 4.336 -2.464 8.407 1.00 0.00 C ATOM 1364 O LYS B 27 5.352 -3.016 8.830 1.00 0.00 O ATOM 1365 CB LYS B 27 4.281 0.021 8.803 1.00 0.00 C ATOM 1366 CG LYS B 27 5.553 0.272 9.605 1.00 0.00 C ATOM 1367 CD LYS B 27 6.614 0.995 8.780 1.00 0.00 C ATOM 1368 CE LYS B 27 7.815 1.383 9.636 1.00 0.00 C ATOM 1369 NZ LYS B 27 8.835 2.159 8.874 1.00 0.00 N ATOM 0 H LYS B 27 2.654 -0.222 6.973 1.00 0.00 H new ATOM 0 HA LYS B 27 5.366 -0.987 7.247 1.00 0.00 H new ATOM 0 HB2 LYS B 27 3.990 0.947 8.308 1.00 0.00 H new ATOM 0 HB3 LYS B 27 3.477 -0.238 9.492 1.00 0.00 H new ATOM 0 HG2 LYS B 27 5.314 0.865 10.488 1.00 0.00 H new ATOM 0 HG3 LYS B 27 5.953 -0.679 9.958 1.00 0.00 H new ATOM 0 HD2 LYS B 27 6.941 0.353 7.962 1.00 0.00 H new ATOM 0 HD3 LYS B 27 6.181 1.889 8.331 1.00 0.00 H new ATOM 0 HE2 LYS B 27 7.475 1.974 10.486 1.00 0.00 H new ATOM 0 HE3 LYS B 27 8.276 0.481 10.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 9.637 2.383 9.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 9.170 1.594 8.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 8.410 3.042 8.526 1.00 0.00 H new ATOM 1383 N GLN B 28 3.127 -3.012 8.468 1.00 0.00 N ATOM 1384 CA GLN B 28 2.902 -4.350 9.006 1.00 0.00 C ATOM 1385 C GLN B 28 3.599 -5.408 8.154 1.00 0.00 C ATOM 1386 O GLN B 28 4.220 -6.336 8.679 1.00 0.00 O ATOM 1387 CB GLN B 28 1.402 -4.637 9.073 1.00 0.00 C ATOM 1388 CG GLN B 28 0.663 -3.785 10.093 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.844 -3.855 9.938 1.00 0.00 C ATOM 1390 OE1 GLN B 28 -1.585 -3.766 10.914 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -1.308 -3.999 8.705 1.00 0.00 N ATOM 0 H GLN B 28 2.279 -2.544 8.148 1.00 0.00 H new ATOM 0 HA GLN B 28 3.324 -4.391 10.010 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.965 -4.471 8.088 1.00 0.00 H new ATOM 0 HB3 GLN B 28 1.253 -5.689 9.315 1.00 0.00 H new ATOM 0 HG2 GLN B 28 0.936 -4.111 11.097 1.00 0.00 H new ATOM 0 HG3 GLN B 28 0.986 -2.748 9.995 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -0.659 -4.069 7.921 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -2.314 -4.040 8.540 1.00 0.00 H new ATOM 1400 N GLU B 29 3.510 -5.254 6.838 1.00 0.00 N ATOM 1401 CA GLU B 29 4.139 -6.187 5.913 1.00 0.00 C ATOM 1402 C GLU B 29 5.651 -6.069 6.013 1.00 0.00 C ATOM 1403 O GLU B 29 6.369 -7.070 6.063 1.00 0.00 O ATOM 1404 CB GLU B 29 3.680 -5.901 4.485 1.00 0.00 C ATOM 1405 CG GLU B 29 2.191 -6.106 4.279 1.00 0.00 C ATOM 1406 CD GLU B 29 1.689 -5.481 2.997 1.00 0.00 C ATOM 1407 OE1 GLU B 29 1.841 -6.100 1.928 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.140 -4.358 3.066 1.00 0.00 O ATOM 0 H GLU B 29 3.007 -4.490 6.387 1.00 0.00 H new ATOM 0 HA GLU B 29 3.845 -7.203 6.176 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.937 -4.874 4.227 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.227 -6.548 3.799 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.973 -7.174 4.267 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.649 -5.679 5.123 1.00 0.00 H new ATOM 1415 N ILE B 30 6.113 -4.830 6.078 1.00 0.00 N ATOM 1416 CA ILE B 30 7.529 -4.527 6.206 1.00 0.00 C ATOM 1417 C ILE B 30 8.109 -5.150 7.474 1.00 0.00 C ATOM 1418 O ILE B 30 9.263 -5.576 7.497 1.00 0.00 O ATOM 1419 CB ILE B 30 7.746 -3.002 6.228 1.00 0.00 C ATOM 1420 CG1 ILE B 30 7.159 -2.382 4.959 1.00 0.00 C ATOM 1421 CG2 ILE B 30 9.226 -2.673 6.358 1.00 0.00 C ATOM 1422 CD1 ILE B 30 7.028 -0.877 5.015 1.00 0.00 C ATOM 0 H ILE B 30 5.515 -4.005 6.043 1.00 0.00 H new ATOM 0 HA ILE B 30 8.045 -4.952 5.345 1.00 0.00 H new ATOM 0 HB ILE B 30 7.235 -2.582 7.094 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.789 -2.650 4.111 1.00 0.00 H new ATOM 0 HG13 ILE B 30 6.176 -2.816 4.776 1.00 0.00 H new ATOM 0 HG21 ILE B 30 9.358 -1.591 6.372 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.613 -3.098 7.284 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.768 -3.094 5.511 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.605 -0.514 4.079 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.374 -0.599 5.841 1.00 0.00 H new ATOM 0 HD13 ILE B 30 8.011 -0.432 5.166 1.00 0.00 H new ATOM 1434 N SER B 31 7.295 -5.209 8.520 1.00 0.00 N ATOM 1435 CA SER B 31 7.707 -5.810 9.780 1.00 0.00 C ATOM 1436 C SER B 31 7.737 -7.332 9.667 1.00 0.00 C ATOM 1437 O SER B 31 8.686 -7.978 10.114 1.00 0.00 O ATOM 1438 CB SER B 31 6.754 -5.384 10.904 1.00 0.00 C ATOM 1439 OG SER B 31 7.123 -5.965 12.147 1.00 0.00 O ATOM 0 H SER B 31 6.342 -4.846 8.519 1.00 0.00 H new ATOM 0 HA SER B 31 8.713 -5.462 10.015 1.00 0.00 H new ATOM 0 HB2 SER B 31 6.758 -4.298 10.993 1.00 0.00 H new ATOM 0 HB3 SER B 31 5.736 -5.680 10.651 1.00 0.00 H new ATOM 0 HG SER B 31 6.498 -5.673 12.843 1.00 0.00 H new ATOM 1445 N HIS B 32 6.706 -7.903 9.054 1.00 0.00 N ATOM 1446 CA HIS B 32 6.579 -9.353 8.977 1.00 0.00 C ATOM 1447 C HIS B 32 7.648 -9.955 8.067 1.00 0.00 C ATOM 1448 O HIS B 32 8.211 -11.002 8.375 1.00 0.00 O ATOM 1449 CB HIS B 32 5.184 -9.750 8.483 1.00 0.00 C ATOM 1450 CG HIS B 32 4.908 -11.224 8.575 1.00 0.00 C ATOM 1451 ND1 HIS B 32 5.015 -12.082 7.502 1.00 0.00 N ATOM 1452 CD2 HIS B 32 4.525 -11.990 9.627 1.00 0.00 C ATOM 1453 CE1 HIS B 32 4.712 -13.308 7.889 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.411 -13.282 9.174 1.00 0.00 N ATOM 0 H HIS B 32 5.950 -7.387 8.605 1.00 0.00 H new ATOM 0 HA HIS B 32 6.722 -9.750 9.982 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.435 -9.212 9.065 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.071 -9.432 7.447 1.00 0.00 H new ATOM 0 HD2 HIS B 32 4.343 -11.647 10.635 1.00 0.00 H new ATOM 0 HE1 HIS B 32 4.711 -14.185 7.259 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.139 -14.088 9.737 1.00 0.00 H new ATOM 1463 N PHE B 33 7.923 -9.297 6.950 1.00 0.00 N ATOM 1464 CA PHE B 33 8.892 -9.816 5.991 1.00 0.00 C ATOM 1465 C PHE B 33 10.285 -9.249 6.251 1.00 0.00 C ATOM 1466 O PHE B 33 11.277 -9.775 5.747 1.00 0.00 O ATOM 1467 CB PHE B 33 8.450 -9.500 4.559 1.00 0.00 C ATOM 1468 CG PHE B 33 7.107 -10.079 4.204 1.00 0.00 C ATOM 1469 CD1 PHE B 33 6.928 -11.451 4.128 1.00 0.00 C ATOM 1470 CD2 PHE B 33 6.022 -9.252 3.960 1.00 0.00 C ATOM 1471 CE1 PHE B 33 5.693 -11.986 3.812 1.00 0.00 C ATOM 1472 CE2 PHE B 33 4.785 -9.781 3.645 1.00 0.00 C ATOM 1473 CZ PHE B 33 4.621 -11.150 3.572 1.00 0.00 C ATOM 0 H PHE B 33 7.494 -8.410 6.685 1.00 0.00 H new ATOM 0 HA PHE B 33 8.939 -10.898 6.115 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.417 -8.418 4.428 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.197 -9.883 3.864 1.00 0.00 H new ATOM 0 HD1 PHE B 33 7.763 -12.110 4.318 1.00 0.00 H new ATOM 0 HD2 PHE B 33 6.145 -8.181 4.017 1.00 0.00 H new ATOM 0 HE1 PHE B 33 5.567 -13.057 3.753 1.00 0.00 H new ATOM 0 HE2 PHE B 33 3.948 -9.125 3.456 1.00 0.00 H new ATOM 0 HZ PHE B 33 3.655 -11.566 3.327 1.00 0.00 H new ATOM 1483 N LYS B 34 10.340 -8.187 7.055 1.00 0.00 N ATOM 1484 CA LYS B 34 11.590 -7.501 7.391 1.00 0.00 C ATOM 1485 C LYS B 34 12.301 -6.981 6.147 1.00 0.00 C ATOM 1486 O LYS B 34 13.191 -7.629 5.597 1.00 0.00 O ATOM 1487 CB LYS B 34 12.519 -8.397 8.218 1.00 0.00 C ATOM 1488 CG LYS B 34 12.064 -8.562 9.660 1.00 0.00 C ATOM 1489 CD LYS B 34 12.010 -7.220 10.376 1.00 0.00 C ATOM 1490 CE LYS B 34 11.501 -7.357 11.801 1.00 0.00 C ATOM 1491 NZ LYS B 34 12.372 -8.234 12.624 1.00 0.00 N ATOM 0 H LYS B 34 9.516 -7.776 7.494 1.00 0.00 H new ATOM 0 HA LYS B 34 11.325 -6.639 8.004 1.00 0.00 H new ATOM 0 HB2 LYS B 34 12.579 -9.379 7.748 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.524 -7.976 8.207 1.00 0.00 H new ATOM 0 HG2 LYS B 34 11.079 -9.029 9.682 1.00 0.00 H new ATOM 0 HG3 LYS B 34 12.746 -9.230 10.185 1.00 0.00 H new ATOM 0 HD2 LYS B 34 13.005 -6.775 10.387 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.362 -6.540 9.823 1.00 0.00 H new ATOM 0 HE2 LYS B 34 11.443 -6.371 12.261 1.00 0.00 H new ATOM 0 HE3 LYS B 34 10.489 -7.762 11.