USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 965 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot -56:sc= 1.43 USER MOD Set 1.2: A 93 LYS NZ :NH3+ 163:sc= 0.525 (180deg=-0.202) USER MOD Set 2.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 47 HIS :FLIP no HD1:sc= -0.0287 F(o=-1.1,f=-0.28) USER MOD Set 2.3: A 69 MET CE :methyl 153:sc= -0.25 (180deg=-1.01) USER MOD Set 3.1: A 12 THR OG1 : rot 72:sc= 0.753 USER MOD Set 3.2: A 56 MET CE :methyl -175:sc= -0.201 (180deg=-0.291) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0408 (180deg=-0.316) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0915 (180deg=-0.0423) USER MOD Single : A 3 SER OG : rot 176:sc= 0.173 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 141:sc= 0.559 (180deg=-0.00704) USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00604) USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= 0.147 (180deg=-0.219) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 23 ASN : amide:sc= -0.437 K(o=-0.44,f=-2.1) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0474) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl -128:sc= -3.37 (180deg=-7.41!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0781 F(o=-0.78,f=-0.078) USER MOD Single : A 41 LYS NZ :NH3+ -129:sc= 1.25 (180deg=-0.0426) USER MOD Single : A 48 THR OG1 : rot 64:sc= 0.837 USER MOD Single : A 49 MET CE :methyl -177:sc= -1.43 (180deg=-1.5) USER MOD Single : A 50 LYS NZ :NH3+ -114:sc= 0.016 (180deg=-0.587) USER MOD Single : A 53 THR OG1 : rot -85:sc= -2.99! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= -0.0125 (180deg=-0.0938) USER MOD Single : A 66 HIS :FLIP no HD1:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 151:sc= -1.46 (180deg=-3.23!) USER MOD Single : A 77 ASN : amide:sc= -1.05 K(o=-1,f=-3.5!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -113:sc= 0.346 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= 1.22 (180deg=-0.621) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= -0.0165 (180deg=-0.138) USER MOD Single : A 96 MET CE :methyl 180:sc= -0.159 (180deg=-0.159) USER MOD Single : A 98 THR OG1 : rot 75:sc= -0.126 USER MOD Single : A 103 LYS NZ :NH3+ 163:sc= -0.0436 (180deg=-0.349) USER MOD Single : A 104 LYS NZ :NH3+ 151:sc= 0.788 (180deg=0.346) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc=-5.4e-05 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.586 9.307 26.778 1.00 71.41 N ATOM 2 CA MET A 1 -14.710 9.328 25.570 1.00 34.12 C ATOM 3 C MET A 1 -15.477 8.868 24.303 1.00 70.05 C ATOM 4 O MET A 1 -16.667 8.551 24.372 1.00 23.45 O ATOM 5 CB MET A 1 -13.452 8.453 25.808 1.00 63.43 C ATOM 6 CG MET A 1 -12.520 8.955 26.922 1.00 53.32 C ATOM 7 SD MET A 1 -11.026 7.947 27.100 1.00 64.42 S ATOM 8 CE MET A 1 -11.700 6.348 27.546 1.00 33.22 C ATOM 0 H1 MET A 1 -15.673 10.270 27.161 1.00 71.41 H new ATOM 0 H2 MET A 1 -16.528 8.952 26.518 1.00 71.41 H new ATOM 0 H3 MET A 1 -15.168 8.684 27.499 1.00 71.41 H new ATOM 0 HA MET A 1 -14.392 10.356 25.398 1.00 34.12 H new ATOM 0 HB2 MET A 1 -13.772 7.440 26.050 1.00 63.43 H new ATOM 0 HB3 MET A 1 -12.886 8.395 24.878 1.00 63.43 H new ATOM 0 HG2 MET A 1 -12.234 9.986 26.712 1.00 53.32 H new ATOM 0 HG3 MET A 1 -13.063 8.961 27.867 1.00 53.32 H new ATOM 0 HE1 MET A 1 -10.902 5.709 27.924 1.00 33.22 H new ATOM 0 HE2 MET A 1 -12.459 6.476 28.318 1.00 33.22 H new ATOM 0 HE3 MET A 1 -12.150 5.885 26.668 1.00 33.22 H new ATOM 20 N GLY A 2 -14.773 8.838 23.148 1.00 53.21 N ATOM 21 CA GLY A 2 -15.390 8.505 21.851 1.00 15.33 C ATOM 22 C GLY A 2 -15.502 6.994 21.582 1.00 65.01 C ATOM 23 O GLY A 2 -16.408 6.330 22.098 1.00 32.42 O ATOM 0 H GLY A 2 -13.775 9.041 23.092 1.00 53.21 H new ATOM 0 HA2 GLY A 2 -16.386 8.946 21.810 1.00 15.33 H new ATOM 0 HA3 GLY A 2 -14.805 8.963 21.053 1.00 15.33 H new ATOM 27 N SER A 3 -14.567 6.454 20.780 1.00 40.33 N ATOM 28 CA SER A 3 -14.578 5.030 20.347 1.00 42.33 C ATOM 29 C SER A 3 -13.858 4.096 21.354 1.00 33.23 C ATOM 30 O SER A 3 -13.235 4.555 22.316 1.00 32.13 O ATOM 31 CB SER A 3 -13.930 4.917 18.948 1.00 45.31 C ATOM 32 OG SER A 3 -13.990 3.592 18.455 1.00 25.14 O ATOM 0 H SER A 3 -13.779 6.986 20.410 1.00 40.33 H new ATOM 0 HA SER A 3 -15.617 4.702 20.306 1.00 42.33 H new ATOM 0 HB2 SER A 3 -14.438 5.588 18.255 1.00 45.31 H new ATOM 0 HB3 SER A 3 -12.890 5.240 19.000 1.00 45.31 H new ATOM 0 HG SER A 3 -13.639 3.567 17.541 1.00 25.14 H new ATOM 38 N HIS A 4 -13.965 2.768 21.122 1.00 72.05 N ATOM 39 CA HIS A 4 -13.321 1.731 21.965 1.00 42.03 C ATOM 40 C HIS A 4 -12.251 0.924 21.182 1.00 13.13 C ATOM 41 O HIS A 4 -12.061 1.108 19.971 1.00 24.33 O ATOM 42 CB HIS A 4 -14.399 0.785 22.560 1.00 5.51 C ATOM 43 CG HIS A 4 -15.300 1.445 23.574 1.00 34.34 C ATOM 44 ND1 HIS A 4 -16.570 1.898 23.289 1.00 14.14 N ATOM 45 CD2 HIS A 4 -15.086 1.749 24.877 1.00 72.53 C ATOM 46 CE1 HIS A 4 -17.092 2.444 24.365 1.00 63.40 C ATOM 47 NE2 HIS A 4 -16.216 2.369 25.342 1.00 14.20 N ATOM 0 H HIS A 4 -14.501 2.383 20.344 1.00 72.05 H new ATOM 0 HA HIS A 4 -12.803 2.239 22.779 1.00 42.03 H new ATOM 0 HB2 HIS A 4 -15.010 0.391 21.748 1.00 5.51 H new ATOM 0 HB3 HIS A 4 -13.903 -0.065 23.028 1.00 5.51 H new ATOM 0 HD2 HIS A 4 -14.191 1.541 25.444 1.00 72.53 H new ATOM 0 HE1 HIS A 4 -18.077 2.881 24.435 1.00 63.40 H new ATOM 0 HE2 HIS A 4 -16.355 2.716 26.291 1.00 14.20 H new ATOM 56 N GLN A 5 -11.570 0.017 21.917 1.00 31.32 N ATOM 57 CA GLN A 5 -10.435 -0.800 21.411 1.00 15.11 C ATOM 58 C GLN A 5 -10.820 -1.765 20.254 1.00 11.21 C ATOM 59 O GLN A 5 -9.983 -2.061 19.391 1.00 74.24 O ATOM 60 CB GLN A 5 -9.804 -1.598 22.588 1.00 35.42 C ATOM 61 CG GLN A 5 -10.792 -2.504 23.368 1.00 0.12 C ATOM 62 CD GLN A 5 -10.142 -3.278 24.524 1.00 11.41 C ATOM 63 OE1 GLN A 5 -8.967 -3.628 24.476 1.00 64.31 O ATOM 64 NE2 GLN A 5 -10.899 -3.562 25.569 1.00 35.35 N ATOM 0 H GLN A 5 -11.794 -0.174 22.894 1.00 31.32 H new ATOM 0 HA GLN A 5 -9.712 -0.102 20.989 1.00 15.11 H new ATOM 0 HB2 GLN A 5 -8.998 -2.218 22.196 1.00 35.42 H new ATOM 0 HB3 GLN A 5 -9.353 -0.892 23.286 1.00 35.42 H new ATOM 0 HG2 GLN A 5 -11.600 -1.888 23.764 1.00 0.12 H new ATOM 0 HG3 GLN A 5 -11.243 -3.215 22.675 1.00 0.12 H new ATOM 0 HE21 GLN A 5 -11.874 -3.262 25.589 1.00 35.35 H new ATOM 0 HE22 GLN A 5 -10.509 -4.081 26.355 1.00 35.35 H new ATOM 73 N GLU A 6 -12.080 -2.250 20.247 1.00 61.23 N ATOM 74 CA GLU A 6 -12.567 -3.199 19.213 1.00 52.21 C ATOM 75 C GLU A 6 -12.671 -2.547 17.818 1.00 44.31 C ATOM 76 O GLU A 6 -12.509 -3.228 16.810 1.00 51.00 O ATOM 77 CB GLU A 6 -13.926 -3.824 19.622 1.00 41.13 C ATOM 78 CG GLU A 6 -13.888 -4.620 20.943 1.00 52.22 C ATOM 79 CD GLU A 6 -12.806 -5.720 20.963 1.00 34.23 C ATOM 80 OE1 GLU A 6 -12.950 -6.722 20.229 1.00 74.25 O ATOM 81 OE2 GLU A 6 -11.804 -5.586 21.707 1.00 71.43 O ATOM 0 H GLU A 6 -12.782 -2.002 20.945 1.00 61.23 H new ATOM 0 HA GLU A 6 -11.824 -3.993 19.146 1.00 52.21 H new ATOM 0 HB2 GLU A 6 -14.666 -3.029 19.712 1.00 41.13 H new ATOM 0 HB3 GLU A 6 -14.264 -4.484 18.823 1.00 41.13 H new ATOM 0 HG2 GLU A 6 -13.711 -3.931 21.769 1.00 52.22 H new ATOM 0 HG3 GLU A 6 -14.863 -5.076 21.112 1.00 52.22 H new ATOM 88 N TYR A 7 -12.937 -1.232 17.780 1.00 15.41 N ATOM 89 CA TYR A 7 -12.939 -0.435 16.528 1.00 31.11 C ATOM 90 C TYR A 7 -11.539 -0.430 15.878 1.00 73.05 C ATOM 91 O TYR A 7 -11.399 -0.684 14.682 1.00 11.42 O ATOM 92 CB TYR A 7 -13.389 1.014 16.832 1.00 43.14 C ATOM 93 CG TYR A 7 -13.320 1.995 15.641 1.00 50.25 C ATOM 94 CD1 TYR A 7 -14.307 2.005 14.654 1.00 70.03 C ATOM 95 CD2 TYR A 7 -12.266 2.914 15.516 1.00 52.43 C ATOM 96 CE1 TYR A 7 -14.247 2.889 13.593 1.00 72.45 C ATOM 97 CE2 TYR A 7 -12.205 3.795 14.454 1.00 14.25 C ATOM 98 CZ TYR A 7 -13.198 3.780 13.497 1.00 33.13 C ATOM 99 OH TYR A 7 -13.147 4.666 12.442 1.00 62.21 O ATOM 0 H TYR A 7 -13.158 -0.685 18.612 1.00 15.41 H new ATOM 0 HA TYR A 7 -13.638 -0.891 15.827 1.00 31.11 H new ATOM 0 HB2 TYR A 7 -14.415 0.988 17.200 1.00 43.14 H new ATOM 0 HB3 TYR A 7 -12.771 1.406 