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 12.089 -8.166 13.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 12.276 -9.219 12.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 13.362 -7.932 12.524 1.00 0.00 H new ATOM 1505 N LEU B 35 11.883 -5.806 5.707 1.00 0.00 N ATOM 1506 CA LEU B 35 12.481 -5.164 4.549 1.00 0.00 C ATOM 1507 C LEU B 35 13.477 -4.098 4.994 1.00 0.00 C ATOM 1508 O LEU B 35 13.307 -3.484 6.047 1.00 0.00 O ATOM 1509 CB LEU B 35 11.393 -4.541 3.672 1.00 0.00 C ATOM 1510 CG LEU B 35 10.350 -5.526 3.137 1.00 0.00 C ATOM 1511 CD1 LEU B 35 9.248 -4.788 2.395 1.00 0.00 C ATOM 1512 CD2 LEU B 35 11.007 -6.555 2.230 1.00 0.00 C ATOM 0 H LEU B 35 11.127 -5.274 6.138 1.00 0.00 H new ATOM 0 HA LEU B 35 13.013 -5.916 3.965 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.881 -3.770 4.247 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.869 -4.044 2.826 1.00 0.00 H new ATOM 0 HG LEU B 35 9.903 -6.047 3.984 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.517 -5.505 2.022 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.758 -4.089 3.073 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.678 -4.240 1.557 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.252 -7.247 1.858 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.481 -6.049 1.389 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.760 -7.107 2.792 1.00 0.00 H new ATOM 1524 N VAL B 36 14.514 -3.887 4.195 1.00 0.00 N ATOM 1525 CA VAL B 36 15.547 -2.913 4.528 1.00 0.00 C ATOM 1526 C VAL B 36 15.153 -1.527 4.035 1.00 0.00 C ATOM 1527 O VAL B 36 14.846 -1.343 2.857 1.00 0.00 O ATOM 1528 CB VAL B 36 16.913 -3.305 3.922 1.00 0.00 C ATOM 1529 CG1 VAL B 36 17.970 -2.254 4.231 1.00 0.00 C ATOM 1530 CG2 VAL B 36 17.354 -4.665 4.439 1.00 0.00 C ATOM 0 H VAL B 36 14.663 -4.376 3.312 1.00 0.00 H new ATOM 0 HA VAL B 36 15.642 -2.900 5.614 1.00 0.00 H new ATOM 0 HB VAL B 36 16.797 -3.362 2.840 1.00 0.00 H new ATOM 0 HG11 VAL B 36 18.922 -2.555 3.793 1.00 0.00 H new ATOM 0 HG12 VAL B 36 17.664 -1.296 3.811 1.00 0.00 H new ATOM 0 HG13 VAL B 36 18.082 -2.157 5.311 1.00 0.00 H new ATOM 0 HG21 VAL B 36 18.318 -4.925 4.002 1.00 0.00 H new ATOM 0 HG22 VAL B 36 17.446 -4.629 5.525 1.00 0.00 H new ATOM 0 HG23 VAL B 36 16.615 -5.417 4.162 1.00 0.00 H new ATOM 1540 N LYS B 37 15.159 -0.557 4.937 1.00 0.00 N ATOM 1541 CA LYS B 37 14.780 0.800 4.589 1.00 0.00 C ATOM 1542 C LYS B 37 15.978 1.543 4.015 1.00 0.00 C ATOM 1543 O LYS B 37 16.933 1.858 4.728 1.00 0.00 O ATOM 1544 CB LYS B 37 14.218 1.528 5.815 1.00 0.00 C ATOM 1545 CG LYS B 37 13.568 2.866 5.498 1.00 0.00 C ATOM 1546 CD LYS B 37 12.737 3.362 6.675 1.00 0.00 C ATOM 1547 CE LYS B 37 12.013 4.661 6.354 1.00 0.00 C ATOM 1548 NZ LYS B 37 12.933 5.825 6.331 1.00 0.00 N ATOM 0 H LYS B 37 15.422 -0.686 5.914 1.00 0.00 H new ATOM 0 HA LYS B 37 13.999 0.768 3.830 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.484 0.885 6.301 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.024 1.688 6.531 1.00 0.00 H new ATOM 0 HG2 LYS B 37 14.337 3.600 5.256 1.00 0.00 H new ATOM 0 HG3 LYS B 37 12.934 2.767 4.617 1.00 0.00 H new ATOM 0 HD2 LYS B 37 12.009 2.600 6.951 1.00 0.00 H new ATOM 0 HD3 LYS B 37 13.385 3.512 7.539 1.00 0.00 H new ATOM 0 HE2 LYS B 37 11.520 4.571 5.386 1.00 0.00 H new ATOM 0 HE3 LYS B 37 11.232 4.832 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 12.551 6.557 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 13.027 6.213 7.292 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 13.867 5.523 5.987 1.00 0.00 H new ATOM 1562 N VAL B 38 15.931 1.792 2.716 1.00 0.00 N ATOM 1563 CA VAL B 38 17.007 2.485 2.027 1.00 0.00 C ATOM 1564 C VAL B 38 17.002 3.958 2.404 1.00 0.00 C ATOM 1565 O VAL B 38 18.043 4.546 2.693 1.00 0.00 O ATOM 1566 CB VAL B 38 16.874 2.347 0.494 1.00 0.00 C ATOM 1567 CG1 VAL B 38 18.050 3.001 -0.219 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.755 0.883 0.099 1.00 0.00 C ATOM 0 H VAL B 38 15.153 1.522 2.114 1.00 0.00 H new ATOM 0 HA VAL B 38 17.948 2.028 2.334 1.00 0.00 H new ATOM 0 HB VAL B 38 15.965 2.864 0.186 1.00 0.00 H new ATOM 0 HG11 VAL B 38 17.930 2.889 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL B 38 18.085 4.061 0.034 1.00 0.00 H new ATOM 0 HG13 VAL B 38 18.978 2.522 0.095 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.662 0.805 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.644 0.344 0.427 1.00 0.00 H new ATOM 0 HG23 VAL B 38 15.873 0.449 0.571 1.00 0.00 H new ATOM 1578 N GLY B 39 15.812 4.537 2.429 1.00 0.00 N ATOM 1579 CA GLY B 39 15.681 5.942 2.735 1.00 0.00 C ATOM 1580 C GLY B 39 14.245 6.404 2.646 1.00 0.00 C ATOM 1581 O GLY B 39 13.326 5.584 2.576 1.00 0.00 O ATOM 0 H GLY B 39 14.933 4.055 2.242 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.063 6.133 3.738 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.293 6.523 2.045 1.00 0.00 H new ATOM 1585 N THR B 40 14.053 7.710 2.646 1.00 0.00 N ATOM 1586 CA THR B 40 12.725 8.289 2.553 1.00 0.00 C ATOM 1587 C THR B 40 12.630 9.211 1.339 1.00 0.00 C ATOM 1588 O THR B 40 13.530 10.016 1.087 1.00 0.00 O ATOM 1589 CB THR B 40 12.388 9.078 3.836 1.00 0.00 C ATOM 1590 OG1 THR B 40 12.518 8.222 4.982 1.00 0.00 O ATOM 1591 CG2 THR B 40 10.976 9.650 3.787 1.00 0.00 C ATOM 0 H THR B 40 14.806 8.395 2.710 1.00 0.00 H new ATOM 0 HA THR B 40 12.006 7.478 2.439 1.00 0.00 H new ATOM 0 HB THR B 40 13.089 9.909 3.910 1.00 0.00 H new ATOM 0 HG1 THR B 40 11.658 8.166 5.448 1.00 0.00 H new ATOM 0 HG21 THR B 40 10.774 10.199 4.707 1.00 0.00 H new ATOM 0 HG22 THR B 40 10.886 10.324 2.935 1.00 0.00 H new ATOM 0 HG23 THR B 40 10.257 8.837 3.684 1.00 0.00 H new ATOM 1599 N ILE B 41 11.554 9.076 0.579 1.00 0.00 N ATOM 1600 CA ILE B 41 11.332 9.923 -0.581 1.00 0.00 C ATOM 1601 C ILE B 41 10.148 10.841 -0.345 1.00 0.00 C ATOM 1602 O ILE B 41 9.260 10.538 0.453 1.00 0.00 O ATOM 1603 CB ILE B 41 11.080 9.112 -1.870 1.00 0.00 C ATOM 1604 CG1 ILE B 41 9.944 8.101 -1.663 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.355 8.419 -2.321 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.569 7.343 -2.917 1.00 0.00 C ATOM 0 H ILE B 41 10.821 8.387 0.746 1.00 0.00 H new ATOM 0 HA ILE B 41 12.245 10.503 -0.718 1.00 0.00 H new ATOM 0 HB ILE B 41 10.774 9.801 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.240 7.388 -0.893 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.065 8.627 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.159 7.852 -3.231 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.125 9.165 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.697 7.742 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.760 6.647 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.242 8.046 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.435 6.788 -3.279 1.00 0.00 H new ATOM 1618 N ASN B 42 10.141 11.965 -1.034 1.00 0.00 N ATOM 1619 CA ASN B 42 9.052 12.916 -0.917 1.00 0.00 C ATOM 1620 C ASN B 42 8.736 13.515 -2.276 1.00 0.00 C ATOM 1621 O ASN B 42 9.636 13.912 -3.016 1.00 0.00 O ATOM 1622 CB ASN B 42 9.398 14.018 0.098 1.00 0.00 C ATOM 1623 CG ASN B 42 10.595 14.862 -0.315 1.00 0.00 C ATOM 1624 OD1 ASN B 42 11.744 14.473 -0.103 1.00 0.00 O ATOM 1625 ND2 ASN B 42 10.338 16.036 -0.873 1.00 0.00 N ATOM 0 H ASN B 42 10.878 12.243 -1.682 1.00 0.00 H new ATOM 0 HA ASN B 42 8.168 12.392 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN B 42 8.532 14.667 0.228 1.00 0.00 H new ATOM 0 HB3 ASN B 42 9.602 13.560 1.066 1.00 0.00 H new ATOM 0 HD21 ASN B 42 11.105 16.651 -1.143 1.00 0.00 H new ATOM 0 HD22 ASN B 42 9.373 16.324 -1.033 1.00 0.00 H new ATOM 1632 N VAL B 43 7.461 13.548 -2.615 1.00 0.00 N ATOM 1633 CA VAL B 43 7.027 14.201 -3.832 1.00 0.00 C ATOM 1634 C VAL B 43 6.448 15.558 -3.476 1.00 0.00 C ATOM 1635 O VAL B 43 5.324 15.660 -2.989 1.00 0.00 O ATOM 1636 CB VAL B 43 5.968 13.376 -4.602 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.491 14.122 -5.838 1.00 0.00 C ATOM 1638 CG2 VAL B 43 6.524 12.015 -4.992 1.00 0.00 C ATOM 0 H VAL B 43 6.710 13.131 -2.065 1.00 0.00 H new ATOM 0 HA VAL B 43 7.893 14.303 -4.485 1.00 0.00 H new ATOM 0 HB VAL B 43 5.115 13.227 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL B 43 4.747 13.521 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.046 15.072 -5.541 1.00 0.00 H new ATOM 0 HG13 VAL B 43 6.337 14.309 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL B 43 5.763 11.452 -5.532 1.00 0.00 H new ATOM 0 HG22 VAL B 43 7.398 12.148 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL B 43 6.811 11.468 -4.094 1.00 0.00 H new ATOM 1648 N SER B 44 7.251 16.584 -3.683 1.00 0.00 N ATOM 1649 CA SER B 44 6.841 17.941 -3.389 1.00 0.00 C ATOM 1650 C SER B 44 6.557 18.680 -4.683 1.00 0.00 C ATOM 1651 O SER B 44 7.473 19.013 -5.434 1.00 0.00 O ATOM 1652 CB SER B 44 7.935 18.648 -2.588 1.00 0.00 C ATOM 1653 OG SER B 44 8.277 17.901 -1.433 1.00 0.00 O ATOM 0 H SER B 44 8.197 16.501 -4.056 1.00 0.00 H new ATOM 0 HA SER B 44 5.930 17.927 -2.791 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.818 18.785 -3.212 1.00 0.00 H new ATOM 0 HB3 SER B 44 7.594 19.641 -2.296 1.00 0.00 H new ATOM 0 HG SER B 44 7.542 17.944 -0.786 1.00 0.00 H new ATOM 1659 N GLN B 45 5.284 18.901 -4.961 1.00 0.00 N ATOM 1660 CA GLN B 45 4.881 19.571 -6.187 1.00 0.00 C ATOM 1661 C GLN B 45 3.971 20.745 -5.876 1.00 0.00 C ATOM 1662 O GLN B 45 3.334 20.785 -4.821 1.00 0.00 O ATOM 1663 CB GLN B 45 4.163 18.598 -7.124 1.00 0.00 C ATOM 1664 CG GLN B 45 5.031 17.444 -7.599 1.00 0.00 C ATOM 1665 CD GLN B 45 6.236 17.903 -8.399 1.00 0.00 C ATOM 1666 OE1 GLN B 45 6.201 18.940 -9.059 1.00 0.00 O ATOM 1667 NE2 GLN B 45 7.307 17.128 -8.350 1.00 0.00 N ATOM 0 H GLN B 45 4.511 18.627 -4.355 1.00 0.00 H new ATOM 0 HA GLN B 45 5.780 19.938 -6.682 1.00 0.00 H new ATOM 0 HB2 GLN B 45 3.289 18.195 -6.613 1.00 0.00 H new ATOM 0 HB3 GLN B 45 3.799 19.147 -7.992 1.00 0.00 H new ATOM 0 HG2 GLN B 45 5.371 16.872 -6.736 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.430 16.771 -8.211 1.00 0.00 H new ATOM 0 HE21 GLN B 45 7.295 16.276 -7.790 1.00 0.00 H new ATOM 0 HE22 GLN B 45 8.145 17.383 -8.872 1.00 0.00 H new ATOM 1676 N SER B 46 3.926 21.698 -6.789 1.00 0.00 N ATOM 1677 CA SER B 46 3.045 22.841 -6.655 1.00 0.00 C ATOM 1678 C SER B 46 1.782 22.623 -7.480 1.00 0.00 C ATOM 1679 O SER B 46 1.853 22.250 -8.651 1.00 0.00 O ATOM 1680 CB SER B 46 3.768 24.111 -7.109 1.00 0.00 C ATOM 1681 OG SER B 46 5.007 24.255 -6.429 1.00 0.00 O ATOM 0 H SER B 46 4.494 21.701 -7.636 1.00 0.00 H new ATOM 0 HA SER B 46 2.762 22.955 -5.609 1.00 0.00 H new ATOM 0 HB2 SER B 46 3.940 24.072 -8.185 1.00 0.00 H new ATOM 0 HB3 SER B 46 3.140 24.981 -6.918 1.00 0.00 H new ATOM 0 HG SER B 46 4.850 24.261 -5.462 1.00 0.00 H new ATOM 1687 N GLY B 47 0.633 22.820 -6.852 1.00 0.00 N ATOM 1688 CA GLY B 47 -0.629 22.695 -7.550 1.00 0.00 C ATOM 1689 C GLY B 47 -0.989 21.259 -7.877 1.00 0.00 C ATOM 1690 O GLY B 47 -0.491 20.320 -7.251 1.00 0.00 O ATOM 0 H GLY B 47 0.552 23.066 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -1.420 23.131 -6.940 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -0.585 23.272 -8.474 1.00 0.00 H new ATOM 1694 N GLY B 48 -1.836 21.093 -8.880 1.00 0.00 N ATOM 1695 CA GLY B 48 -2.346 19.784 -9.224 1.00 0.00 C ATOM 1696 C GLY B 48 -1.542 19.105 -10.311 1.00 0.00 C ATOM 1697 O GLY B 48 -2.104 18.606 -11.286 1.00 0.00 O ATOM 0 H GLY B 48 -2.182 21.851 -9.468 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.348 19.155 -8.334 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -3.382 19.878 -9.550 1.00 0.00 H new ATOM 1701 N GLN B 49 -0.223 19.088 -10.154 1.00 0.00 N ATOM 1702 CA GLN B 49 0.638 18.349 -11.071 1.00 0.00 C ATOM 1703 C GLN B 49 0.462 16.852 -10.844 1.00 0.00 C ATOM 1704 O GLN B 49 0.787 16.030 -11.700 1.00 0.00 O ATOM 1705 CB GLN B 49 2.098 18.772 -10.905 1.00 0.00 C ATOM 1706 CG GLN B 49 2.392 20.143 -11.495 1.00 0.00 C ATOM 1707 CD GLN B 49 3.810 20.608 -11.237 1.00 0.00 C ATOM 1708 OE1 GLN B 49 4.722 20.328 -12.014 1.00 0.00 O ATOM 1709 NE2 GLN B 49 3.998 21.345 -10.157 1.00 0.00 N ATOM 0 H GLN B 49 0.271 19.574 -9.406 1.00 0.00 H new ATOM 0 HA GLN B 49 0.350 18.579 -12.097 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.350 18.778 -9.845 1.00 0.00 H new ATOM 0 HB3 GLN B 49 2.741 18.032 -11.382 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.215 20.115 -12.570 1.00 0.00 H new ATOM 0 HG3 GLN B 49 1.696 20.869 -11.076 1.00 0.00 H new ATOM 0 HE21 GLN B 49 3.214 21.554 -9.539 1.00 0.00 H new ATOM 0 HE22 GLN B 49 4.927 21.706 -9.941 1.00 0.00 H new ATOM 1718 N ILE B 50 -0.043 16.517 -9.665 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.523 15.177 -9.378 1.00 0.00 C ATOM 1720 C ILE B 50 -2.036 15.246 -9.207 1.00 0.00 C ATOM 1721 O ILE B 50 -2.535 15.747 -8.199 1.00 0.00 O ATOM 1722 CB ILE B 50 0.133 14.563 -8.107 1.00 0.00 C ATOM 1723 CG1 ILE B 50 1.576 14.115 -8.384 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.680 13.384 -7.588 1.00 0.00 C ATOM 1725 CD1 ILE B 50 2.556 15.249 -8.582 1.00 0.00 C ATOM 0 H ILE B 50 -0.130 17.167 -8.883 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.250 14.526 -10.208 1.00 0.00 H new ATOM 0 HB ILE B 50 0.151 15.342 -7.345 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.917 13.497 -7.553 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.583 13.485 -9.274 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -0.200 12.974 -6.700 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.686 13.719 -7.335 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.737 12.614 -8.358 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.549 14.842 -8.772 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.244 15.856 -9.432 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.583 15.868 -7.685 1.00 0.00 H new ATOM 1737 N SER B 51 -2.762 14.796 -10.218 1.00 0.00 N ATOM 1738 CA SER B 51 -4.211 14.900 -10.211 1.00 0.00 C ATOM 1739 C SER B 51 -4.845 13.591 -9.759 1.00 0.00 C ATOM 1740 O SER B 51 -5.877 13.585 -9.087 1.00 0.00 O ATOM 1741 CB SER B 51 -4.704 15.276 -11.608 1.00 0.00 C ATOM 1742 OG SER B 51 -4.045 16.445 -12.077 1.00 0.00 O ATOM 0 H SER B 51 -2.372 14.356 -11.052 1.00 0.00 H new ATOM 0 HA SER B 51 -4.504 15.677 -9.505 1.00 0.00 H new ATOM 0 HB2 SER B 51 -4.524 14.450 -12.297 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.781 15.444 -11.586 1.00 0.00 H new ATOM 0 HG SER B 51 -3.574 16.876 -11.333 1.00 0.00 H new ATOM 1748 N SER B 52 -4.214 12.488 -10.126 1.00 0.00 N ATOM 1749 CA SER B 52 -4.723 11.172 -9.793 1.00 0.00 C ATOM 1750 C SER B 52 -3.721 10.412 -8.928 1.00 0.00 C ATOM 1751 O SER B 52 -2.537 10.764 -8.886 1.00 0.00 O ATOM 1752 CB SER B 52 -4.997 10.397 -11.084 1.00 0.00 C ATOM 1753 OG SER B 52 -3.824 10.303 -11.881 1.00 0.00 O ATOM 0 H SER B 52 -3.344 12.481 -10.658 1.00 0.00 H new ATOM 0 HA SER B 52 -5.648 11.280 -9.227 1.00 0.00 H new ATOM 0 HB2 SER B 52 -5.358 9.397 -10.842 1.00 0.00 H new ATOM 0 HB3 SER B 52 -5.786 10.893 -11.649 1.00 0.00 H new ATOM 0 HG SER B 52 -3.529 11.202 -12.136 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.173 9.362 -8.220 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.274 8.470 -7.483 1.00 0.00 C ATOM 1761 C PRO B 53 -2.225 7.858 -8.407 1.00 0.00 C ATOM 1762 O PRO B 53 -1.118 7.530 -7.980 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.205 7.387 -6.929 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.553 8.021 -6.898 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.587 8.973 -8.061 1.00 0.00 C ATOM 0 HA PRO B 53 -2.717 8.991 -6.704 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -4.200 6.500 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -3.894 7.070 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -6.339 7.271 -6.984 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -5.716 8.547 -5.957 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -5.977 8.496 -8.960 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.221 9.836 -7.857 1.00 0.00 H new ATOM 1773 N SER B 54 -2.583 7.725 -9.680 1.00 0.00 N ATOM 1774 CA SER B 54 -1.669 7.224 -10.693 1.00 0.00 C ATOM 1775 C SER B 54 -0.477 8.169 -10.857 1.00 0.00 C ATOM 1776 O SER B 54 0.664 7.721 -10.943 1.00 0.00 O ATOM 1777 CB SER B 54 -2.407 7.055 -12.020 1.00 0.00 C ATOM 1778 OG SER B 54 -3.558 6.240 -11.853 1.00 0.00 O ATOM 0 H SER B 54 -3.510 7.961 -10.034 1.00 0.00 H new ATOM 0 HA SER B 54 -1.290 6.253 -10.375 1.00 0.00 H new ATOM 0 HB2 SER B 54 -2.699 8.031 -12.406 1.00 0.00 H new ATOM 0 HB3 SER B 54 -1.741 6.607 -12.758 1.00 0.00 H new ATOM 0 HG SER B 54 -4.019 6.144 -12.713 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.748 9.477 -10.868 1.00 0.00 N ATOM 1785 CA ASP B 55 0.316 10.481 -10.952 1.00 0.00 C ATOM 1786 C ASP B 55 1.255 10.342 -9.765 1.00 0.00 C ATOM 1787 O ASP B 55 2.479 10.367 -9.908 1.00 0.00 O ATOM 1788 CB ASP B 55 -0.248 11.907 -10.949 1.00 0.00 C ATOM 1789 CG ASP B 55 -1.062 12.246 -12.175 1.00 0.00 C ATOM 1790 OD1 ASP B 55 -0.479 12.366 -13.270 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -2.291 12.424 -12.042 1.00 0.00 O ATOM 0 H ASP B 55 -1.690 9.864 -10.820 1.00 0.00 H new ATOM 0 HA ASP B 55 0.847 10.310 -11.889 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.870 12.039 -10.064 1.00 0.00 H new ATOM 0 HB3 ASP B 55 0.578 12.614 -10.866 1.00 0.00 H new ATOM 1796 N LEU B 56 0.657 10.192 -8.592 1.00 0.00 N ATOM 1797 CA LEU B 56 1.408 10.093 -7.352 1.00 0.00 C ATOM 1798 C LEU B 56 2.307 8.863 -7.357 1.00 0.00 C ATOM 1799 O LEU B 56 3.515 8.965 -7.142 1.00 0.00 O ATOM 1800 CB LEU B 56 0.452 10.033 -6.161 1.00 0.00 C ATOM 1801 CG LEU B 56 1.127 10.080 -4.792 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.920 11.368 -4.646 1.00 0.00 C ATOM 1803 CD2 LEU B 56 0.095 9.957 -3.682 1.00 0.00 C ATOM 0 H LEU B 56 -0.355 10.136 -8.474 1.00 0.00 H new ATOM 0 HA LEU B 56 2.037 10.979 -7.264 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.248 10.865 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.134 9.116 -6.230 1.00 0.00 H new ATOM 0 HG LEU B 56 1.813 9.237 -4.711 1.00 0.00 H new ATOM 0 HD11 LEU B 56 2.398 11.392 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.683 11.416 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU B 56 1.249 12.221 -4.744 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.595 9.993 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.616 10.780 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -0.435 9.010 -3.782 1.00 0.00 H new ATOM 1815 N ARG B 57 1.716 7.707 -7.627 1.00 0.00 N ATOM 1816 CA ARG B 57 2.448 6.446 -7.597 1.00 0.00 C ATOM 1817 C ARG B 57 3.463 6.366 -8.730 1.00 0.00 C ATOM 1818 O ARG B 57 4.446 5.624 -8.641 1.00 0.00 O ATOM 1819 CB ARG B 57 1.478 5.270 -7.655 1.00 0.00 C ATOM 1820 CG ARG B 57 0.572 5.204 -6.440 1.00 0.00 C ATOM 1821 CD ARG B 57 -0.370 4.019 -6.497 1.00 0.00 C ATOM 1822 NE ARG B 57 -1.133 3.893 -5.262 1.00 0.00 N ATOM 1823 CZ ARG B 57 -1.318 2.748 -4.616 1.00 0.00 C ATOM 1824 NH1 ARG B 57 -0.816 1.612 -5.094 1.00 0.00 N ATOM 1825 NH2 ARG B 57 -1.995 2.747 -3.483 1.00 0.00 N ATOM 0 H ARG B 57 0.730 7.615 -7.870 1.00 0.00 H new ATOM 0 HA ARG B 57 3.000 6.398 -6.658 1.00 0.00 H new ATOM 0 HB2 ARG B 57 0.868 5.350 -8.555 1.00 0.00 H new ATOM 0 HB3 ARG B 57 2.043 4.341 -7.734 1.00 0.00 H new ATOM 0 HG2 ARG B 57 1.180 5.140 -5.538 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -0.007 6.125 -6.370 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -1.052 4.134 -7.339 1.00 0.00 H new ATOM 0 HD3 ARG B 57 0.200 3.106 -6.670 1.00 0.00 H new ATOM 0 HE ARG B 57 -1.551 4.737 -4.870 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -0.284 1.616 -5.964 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -0.964 0.737 -4.590 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -2.370 3.620 -3.112 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -2.143 1.873 -2.978 1.00 0.00 H new ATOM 1839 N GLU B 58 3.224 7.134 -9.785 1.00 0.00 N ATOM 1840 CA GLU B 58 4.176 7.249 -10.877 1.00 0.00 C ATOM 1841 C GLU B 58 5.487 7.821 -10.347 1.00 0.00 C ATOM 1842 O GLU B 58 6.562 7.263 -10.572 1.00 0.00 O ATOM 1843 CB GLU B 58 3.611 8.158 -11.971 1.00 0.00 C ATOM 1844 CG GLU B 58 4.338 8.050 -13.297 1.00 0.00 C ATOM 1845 CD GLU B 58 4.178 6.684 -13.928 1.00 0.00 C ATOM 1846 OE1 GLU B 58 3.100 6.417 -14.502 1.00 0.00 O ATOM 1847 OE2 GLU B 58 5.122 5.873 -13.847 1.00 0.00 O ATOM 0 H GLU B 58 2.376 7.687 -9.906 1.00 0.00 H new ATOM 0 HA GLU B 58 4.359 6.262 -11.303 1.00 0.00 H new ATOM 0 HB2 GLU B 58 2.559 7.915 -12.124 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.653 9.192 -11.628 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.959 8.810 -13.980 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.398 8.257 -13.146 1.00 0.00 H new ATOM 1854 N LYS B 59 5.379 8.922 -9.609 1.00 0.00 N ATOM 1855 CA LYS B 59 6.542 9.563 -9.008 1.00 0.00 C ATOM 1856 C LYS B 59 7.108 8.727 -7.869 1.00 0.00 C ATOM 1857 O LYS B 59 8.316 8.700 -7.658 1.00 0.00 O ATOM 1858 CB LYS B 59 6.191 10.960 -8.498 1.00 0.00 C ATOM 1859 CG LYS B 59 6.669 12.077 -9.410 1.00 0.00 C ATOM 1860 CD LYS B 59 6.079 11.960 -10.804 1.00 0.00 C ATOM 1861 CE LYS B 59 6.572 13.075 -11.708 1.00 0.00 C ATOM 1862 NZ LYS B 59 8.026 12.972 -11.997 1.00 0.00 N ATOM 0 H LYS B 59 4.494 9.390 -9.413 1.00 0.00 H new ATOM 0 HA LYS B 59 7.302 9.650 -9.784 1.00 0.00 H new ATOM 0 HB2 LYS B 59 5.110 11.034 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.628 11.097 -7.509 1.00 0.00 H new ATOM 0 HG2 LYS B 59 6.395 13.040 -8.979 1.00 0.00 H new ATOM 0 HG3 LYS B 59 7.757 12.054 -9.473 1.00 0.00 H new ATOM 0 HD2 LYS B 59 6.347 10.995 -11.234 1.00 0.00 H new ATOM 0 HD3 LYS B 59 4.991 11.992 -10.744 1.00 0.00 H new ATOM 0 HE2 LYS B 59 6.016 13.051 -12.645 1.00 0.00 H new ATOM 0 HE3 LYS B 59 6.365 14.037 -11.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 8.334 13.809 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 8.555 12.919 -11.