17.640 1.00 43.14 H new ATOM 0 HD1 TYR A 7 -15.131 1.310 14.720 1.00 70.03 H new ATOM 0 HD2 TYR A 7 -11.488 2.932 16.265 1.00 52.43 H new ATOM 0 HE1 TYR A 7 -15.021 2.882 12.840 1.00 72.45 H new ATOM 0 HE2 TYR A 7 -11.384 4.492 14.373 1.00 14.25 H new ATOM 0 HH TYR A 7 -12.346 5.225 12.523 1.00 62.21 H new ATOM 109 N ILE A 8 -10.522 -0.133 16.702 1.00 63.11 N ATOM 110 CA ILE A 8 -9.100 -0.124 16.288 1.00 74.14 C ATOM 111 C ILE A 8 -8.667 -1.526 15.767 1.00 21.13 C ATOM 112 O ILE A 8 -7.985 -1.641 14.743 1.00 14.23 O ATOM 113 CB ILE A 8 -8.195 0.338 17.503 1.00 74.42 C ATOM 114 CG1 ILE A 8 -8.620 1.767 18.005 1.00 1.22 C ATOM 115 CG2 ILE A 8 -6.685 0.299 17.157 1.00 5.15 C ATOM 116 CD1 ILE A 8 -8.512 2.880 16.961 1.00 20.01 C ATOM 0 H ILE A 8 -10.659 0.110 17.683 1.00 63.11 H new ATOM 0 HA ILE A 8 -8.973 0.583 15.469 1.00 74.14 H new ATOM 0 HB ILE A 8 -8.355 -0.375 18.312 1.00 74.42 H new ATOM 0 HG12 ILE A 8 -9.650 1.720 18.358 1.00 1.22 H new ATOM 0 HG13 ILE A 8 -8.001 2.033 18.862 1.00 1.22 H new ATOM 0 HG21 ILE A 8 -6.105 0.624 18.021 1.00 5.15 H new ATOM 0 HG22 ILE A 8 -6.399 -0.718 16.890 1.00 5.15 H new ATOM 0 HG23 ILE A 8 -6.487 0.964 16.316 1.00 5.15 H new ATOM 0 HD11 ILE A 8 -8.827 3.825 17.403 1.00 20.01 H new ATOM 0 HD12 ILE A 8 -7.479 2.963 16.624 1.00 20.01 H new ATOM 0 HD13 ILE A 8 -9.153 2.645 16.111 1.00 20.01 H new ATOM 128 N LYS A 9 -9.126 -2.573 16.477 1.00 21.03 N ATOM 129 CA LYS A 9 -8.922 -3.995 16.106 1.00 2.31 C ATOM 130 C LYS A 9 -9.538 -4.327 14.715 1.00 20.22 C ATOM 131 O LYS A 9 -8.916 -5.014 13.889 1.00 1.51 O ATOM 132 CB LYS A 9 -9.565 -4.880 17.205 1.00 20.02 C ATOM 133 CG LYS A 9 -9.454 -6.407 16.980 1.00 42.52 C ATOM 134 CD LYS A 9 -10.065 -7.227 18.141 1.00 44.33 C ATOM 135 CE LYS A 9 -9.327 -7.008 19.468 1.00 62.45 C ATOM 136 NZ LYS A 9 -9.987 -7.714 20.599 1.00 4.42 N ATOM 0 H LYS A 9 -9.658 -2.458 17.339 1.00 21.03 H new ATOM 0 HA LYS A 9 -7.852 -4.192 16.032 1.00 2.31 H new ATOM 0 HB2 LYS A 9 -9.101 -4.636 18.161 1.00 20.02 H new ATOM 0 HB3 LYS A 9 -10.620 -4.618 17.287 1.00 20.02 H new ATOM 0 HG2 LYS A 9 -9.957 -6.671 16.050 1.00 42.52 H new ATOM 0 HG3 LYS A 9 -8.405 -6.678 16.862 1.00 42.52 H new ATOM 0 HD2 LYS A 9 -11.113 -6.953 18.263 1.00 44.33 H new ATOM 0 HD3 LYS A 9 -10.040 -8.286 17.886 1.00 44.33 H new ATOM 0 HE2 LYS A 9 -8.299 -7.358 19.373 1.00 62.45 H new ATOM 0 HE3 LYS A 9 -9.281 -5.941 19.685 1.00 62.45 H new ATOM 0 HZ1 LYS A 9 -9.262 -8.114 21.229 1.00 4.42 H new ATOM 0 HZ2 LYS A 9 -10.576 -7.042 21.131 1.00 4.42 H new ATOM 0 HZ3 LYS A 9 -10.584 -8.480 20.229 1.00 4.42 H new ATOM 150 N LYS A 10 -10.768 -3.828 14.492 1.00 60.14 N ATOM 151 CA LYS A 10 -11.502 -3.972 13.208 1.00 11.04 C ATOM 152 C LYS A 10 -10.711 -3.365 12.021 1.00 73.35 C ATOM 153 O LYS A 10 -10.493 -4.041 11.014 1.00 12.40 O ATOM 154 CB LYS A 10 -12.907 -3.302 13.315 1.00 3.02 C ATOM 155 CG LYS A 10 -13.948 -4.087 14.157 1.00 63.20 C ATOM 156 CD LYS A 10 -15.223 -3.255 14.491 1.00 33.12 C ATOM 157 CE LYS A 10 -15.904 -2.648 13.248 1.00 0.13 C ATOM 158 NZ LYS A 10 -16.287 -3.681 12.255 1.00 41.02 N ATOM 0 H LYS A 10 -11.289 -3.309 15.199 1.00 60.14 H new ATOM 0 HA LYS A 10 -11.622 -5.038 13.014 1.00 11.04 H new ATOM 0 HB2 LYS A 10 -12.787 -2.309 13.748 1.00 3.02 H new ATOM 0 HB3 LYS A 10 -13.305 -3.165 12.309 1.00 3.02 H new ATOM 0 HG2 LYS A 10 -14.241 -4.986 13.614 1.00 63.20 H new ATOM 0 HG3 LYS A 10 -13.482 -4.414 15.087 1.00 63.20 H new ATOM 0 HD2 LYS A 10 -15.937 -3.893 15.012 1.00 33.12 H new ATOM 0 HD3 LYS A 10 -14.954 -2.452 15.177 1.00 33.12 H new ATOM 0 HE2 LYS A 10 -16.792 -2.096 13.556 1.00 0.13 H new ATOM 0 HE3 LYS A 10 -15.229 -1.931 12.781 1.00 0.13 H new ATOM 0 HZ1 LYS A 10 -16.756 -3.227 11.445 1.00 41.02 H new ATOM 0 HZ2 LYS A 10 -15.435 -4.180 11.927 1.00 41.02 H new ATOM 0 HZ3 LYS A 10 -16.939 -4.361 12.696 1.00 41.02 H new ATOM 172 N VAL A 11 -10.267 -2.100 12.179 1.00 61.22 N ATOM 173 CA VAL A 11 -9.504 -1.353 11.140 1.00 15.02 C ATOM 174 C VAL A 11 -8.171 -2.074 10.770 1.00 14.11 C ATOM 175 O VAL A 11 -7.752 -2.084 9.600 1.00 75.02 O ATOM 176 CB VAL A 11 -9.222 0.130 11.609 1.00 15.00 C ATOM 177 CG1 VAL A 11 -8.467 0.937 10.529 1.00 3.11 C ATOM 178 CG2 VAL A 11 -10.538 0.851 12.004 1.00 73.13 C ATOM 0 H VAL A 11 -10.425 -1.561 13.031 1.00 61.22 H new ATOM 0 HA VAL A 11 -10.122 -1.323 10.242 1.00 15.02 H new ATOM 0 HB VAL A 11 -8.583 0.072 12.490 1.00 15.00 H new ATOM 0 HG11 VAL A 11 -8.292 1.951 10.889 1.00 3.11 H new ATOM 0 HG12 VAL A 11 -7.512 0.457 10.317 1.00 3.11 H new ATOM 0 HG13 VAL A 11 -9.064 0.973 9.618 1.00 3.11 H new ATOM 0 HG21 VAL A 11 -10.314 1.869 12.322 1.00 73.13 H new ATOM 0 HG22 VAL A 11 -11.209 0.879 11.146 1.00 73.13 H new ATOM 0 HG23 VAL A 11 -11.017 0.312 12.822 1.00 73.13 H new ATOM 188 N THR A 12 -7.546 -2.702 11.784 1.00 12.12 N ATOM 189 CA THR A 12 -6.315 -3.516 11.625 1.00 45.45 C ATOM 190 C THR A 12 -6.540 -4.722 10.670 1.00 53.14 C ATOM 191 O THR A 12 -5.683 -5.035 9.841 1.00 32.42 O ATOM 192 CB THR A 12 -5.817 -4.038 13.021 1.00 32.43 C ATOM 193 OG1 THR A 12 -5.540 -2.932 13.884 1.00 25.40 O ATOM 194 CG2 THR A 12 -4.560 -4.917 12.924 1.00 52.15 C ATOM 0 H THR A 12 -7.880 -2.661 12.747 1.00 12.12 H new ATOM 0 HA THR A 12 -5.556 -2.870 11.185 1.00 45.45 H new ATOM 0 HB THR A 12 -6.620 -4.655 13.423 1.00 32.43 H new ATOM 0 HG1 THR A 12 -6.382 -2.512 14.159 1.00 25.40 H new ATOM 0 HG21 THR A 12 -4.268 -5.245 13.921 1.00 52.15 H new ATOM 0 HG22 THR A 12 -4.772 -5.788 12.303 1.00 52.15 H new ATOM 0 HG23 THR A 12 -3.748 -4.343 12.478 1.00 52.15 H new ATOM 202 N ASP A 13 -7.677 -5.420 10.820 1.00 71.25 N ATOM 203 CA ASP A 13 -8.049 -6.544 9.922 1.00 65.50 C ATOM 204 C ASP A 13 -8.618 -6.078 8.552 1.00 44.31 C ATOM 205 O ASP A 13 -8.507 -6.807 7.560 1.00 74.32 O ATOM 206 CB ASP A 13 -8.981 -7.543 10.638 1.00 52.23 C ATOM 207 CG ASP A 13 -8.249 -8.288 11.773 1.00 12.12 C ATOM 208 OD1 ASP A 13 -7.198 -8.931 11.494 1.00 3.14 O ATOM 209 OD2 ASP A 13 -8.689 -8.219 12.937 1.00 32.04 O ATOM 0 H ASP A 13 -8.361 -5.231 11.553 1.00 71.25 H new ATOM 0 HA ASP A 13 -7.124 -7.069 9.681 1.00 65.50 H new ATOM 0 HB2 ASP A 13 -9.841 -7.011 11.046 1.00 52.23 H new ATOM 0 HB3 ASP A 13 -9.365 -8.264 9.917 1.00 52.23 H new ATOM 214 N GLU A 14 -9.252 -4.889 8.506 1.00 40.24 N ATOM 215 CA GLU A 14 -9.694 -4.260 7.226 1.00 0.33 C ATOM 216 C GLU A 14 -8.479 -3.921 6.317 1.00 25.02 C ATOM 217 O GLU A 14 -8.591 -3.913 5.082 1.00 51.04 O ATOM 218 CB GLU A 14 -10.535 -2.987 7.508 1.00 42.01 C ATOM 219 CG GLU A 14 -11.875 -3.256 8.225 1.00 52.34 C ATOM 220 CD GLU A 14 -12.717 -1.983 8.416 1.00 42.24 C ATOM 221 OE1 GLU A 14 -13.499 -1.638 7.501 1.00 40.11 O ATOM 222 OE2 GLU A 14 -12.586 -1.313 9.463 1.00 73.33 O ATOM 0 H GLU A 14 -9.473 -4.338 9.335 1.00 40.24 H new ATOM 0 HA GLU A 14 -10.318 -4.980 6.696 1.00 0.33 H new ATOM 0 HB2 GLU A 14 -9.943 -2.302 8.115 1.00 42.01 H new ATOM 0 HB3 GLU A 14 -10.737 -2.483 6.563 1.00 42.01 H new ATOM 0 HG2 GLU A 14 -12.449 -3.983 7.650 1.00 52.34 H new ATOM 0 HG3 GLU A 14 -11.677 -3.704 9.199 1.00 52.34 H new ATOM 229 N LEU A 15 -7.325 -3.657 6.962 1.00 4.01 N ATOM 230 CA LEU A 15 -6.012 -3.507 6.294 1.00 74.33 C ATOM 231 C LEU A 15 -5.635 -4.762 5.453 1.00 40.13 C ATOM 232 O LEU A 15 -5.033 -4.633 4.396 1.00 32.05 O ATOM 233 CB LEU A 15 -4.907 -3.277 7.359 1.00 33.45 C ATOM 234 CG LEU A 15 -3.423 -3.169 6.828 1.00 73.22 C ATOM 235 CD1 LEU A 15 -2.993 -1.707 6.574 1.00 44.04 C ATOM 236 CD2 LEU A 15 -2.434 -3.920 7.758 1.00 41.54 C ATOM 0 H LEU A 15 -7.276 -3.540 7.974 1.00 4.01 H new ATOM 0 HA LEU A 15 -6.088 -2.652 5.622 1.00 74.33 H new ATOM 0 HB2 LEU A 15 -5.142 -2.361 7.901 1.00 33.45 H new ATOM 0 HB3 LEU A 15 -4.952 -4.094 8.079 1.00 33.45 H new ATOM 0 HG LEU A 15 -3.393 -3.665 5.858 1.00 73.22 H new ATOM 0 HD11 LEU A 15 -1.966 -1.688 6.210 1.00 44.04 H new ATOM 0 HD12 LEU A 15 -3.650 -1.259 5.829 1.00 44.04 H new ATOM 0 HD13 LEU A 15 -3.059 -1.141 7.503 1.00 44.04 H new ATOM 0 HD21 LEU A 15 -1.422 -3.826 