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 8.209 12.116 -12.558 1.00 0.00 H new ATOM 1876 N LEU B 60 6.234 8.051 -7.137 1.00 0.00 N ATOM 1877 CA LEU B 60 6.668 7.186 -6.046 1.00 0.00 C ATOM 1878 C LEU B 60 7.609 6.105 -6.564 1.00 0.00 C ATOM 1879 O LEU B 60 8.677 5.884 -6.001 1.00 0.00 O ATOM 1880 CB LEU B 60 5.466 6.554 -5.344 1.00 0.00 C ATOM 1881 CG LEU B 60 4.544 7.543 -4.626 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.338 6.825 -4.046 1.00 0.00 C ATOM 1883 CD2 LEU B 60 5.301 8.279 -3.531 1.00 0.00 C ATOM 0 H LEU B 60 5.224 8.083 -7.277 1.00 0.00 H new ATOM 0 HA LEU B 60 7.206 7.797 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU B 60 4.881 6.004 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.829 5.826 -4.618 1.00 0.00 H new ATOM 0 HG LEU B 60 4.192 8.274 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU B 60 2.695 7.545 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU B 60 2.781 6.342 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU B 60 3.672 6.072 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.630 8.978 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.682 7.560 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.134 8.827 -3.970 1.00 0.00 H new ATOM 1895 N SER B 61 7.217 5.450 -7.649 1.00 0.00 N ATOM 1896 CA SER B 61 8.062 4.441 -8.273 1.00 0.00 C ATOM 1897 C SER B 61 9.304 5.092 -8.879 1.00 0.00 C ATOM 1898 O SER B 61 10.410 4.560 -8.785 1.00 0.00 O ATOM 1899 CB SER B 61 7.275 3.689 -9.347 1.00 0.00 C ATOM 1900 OG SER B 61 6.122 3.072 -8.792 1.00 0.00 O ATOM 0 H SER B 61 6.322 5.599 -8.114 1.00 0.00 H new ATOM 0 HA SER B 61 8.382 3.729 -7.512 1.00 0.00 H new ATOM 0 HB2 SER B 61 6.978 4.379 -10.137 1.00 0.00 H new ATOM 0 HB3 SER B 61 7.911 2.933 -9.807 1.00 0.00 H new ATOM 0 HG SER B 61 6.256 2.102 -8.754 1.00 0.00 H new ATOM 1906 N GLU B 62 9.104 6.262 -9.476 1.00 0.00 N ATOM 1907 CA GLU B 62 10.180 7.025 -10.097 1.00 0.00 C ATOM 1908 C GLU B 62 11.294 7.330 -9.096 1.00 0.00 C ATOM 1909 O GLU B 62 12.467 7.029 -9.340 1.00 0.00 O ATOM 1910 CB GLU B 62 9.605 8.330 -10.652 1.00 0.00 C ATOM 1911 CG GLU B 62 10.626 9.247 -11.300 1.00 0.00 C ATOM 1912 CD GLU B 62 10.016 10.576 -11.693 1.00 0.00 C ATOM 1913 OE1 GLU B 62 9.332 10.639 -12.737 1.00 0.00 O ATOM 1914 OE2 GLU B 62 10.203 11.563 -10.956 1.00 0.00 O ATOM 0 H GLU B 62 8.189 6.709 -9.543 1.00 0.00 H new ATOM 0 HA GLU B 62 10.612 6.431 -10.903 1.00 0.00 H new ATOM 0 HB2 GLU B 62 8.836 8.089 -11.386 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.115 8.869 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU B 62 11.453 9.416 -10.610 1.00 0.00 H new ATOM 0 HG3 GLU B 62 11.042 8.762 -12.183 1.00 0.00 H new ATOM 1921 N LEU B 63 10.921 7.914 -7.964 1.00 0.00 N ATOM 1922 CA LEU B 63 11.890 8.345 -6.967 1.00 0.00 C ATOM 1923 C LEU B 63 12.465 7.151 -6.208 1.00 0.00 C ATOM 1924 O LEU B 63 13.625 7.173 -5.793 1.00 0.00 O ATOM 1925 CB LEU B 63 11.254 9.333 -5.985 1.00 0.00 C ATOM 1926 CG LEU B 63 10.514 10.517 -6.623 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.035 11.478 -5.549 1.00 0.00 C ATOM 1928 CD2 LEU B 63 11.397 11.240 -7.631 1.00 0.00 C ATOM 0 H LEU B 63 9.950 8.100 -7.714 1.00 0.00 H new ATOM 0 HA LEU B 63 12.704 8.845 -7.491 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.554 8.788 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.035 9.724 -5.333 1.00 0.00 H new ATOM 0 HG LEU B 63 9.648 10.127 -7.158 1.00 0.00 H new ATOM 0 HD11 LEU B 63 9.512 12.313 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.358 10.958 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU B 63 10.891 11.854 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU B 63 10.845 12.073 -8.066 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.288 11.617 -7.129 1.00 0.00 H new ATOM 0 HD23 LEU B 63 11.690 10.548 -8.420 1.00 0.00 H new ATOM 1940 N ALA B 64 11.656 6.111 -6.026 1.00 0.00 N ATOM 1941 CA ALA B 64 12.114 4.895 -5.362 1.00 0.00 C ATOM 1942 C ALA B 64 13.171 4.199 -6.206 1.00 0.00 C ATOM 1943 O ALA B 64 14.163 3.687 -5.686 1.00 0.00 O ATOM 1944 CB ALA B 64 10.948 3.956 -5.089 1.00 0.00 C ATOM 0 H ALA B 64 10.682 6.086 -6.328 1.00 0.00 H new ATOM 0 HA ALA B 64 12.558 5.173 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.314 3.056 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.222 4.455 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.472 3.683 -6.031 1.00 0.00 H new ATOM 1950 N ASP B 65 12.953 4.201 -7.514 1.00 0.00 N ATOM 1951 CA ASP B 65 13.910 3.640 -8.461 1.00 0.00 C ATOM 1952 C ASP B 65 15.215 4.427 -8.432 1.00 0.00 C ATOM 1953 O ASP B 65 16.301 3.852 -8.507 1.00 0.00 O ATOM 1954 CB ASP B 65 13.324 3.654 -9.874 1.00 0.00 C ATOM 1955 CG ASP B 65 14.313 3.190 -10.921 1.00 0.00 C ATOM 1956 OD1 ASP B 65 14.476 1.963 -11.089 1.00 0.00 O ATOM 1957 OD2 ASP B 65 14.928 4.052 -11.586 1.00 0.00 O ATOM 0 H ASP B 65 12.115 4.588 -7.947 1.00 0.00 H new ATOM 0 HA ASP B 65 14.117 2.610 -8.172 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.442 3.014 -9.904 1.00 0.00 H new ATOM 0 HB3 ASP B 65 12.993 4.664 -10.115 1.00 0.00 H new ATOM 1962 N ALA B 66 15.094 5.746 -8.316 1.00 0.00 N ATOM 1963 CA ALA B 66 16.255 6.625 -8.235 1.00 0.00 C ATOM 1964 C ALA B 66 17.100 6.297 -7.008 1.00 0.00 C ATOM 1965 O ALA B 66 18.330 6.270 -7.076 1.00 0.00 O ATOM 1966 CB ALA B 66 15.812 8.081 -8.203 1.00 0.00 C ATOM 0 H ALA B 66 14.198 6.231 -8.276 1.00 0.00 H new ATOM 0 HA ALA B 66 16.869 6.465 -9.121 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.688 8.727 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.253 8.311 -9.110 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.177 8.249 -7.333 1.00 0.00 H new ATOM 1972 N LYS B 67 16.431 6.045 -5.887 1.00 0.00 N ATOM 1973 CA LYS B 67 17.112 5.649 -4.660 1.00 0.00 C ATOM 1974 C LYS B 67 17.708 4.255 -4.806 1.00 0.00 C ATOM 1975 O LYS B 67 18.888 4.035 -4.532 1.00 0.00 O ATOM 1976 CB LYS B 67 16.141 5.661 -3.476 1.00 0.00 C ATOM 1977 CG LYS B 67 15.618 7.040 -3.115 1.00 0.00 C ATOM 1978 CD LYS B 67 16.735 7.949 -2.627 1.00 0.00 C ATOM 1979 CE LYS B 67 16.192 9.246 -2.047 1.00 0.00 C ATOM 1980 NZ LYS B 67 15.505 10.081 -3.067 1.00 0.00 N ATOM 0 H LYS B 67 15.416 6.108 -5.804 1.00 0.00 H new ATOM 0 HA LYS B 67 17.912 6.366 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.296 5.013 -3.707 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.641 5.235 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.137 7.487 -3.985 1.00 0.00 H new ATOM 0 HG3 LYS B 67 14.856 6.950 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.322 7.430 -1.870 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.409 8.174 -3.454 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.495 9.016 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS B 67 17.011 9.815 -1.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 14.967 10.835 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 16.211 10.505 -3.