7.364 1.00 41.54 H new ATOM 0 HD22 LEU A 15 -2.476 -3.488 8.758 1.00 41.54 H new ATOM 0 HD23 LEU A 15 -2.708 -4.974 7.806 1.00 41.54 H new ATOM 248 N LYS A 16 -5.999 -5.968 5.945 1.00 72.44 N ATOM 249 CA LYS A 16 -5.588 -7.261 5.317 1.00 13.35 C ATOM 250 C LYS A 16 -6.310 -7.490 3.971 1.00 23.03 C ATOM 251 O LYS A 16 -5.723 -8.000 3.013 1.00 51.25 O ATOM 252 CB LYS A 16 -5.876 -8.466 6.257 1.00 71.32 C ATOM 253 CG LYS A 16 -5.522 -8.237 7.734 1.00 63.22 C ATOM 254 CD LYS A 16 -4.018 -7.986 7.981 1.00 21.23 C ATOM 255 CE LYS A 16 -3.736 -7.693 9.458 1.00 62.22 C ATOM 256 NZ LYS A 16 -4.290 -8.748 10.349 1.00 62.40 N ATOM 0 H LYS A 16 -6.578 -6.081 6.777 1.00 72.44 H new ATOM 0 HA LYS A 16 -4.515 -7.194 5.140 1.00 13.35 H new ATOM 0 HB2 LYS A 16 -6.935 -8.717 6.187 1.00 71.32 H new ATOM 0 HB3 LYS A 16 -5.319 -9.331 5.895 1.00 71.32 H new ATOM 0 HG2 LYS A 16 -6.089 -7.384 8.106 1.00 63.22 H new ATOM 0 HG3 LYS A 16 -5.836 -9.106 8.313 1.00 63.22 H new ATOM 0 HD2 LYS A 16 -3.445 -8.858 7.666 1.00 21.23 H new ATOM 0 HD3 LYS A 16 -3.683 -7.147 7.371 1.00 21.23 H new ATOM 0 HE2 LYS A 16 -2.660 -7.615 9.613 1.00 62.22 H new ATOM 0 HE3 LYS A 16 -4.168 -6.729 9.726 1.00 62.22 H new ATOM 0 HZ1 LYS A 16 -3.743 -8.779 11.233 1.00 62.40 H new ATOM 0 HZ2 LYS A 16 -5.284 -8.533 10.565 1.00 62.40 H new ATOM 0 HZ3 LYS A 16 -4.231 -9.671 9.873 1.00 62.40 H new ATOM 270 N GLU A 17 -7.610 -7.129 3.943 1.00 32.43 N ATOM 271 CA GLU A 17 -8.440 -7.096 2.714 1.00 71.40 C ATOM 272 C GLU A 17 -7.786 -6.172 1.672 1.00 45.43 C ATOM 273 O GLU A 17 -7.699 -6.496 0.481 1.00 43.23 O ATOM 274 CB GLU A 17 -9.879 -6.606 3.088 1.00 72.32 C ATOM 275 CG GLU A 17 -11.001 -6.874 2.045 1.00 35.55 C ATOM 276 CD GLU A 17 -10.923 -6.007 0.771 1.00 33.14 C ATOM 277 OE1 GLU A 17 -11.112 -4.781 0.873 1.00 75.12 O ATOM 278 OE2 GLU A 17 -10.688 -6.549 -0.336 1.00 24.55 O ATOM 0 H GLU A 17 -8.121 -6.849 4.780 1.00 32.43 H new ATOM 0 HA GLU A 17 -8.513 -8.092 2.278 1.00 71.40 H new ATOM 0 HB2 GLU A 17 -10.167 -7.080 4.027 1.00 72.32 H new ATOM 0 HB3 GLU A 17 -9.836 -5.533 3.273 1.00 72.32 H new ATOM 0 HG2 GLU A 17 -10.965 -7.924 1.755 1.00 35.55 H new ATOM 0 HG3 GLU A 17 -11.967 -6.708 2.521 1.00 35.55 H new ATOM 285 N LEU A 18 -7.297 -5.044 2.176 1.00 53.34 N ATOM 286 CA LEU A 18 -6.670 -3.995 1.379 1.00 75.11 C ATOM 287 C LEU A 18 -5.292 -4.449 0.823 1.00 11.30 C ATOM 288 O LEU A 18 -4.956 -4.157 -0.318 1.00 0.30 O ATOM 289 CB LEU A 18 -6.554 -2.716 2.259 1.00 14.32 C ATOM 290 CG LEU A 18 -6.588 -1.360 1.501 1.00 62.03 C ATOM 291 CD1 LEU A 18 -7.773 -1.333 0.515 1.00 32.42 C ATOM 292 CD2 LEU A 18 -6.655 -0.174 2.493 1.00 71.00 C ATOM 0 H LEU A 18 -7.326 -4.829 3.173 1.00 53.34 H new ATOM 0 HA LEU A 18 -7.285 -3.775 0.507 1.00 75.11 H new ATOM 0 HB2 LEU A 18 -7.367 -2.724 2.985 1.00 14.32 H new ATOM 0 HB3 LEU A 18 -5.623 -2.771 2.823 1.00 14.32 H new ATOM 0 HG LEU A 18 -5.666 -1.256 0.930 1.00 62.03 H new ATOM 0 HD11 LEU A 18 -7.787 -0.378 -0.011 1.00 32.42 H new ATOM 0 HD12 LEU A 18 -7.665 -2.143 -0.206 1.00 32.42 H new ATOM 0 HD13 LEU A 18 -8.706 -1.459 1.064 1.00 32.42 H new ATOM 0 HD21 LEU A 18 -6.678 0.764 1.938 1.00 71.00 H new ATOM 0 HD22 LEU A 18 -7.556 -0.258 3.100 1.00 71.00 H new ATOM 0 HD23 LEU A 18 -5.778 -0.191 3.140 1.00 71.00 H new ATOM 304 N ILE A 19 -4.518 -5.176 1.653 1.00 2.33 N ATOM 305 CA ILE A 19 -3.230 -5.805 1.262 1.00 45.21 C ATOM 306 C ILE A 19 -3.444 -6.825 0.118 1.00 24.21 C ATOM 307 O ILE A 19 -2.741 -6.796 -0.894 1.00 22.30 O ATOM 308 CB ILE A 19 -2.559 -6.515 2.518 1.00 73.13 C ATOM 309 CG1 ILE A 19 -1.993 -5.454 3.525 1.00 2.42 C ATOM 310 CG2 ILE A 19 -1.465 -7.549 2.121 1.00 4.24 C ATOM 311 CD1 ILE A 19 -1.395 -6.035 4.803 1.00 10.52 C ATOM 0 H ILE A 19 -4.768 -5.348 2.627 1.00 2.33 H new ATOM 0 HA ILE A 19 -2.561 -5.023 0.903 1.00 45.21 H new ATOM 0 HB ILE A 19 -3.349 -7.079 3.013 1.00 73.13 H new ATOM 0 HG12 ILE A 19 -1.228 -4.866 3.018 1.00 2.42 H new ATOM 0 HG13 ILE A 19 -2.795 -4.768 3.796 1.00 2.42 H new ATOM 0 HG21 ILE A 19 -1.046 -7.999 3.021 1.00 4.24 H new ATOM 0 HG22 ILE A 19 -1.908 -8.327 1.499 1.00 4.24 H new ATOM 0 HG23 ILE A 19 -0.674 -7.046 1.564 1.00 4.24 H new ATOM 0 HD11 ILE A 19 -1.031 -5.225 5.435 1.00 10.52 H new ATOM 0 HD12 ILE A 19 -2.159 -6.598 5.339 1.00 10.52 H new ATOM 0 HD13 ILE A 19 -0.567 -6.697 4.549 1.00 10.52 H new ATOM 323 N GLN A 20 -4.436 -7.708 0.300 1.00 52.45 N ATOM 324 CA GLN A 20 -4.799 -8.754 -0.682 1.00 41.24 C ATOM 325 C GLN A 20 -5.253 -8.136 -2.032 1.00 65.12 C ATOM 326 O GLN A 20 -4.893 -8.633 -3.106 1.00 21.15 O ATOM 327 CB GLN A 20 -5.924 -9.643 -0.087 1.00 73.21 C ATOM 328 CG GLN A 20 -6.429 -10.767 -1.016 1.00 2.44 C ATOM 329 CD GLN A 20 -7.549 -11.614 -0.408 1.00 41.04 C ATOM 330 OE1 GLN A 20 -8.309 -11.153 0.432 1.00 63.14 O ATOM 331 NE2 GLN A 20 -7.683 -12.845 -0.851 1.00 62.03 N ATOM 0 H GLN A 20 -5.017 -7.721 1.138 1.00 52.45 H new ATOM 0 HA GLN A 20 -3.917 -9.362 -0.885 1.00 41.24 H new ATOM 0 HB2 GLN A 20 -5.560 -10.092 0.837 1.00 73.21 H new ATOM 0 HB3 GLN A 20 -6.767 -9.006 0.179 1.00 73.21 H new ATOM 0 HG2 GLN A 20 -6.785 -10.324 -1.946 1.00 2.44 H new ATOM 0 HG3 GLN A 20 -5.593 -11.417 -1.272 1.00 2.44 H new ATOM 0 HE21 GLN A 20 -7.037 -13.208 -1.552 1.00 62.03 H new ATOM 0 HE22 GLN A 20 -8.433 -13.437 -0.494 1.00 62.03 H new ATOM 340 N ASN A 21 -6.037 -7.045 -1.950 1.00 75.32 N ATOM 341 CA ASN A 21 -6.572 -6.335 -3.136 1.00 42.34 C ATOM 342 C ASN A 21 -5.436 -5.632 -3.933 1.00 5.25 C ATOM 343 O ASN A 21 -5.328 -5.803 -5.152 1.00 31.22 O ATOM 344 CB ASN A 21 -7.654 -5.314 -2.695 1.00 10.43 C ATOM 345 CG ASN A 21 -8.421 -4.703 -3.872 1.00 75.04 C ATOM 346 OD1 ASN A 21 -8.060 -3.667 -4.398 1.00 13.32 O ATOM 347 ND2 ASN A 21 -9.475 -5.361 -4.315 1.00 40.15 N ATOM 0 H ASN A 21 -6.319 -6.628 -1.063 1.00 75.32 H new ATOM 0 HA ASN A 21 -7.030 -7.068 -3.801 1.00 42.34 H new ATOM 0 HB2 ASN A 21 -8.360 -5.808 -2.027 1.00 10.43 H new ATOM 0 HB3 ASN A 21 -7.180 -4.515 -2.124 1.00 10.43 H new ATOM 0 HD21 ASN A 21 -10.002 -5.003 -5.111 1.00 40.15 H new ATOM 0 HD22 ASN A 21 -9.763 -6.228 -3.861 1.00 40.15 H new ATOM 354 N VAL A 22 -4.594 -4.859 -3.211 1.00 71.21 N ATOM 355 CA VAL A 22 -3.418 -4.156 -3.786 1.00 21.34 C ATOM 356 C VAL A 22 -2.431 -5.134 -4.458 1.00 2.03 C ATOM 357 O VAL A 22 -2.070 -4.934 -5.610 1.00 73.53 O ATOM 358 CB VAL A 22 -2.671 -3.294 -2.689 1.00 1.22 C ATOM 359 CG1 VAL A 22 -1.282 -2.796 -3.162 1.00 63.31 C ATOM 360 CG2 VAL A 22 -3.544 -2.100 -2.252 1.00 11.41 C ATOM 0 H VAL A 22 -4.709 -4.703 -2.210 1.00 71.21 H new ATOM 0 HA VAL A 22 -3.800 -3.485 -4.556 1.00 21.34 H new ATOM 0 HB VAL A 22 -2.502 -3.951 -1.836 1.00 1.22 H new ATOM 0 HG11 VAL A 22 -0.816 -2.211 -2.369 1.00 63.31 H new ATOM 0 HG12 VAL A 22 -0.650 -3.652 -3.400 1.00 63.31 H new ATOM 0 HG13 VAL A 22 -1.401 -2.175 -4.050 1.00 63.31 H new ATOM 0 HG21 VAL A 22 -3.014 -1.519 -1.497 1.00 11.41 H new ATOM 0 HG22 VAL A 22 -3.755 -1.468 -3.115 1.00 11.41 H new ATOM 0 HG23 VAL A 22 -4.481 -2.468 -1.834 1.00 11.41 H new ATOM 370 N ASN A 23 -2.006 -6.183 -3.728 1.00 2.03 N ATOM 371 CA ASN A 23 -1.083 -7.223 -4.257 1.00 15.03 C ATOM 372 C ASN A 23 -1.645 -7.901 -5.531 1.00 41.45 C ATOM 373 O ASN A 23 -0.898 -8.153 -6.474 1.00 41.33 O ATOM 374 CB ASN A 23 -0.771 -8.290 -3.173 1.00 64.43 C ATOM 375 CG ASN A 23 0.121 -7.762 -2.048 1.00 51.30 C ATOM 376 OD1 ASN A 23 0.968 -6.896 -2.253 1.00 21.45 O ATOM 377 ND2 ASN A 23 -0.050 -8.287 -0.849 1.00 45.31 N ATOM 0 H ASN A 23 -2.287 -6.339 -2.760 1.00 2.03 H new ATOM 0 HA ASN A 23 -0.156 -6.719 -4.531 1.00 15.03 H new ATOM 0 HB2 ASN A 23 -1.707 -8.650 -2.747 1.00 64.43 H new ATOM 0 HB3 ASN A 23 -0.285 -9.145 -3.643 1.00 64.43 H new ATOM 0 HD21 ASN A 23 0.528 -7.975 -0.068 1.00 45.31 H new ATOM 0 HD22 ASN A 23 -0.760 -9.005 -0.703 1.00 45.31 H new ATOM 384 N ASP A 24 -2.967 -8.160 -5.550 1.00 52.43 N ATOM 385 CA ASP A 24 -3.658 -8.756 -6.717 1.00 25.22 C ATOM 386 C ASP A 24 -3.615 -7.800 -7.945 1.00 64.54 C ATOM 387 O ASP A 24 -3.487 -8.250 -9.093 1.00 33.13 O ATOM 388 CB ASP A 24 -5.118 -9.105 -6.332 1.00 43.01 C ATOM 389 CG ASP A 24 -5.873 -9.872 -7.427 1.00 41.42 C ATOM 390 OD1 ASP A 24 -5.478 -11.016 -7.738 1.00 41.32 O ATOM 391 OD2 ASP A 24 -6.867 -9.349 -7.972 1.00 30.32 O ATOM 0 H ASP A 24 -3.586 -7.964 -4.763 1.00 52.43 H new ATOM 0 HA ASP A 24 -3.140 -9.671 -7.003 1.00 25.22 H new ATOM 0 HB2 ASP A 24 -5.112 -9.701 -5.420 1.00 43.01 H new ATOM 0 HB3 ASP A 24 -5.656 -8.184 -6.107 1.00 43.01 H new ATOM 396 N ASP A 25 -3.721 -6.482 -7.679 1.00 12.41 N ATOM 397 CA ASP A 25 -3.554 -5.428 -8.709 1.00 72.22 C ATOM 398 C ASP A 25 -2.099 -5.364 -9.229 1.00 55.23 C ATOM 399 O ASP A 25 -1.883 -5.243 -10.432 1.00 2.40 O ATOM 400 CB ASP A 25 -3.976 -4.036 -8.153 1.00 52.44 C ATOM 401 CG ASP A 25 -5.492 -3.879 -7.990 1.00 12.22 C ATOM 402 OD1 ASP A 25 -6.233 -4.252 -8.931 1.00 24.00 O ATOM 403 OD2 ASP A 25 -5.954 -3.354 -6.956 1.00 40.02 O ATOM 0 H ASP A 25 -3.924 -6.116 -6.749 1.00 12.41 H new ATOM 0 HA ASP A 25 -4.204 -5.690 -9.544 1.00 72.22 H new ATOM 0 HB2 ASP A 25 -3.496 -3.878 -7.187 1.00 52.44 H new ATOM 0 HB3 ASP A 25 -3.608 -3.259 -8.823 1.00 52.44 H new ATOM 408 N ILE A 26 -1.120 -5.446 -8.303 1.00 34.13 N ATOM 409 CA ILE A 26 0.327 -5.394 -8.629 1.00 3.20 C ATOM 410 C ILE A 26 0.743 -6.583 -9.542 1.00 12.33 C ATOM 411 O ILE A 26 1.567 -6.418 -10.448 1.00 64.21 O ATOM 412 CB ILE A 26 1.221 -5.379 -7.327 1.00 34.25 C ATOM 413 CG1 ILE A 26 0.899 -4.144 -6.423 1.00 73.03 C ATOM 414 CG2 ILE A 26 2.726 -5.395 -7.680 1.00 14.52 C ATOM 415 CD1 ILE A 26 1.660 -4.108 -5.101 1.00 20.33 C ATOM 0 H ILE A 26 -1.308 -5.550 -7.306 1.00 34.13 H new ATOM 0 HA ILE A 26 0.494 -4.462 -9.169 1.00 3.20 H new ATOM 0 HB ILE A 26 0.984 -6.285 -6.769 1.00 34.25 H new ATOM 0 HG12 ILE A 26 1.122 -3.234 -6.980 1.00 73.03 H new ATOM 0 HG13 ILE A 26 -0.170 -4.134 -6.212 1.00 73.03 H new ATOM 0 HG21 ILE A 26 3.315 -5.384 -6.763 1.00 14.52 H new ATOM 0 HG22 ILE A 26 2.957 -6.296 -8.249 1.00 14.52 H new ATOM 0 HG23 ILE A 26 2.969 -4.516 -8.278 1.00 14.52 H new ATOM 0 HD11 ILE A 26 1.374 -3.218 -4.541 1.00 20.33 H new ATOM 0 HD12 ILE A 26 1.419 -4.997 -4.518 1.00 20.33 H new ATOM 0 HD13 ILE A 26 2.732 -4.083 -5.299 1.00 20.33 H new ATOM 427 N LYS A 27 0.148 -7.765 -9.296 1.00 44.44 N ATOM 428 CA LYS A 27 0.323 -8.965 -10.157 1.00 63.23 C ATOM 429 C LYS A 27 -0.128 -8.678 -11.611 1.00 13.54 C ATOM 430 O LYS A 27 0.542 -9.062 -12.577 1.00 2.52 O ATOM 431 CB LYS A 27 -0.480 -10.159 -9.575 1.00 31.33 C ATOM 432 CG LYS A 27 0.001 -10.638 -8.185 1.00 54.43 C ATOM 433 CD LYS A 27 -0.883 -11.764 -7.587 1.00 33.44 C ATOM 434 CE LYS A 27 -0.920 -13.027 -8.468 1.00 14.22 C ATOM 435 NZ LYS A 27 0.435 -13.593 -8.694 1.00 11.44 N ATOM 0 H LYS A 27 -0.468 -7.922 -8.498 1.00 44.44 H new ATOM 0 HA LYS A 27 1.383 -9.220 -10.175 1.00 63.23 H new ATOM 0 HB2 LYS A 27 -1.530 -9.874 -9.504 1.00 31.33 H new ATOM 0 HB3 LYS A 27 -0.422 -10.994 -10.273 1.00 31.33 H new ATOM 0 HG2 LYS A 27 1.028 -10.995 -8.266 1.00 54.43 H new ATOM 0 HG3 LYS A 27 0.012 -9.791 -7.500 1.00 54.43 H new ATOM 0 HD2 LYS A 27 -0.508 -12.027 -6.598 1.00 33.44 H new ATOM 0 HD3 LYS A 27 -1.898 -11.390 -7.453 1.00 33.44 H new ATOM 0 HE2 LYS A 27 -1.552 -13.779 -7.996 1.00 14.22 H new ATOM 0 HE3 LYS A 27 -1.376 -12.785 -9.428 1.00 14.22 H new ATOM 0 HZ1 LYS A 27 0.354 -14.495 -9.205 1.00 11.44 H new ATOM 0 HZ2 LYS A 27 1.000 -12.926 -9.257 1.00 11.44 H new ATOM 0 HZ3 LYS A 27 0.901 -13.754 -7.778 1.00 11.44 H new ATOM 449 N GLU A 28 -1.265 -7.976 -11.737 1.00 4.23 N ATOM 450 CA GLU A 28 -1.805 -7.528 -13.038 1.00 1.32 C ATOM 451 C GLU A 28 -0.943 -6.425 -13.682 1.00 31.41 C ATOM 452 O GLU A 28 -0.955 -6.271 -14.907 1.00 14.45 O ATOM 453 CB GLU A 28 -3.263 -7.044 -12.877 1.00 71.41 C ATOM 454 CG GLU A 28 -4.242 -8.131 -12.404 1.00 2.20 C ATOM 455 CD GLU A 28 -4.287 -9.349 -13.343 1.00 43.40 C ATOM 456 OE1 GLU A 28 -4.900 -9.248 -14.430 1.00 42.42 O ATOM 457 OE2 GLU A 28 -3.701 -10.402 -13.006 1.00 5.12 O ATOM 0 H GLU A 28 -1.840 -7.701 -10.940 1.00 4.23 H new ATOM 0 HA GLU A 28 -1.782 -8.387 -13.708 1.00 1.32 H new ATOM 0 HB2 GLU A 28 -3.283 -6.219 -12.165 1.00 71.41 H new ATOM 0 HB3 GLU A 28 -3.610 -6.650 -13.832 1.00 71.41 H new ATOM 0 HG2 GLU A 28 -3.956 -8.460 -11.405 1.00 2.20 H new ATOM 0 HG3 GLU A 28 -5.241 -7.703 -12.325 1.00 2.20 H new ATOM 464 N VAL A 29 -0.228 -5.642 -12.853 1.00 64.21 N ATOM 465 CA VAL A 29 0.759 -4.669 -13.353 1.00 12.11 C ATOM 466 C VAL A 29 2.029 -5.395 -13.891 1.00 62.43 C ATOM 467 O VAL A 29 2.628 -4.965 -14.857 1.00 13.04 O ATOM 468 CB VAL A 29 1.175 -3.611 -12.272 1.00 12.54 C ATOM 469 CG1 VAL A 29 2.114 -2.566 -12.890 1.00 63.12 C ATOM 470 CG2 VAL A 29 -0.047 -2.918 -11.618 1.00 42.30 C ATOM 0 H VAL A 29 -0.315 -5.664 -11.837 1.00 64.21 H new ATOM 0 HA VAL A 29 0.271 -4.131 -14.166 1.00 12.11 H new ATOM 0 HB VAL A 29 1.698 -4.147 -11.480 1.00 12.54 H new ATOM 0 HG11 VAL A 29 2.396 -1.837 -12.131 1.00 63.12 H new ATOM 0 HG12 VAL A 29 3.009 -3.060 -13.269 1.00 63.12 H new ATOM 0 HG13 VAL A 29 1.605 -2.058 -13.709 1.00 63.12 H new ATOM 0 HG21 VAL A 29 0.297 -2.196 -10.878 1.00 42.30 H new ATOM 0 HG22 VAL A 29 -0.627 -2.404 -12.384 1.00 42.30 H new ATOM 0 HG23 VAL A 29 -0.672 -3.666 -11.131 1.00 42.30 H new ATOM 480 N GLU A 30 2.434 -6.512 -13.273 1.00 73.35 N ATOM 481 CA GLU A 30 3.556 -7.343 -13.805 1.00 23.43 C ATOM 482 C GLU A 30 3.194 -7.945 -15.187 1.00 23.34 C ATOM 483 O GLU A 30 4.068 -8.256 -16.002 1.00 1.02 O ATOM 484 CB GLU A 30 3.919 -8.454 -12.797 1.00 63.03 C ATOM 485 CG GLU A 30 4.332 -7.903 -11.415 1.00 61.33 C ATOM 486 CD GLU A 30 4.723 -8.983 -10.402 1.00 54.02 C ATOM 487 OE1 GLU A 30 5.898 -9.412 -10.401 1.00 53.13 O ATOM 488 OE2 GLU A 30 3.864 -9.404 -9.602 1.00 50.45 O ATOM 0 H GLU A 30 2.017 -6.870 -12.414 1.00 73.35 H new ATOM 0 HA GLU A 30 4.427 -6.702 -13.942 1.00 23.43 H new ATOM 0 HB2 GLU A 30 3.065 -9.120 -12.676 1.00 63.03 H new ATOM 0 HB3 GLU A 30 4.735 -9.052 -13.202 1.00 63.03 H new ATOM 0 HG2 GLU A 30 5.172 -7.220 -11.544 1.00 61.33 H new ATOM 0 HG3 GLU A 30 3.507 -7.319 -11.007 1.00 61.33 H new ATOM 495 N LYS A 31 1.884 -8.077 -15.427 1.00 60.21 N ATOM 496 CA LYS A 31 1.320 -8.518 -16.712 1.00 64.33 C ATOM 497 C LYS A 31 1.199 -7.318 -17.705 1.00 63.42 C ATOM 498 O LYS A 31 1.431 -7.465 -18.908 1.00 32.44 O ATOM 499 CB LYS A 31 -0.074 -9.156 -16.441 1.00 2.52 C ATOM 500 CG LYS A 31 -0.522 -10.183 -17.490 1.00 72.13 C ATOM 501 CD LYS A 31 -1.937 -10.739 -17.205 1.00 50.41 C ATOM 502 CE LYS A 31 -2.346 -11.855 -18.183 1.00 41.44 C ATOM 503 NZ LYS A 31 -3.695 -12.395 -17.871 1.00 50.31 N ATOM 0 H LYS A 31 1.173 -7.878 -14.723 1.00 60.21 H new ATOM 0 HA LYS A 31 1.979 -9.254 -17.173 1.00 64.33 H new ATOM 0 HB2 LYS A 31 -0.054 -9.639 -15.464 1.00 2.52 H new ATOM 0 HB3 LYS A 31 -0.818 -8.362 -16.388 1.00 2.52 H new ATOM 0 HG2 LYS A 31 -0.509 -9.720 -18.477 1.00 72.13 H new ATOM 0 HG3 LYS A 31 0.191 -11.007 -17.515 1.00 72.13 H new ATOM 0 HD2 LYS A 31 -1.973 -11.124 -16.186 1.00 50.41 H new ATOM 0 HD3 LYS A 31 -2.661 -9.926 -17.265 1.00 50.41 H new ATOM 0 HE2 LYS A 31 -2.336 -11.467 -19.202 1.00 41.44 H new ATOM 0 HE3 LYS A 31 -1.613 -12.661 -18.142 1.00 41.44 H new ATOM 0 HZ1 LYS A 31 -3.935 -13.144 -18.551 1.00 50.31 H new ATOM 0 HZ2 LYS A 31 -3.697 -12.788 -16.908 1.00 50.31 H new ATOM 0 HZ3 LYS A 31 -4.398 -11.631 -17.935 1.00 50.31 H new ATOM 517 N ASN A 32 0.825 -6.131 -17.160 1.00 0.43 N ATOM 518 CA ASN A 32 0.595 -4.868 -17.924 1.00 70.13 C ATOM 519 C ASN A 32 1.253 -3.667 -17.170 1.00 74.15 C ATOM 520 O ASN A 32 0.573 -2.959 -16.411 1.00 43.24 O ATOM 521 CB ASN A 32 -0.930 -4.626 -18.107 1.00 5.22 C ATOM 522 CG ASN A 32 -1.628 -5.742 -18.871 1.00 33.10 C ATOM 523 OD1 ASN A 32 -2.130 -6.693 -18.284 1.00 74.52 O ATOM 524 ND2 ASN A 32 -1.658 -5.650 -20.188 1.00 24.12 N ATOM 0 H ASN A 32 0.671 -6.019 -16.158 1.00 0.43 H new ATOM 0 HA ASN A 32 1.052 -4.956 -18.910 1.00 70.13 H new ATOM 0 HB2 ASN A 32 -1.394 -4.520 -17.127 1.00 5.22 H new ATOM 0 HB3 ASN A 32 -1.081 -3.684 -18.634 1.00 5.22 H new ATOM 0 HD21 ASN A 32 -2.106 -6.381 -20.740 1.00 24.12 H new ATOM 0 HD22 ASN A 32 -1.233 -4.848 -20.653 1.00 24.12 H new ATOM 531 N PRO A 33 2.606 -3.442 -17.347 1.00 1.54 N ATOM 532 CA PRO A 33 3.423 -2.553 -16.453 1.00 43.31 C ATOM 533 C PRO A 33 2.950 -1.081 -16.352 1.00 63.21 C ATOM 534 O PRO A 33 2.881 -0.518 -15.251 1.00 71.52 O ATOM 535 CB PRO A 33 4.862 -2.663 -17.045 1.00 32.53 C ATOM 536 CG PRO A 33 4.662 -3.140 -18.452 1.00 11.33 C ATOM 537 CD PRO A 33 3.452 -4.048 -18.408 1.00 22.12 C ATOM 0 HA PRO A 33 3.339 -2.881 -15.417 1.00 43.31 H new ATOM 0 HB2 PRO A 33 5.374 -1.701 -17.023 1.00 32.53 H new ATOM 0 HB3 PRO A 33 5.473 -3.362 -16.473 1.00 32.53 H new ATOM 0 HG2 PRO A 33 4.499 -2.302 -19.130 1.00 11.33 H new ATOM 0 HG3 PRO A 33 5.540 -3.675 -18.813 1.00 11.33 H new ATOM 0 HD2 PRO A 33 2.935 -4.076 -19.367 1.00 22.12 H new ATOM 0 HD3 PRO A 33 3.728 -5.074 -18.165 1.00 22.12 H new ATOM 545 N GLU A 34 2.606 -0.473 -17.492 1.00 44.41 N ATOM 546 CA GLU A 34 2.372 0.990 -17.575 1.00 31.31 C ATOM 547 C GLU A 34 0.888 1.341 -17.793 1.00 72.40 C ATOM 548 O GLU A 34 0.558 2.489 -18.102 1.00 11.14 O ATOM 549 CB GLU A 34 3.309 1.577 -18.673 1.00 74.31 C ATOM 550 CG GLU A 34 4.785 1.140 -18.481 1.00 63.11 C ATOM 551 CD GLU A 34 5.787 1.759 -19.458 1.00 3.24 C ATOM 552 OE1 GLU A 34 5.575 1.667 -20.689 1.00 13.35 O ATOM 553 OE2 GLU A 34 6.810 2.322 -19.004 1.00 31.14 O ATOM 0 H GLU A 34 2.481 -0.964 -18.377 1.00 44.41 H new ATOM 0 HA GLU A 34 2.619 1.451 -16.619 1.00 31.31 H new ATOM 0 HB2 GLU A 34 2.962 1.255 -19.655 1.00 74.31 H new ATOM 0 HB3 GLU A 34 3.249 2.665 -18.655 1.00 74.31 H new ATOM 0 HG2 GLU A 34 5.091 1.392 -17.466 1.00 63.11 H new ATOM 0 HG3 GLU A 34 4.839 0.055 -18.571 1.00 63.11 H new ATOM 560 N ASP A 35 -0.004 0.351 -17.585 1.00 11.22 N ATOM 561 CA ASP A 35 -1.461 0.583 -17.524 1.00 3.12 C ATOM 562 C ASP A 35 -1.810 1.303 -16.201 1.00 54.25 C ATOM 563 O ASP A 35 -1.986 0.678 -15.143 1.00 1.41 O ATOM 564 CB ASP A 35 -2.233 -0.751 -17.693 1.00 44.24 C ATOM 565 CG ASP A 35 -2.114 -1.300 -19.127 1.00 31.31 C ATOM 566 OD1 ASP A 35 -0.985 -1.633 -19.555 1.00 43.01 O ATOM 567 OD2 ASP A 35 -3.140 -1.389 -19.838 1.00 10.41 O ATOM 0 H ASP A 35 0.263 -0.625 -17.455 1.00 11.22 H new ATOM 0 HA ASP A 35 -1.768 1.227 -18.348 1.00 3.12 H new ATOM 0 HB2 ASP A 35 -1.846 -1.487 -16.988 1.00 44.24 H new ATOM 0 HB3 ASP A 35 -3.284 -0.597 -17.448 1.00 44.24 H new ATOM 572 N MET A 36 -1.887 2.641 -16.309 1.00 73.13 N ATOM 573 CA MET A 36 -1.951 3.571 -15.168 1.00 23.10 C ATOM 574 C MET A 36 -3.204 3.402 -14.296 1.00 32.33 C ATOM 575 O MET A 36 -3.160 3.730 -13.121 1.00 30.20 O ATOM 576 CB MET A 36 -1.849 5.026 -15.684 1.00 1.53 C ATOM 577 CG MET A 36 -0.548 5.383 -16.440 1.00 55.04 C ATOM 578 SD MET A 36 0.861 5.677 -15.350 1.00 33.52 S ATOM 579 CE MET A 36 1.428 4.032 -14.952 1.00 75.04 C ATOM 0 H MET A 36 -1.907 3.116 -17.211 1.00 73.13 H new ATOM 0 HA MET A 36 -1.106 3.333 -14.522 1.00 23.10 H new ATOM 0 HB2 MET A 36 -2.695 5.217 -16.345 1.00 1.53 H new ATOM 0 HB3 MET A 36 -1.950 5.701 -14.834 1.00 1.53 H new ATOM 0 HG2 MET A 36 -0.303 4.573 -17.127 1.00 55.04 H new ATOM 0 HG3 MET A 36 -0.721 6.273 -17.045 1.00 55.04 H new ATOM 0 HE1 MET A 36 1.510 3.927 -13.870 1.00 75.04 H new ATOM 0 HE2 MET A 36 0.717 3.300 -15.335 1.00 75.04 H new ATOM 0 HE3 MET A 36 2.404 3.863 -15.408 1.00 75.04 H new ATOM 589 N GLU A 37 -4.303 2.911 -14.885 1.00 21.00 N ATOM 590 CA GLU A 37 -5.590 2.668 -14.171 1.00 53.02 C ATOM 591 C GLU A 37 -5.402 1.822 -12.884 1.00 34.34 C ATOM 592 O GLU A 37 -5.953 2.158 -11.826 1.00 71.01 O ATOM 593 CB GLU A 37 -6.599 1.976 -15.114 1.00 33.55 C ATOM 594 CG GLU A 37 -7.965 1.649 -14.469 1.00 12.02 C ATOM 595 CD GLU A 37 -8.935 0.982 -15.449 1.00 14.42 C ATOM 596 OE1 GLU A 37 -8.804 -0.237 -15.688 1.00 61.33 O ATOM 597 OE2 GLU A 37 -9.811 1.675 -16.007 1.00 64.34 O ATOM 0 H GLU A 37 -4.337 2.666 -15.875 1.00 21.00 H new ATOM 0 HA GLU A 37 -5.977 3.640 -13.867 1.00 53.02 H new ATOM 0 HB2 GLU A 37 -6.765 2.617 -15.980 1.00 33.55 H new ATOM 0 HB3 GLU A 37 -6.156 1.051 -15.483 1.00 33.55 H new ATOM 0 HG2 GLU A 37 -7.810 0.992 -13.613 1.00 12.02 H new ATOM 0 HG3 GLU A 37 -8.412 2.568 -14.089 1.00 12.02 H new ATOM 604 N TYR A 38 -4.605 0.740 -12.992 1.00 44.20 N ATOM 605 CA TYR A 38 -4.220 -0.097 -11.831 1.00 30.34 C ATOM 606 C TYR A 38 -3.476 0.726 -10.759 1.00 14.01 C ATOM 607 O TYR A 38 -3.740 0.577 -9.571 1.00 62.15 O ATOM 608 CB TYR A 38 -3.360 -1.311 -12.287 1.00 4.14 C ATOM 609 CG TYR A 38 -4.196 -2.455 -12.881 1.00 20.53 C ATOM 610 CD1 TYR A 38 -4.953 -3.288 -12.047 1.00 71.53 C ATOM 611 CD2 TYR A 38 -4.253 -2.686 -14.256 1.00 10.23 C ATOM 612 CE1 TYR A 38 -5.726 -4.304 -12.564 1.00 1.40 C ATOM 613 CE2 TYR A 38 -5.026 -3.708 -14.774 1.00 65.14 C ATOM 614 CZ TYR A 38 -5.763 -4.508 -13.923 1.00 51.32 C ATOM 615 OH TYR A 38 -6.539 -5.524 -14.435 1.00 14.14 O ATOM 0 H TYR A 38 -4.211 0.421 -13.877 1.00 44.20 H new ATOM 0 HA TYR A 38 -5.138 -0.474 -11.379 1.00 30.34 H new ATOM 0 HB2 TYR A 38 -2.635 -0.976 -13.029 1.00 4.14 H new ATOM 0 HB3 TYR A 38 -2.794 -1.688 -11.435 1.00 4.14 H new ATOM 0 HD1 TYR A 38 -4.930 -3.131 -10.979 1.00 71.53 H new ATOM 0 HD2 TYR A 38 -3.685 -2.057 -14.925 1.00 10.23 H new ATOM 0 HE1 TYR A 38 -6.301 -4.938 -11.905 1.00 1.40 H new ATOM 0 HE2 TYR A 38 -5.054 -3.880 -15.840 1.00 65.14 H new ATOM 0 HH TYR A 38 -6.458 -5.537 -15.412 1.00 14.14 H new ATOM 625 N TRP A 39 -2.579 1.616 -11.205 1.00 55.30 N ATOM 626 CA TRP A 39 -1.792 2.490 -10.311 1.00 44.32 C ATOM 627 C TRP A 39 -2.629 3.629 -9.673 1.00 74.41 C ATOM 628 O TRP A 39 -2.301 4.065 -8.575 1.00 3.32 O ATOM 629 CB TRP A 39 -0.547 3.044 -11.045 1.00 21.42 C ATOM 630 CG TRP A 39 0.516 1.992 -11.283 1.00 5.22 C ATOM 631 CD1 TRP A 39 1.002 1.557 -12.482 1.00 3.13 C ATOM 632 CD2 TRP A 39 1.200 1.215 -10.273 1.00 33.24 C ATOM 633 NE1 TRP A 39 1.966 0.607 -12.284 1.00 2.33 N ATOM 634 CE2 TRP A 39 2.095 0.368 -10.939 1.00 54.40 C ATOM 635 CE3 TRP A 39 1.149 1.159 -8.875 1.00 15.43 C ATOM 636 CZ2 TRP A 39 2.930 -0.520 -10.260 1.00 73.20 C ATOM 637 CZ3 TRP A 39 1.975 0.275 -8.205 1.00 13.34 C ATOM 638 CH2 TRP A 39 2.854 -0.556 -8.903 1.00 1.11 C ATOM 0 H TRP A 39 -2.375 1.754 -12.195 1.00 55.30 H new ATOM 0 HA TRP A 39 -1.459 1.867 -9.481 1.00 44.32 H new ATOM 0 HB2 TRP A 39 -0.854 3.466 -12.002 1.00 21.42 H new ATOM 0 HB3 TRP A 39 -0.120 3.859 -10.460 1.00 21.42 H new ATOM 0 HD1 TRP A 39 0.673 1.912 -13.448 1.00 3.13 H new ATOM 0 HE1 TRP A 39 2.504 0.149 -13.020 1.00 2.33 H new ATOM 0 HE3 TRP A 39 0.473 1.798 -8.327 1.00 15.43 H new ATOM 0 HZ2 TRP A 39 3.616 -1.159 -10.796 1.00 73.20 H new ATOM 0 HZ3 TRP A 39 1.940 0.227 -7.127 1.00 13.34 H new ATOM 0 HH2 TRP A 39 3.485 -1.240 -8.355 1.00 1.11 H new ATOM 649 N ASN A 40 -3.700 4.108 -10.348 1.00 2.50 N ATOM 650 CA ASN A 40 -4.663 5.069 -9.732 1.00 3.03 C ATOM 651 C ASN A 40 -5.374 4.404 -8.536 1.00 65.10 C ATOM 652 O ASN A 40 -5.530 5.010 -7.472 1.00 11.25 O ATOM 653 CB ASN A 40 -5.724 5.567 -10.748 1.00 41.23 C ATOM 654 CG ASN A 40 -5.146 6.476 -11.829 1.00 10.21 C ATOM 655 OD1 ASN A 40 -4.763 5.911 -12.937 1.00 54.24 O flip ATOM 656 ND2 ASN A 40 -5.051 7.685 -11.667 1.00 41.43 N flip ATOM 0 H ASN A 40 -3.923 3.852 -11.310 1.00 2.50 H new ATOM 0 HA ASN A 40 -4.089 5.933 -9.397 1.00 3.03 H new ATOM 0 HB2 ASN A 40 -6.196 4.706 -11.221 1.00 41.23 H new ATOM 0 HB3 ASN A 40 -6.506 6.104 -10.212 1.00 41.23 H new ATOM 0 HD21 ASN A 40 -5.357 8.108 -10.791 1.00 41.43 H new ATOM 0 HD22 ASN A 40 -4.666 8.270 -12.408 1.00 41.43 H new ATOM 663 N LYS A 41 -5.788 3.140 -8.742 1.00 32.42 N ATOM 664 CA LYS A 41 -6.414 2.319 -7.691 1.00 11.54 C ATOM 665 C LYS A 41 -5.450 2.093 -6.504 1.00 33.54 C ATOM 666 O LYS A 41 -5.754 2.493 -5.385 1.00 5.34 O ATOM 667 CB LYS A 41 -6.879 0.955 -8.266 1.00 23.35 C ATOM 668 CG LYS A 41 -7.975 1.054 -9.361 1.00 63.51 C ATOM 669 CD LYS A 41 -8.644 -0.308 -9.666 1.00 55.40 