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 14.855 9.488 -3.621 1.00 0.00 H new ATOM 1994 N GLY B 68 16.880 3.323 -5.248 1.00 0.00 N ATOM 1995 CA GLY B 68 17.305 1.947 -5.376 1.00 0.00 C ATOM 1996 C GLY B 68 16.462 1.019 -4.527 1.00 0.00 C ATOM 1997 O GLY B 68 16.986 0.133 -3.854 1.00 0.00 O ATOM 0 H GLY B 68 15.913 3.497 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.242 1.642 -6.421 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.351 1.860 -5.081 1.00 0.00 H new ATOM 2001 N GLY B 69 15.155 1.236 -4.545 1.00 0.00 N ATOM 2002 CA GLY B 69 14.257 0.400 -3.777 1.00 0.00 C ATOM 2003 C GLY B 69 13.270 -0.343 -4.651 1.00 0.00 C ATOM 2004 O GLY B 69 13.059 0.016 -5.811 1.00 0.00 O ATOM 0 H GLY B 69 14.700 1.977 -5.078 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.839 -0.318 -3.199 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.712 1.017 -3.063 1.00 0.00 H new ATOM 2008 N LYS B 70 12.664 -1.380 -4.091 1.00 0.00 N ATOM 2009 CA LYS B 70 11.694 -2.190 -4.816 1.00 0.00 C ATOM 2010 C LYS B 70 10.280 -1.892 -4.330 1.00 0.00 C ATOM 2011 O LYS B 70 9.337 -1.801 -5.120 1.00 0.00 O ATOM 2012 CB LYS B 70 11.994 -3.678 -4.626 1.00 0.00 C ATOM 2013 CG LYS B 70 13.347 -4.111 -5.164 1.00 0.00 C ATOM 2014 CD LYS B 70 13.605 -5.582 -4.884 1.00 0.00 C ATOM 2015 CE LYS B 70 14.905 -6.058 -5.514 1.00 0.00 C ATOM 2016 NZ LYS B 70 14.866 -5.981 -6.999 1.00 0.00 N ATOM 0 H LYS B 70 12.828 -1.682 -3.131 1.00 0.00 H new ATOM 0 HA LYS B 70 11.768 -1.941 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS B 70 11.945 -3.915 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS B 70 11.216 -4.261 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.389 -3.930 -6.238 1.00 0.00 H new ATOM 0 HG3 LYS B 70 14.132 -3.508 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.642 -5.746 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.776 -6.176 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS B 70 15.731 -5.453 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS B 70 15.100 -7.086 -5.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 15.658 -6.525 -7.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 13.968 -6.376 -7.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 14.944 -4.988 -7.297 1.00 0.00 H new ATOM 2030 N TYR B 71 10.145 -1.737 -3.022 1.00 0.00 N ATOM 2031 CA TYR B 71 8.848 -1.510 -2.407 1.00 0.00 C ATOM 2032 C TYR B 71 8.844 -0.165 -1.699 1.00 0.00 C ATOM 2033 O TYR B 71 9.889 0.299 -1.237 1.00 0.00 O ATOM 2034 CB TYR B 71 8.530 -2.623 -1.400 1.00 0.00 C ATOM 2035 CG TYR B 71 8.661 -4.022 -1.965 1.00 0.00 C ATOM 2036 CD1 TYR B 71 7.616 -4.611 -2.667 1.00 0.00 C ATOM 2037 CD2 TYR B 71 9.831 -4.750 -1.797 1.00 0.00 C ATOM 2038 CE1 TYR B 71 7.736 -5.887 -3.184 1.00 0.00 C ATOM 2039 CE2 TYR B 71 9.959 -6.025 -2.313 1.00 0.00 C ATOM 2040 CZ TYR B 71 8.910 -6.590 -3.006 1.00 0.00 C ATOM 2041 OH TYR B 71 9.037 -7.862 -3.522 1.00 0.00 O ATOM 0 H TYR B 71 10.923 -1.765 -2.363 1.00 0.00 H new ATOM 0 HA TYR B 71 8.086 -1.514 -3.187 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.196 -2.525 -0.543 1.00 0.00 H new ATOM 0 HB3 TYR B 71 7.514 -2.485 -1.031 1.00 0.00 H new ATOM 0 HD1 TYR B 71 6.696 -4.063 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR B 71 10.655 -4.312 -1.254 1.00 0.00 H new ATOM 0 HE1 TYR B 71 6.914 -6.332 -3.725 1.00 0.00 H new ATOM 0 HE2 TYR B 71 10.877 -6.577 -2.174 1.00 0.00 H new ATOM 0 HH TYR B 71 9.926 -8.215 -3.308 1.00 0.00 H new ATOM 2051 N TYR B 72 7.683 0.464 -1.623 1.00 0.00 N ATOM 2052 CA TYR B 72 7.561 1.736 -0.933 1.00 0.00 C ATOM 2053 C TYR B 72 6.346 1.735 -0.014 1.00 0.00 C ATOM 2054 O TYR B 72 5.416 0.942 -0.189 1.00 0.00 O ATOM 2055 CB TYR B 72 7.476 2.903 -1.930 1.00 0.00 C ATOM 2056 CG TYR B 72 6.255 2.879 -2.828 1.00 0.00 C ATOM 2057 CD1 TYR B 72 5.053 3.439 -2.414 1.00 0.00 C ATOM 2058 CD2 TYR B 72 6.306 2.298 -4.088 1.00 0.00 C ATOM 2059 CE1 TYR B 72 3.940 3.421 -3.228 1.00 0.00 C ATOM 2060 CE2 TYR B 72 5.195 2.278 -4.910 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.014 2.838 -4.474 1.00 0.00 C ATOM 2062 OH TYR B 72 2.901 2.813 -5.284 1.00 0.00 O ATOM 0 H TYR B 72 6.815 0.116 -2.029 1.00 0.00 H new ATOM 0 HA TYR B 72 8.457 1.873 -0.327 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.483 3.840 -1.373 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.370 2.896 -2.554 1.00 0.00 H new ATOM 0 HD1 TYR B 72 4.989 3.896 -1.438 1.00 0.00 H new ATOM 0 HD2 TYR B 72 7.229 1.854 -4.431 1.00 0.00 H new ATOM 0 HE1 TYR B 72 3.014 3.862 -2.890 1.00 0.00 H new ATOM 0 HE2 TYR B 72 5.252 1.826 -5.889 1.00 0.00 H new ATOM 0 HH TYR B 72 3.121 2.367 -6.129 1.00 0.00 H new ATOM 2072 N HIS B 73 6.365 2.618 0.968 1.00 0.00 N ATOM 2073 CA HIS B 73 5.254 2.763 1.895 1.00 0.00 C ATOM 2074 C HIS B 73 4.981 4.236 2.165 1.00 0.00 C ATOM 2075 O HIS B 73 5.816 4.932 2.735 1.00 0.00 O ATOM 2076 CB HIS B 73 5.548 2.028 3.211 1.00 0.00 C ATOM 2077 CG HIS B 73 4.552 2.302 4.302 1.00 0.00 C ATOM 2078 ND1 HIS B 73 4.916 2.773 5.540 1.00 0.00 N ATOM 2079 CD2 HIS B 73 3.203 2.184 4.332 1.00 0.00 C ATOM 2080 CE1 HIS B 73 3.840 2.935 6.284 1.00 0.00 C ATOM 2081 NE2 HIS B 73 2.780 2.587 5.577 1.00 0.00 N ATOM 0 H HIS B 73 7.144 3.251 1.146 1.00 0.00 H new ATOM 0 HA HIS B 73 4.368 2.318 1.442 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.574 0.956 3.018 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.541 2.313 3.560 1.00 0.00 H new ATOM 0 HD1 HIS B 73 5.872 2.967 5.838 1.00 0.00 H new ATOM 0 HD2 HIS B 73 2.574 1.837 3.525 1.00 0.00 H new ATOM 0 HE1 HIS B 73 3.827 3.293 7.303 1.00 0.00 H new ATOM 2090 N ILE B 74 3.818 4.706 1.742 1.00 0.00 N ATOM 2091 CA ILE B 74 3.418 6.083 1.992 1.00 0.00 C ATOM 2092 C ILE B 74 3.129 6.284 3.477 1.00 0.00 C ATOM 2093 O ILE B 74 2.308 5.569 4.058 1.00 0.00 O ATOM 2094 CB ILE B 74 2.162 6.463 1.179 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.375 6.167 -0.309 1.00 0.00 C ATOM 2096 CG2 ILE B 74 1.825 7.935 1.384 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.143 6.404 -1.156 1.00 0.00 C ATOM 0 H ILE B 74 3.134 4.155 1.224 1.00 0.00 H new ATOM 0 HA ILE B 74 4.242 6.726 1.681 1.00 0.00 H new ATOM 0 HB ILE B 74 1.325 5.861 1.534 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.188 6.790 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.690 5.130 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.937 8.189 0.805 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.634 8.121 2.441 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.662 8.549 1.053 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.368 6.174 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.334 5.761 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE B 74 0.839 7.447 -1.072 1.00 0.00 H new ATOM 2109 N ILE B 75 3.814 7.235 4.095 1.00 0.00 N ATOM 2110 CA ILE B 75 3.596 7.524 5.505 1.00 0.00 C ATOM 2111 C ILE B 75 2.874 8.848 5.692 1.00 0.00 C ATOM 2112 O ILE B 75 2.196 9.056 6.699 1.00 0.00 O ATOM 2113 CB ILE B 75 4.914 7.547 6.310 1.00 0.00 C ATOM 2114 CG1 ILE B 75 5.954 8.446 5.631 1.00 0.00 C ATOM 2115 CG2 ILE B 75 5.448 6.136 6.483 1.00 0.00 C ATOM 2116 CD1 ILE B 75 7.244 8.582 6.414 1.00 0.00 C ATOM 0 H ILE B 75 4.521 7.817 3.646 1.00 0.00 H new ATOM 0 HA ILE B 75 2.974 6.714 5.887 1.00 0.00 H new ATOM 0 HB ILE B 75 4.709 7.962 7.297 1.00 0.00 H new ATOM 0 HG12 ILE B 75 6.179 8.044 4.643 1.00 0.00 H new ATOM 0 HG13 ILE B 75 5.524 9.436 5.482 1.00 0.00 H new ATOM 0 HG21 ILE B 75 6.377 6.166 7.052 1.00 0.00 H new ATOM 0 HG22 ILE B 75 4.714 5.532 7.017 1.00 0.00 H new ATOM 0 HG23 ILE B 75 5.636 5.696 5.504 1.00 0.00 H new ATOM 0 HD11 ILE B 75 7.931 9.232 5.873 1.00 0.00 H new ATOM 0 HD12 ILE B 75 7.032 9.013 7.393 1.00 0.00 H new ATOM 0 HD13 ILE B 75 7.698 7.599 6.541 1.00 0.00 H new ATOM 2128 N ALA B 76 3.012 9.743 4.724 1.00 0.00 N ATOM 2129 CA ALA B 76 2.369 11.041 4.814 1.00 0.00 C ATOM 2130 C ALA B 76 2.058 11.613 3.437 1.00 0.00 C ATOM 2131 O ALA B 76 2.844 12.380 2.880 1.00 0.00 O ATOM 2132 CB ALA B 76 3.231 12.013 5.610 1.00 0.00 C ATOM 0 H ALA B 76 3.559 9.594 3.876 1.00 0.00 H new ATOM 0 HA ALA B 76 1.422 10.901 5.336 1.00 0.00 H new ATOM 0 HB1 ALA B 76 2.732 12.980 5.666 1.00 0.00 H new ATOM 0 HB2 ALA B 76 3.383 11.624 6.617 1.00 0.00 H new ATOM 0 HB3 ALA B 76 