C ATOM 670 CE LYS A 41 -7.646 -1.384 -10.124 1.00 43.52 C ATOM 671 NZ LYS A 41 -8.256 -2.737 -10.126 1.00 21.31 N ATOM 0 H LYS A 41 -5.698 2.661 -9.638 1.00 32.42 H new ATOM 0 HA LYS A 41 -7.284 2.863 -7.324 1.00 11.54 H new ATOM 0 HB2 LYS A 41 -6.015 0.437 -8.682 1.00 23.35 H new ATOM 0 HB3 LYS A 41 -7.256 0.340 -7.448 1.00 23.35 H new ATOM 0 HG2 LYS A 41 -8.737 1.765 -9.042 1.00 63.51 H new ATOM 0 HG3 LYS A 41 -7.533 1.449 -10.276 1.00 63.51 H new ATOM 0 HD2 LYS A 41 -9.162 -0.659 -8.774 1.00 55.40 H new ATOM 0 HD3 LYS A 41 -9.399 -0.169 -10.440 1.00 55.40 H new ATOM 0 HE2 LYS A 41 -7.288 -1.145 -11.126 1.00 43.52 H new ATOM 0 HE3 LYS A 41 -6.777 -1.378 -9.465 1.00 43.52 H new ATOM 0 HZ1 LYS A 41 -7.644 -3.395 -9.602 1.00 21.31 H new ATOM 0 HZ2 LYS A 41 -9.190 -2.697 -9.671 1.00 21.31 H new ATOM 0 HZ3 LYS A 41 -8.362 -3.069 -11.106 1.00 21.31 H new ATOM 685 N ILE A 42 -4.261 1.523 -6.794 1.00 32.52 N ATOM 686 CA ILE A 42 -3.223 1.210 -5.780 1.00 15.22 C ATOM 687 C ILE A 42 -2.796 2.479 -4.991 1.00 11.20 C ATOM 688 O ILE A 42 -2.588 2.415 -3.787 1.00 2.55 O ATOM 689 CB ILE A 42 -1.962 0.527 -6.453 1.00 75.31 C ATOM 690 CG1 ILE A 42 -2.361 -0.848 -7.094 1.00 65.03 C ATOM 691 CG2 ILE A 42 -0.783 0.344 -5.453 1.00 21.43 C ATOM 692 CD1 ILE A 42 -1.281 -1.499 -7.955 1.00 72.30 C ATOM 0 H ILE A 42 -3.990 1.264 -7.743 1.00 32.52 H new ATOM 0 HA ILE A 42 -3.661 0.507 -5.072 1.00 15.22 H new ATOM 0 HB ILE A 42 -1.613 1.198 -7.238 1.00 75.31 H new ATOM 0 HG12 ILE A 42 -2.632 -1.538 -6.295 1.00 65.03 H new ATOM 0 HG13 ILE A 42 -3.252 -0.702 -7.705 1.00 65.03 H new ATOM 0 HG21 ILE A 42 0.057 -0.128 -5.963 1.00 21.43 H new ATOM 0 HG22 ILE A 42 -0.475 1.318 -5.072 1.00 21.43 H new ATOM 0 HG23 ILE A 42 -1.104 -0.286 -4.623 1.00 21.43 H new ATOM 0 HD11 ILE A 42 -1.653 -2.443 -8.352 1.00 72.30 H new ATOM 0 HD12 ILE A 42 -1.024 -0.834 -8.780 1.00 72.30 H new ATOM 0 HD13 ILE A 42 -0.395 -1.684 -7.348 1.00 72.30 H new ATOM 704 N TYR A 43 -2.705 3.626 -5.688 1.00 0.31 N ATOM 705 CA TYR A 43 -2.381 4.936 -5.071 1.00 21.43 C ATOM 706 C TYR A 43 -3.420 5.321 -3.978 1.00 50.11 C ATOM 707 O TYR A 43 -3.045 5.737 -2.877 1.00 52.14 O ATOM 708 CB TYR A 43 -2.312 6.036 -6.167 1.00 60.15 C ATOM 709 CG TYR A 43 -1.896 7.428 -5.662 1.00 63.02 C ATOM 710 CD1 TYR A 43 -0.549 7.778 -5.532 1.00 40.10 C ATOM 711 CD2 TYR A 43 -2.852 8.388 -5.305 1.00 62.23 C ATOM 712 CE1 TYR A 43 -0.180 9.026 -5.068 1.00 55.34 C ATOM 713 CE2 TYR A 43 -2.478 9.630 -4.837 1.00 4.31 C ATOM 714 CZ TYR A 43 -1.145 9.944 -4.723 1.00 63.23 C ATOM 715 OH TYR A 43 -0.777 11.183 -4.246 1.00 63.51 O ATOM 0 H TYR A 43 -2.853 3.676 -6.696 1.00 0.31 H new ATOM 0 HA TYR A 43 -1.408 4.853 -4.587 1.00 21.43 H new ATOM 0 HB2 TYR A 43 -1.607 5.719 -6.936 1.00 60.15 H new ATOM 0 HB3 TYR A 43 -3.289 6.115 -6.644 1.00 60.15 H new ATOM 0 HD1 TYR A 43 0.215 7.062 -5.798 1.00 40.10 H new ATOM 0 HD2 TYR A 43 -3.902 8.151 -5.398 1.00 62.23 H new ATOM 0 HE1 TYR A 43 0.865 9.281 -4.976 1.00 55.34 H new ATOM 0 HE2 TYR A 43 -3.230 10.354 -4.561 1.00 4.31 H new ATOM 0 HH TYR A 43 -1.580 11.710 -4.051 1.00 63.51 H new ATOM 725 N ARG A 44 -4.718 5.169 -4.306 1.00 2.13 N ATOM 726 CA ARG A 44 -5.838 5.483 -3.381 1.00 34.22 C ATOM 727 C ARG A 44 -5.935 4.470 -2.212 1.00 62.45 C ATOM 728 O ARG A 44 -6.227 4.852 -1.077 1.00 63.21 O ATOM 729 CB ARG A 44 -7.184 5.521 -4.149 1.00 71.14 C ATOM 730 CG ARG A 44 -7.270 6.611 -5.237 1.00 1.24 C ATOM 731 CD ARG A 44 -8.640 6.641 -5.947 1.00 64.32 C ATOM 732 NE ARG A 44 -8.967 5.352 -6.600 1.00 33.15 N ATOM 733 CZ ARG A 44 -9.043 5.145 -7.898 1.00 31.23 C ATOM 734 NH1 ARG A 44 -8.715 6.064 -8.749 1.00 23.03 N ATOM 735 NH2 ARG A 44 -9.412 3.991 -8.339 1.00 35.04 N ATOM 0 H ARG A 44 -5.025 4.826 -5.216 1.00 2.13 H new ATOM 0 HA ARG A 44 -5.631 6.465 -2.956 1.00 34.22 H new ATOM 0 HB2 ARG A 44 -7.351 4.549 -4.613 1.00 71.14 H new ATOM 0 HB3 ARG A 44 -7.992 5.675 -3.433 1.00 71.14 H new ATOM 0 HG2 ARG A 44 -7.079 7.584 -4.785 1.00 1.24 H new ATOM 0 HG3 ARG A 44 -6.487 6.443 -5.976 1.00 1.24 H new ATOM 0 HD2 ARG A 44 -9.416 6.885 -5.222 1.00 64.32 H new ATOM 0 HD3 ARG A 44 -8.641 7.434 -6.695 1.00 64.32 H new ATOM 0 HE ARG A 44 -9.149 4.555 -5.990 1.00 33.15 H new ATOM 0 HH11 ARG A 44 -8.389 6.972 -8.418 1.00 23.03 H new ATOM 0 HH12 ARG A 44 -8.782 5.880 -9.750 1.00 23.03 H new ATOM 0 HH21 ARG A 44 -9.643 3.245 -7.683 1.00 35.04 H new ATOM 0 HH22 ARG A 44 -9.473 3.825 -9.343 1.00 35.04 H new ATOM 749 N LEU A 45 -5.694 3.184 -2.513 1.00 41.44 N ATOM 750 CA LEU A 45 -5.752 2.088 -1.516 1.00 34.41 C ATOM 751 C LEU A 45 -4.595 2.203 -0.489 1.00 64.14 C ATOM 752 O LEU A 45 -4.786 1.978 0.703 1.00 75.12 O ATOM 753 CB LEU A 45 -5.709 0.718 -2.235 1.00 61.51 C ATOM 754 CG LEU A 45 -6.836 0.455 -3.291 1.00 35.33 C ATOM 755 CD1 LEU A 45 -6.594 -0.868 -4.052 1.00 2.25 C ATOM 756 CD2 LEU A 45 -8.247 0.496 -2.658 1.00 62.11 C ATOM 0 H LEU A 45 -5.453 2.868 -3.453 1.00 41.44 H new ATOM 0 HA LEU A 45 -6.690 2.171 -0.968 1.00 34.41 H new ATOM 0 HB2 LEU A 45 -4.744 0.623 -2.733 1.00 61.51 H new ATOM 0 HB3 LEU A 45 -5.757 -0.067 -1.480 1.00 61.51 H new ATOM 0 HG LEU A 45 -6.792 1.267 -4.016 1.00 35.33 H new ATOM 0 HD11 LEU A 45 -7.393 -1.022 -4.777 1.00 2.25 H new ATOM 0 HD12 LEU A 45 -5.637 -0.819 -4.571 1.00 2.25 H new ATOM 0 HD13 LEU A 45 -6.581 -1.697 -3.345 1.00 2.25 H new ATOM 0 HD21 LEU A 45 -8.996 0.308 -3.427 1.00 62.11 H new ATOM 0 HD22 LEU A 45 -8.321 -0.269 -1.885 1.00 62.11 H new ATOM 0 HD23 LEU A 45 -8.419 1.477 -2.216 1.00 62.11 H new ATOM 768 N VAL A 46 -3.400 2.568 -0.982 1.00 73.42 N ATOM 769 CA VAL A 46 -2.216 2.869 -0.142 1.00 43.41 C ATOM 770 C VAL A 46 -2.413 4.188 0.653 1.00 20.31 C ATOM 771 O VAL A 46 -1.978 4.297 1.803 1.00 43.20 O ATOM 772 CB VAL A 46 -0.903 2.929 -1.014 1.00 62.30 C ATOM 773 CG1 VAL A 46 0.282 3.541 -0.233 1.00 62.41 C ATOM 774 CG2 VAL A 46 -0.537 1.516 -1.553 1.00 62.12 C ATOM 0 H VAL A 46 -3.221 2.665 -1.982 1.00 73.42 H new ATOM 0 HA VAL A 46 -2.106 2.058 0.578 1.00 43.41 H new ATOM 0 HB VAL A 46 -1.105 3.584 -1.861 1.00 62.30 H new ATOM 0 HG11 VAL A 46 1.166 3.563 -0.871 1.00 62.41 H new ATOM 0 HG12 VAL A 46 0.030 4.556 0.074 1.00 62.41 H new ATOM 0 HG13 VAL A 46 0.487 2.936 0.650 1.00 62.41 H new ATOM 0 HG21 VAL A 46 0.372 1.579 -2.152 1.00 62.12 H new ATOM 0 HG22 VAL A 46 -0.373 0.838 -0.715 1.00 62.12 H new ATOM 0 HG23 VAL A 46 -1.353 1.139 -2.170 1.00 62.12 H new ATOM 784 N HIS A 47 -3.071 5.184 0.022 1.00 43.11 N ATOM 785 CA HIS A 47 -3.500 6.433 0.705 1.00 73.43 C ATOM 786 C HIS A 47 -4.468 6.120 1.878 1.00 0.05 C ATOM 787 O HIS A 47 -4.457 6.802 2.906 1.00 52.13 O ATOM 788 CB HIS A 47 -4.164 7.404 -0.311 1.00 14.33 C ATOM 789 CG HIS A 47 -4.794 8.629 0.310 1.00 22.25 C ATOM 790 ND1 HIS A 47 -4.260 9.807 0.712 1.00 5.43 N flip ATOM 791 CD2 HIS A 47 -6.136 8.707 0.613 1.00 43.11 C flip ATOM 792 CE1 HIS A 47 -5.282 10.556 1.235 1.00 14.33 C flip ATOM 793 NE2 HIS A 47 -6.399 9.868 1.162 1.00 1.53 N flip ATOM 0 H HIS A 47 -3.320 5.150 -0.967 1.00 43.11 H new ATOM 0 HA HIS A 47 -2.616 6.917 1.120 1.00 73.43 H new ATOM 0 HB2 HIS A 47 -3.412 7.724 -1.032 1.00 14.33 H new ATOM 0 HB3 HIS A 47 -4.928 6.861 -0.867 1.00 14.33 H new ATOM 0 HD2 HIS A 47 -6.862 7.929 0.426 1.00 43.11 H new ATOM 0 HE1 HIS A 47 -5.185 11.552 1.642 1.00 14.33 H new ATOM 0 HE2 HIS A 47 -7.316 10.184 1.479 1.00 1.53 H new ATOM 802 N THR A 48 -5.295 5.074 1.695 1.00 31.11 N ATOM 803 CA THR A 48 -6.216 4.581 2.740 1.00 21.34 C ATOM 804 C THR A 48 -5.425 3.878 3.874 1.00 51.12 C ATOM 805 O THR A 48 -5.740 4.063 5.039 1.00 74.31 O ATOM 806 CB THR A 48 -7.296 3.606 2.151 1.00 3.23 C ATOM 807 OG1 THR A 48 -8.016 4.258 1.092 1.00 71.14 O ATOM 808 CG2 THR A 48 -8.299 3.114 3.219 1.00 71.13 C ATOM 0 H THR A 48 -5.345 4.548 0.823 1.00 31.11 H new ATOM 0 HA THR A 48 -6.736 5.446 3.151 1.00 21.34 H new ATOM 0 HB THR A 48 -6.763 2.734 1.771 1.00 3.23 H new ATOM 0 HG1 THR A 48 -7.402 4.460 0.355 1.00 71.14 H new ATOM 0 HG21 THR A 48 -9.023 2.443 2.757 1.00 71.13 H new ATOM 0 HG22 THR A 48 -7.762 2.583 4.005 1.00 71.13 H new ATOM 0 HG23 THR A 48 -8.820 3.969 3.650 1.00 71.13 H new ATOM 816 N MET A 49 -4.386 3.085 3.508 1.00 10.51 N ATOM 817 CA MET A 49 -3.462 2.427 4.488 1.00 20.42 C ATOM 818 C MET A 49 -2.694 3.466 5.333 1.00 25.13 C ATOM 819 O MET A 49 -2.453 3.259 6.524 1.00 53.23 O ATOM 820 CB MET A 49 -2.434 1.523 3.759 1.00 33.21 C ATOM 821 CG MET A 49 -3.042 0.389 2.955 1.00 62.15 C ATOM 822 SD MET A 49 -1.805 -0.579 2.079 1.00 12.30 S ATOM 823 CE MET A 49 -2.849 -1.795 1.286 1.00 2.12 C ATOM 0 H MET A 49 -4.160 2.880 2.535 1.00 10.51 H new ATOM 0 HA MET A 49 -4.084 1.822 5.147 1.00 20.42 H new ATOM 0 HB2 MET A 49 -1.835 2.143 3.091 1.00 33.21 H new ATOM 0 HB3 MET A 49 -1.753 1.101 4.499 1.00 33.21 H new ATOM 0 HG2 MET A 49 -3.603 -0.265 3.623 1.00 62.15 H new ATOM 0 HG3 MET A 49 -3.753 0.798 2.237 1.00 62.15 H new ATOM 0 HE1 MET A 49 -2.229 -2.508 0.743 1.00 2.12 H new ATOM 0 HE2 MET A 49 -3.432 -2.322 2.041 1.00 2.12 H new ATOM 0 HE3 MET A 49 -3.524 -1.297 0.590 1.00 2.12 H new ATOM 833 N LYS A 50 -2.298 4.565 4.674 1.00 12.32 N ATOM 834 CA LYS A 50 -1.636 5.712 5.313 1.00 60.34 C ATOM 835 C LYS A 50 -2.589 6.386 6.321 1.00 22.11 C ATOM 836 O LYS A 50 -2.228 6.605 7.469 1.00 33.30 O ATOM 837 CB LYS A 50 -1.186 6.717 4.228 1.00 44.33 C ATOM 838 CG LYS A 50 -0.452 7.961 4.767 1.00 62.02 C ATOM 839 CD LYS A 50 -0.023 8.927 3.638 1.00 70.13 C ATOM 840 CE LYS A 50 0.540 10.250 4.168 1.00 42.05 C ATOM 841 NZ LYS A 50 -0.485 11.052 4.879 1.00 54.42 N ATOM 0 H LYS A 50 -2.430 4.684 3.670 1.00 12.32 H new ATOM 0 HA LYS A 50 -0.758 5.365 5.858 1.00 60.34 H new ATOM 0 HB2 LYS A 50 -0.532 6.202 3.524 1.00 44.33 H new ATOM 0 HB3 LYS A 50 -2.063 7.043 3.668 1.00 44.33 H new ATOM 0 HG2 LYS A 50 -1.101 8.488 5.466 1.00 62.02 H new ATOM 0 HG3 LYS A 50 0.429 7.646 5.326 1.00 62.02 H new ATOM 0 HD2 LYS A 50 0.729 8.441 3.017 1.00 70.13 H new ATOM 0 HD3 LYS A 50 -0.881 9.133 2.998 1.00 70.13 H new ATOM 0 HE2 LYS A 50 1.370 10.045 4.843 1.00 42.05 H new ATOM 0 HE3 LYS A 50 0.941 10.831 3.337 1.00 42.05 H new ATOM 0 HZ1 LYS A 50 -0.673 11.925 4.346 1.00 54.42 H new ATOM 0 HZ2 LYS A 50 -1.363 10.500 4.961 1.00 54.42 H new ATOM 0 HZ3 LYS A 50 -0.139 11.294 5.829 1.00 54.42 H new ATOM 855 N GLU A 51 -3.819 6.668 5.859 1.00 34.40 N ATOM 856 CA GLU A 51 -4.917 7.213 6.690 1.00 24.20 C ATOM 857 C GLU A 51 -5.210 6.310 7.924 1.00 74.54 C ATOM 858 O GLU A 51 -5.448 6.816 9.032 1.00 23.01 O ATOM 859 CB GLU A 51 -6.184 7.340 5.806 1.00 63.42 C ATOM 860 CG GLU A 51 -7.444 7.842 6.533 1.00 31.22 C ATOM 861 CD GLU A 51 -8.700 7.829 5.642 1.00 15.12 C ATOM 862 OE1 GLU A 51 -9.290 6.744 5.456 1.00 33.33 O ATOM 863 OE2 GLU A 51 -9.091 8.894 5.115 1.00 35.41 O ATOM 0 H GLU A 51 -4.087 6.523 4.885 1.00 34.40 H new ATOM 0 HA GLU A 51 -4.619 8.189 7.072 1.00 24.20 H new ATOM 0 HB2 GLU A 51 -5.965 8.019 4.981 1.00 63.42 H new ATOM 0 HB3 GLU A 51 -6.401 6.366 5.368 1.00 63.42 H new ATOM 0 HG2 GLU A 51 -7.622 7.221 7.411 1.00 31.22 H new ATOM 0 HG3 GLU A 51 -7.270 8.857 6.891 1.00 31.22 H new ATOM 870 N ILE A 52 -5.179 4.976 7.703 1.00 64.10 N ATOM 871 CA ILE A 52 -5.343 3.958 8.764 1.00 52.24 C ATOM 872 C ILE A 52 -4.244 4.117 9.835 1.00 21.11 C ATOM 873 O ILE A 52 -4.540 4.407 10.981 1.00 52.13 O ATOM 874 CB ILE A 52 -5.326 2.481 8.167 1.00 74.10 C ATOM 875 CG1 ILE A 52 -6.643 2.193 7.361 1.00 21.10 C ATOM 876 CG2 ILE A 52 -5.086 1.388 9.255 1.00 43.24 C ATOM 877 CD1 ILE A 52 -6.666 0.862 6.617 1.00 61.54 C ATOM 0 H ILE A 52 -5.038 4.574 6.776 1.00 64.10 H new ATOM 0 HA ILE A 52 -6.316 4.117 9.228 1.00 52.24 H new ATOM 0 HB ILE A 52 -4.477 2.428 7.485 1.00 74.10 H new ATOM 0 HG12 ILE A 52 -7.487 2.221 8.051 1.00 21.10 H new ATOM 0 HG13 ILE A 52 -6.793 2.997 6.641 1.00 21.10 H new ATOM 0 HG21 ILE A 52 -5.085 0.403 8.788 1.00 43.24 H new ATOM 0 HG22 ILE A 52 -4.125 1.561 9.739 1.00 43.24 H new ATOM 0 HG23 ILE A 52 -5.881 1.435 10.000 1.00 43.24 H new ATOM 0 HD11 ILE A 52 -7.615 0.755 6.092 1.00 61.54 H new ATOM 0 HD12 ILE A 52 -5.848 0.833 5.898 1.00 61.54 H new ATOM 0 HD13 ILE A 52 -6.552 0.045 7.329 1.00 61.54 H new ATOM 889 N THR A 53 -2.973 3.991 9.436 1.00 23.12 N ATOM 890 CA THR A 53 -1.841 4.007 10.388 1.00 43.33 C ATOM 891 C THR A 53 -1.675 5.388 11.092 1.00 51.45 C ATOM 892 O THR A 53 -1.185 5.448 12.219 1.00 30.10 O ATOM 893 CB THR A 53 -0.504 3.548 9.730 1.00 73.22 C ATOM 894 OG1 THR A 53 0.530 3.551 10.689 1.00 23.21 O ATOM 895 CG2 THR A 53 -0.091 4.421 8.552 1.00 60.05 C ATOM 0 H THR A 53 -2.696 3.876 8.461 1.00 23.12 H new ATOM 0 HA THR A 53 -2.090 3.278 11.159 1.00 43.33 H new ATOM 0 HB THR A 53 -0.674 2.541 9.349 1.00 73.22 H new ATOM 0 HG1 THR A 53 0.917 4.449 10.750 1.00 23.21 H new ATOM 0 HG21 THR A 53 0.846 4.052 8.136 1.00 60.05 H new ATOM 0 HG22 THR A 53 -0.866 4.388 7.786 1.00 60.05 H new ATOM 0 HG23 THR A 53 0.042 5.449 8.890 1.00 60.05 H new ATOM 903 N GLU A 54 -2.093 6.484 10.425 1.00 70.02 N ATOM 904 CA GLU A 54 -2.142 7.838 11.040 1.00 32.45 C ATOM 905 C GLU A 54 -3.191 7.911 12.183 1.00 73.00 C ATOM 906 O GLU A 54 -2.893 8.431 13.265 1.00 2.54 O ATOM 907 CB GLU A 54 -2.426 8.928 9.970 1.00 72.10 C ATOM 908 CG GLU A 54 -1.263 9.168 8.988 1.00 61.04 C ATOM 909 CD GLU A 54 -1.592 10.211 7.908 1.00 20.43 C ATOM 910 OE1 GLU A 54 -2.293 9.873 6.929 1.00 70.25 O ATOM 911 OE2 GLU A 54 -1.158 11.377 8.030 1.00 4.34 O ATOM 0 H GLU A 54 -2.404 6.462 9.454 1.00 70.02 H new ATOM 0 HA GLU A 54 -1.161 8.030 11.475 1.00 32.45 H new ATOM 0 HB2 GLU A 54 -3.312 8.642 9.403 1.00 72.10 H new ATOM 0 HB3 GLU A 54 -2.659 9.865 10.475 1.00 72.10 H new ATOM 0 HG2 GLU A 54 -0.386 9.496 9.546 1.00 61.04 H new ATOM 0 HG3 GLU A 54 -1.001 8.226 8.507 1.00 61.04 H new ATOM 918 N THR A 55 -4.419 7.379 11.947 1.00 2.22 N ATOM 919 CA THR A 55 -5.480 7.330 13.004 1.00 21.51 C ATOM 920 C THR A 55 -5.156 6.257 14.084 1.00 4.51 C ATOM 921 O THR A 55 -5.681 6.307 15.200 1.00 24.54 O ATOM 922 CB THR A 55 -6.934 7.123 12.427 1.00 4.11 C ATOM 923 OG1 THR A 55 -7.907 7.303 13.473 1.00 34.32 O ATOM 924 CG2 THR A 55 -7.152 5.741 11.790 1.00 75.44 C ATOM 0 H THR A 55 -4.702 6.982 11.051 1.00 2.22 H new ATOM 0 HA THR A 55 -5.473 8.313 13.475 1.00 21.51 H new ATOM 0 HB THR A 55 -7.054 7.868 11.641 1.00 4.11 H new ATOM 0 HG1 THR A 55 -8.807 7.175 13.108 1.00 34.32 H new ATOM 0 HG21 THR A 55 -8.173 5.670 11.415 1.00 75.44 H new ATOM 0 HG22 THR A 55 -6.452 5.606 10.965 1.00 75.44 H new ATOM 0 HG23 THR A 55 -6.985 4.965 12.538 1.00 75.44 H new ATOM 932 N MET A 56 -4.289 5.288 13.728 1.00 45.33 N ATOM 933 CA MET A 56 -3.727 4.286 14.678 1.00 20.44 C ATOM 934 C MET A 56 -2.564 4.892 15.525 1.00 14.12 C ATOM 935 O MET A 56 -2.152 4.305 16.527 1.00 42.50 O ATOM 936 CB MET A 56 -3.225 3.048 13.883 1.00 31.42 C ATOM 937 CG MET A 56 -4.323 2.267 13.130 1.00 51.11 C ATOM 938 SD MET A 56 -5.271 1.151 14.180 1.00 52.33 S ATOM 939 CE MET A 56 -4.055 -0.130 14.491 1.00 71.44 C ATOM 0 H MET A 56 -3.953 5.171 12.772 1.00 45.33 H new ATOM 0 HA MET A 56 -4.515 3.985 15.369 1.00 20.44 H new ATOM 0 HB2 MET A 56 -2.476 3.377 13.163 1.00 31.42 H new ATOM 0 HB3 MET A 56 -2.726 2.369 14.574 1.00 31.42 H new ATOM 0 HG2 MET A 56 -5.005 2.977 12.662 1.00 51.11 H new ATOM 0 HG3 MET A 56 -3.861 1.692 12.328 1.00 51.11 H new ATOM 0 HE1 MET A 56 -4.517 -0.941 15.055 1.00 71.44 H new ATOM 0 HE2 MET A 56 -3.681 -0.515 13.542 1.00 71.44 H new ATOM 0 HE3 MET A 56 -3.227 0.286 15.065 1.00 71.44 H new ATOM 949 N GLY A 57 -2.032 6.058 15.083 1.00 52.11 N ATOM 950 CA GLY A 57 -0.971 6.791 15.811 1.00 24.04 C ATOM 951 C GLY A 57 0.459 6.478 15.331 1.00 63.42 C ATOM 952 O GLY A 57 1.424 7.100 15.792 1.00 1.42 O ATOM 0 H GLY A 57 -2.325 6.513 14.218 1.00 52.11 H new ATOM 0 HA2 GLY A 57 -1.150 7.861 15.709 1.00 24.04 H new ATOM 0 HA3 GLY A 57 -1.045 6.555 16.873 1.00 24.04 H new ATOM 956 N PHE A 58 0.589 5.528 14.390 1.00 14.12 N ATOM 957 CA PHE A 58 1.888 5.041 13.883 1.00 31.32 C ATOM 958 C PHE A 58 2.420 5.910 12.705 