4.196 12.131 5.117 1.00 0.00 H new ATOM 2138 N ALA B 77 0.932 11.201 2.874 1.00 0.00 N ATOM 2139 CA ALA B 77 0.419 11.822 1.665 1.00 0.00 C ATOM 2140 C ALA B 77 -0.450 13.006 2.059 1.00 0.00 C ATOM 2141 O ALA B 77 -1.650 12.861 2.295 1.00 0.00 O ATOM 2142 CB ALA B 77 -0.369 10.822 0.830 1.00 0.00 C ATOM 0 H ALA B 77 0.357 10.440 3.236 1.00 0.00 H new ATOM 0 HA ALA B 77 1.251 12.167 1.051 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.742 11.313 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA B 77 0.279 9.992 0.548 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -1.209 10.444 1.412 1.00 0.00 H new ATOM 2148 N ARG B 78 0.166 14.170 2.163 1.00 0.00 N ATOM 2149 CA ARG B 78 -0.497 15.320 2.744 1.00 0.00 C ATOM 2150 C ARG B 78 -0.517 16.493 1.778 1.00 0.00 C ATOM 2151 O ARG B 78 0.214 16.516 0.785 1.00 0.00 O ATOM 2152 CB ARG B 78 0.208 15.716 4.044 1.00 0.00 C ATOM 2153 CG ARG B 78 1.580 16.336 3.825 1.00 0.00 C ATOM 2154 CD ARG B 78 2.446 16.243 5.069 1.00 0.00 C ATOM 2155 NE ARG B 78 1.783 16.767 6.263 1.00 0.00 N ATOM 2156 CZ ARG B 78 2.429 17.307 7.295 1.00 0.00 C ATOM 2157 NH1 ARG B 78 3.747 17.465 7.252 1.00 0.00 N ATOM 2158 NH2 ARG B 78 1.750 17.698 8.365 1.00 0.00 N ATOM 0 H ARG B 78 1.122 14.342 1.853 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.531 15.049 2.958 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -0.419 16.423 4.587 1.00 0.00 H new ATOM 0 HB3 ARG B 78 0.313 14.833 4.675 1.00 0.00 H new ATOM 0 HG2 ARG B 78 2.078 15.832 2.997 1.00 0.00 H new ATOM 0 HG3 ARG B 78 1.465 17.382 3.540 1.00 0.00 H new ATOM 0 HD2 ARG B 78 2.719 15.202 5.239 1.00 0.00 H new ATOM 0 HD3 ARG B 78 3.372 16.793 4.903 1.00 0.00 H new ATOM 0 HE ARG B 78 0.765 16.716 6.308 1.00 0.00 H new ATOM 0 HH11 ARG B 78 4.269 17.172 6.426 1.00 0.00 H new ATOM 0 HH12 ARG B 78 4.237 17.879 8.045 1.00 0.00 H new ATOM 0 HH21 ARG B 78 0.737 17.585 8.396 1.00 0.00 H new ATOM 0 HH22 ARG B 78 2.241 18.112 9.157 1.00 0.00 H new ATOM 2172 N GLU B 79 -1.353 17.467 2.082 1.00 0.00 N ATOM 2173 CA GLU B 79 -1.469 18.655 1.266 1.00 0.00 C ATOM 2174 C GLU B 79 -0.741 19.812 1.941 1.00 0.00 C ATOM 2175 O GLU B 79 -0.730 19.919 3.168 1.00 0.00 O ATOM 2176 CB GLU B 79 -2.944 18.992 1.035 1.00 0.00 C ATOM 2177 CG GLU B 79 -3.175 20.163 0.097 1.00 0.00 C ATOM 2178 CD GLU B 79 -4.635 20.332 -0.259 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -5.431 20.693 0.632 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -4.998 20.099 -1.431 1.00 0.00 O ATOM 0 H GLU B 79 -1.966 17.456 2.897 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.008 18.476 0.294 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -3.447 18.113 0.632 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -3.409 19.213 1.996 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -2.809 21.077 0.564 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -2.595 20.016 -0.814 1.00 0.00 H new ATOM 2187 N HIS B 80 -0.133 20.661 1.136 1.00 0.00 N ATOM 2188 CA HIS B 80 0.692 21.751 1.636 1.00 0.00 C ATOM 2189 C HIS B 80 0.110 23.080 1.164 1.00 0.00 C ATOM 2190 O HIS B 80 0.809 23.910 0.580 1.00 0.00 O ATOM 2191 CB HIS B 80 2.121 21.556 1.122 1.00 0.00 C ATOM 2192 CG HIS B 80 3.168 22.418 1.768 1.00 0.00 C ATOM 2193 ND1 HIS B 80 4.502 22.338 1.434 1.00 0.00 N ATOM 2194 CD2 HIS B 80 3.079 23.374 2.722 1.00 0.00 C ATOM 2195 CE1 HIS B 80 5.186 23.206 2.152 1.00 0.00 C ATOM 2196 NE2 HIS B 80 4.348 23.852 2.942 1.00 0.00 N ATOM 0 H HIS B 80 -0.195 20.618 0.119 1.00 0.00 H new ATOM 0 HA HIS B 80 0.708 21.757 2.726 1.00 0.00 H new ATOM 0 HB2 HIS B 80 2.399 20.511 1.263 1.00 0.00 H new ATOM 0 HB3 HIS B 80 2.131 21.747 0.049 1.00 0.00 H new ATOM 0 HD1 HIS B 80 4.899 21.705 0.739 1.00 0.00 H new ATOM 0 HD2 HIS B 80 2.177 23.701 3.218 1.00 0.00 H new ATOM 0 HE1 HIS B 80 6.253 23.363 2.103 1.00 0.00 H new ATOM 2205 N GLY B 81 -1.182 23.259 1.408 1.00 0.00 N ATOM 2206 CA GLY B 81 -1.867 24.448 0.948 1.00 0.00 C ATOM 2207 C GLY B 81 -2.106 24.397 -0.545 1.00 0.00 C ATOM 2208 O GLY B 81 -2.902 23.581 -1.016 1.00 0.00 O ATOM 0 H GLY B 81 -1.768 22.598 1.918 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -2.820 24.547 1.469 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -1.276 25.330 1.195 1.00 0.00 H new ATOM 2212 N PRO B 82 -1.429 25.256 -1.318 1.00 0.00 N ATOM 2213 CA PRO B 82 -1.447 25.202 -2.775 1.00 0.00 C ATOM 2214 C PRO B 82 -0.447 24.178 -3.310 1.00 0.00 C ATOM 2215 O PRO B 82 -0.368 23.938 -4.513 1.00 0.00 O ATOM 2216 CB PRO B 82 -1.037 26.621 -3.201 1.00 0.00 C ATOM 2217 CG PRO B 82 -0.815 27.393 -1.934 1.00 0.00 C ATOM 2218 CD PRO B 82 -0.623 26.381 -0.844 1.00 0.00 C ATOM 0 HA PRO B 82 -2.420 24.900 -3.163 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -0.131 26.599 -3.807 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -1.815 27.085 -3.808 1.00 0.00 H new ATOM 0 HG2 PRO B 82 0.059 28.039 -2.022 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -1.667 28.038 -1.719 1.00 0.00 H new ATOM 0 HD2 PRO B 82 0.425 26.108 -0.723 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -0.969 26.752 0.121 1.00 0.00 H new ATOM 2226 N ASN B 83 0.327 23.588 -2.409 1.00 0.00 N ATOM 2227 CA ASN B 83 1.321 22.591 -2.788 1.00 0.00 C ATOM 2228 C ASN B 83 0.912 21.217 -2.277 1.00 0.00 C ATOM 2229 O ASN B 83 -0.067 21.085 -1.542 1.00 0.00 O ATOM 2230 CB ASN B 83 2.706 22.954 -2.238 1.00 0.00 C ATOM 2231 CG ASN B 83 3.264 24.226 -2.844 1.00 0.00 C ATOM 2232 OD1 ASN B 83 3.921 24.197 -3.884 1.00 0.00 O ATOM 2233 ND2 ASN B 83 3.028 25.347 -2.187 1.00 0.00 N ATOM 0 H ASN B 83 0.286 23.783 -1.409 1.00 0.00 H new ATOM 0 HA ASN B 83 1.375 22.571 -3.876 1.00 0.00 H new ATOM 0 HB2 ASN B 83 2.643 23.070 -1.156 1.00 0.00 H new ATOM 0 HB3 ASN B 83 3.395 22.132 -2.431 1.00 0.00 H new ATOM 0 HD21 ASN B 83 3.395 26.231 -2.539 1.00 0.00 H new ATOM 0 HD22 ASN B 83 2.478 25.329 -1.328 1.00 0.00 H new ATOM 2240 N PHE B 84 1.662 20.199 -2.662 1.00 0.00 N ATOM 2241 CA PHE B 84 1.389 18.839 -2.223 1.00 0.00 C ATOM 2242 C PHE B 84 2.683 18.167 -1.766 1.00 0.00 C ATOM 2243 O PHE B 84 3.727 18.331 -2.402 1.00 0.00 O ATOM 2244 CB PHE B 84 0.741 18.045 -3.362 1.00 0.00 C ATOM 2245 CG PHE B 84 0.237 16.689 -2.952 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -0.986 16.554 -2.314 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.986 15.550 -3.204 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.452 15.310 -1.935 1.00 0.00 C ATOM 2249 CE2 PHE B 84 0.525 14.304 -2.826 1.00 0.00 C ATOM 2250 CZ PHE B 84 -0.696 14.183 -2.191 1.00 0.00 C ATOM 0 H PHE B 84 2.468 20.288 -3.280 1.00 0.00 H new ATOM 0 HA PHE B 84 0.698 18.865 -1.380 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.090 18.623 -3.767 1.00 0.00 H new ATOM 0 HB3 PHE B 84 1.467 17.924 -4.166 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -1.582 17.432 -2.111 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.941 15.638 -3.701 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.407 15.219 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE B 84 1.119 13.425 -3.027 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.058 13.209 -1.896 1.00 0.00 H new ATOM 2260 N GLU B 85 2.610 17.426 -0.660 1.00 0.00 N ATOM 2261 CA GLU B 85 3.776 16.745 -0.105 1.00 0.00 C ATOM 2262 C GLU B 85 3.472 15.267 0.114 1.00 0.00 C ATOM 2263 O GLU B 85 2.686 14.912 0.995 1.00 0.00 O ATOM 2264 CB GLU B 85 4.183 17.361 1.238 1.00 0.00 C ATOM 2265 CG GLU B 85 4.409 18.861 1.205 1.00 0.00 C ATOM 2266 CD GLU B 85 5.661 19.276 0.462 1.00 0.00 C ATOM 2267 OE1 GLU B 85 6.673 18.548 0.526 1.00 0.00 O ATOM 2268 OE2 GLU B 85 5.642 20.351 -0.176 1.00 0.00 O ATOM 0 H GLU B 85 1.750 17.283 -0.130 1.00 0.00 H new ATOM 0 HA GLU B 85 4.593 16.858 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU B 85 3.409 17.140 1.973 1.00 0.00 H new ATOM 0 HB3 GLU B 85 5.097 16.877 1.582 1.00 0.00 H new ATOM 0 HG2 GLU B 85 3.547 19.338 0.739 1.00 0.00 H new ATOM 0 HG3 GLU B 85 4.465 19.233 2.228 1.00 0.00 H new ATOM 2275 N ALA B 86 4.078 14.410 -0.684 1.00 0.00 N ATOM 2276 CA ALA B 86 3.902 12.976 -0.515 1.00 0.00 C ATOM 2277 C ALA B 86 5.159 12.342 0.057 1.00 0.00 C ATOM 2278 O ALA B 86 6.144 12.151 -0.652 1.00 0.00 O ATOM 2279 CB ALA B 86 3.535 12.323 -1.832 1.00 0.00 C ATOM 0 H ALA B 86 4.694 14.677 -1.452 1.00 0.00 H new ATOM 0 HA ALA B 86 3.086 12.817 0.189 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.408 11.251 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.604 12.751 -2.203 1.00 0.00 H new ATOM 0 HB3 ALA B 86 4.329 12.497 -2.558 1.00 0.00 H new ATOM 2285 N VAL B 87 5.125 12.030 1.342 1.00 0.00 N ATOM 2286 CA VAL B 87 6.266 11.427 2.011 1.00 0.00 C ATOM 2287 C VAL B 87 6.096 9.911 2.087 1.00 0.00 C ATOM 2288 O VAL B 87 5.095 9.414 2.615 1.00 0.00 O ATOM 2289 CB VAL B 87 6.453 12.002 3.431 1.00 0.00 C ATOM 2290 CG1 VAL B 87 7.729 11.474 4.067 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.462 13.525 3.396 1.00 0.00 C ATOM 0 H VAL B 87 4.317 12.185 1.945 1.00 0.00 H new ATOM 0 HA VAL B 87 7.155 11.662 1.426 1.00 0.00 H new ATOM 0 HB VAL B 87 5.611 11.676 4.041 1.00 0.00 H new ATOM 0 HG11 VAL B 87 7.838 11.894 5.067 1.00 0.00 H new ATOM 0 HG12 VAL B 87 7.680 10.387 4.133 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.585 11.762 3.457 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.595 13.911 4.407 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.281 13.870 2.765 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.516 13.885 2.991 1.00 0.00 H new ATOM 2301 N ALA B 88 7.067 9.183 1.555 1.00 0.00 N ATOM 2302 CA ALA B 88 7.005 7.731 1.525 1.00 0.00 C ATOM 2303 C ALA B 88 8.355 7.115 1.878 1.00 0.00 C ATOM 2304 O ALA B 88 9.395 7.762 1.761 1.00 0.00 O ATOM 2305 CB ALA B 88 6.544 7.251 0.155 1.00 0.00 C ATOM 0 H ALA B 88 7.910 9.577 1.137 1.00 0.00 H new ATOM 0 HA ALA B 88 6.282 7.407 2.274 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.502 6.162 0.146 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.554 7.654 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.246 7.593 -0.606 1.00 0.00 H new ATOM 2311 N GLU B 89 8.329 5.860 2.295 1.00 0.00 N ATOM 2312 CA GLU B 89 9.537 5.144 2.674 1.00 0.00 C ATOM 2313 C GLU B 89 9.960 4.208 1.544 1.00 0.00 C ATOM 2314 O GLU B 89 9.111 3.642 0.858 1.00 0.00 O ATOM 2315 CB GLU B 89 9.280 4.316 3.935 1.00 0.00 C ATOM 2316 CG GLU B 89 8.614 5.076 5.069 1.00 0.00 C ATOM 2317 CD GLU B 89 8.256 4.167 6.233 1.00 0.00 C ATOM 2318 OE1 GLU B 89 7.431 3.243 6.047 1.00 0.00 O ATOM 2319 OE2 GLU B 89 8.796 4.362 7.337 1.00 0.00 O ATOM 0 H GLU B 89 7.474 5.310 2.380 1.00 0.00 H new ATOM 0 HA GLU B 89 10.328 5.869 2.867 1.00 0.00 H new ATOM 0 HB2 GLU B 89 8.655 3.463 3.672 1.00 0.00 H new ATOM 0 HB3 GLU B 89 10.230 3.918 4.291 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.281 5.865 5.417 1.00 0.00 H new ATOM 0 HG3 GLU B 89 7.712 5.562 4.698 1.00 0.00 H new ATOM 2326 N VAL B 90 11.264 4.053 1.351 1.00 0.00 N ATOM 2327 CA VAL B 90 11.788 3.177 0.305 1.00 0.00 C ATOM 2328 C VAL B 90 12.447 1.945 0.917 1.00 0.00 C ATOM 2329 O VAL B 90 13.302 2.064 1.796 1.00 0.00 O ATOM 2330 CB VAL B 90 12.818 3.914 -0.578 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.340 3.010 -1.683 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.210 5.175 -1.166 1.00 0.00 C ATOM 0 H VAL B 90 11.981 4.522 1.905 1.00 0.00 H new ATOM 0 HA VAL B 90 10.945 2.871 -0.315 1.00 0.00 H new ATOM 0 HB VAL B 90 13.661 4.195 0.053 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.063 3.556 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.821 2.137 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.510 2.688 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL B 90 12.950 5.681 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.346 4.912 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL B 90 11.897 5.838 -0.360 1.00 0.00 H new ATOM 2342 N TYR B 91 12.055 0.763 0.448 1.00 0.00 N ATOM 2343 CA TYR B 91 12.579 -0.483 0.995 1.00 0.00 C ATOM 2344 C TYR B 91 13.156 -1.384 -0.089 1.00 0.00 C ATOM 2345 O TYR B 91 12.709 -1.371 -1.240 1.00 0.00 O ATOM 2346 CB TYR B 91 11.486 -1.241 1.747 1.00 0.00 C ATOM 2347 CG TYR B 91 10.980 -0.520 2.971 1.00 0.00 C ATOM 2348 CD1 TYR B 91 9.920 0.368 2.883 1.00 0.00 C ATOM 2349 CD2 TYR B 91 11.566 -0.724 4.212 1.00 0.00 C ATOM 2350 CE1 TYR B 91 9.456 1.031 3.996 1.00 0.00 C ATOM 2351 CE2 TYR B 91 11.106 -0.063 5.333 1.00 0.00 C ATOM 2352 CZ TYR B 91 10.050 0.812 5.220 1.00 0.00 C ATOM 2353 OH TYR B 91 9.586 1.477 6.331 1.00 0.00 O ATOM 0 H TYR B 91 11.379 0.643 -0.306 1.00 0.00 H new ATOM 0 HA TYR B 91 13.382 -0.214 1.681 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.650 -1.421 1.071 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.871 -2.216 2.044 1.00 0.00 H new ATOM 0 HD1 TYR B 91 9.451 0.543 1.926 1.00 0.00 H new ATOM 0 HD2 TYR B 91 12.395 -1.411 4.302 1.00 0.00 H new ATOM 0 HE1 TYR B 91 8.629 1.721 3.911 1.00 0.00 H new ATOM 0 HE2 TYR B 91 11.572 -0.231 6.293 1.00 0.00 H new ATOM 0 HH TYR B 91 8.649 1.729 6.194 1.00 0.00 H new ATOM 2363 N ASN B 92 14.148 -2.168 0.300 1.00 0.00 N ATOM 2364 CA ASN B 92 14.744 -3.169 -0.572 1.00 0.00 C ATOM 2365 C ASN B 92 14.865 -4.481 0.206 1.00 0.00 C ATOM 2366 O ASN B 92 14.500 -4.539 1.384 1.00 0.00 O ATOM 2367 CB ASN B 92 16.117 -2.694 -1.073 1.00 0.00 C ATOM 2368 CG ASN B 92 16.534 -3.334 -2.393 1.00 0.00 C ATOM 2369 OD1 ASN B 92 16.171 -4.469 -2.701 1.00 0.00 O ATOM 2370 ND2 ASN B 92 17.293 -2.601 -3.193 1.00 0.00 N ATOM 0 H ASN B 92 14.564 -2.129 1.231 1.00 0.00 H new ATOM 0 HA ASN B 92 14.114 -3.325 -1.447 1.00 0.00 H new ATOM 0 HB2 ASN B 92 16.097 -1.611 -1.193 1.00 0.00 H new ATOM 0 HB3 ASN B 92 16.869 -2.917 -0.316 1.00 0.00 H new ATOM 0 HD21 ASN B 92 17.594 -2.974 -4.094 1.00 0.00 H new ATOM 0 HD22 ASN B 92 17.577 -1.664 -2.909 1.00 0.00 H new ATOM 2377 N ASP B 93 15.368 -5.522 -0.439 1.00 0.00 N ATOM 2378 CA ASP B 93 15.458 -6.841 0.179 1.00 0.00 C ATOM 2379 C ASP B 93 16.624 -6.901 1.170 1.00 0.00 C ATOM 2380 O ASP B 93 17.582 -6.133 1.066 1.00 0.00 O ATOM 2381 CB ASP B 93 15.612 -7.914 -0.906 1.00 0.00 C ATOM 2382 CG ASP B 93 15.422 -9.324 -0.379 1.00 0.00 C ATOM 2383 OD1 ASP B 93 14.917 -9.484 0.751 1.00 0.00 O ATOM 2384 OD2 ASP B 93 15.774 -10.283 -1.100 1.00 0.00 O ATOM 0 H ASP B 93 15.722 -5.481 -1.395 1.00 0.00 H new ATOM 0 HA ASP B 93 14.539 -7.030 0.734 1.00 0.00 H new ATOM 0 HB2 ASP B 93 14.887 -7.728 -1.698 1.00 0.00 H new ATOM 0 HB3 ASP B 93 16.602 -7.830 -1.354 1.00 0.00 H new ATOM 2389 N ALA B 94 16.547 -7.838 2.108 1.00 0.00 N ATOM 2390 CA ALA B 94 17.509 -7.929 3.206 1.00 0.00 C ATOM 2391 C ALA B 94 18.765 -8.701 2.800 1.00 0.00 C ATOM 2392 O ALA B 94 19.535 -9.146 3.653 1.00 0.00 O ATOM 2393 CB ALA B 94 16.852 -8.585 4.413 1.00 0.00 C ATOM 0 H ALA B 94 15.821 -8.554 2.131 1.00 0.00 H new ATOM 0 HA ALA B 94 17.819 -6.917 3.465 1.00 0.00 H new ATOM 0 HB1 ALA B 94 17.572 -8.651 5.228 1.00 0.00 H new ATOM 0 HB2 ALA B 94 15.997 -7.988 4.731 1.00 0.00 H new ATOM 0 HB3 ALA B 94 16.516 -9.586 4.145 1.00 0.00 H new