1.00 31.44 C ATOM 959 O PHE A 58 2.173 5.622 11.529 1.00 24.44 O ATOM 960 CB PHE A 58 1.721 3.555 13.468 1.00 3.24 C ATOM 961 CG PHE A 58 1.350 2.631 14.631 1.00 71.10 C ATOM 962 CD1 PHE A 58 2.207 2.472 15.717 1.00 34.02 C ATOM 963 CD2 PHE A 58 0.133 1.945 14.646 1.00 1.13 C ATOM 964 CE1 PHE A 58 1.858 1.660 16.780 1.00 11.02 C ATOM 965 CE2 PHE A 58 -0.216 1.138 15.712 1.00 65.42 C ATOM 966 CZ PHE A 58 0.649 0.993 16.776 1.00 73.53 C ATOM 0 H PHE A 58 -0.211 5.070 13.954 1.00 14.12 H new ATOM 0 HA PHE A 58 2.636 5.122 14.672 1.00 31.32 H new ATOM 0 HB2 PHE A 58 0.951 3.485 12.700 1.00 3.24 H new ATOM 0 HB3 PHE A 58 2.651 3.205 13.020 1.00 3.24 H new ATOM 0 HD1 PHE A 58 3.155 2.989 15.729 1.00 34.02 H new ATOM 0 HD2 PHE A 58 -0.545 2.047 13.812 1.00 1.13 H new ATOM 0 HE1 PHE A 58 2.533 1.547 17.616 1.00 11.02 H new ATOM 0 HE2 PHE A 58 -1.165 0.622 15.712 1.00 65.42 H new ATOM 0 HZ PHE A 58 0.381 0.357 17.607 1.00 73.53 H new ATOM 976 N SER A 59 3.143 6.994 13.040 1.00 44.33 N ATOM 977 CA SER A 59 3.761 7.901 12.033 1.00 51.53 C ATOM 978 C SER A 59 4.913 7.209 11.266 1.00 4.42 C ATOM 979 O SER A 59 5.167 7.527 10.101 1.00 21.54 O ATOM 980 CB SER A 59 4.279 9.190 12.713 1.00 44.44 C ATOM 981 OG SER A 59 3.223 9.898 13.347 1.00 63.12 O ATOM 0 H SER A 59 3.319 7.272 14.006 1.00 44.33 H new ATOM 0 HA SER A 59 2.987 8.160 11.311 1.00 51.53 H new ATOM 0 HB2 SER A 59 5.042 8.935 13.449 1.00 44.44 H new ATOM 0 HB3 SER A 59 4.754 9.830 11.970 1.00 44.44 H new ATOM 0 HG SER A 59 3.579 10.707 13.770 1.00 63.12 H new ATOM 987 N SER A 60 5.589 6.254 11.939 1.00 43.20 N ATOM 988 CA SER A 60 6.687 5.445 11.344 1.00 12.41 C ATOM 989 C SER A 60 6.208 4.645 10.110 1.00 24.23 C ATOM 990 O SER A 60 6.861 4.645 9.053 1.00 71.33 O ATOM 991 CB SER A 60 7.257 4.464 12.400 1.00 71.12 C ATOM 992 OG SER A 60 8.305 3.662 11.866 1.00 71.43 O ATOM 0 H SER A 60 5.393 6.018 12.912 1.00 43.20 H new ATOM 0 HA SER A 60 7.464 6.138 11.020 1.00 12.41 H new ATOM 0 HB2 SER A 60 7.630 5.027 13.255 1.00 71.12 H new ATOM 0 HB3 SER A 60 6.458 3.820 12.767 1.00 71.12 H new ATOM 0 HG SER A 60 8.641 3.057 12.560 1.00 71.43 H new ATOM 998 N VAL A 61 5.048 3.980 10.260 1.00 71.22 N ATOM 999 CA VAL A 61 4.431 3.184 9.181 1.00 41.30 C ATOM 1000 C VAL A 61 3.899 4.115 8.058 1.00 14.42 C ATOM 1001 O VAL A 61 4.056 3.814 6.878 1.00 12.12 O ATOM 1002 CB VAL A 61 3.268 2.275 9.724 1.00 21.41 C ATOM 1003 CG1 VAL A 61 2.717 1.322 8.632 1.00 32.24 C ATOM 1004 CG2 VAL A 61 3.709 1.489 10.978 1.00 24.54 C ATOM 0 H VAL A 61 4.513 3.978 11.129 1.00 71.22 H new ATOM 0 HA VAL A 61 5.202 2.532 8.771 1.00 41.30 H new ATOM 0 HB VAL A 61 2.453 2.939 10.013 1.00 21.41 H new ATOM 0 HG11 VAL A 61 1.916 0.713 9.051 1.00 32.24 H new ATOM 0 HG12 VAL A 61 2.329 1.909 7.799 1.00 32.24 H new ATOM 0 HG13 VAL A 61 3.518 0.673 8.277 1.00 32.24 H new ATOM 0 HG21 VAL A 61 2.883 0.870 11.329 1.00 24.54 H new ATOM 0 HG22 VAL A 61 4.558 0.853 10.729 1.00 24.54 H new ATOM 0 HG23 VAL A 61 3.997 2.188 11.763 1.00 24.54 H new ATOM 1014 N ALA A 62 3.305 5.272 8.449 1.00 52.51 N ATOM 1015 CA ALA A 62 2.770 6.280 7.488 1.00 21.32 C ATOM 1016 C ALA A 62 3.837 6.774 6.494 1.00 72.32 C ATOM 1017 O ALA A 62 3.507 7.070 5.353 1.00 4.44 O ATOM 1018 CB ALA A 62 2.152 7.481 8.219 1.00 11.25 C ATOM 0 H ALA A 62 3.183 5.533 9.427 1.00 52.51 H new ATOM 0 HA ALA A 62 1.993 5.769 6.920 1.00 21.32 H new ATOM 0 HB1 ALA A 62 1.772 8.195 7.489 1.00 11.25 H new ATOM 0 HB2 ALA A 62 1.333 7.140 8.852 1.00 11.25 H new ATOM 0 HB3 ALA A 62 2.911 7.962 8.836 1.00 11.25 H new ATOM 1024 N LYS A 63 5.101 6.860 6.955 1.00 33.51 N ATOM 1025 CA LYS A 63 6.250 7.235 6.097 1.00 5.23 C ATOM 1026 C LYS A 63 6.559 6.153 5.033 1.00 22.14 C ATOM 1027 O LYS A 63 6.896 6.484 3.898 1.00 54.43 O ATOM 1028 CB LYS A 63 7.510 7.525 6.952 1.00 14.30 C ATOM 1029 CG LYS A 63 7.350 8.722 7.921 1.00 63.11 C ATOM 1030 CD LYS A 63 8.678 9.154 8.586 1.00 34.31 C ATOM 1031 CE LYS A 63 9.742 9.605 7.561 1.00 71.52 C ATOM 1032 NZ LYS A 63 9.245 10.684 6.661 1.00 15.44 N ATOM 0 H LYS A 63 5.356 6.674 7.925 1.00 33.51 H new ATOM 0 HA LYS A 63 5.967 8.146 5.569 1.00 5.23 H new ATOM 0 HB2 LYS A 63 7.758 6.634 7.529 1.00 14.30 H new ATOM 0 HB3 LYS A 63 8.351 7.719 6.287 1.00 14.30 H new ATOM 0 HG2 LYS A 63 6.933 9.569 7.376 1.00 63.11 H new ATOM 0 HG3 LYS A 63 6.632 8.458 8.698 1.00 63.11 H new ATOM 0 HD2 LYS A 63 8.482 9.970 9.282 1.00 34.31 H new ATOM 0 HD3 LYS A 63 9.073 8.324 9.171 1.00 34.31 H new ATOM 0 HE2 LYS A 63 10.627 9.957 8.091 1.00 71.52 H new ATOM 0 HE3 LYS A 63 10.050 8.749 6.961 1.00 71.52 H new ATOM 0 HZ1 LYS A 63 10.020 11.010 6.049 1.00 15.44 H new ATOM 0 HZ2 LYS A 63 8.471 10.316 6.072 1.00 15.44 H new ATOM 0 HZ3 LYS A 63 8.897 11.480 7.233 1.00 15.44 H new ATOM 1046 N VAL A 64 6.424 4.867 5.412 1.00 73.25 N ATOM 1047 CA VAL A 64 6.598 3.719 4.478 1.00 10.42 C ATOM 1048 C VAL A 64 5.534 3.763 3.347 1.00 31.34 C ATOM 1049 O VAL A 64 5.844 3.554 2.178 1.00 33.10 O ATOM 1050 CB VAL A 64 6.506 2.338 5.233 1.00 23.33 C ATOM 1051 CG1 VAL A 64 6.699 1.131 4.269 1.00 15.32 C ATOM 1052 CG2 VAL A 64 7.512 2.286 6.412 1.00 63.13 C ATOM 0 H VAL A 64 6.193 4.588 6.365 1.00 73.25 H new ATOM 0 HA VAL A 64 7.593 3.808 4.041 1.00 10.42 H new ATOM 0 HB VAL A 64 5.499 2.257 5.642 1.00 23.33 H new ATOM 0 HG11 VAL A 64 6.628 0.201 4.832 1.00 15.32 H new ATOM 0 HG12 VAL A 64 5.925 1.151 3.502 1.00 15.32 H new ATOM 0 HG13 VAL A 64 7.679 1.195 3.797 1.00 15.32 H new ATOM 0 HG21 VAL A 64 7.430 1.324 6.918 1.00 63.13 H new ATOM 0 HG22 VAL A 64 8.526 2.411 6.031 1.00 63.13 H new ATOM 0 HG23 VAL A 64 7.288 3.087 7.117 1.00 63.13 H new ATOM 1062 N LEU A 65 4.282 4.064 3.724 1.00 31.13 N ATOM 1063 CA LEU A 65 3.152 4.215 2.771 1.00 25.44 C ATOM 1064 C LEU A 65 3.270 5.549 1.986 1.00 23.43 C ATOM 1065 O LEU A 65 2.820 5.651 0.843 1.00 45.12 O ATOM 1066 CB LEU A 65 1.777 4.106 3.505 1.00 73.52 C ATOM 1067 CG LEU A 65 1.338 2.672 3.980 1.00 4.15 C ATOM 1068 CD1 LEU A 65 1.167 1.698 2.793 1.00 23.12 C ATOM 1069 CD2 LEU A 65 2.309 2.085 5.016 1.00 3.21 C ATOM 0 H LEU A 65 4.016 4.211 4.698 1.00 31.13 H new ATOM 0 HA LEU A 65 3.204 3.398 2.052 1.00 25.44 H new ATOM 0 HB2 LEU A 65 1.805 4.759 4.377 1.00 73.52 H new ATOM 0 HB3 LEU A 65 1.005 4.495 2.840 1.00 73.52 H new ATOM 0 HG LEU A 65 0.367 2.794 4.460 1.00 4.15 H new ATOM 0 HD11 LEU A 65 0.863 0.720 3.166 1.00 23.12 H new ATOM 0 HD12 LEU A 65 0.404 2.081 2.115 1.00 23.12 H new ATOM 0 HD13 LEU A 65 2.113 1.605 2.259 1.00 23.12 H new ATOM 0 HD21 LEU A 65 1.966 1.094 5.315 1.00 3.21 H new ATOM 0 HD22 LEU A 65 3.305 2.008 4.579 1.00 3.21 H new ATOM 0 HD23 LEU A 65 2.346 2.736 5.890 1.00 3.21 H new ATOM 1081 N HIS A 66 3.914 6.552 2.612 1.00 65.45 N ATOM 1082 CA HIS A 66 4.165 7.878 2.008 1.00 40.12 C ATOM 1083 C HIS A 66 5.197 7.786 0.857 1.00 11.44 C ATOM 1084 O HIS A 66 5.135 8.568 -0.103 1.00 70.53 O ATOM 1085 CB HIS A 66 4.643 8.865 3.098 1.00 31.22 C ATOM 1086 CG HIS A 66 4.724 10.302 2.671 1.00 1.01 C ATOM 1087 ND1 HIS A 66 3.783 11.274 2.668 1.00 0.43 N flip ATOM 1088 CD2 HIS A 66 5.874 10.891 2.201 1.00 34.45 C flip ATOM 1089 CE1 HIS A 66 4.381 12.412 2.203 1.00 0.54 C flip ATOM 1090 NE2 HIS A 66 5.642 12.159 1.934 1.00 0.12 N flip ATOM 0 H HIS A 66 4.279 6.466 3.561 1.00 65.45 H new ATOM 0 HA HIS A 66 3.233 8.246 1.580 1.00 40.12 H new ATOM 0 HB2 HIS A 66 3.968 8.794 3.951 1.00 31.22 H new ATOM 0 HB3 HIS A 66 5.627 8.550 3.444 1.00 31.22 H new ATOM 0 HD2 HIS A 66 6.822 10.390 2.071 1.00 34.45 H new ATOM 0 HE1 HIS A 66 3.894 13.368 2.077 1.00 0.54 H new ATOM 0 HE2 HIS A 66 6.324 12.830 1.579 1.00 0.12 H new ATOM 1099 N THR A 67 6.139 6.811 0.949 1.00 23.21 N ATOM 1100 CA THR A 67 7.140 6.589 -0.136 1.00 52.51 C ATOM 1101 C THR A 67 6.463 6.008 -1.393 1.00 15.44 C ATOM 1102 O THR A 67 6.947 6.202 -2.511 1.00 73.42 O ATOM 1103 CB THR A 67 8.337 5.647 0.269 1.00 62.13 C ATOM 1104 OG1 THR A 67 7.911 4.281 0.425 1.00 63.05 O ATOM 1105 CG2 THR A 67 9.027 6.111 1.558 1.00 65.55 C ATOM 0 H THR A 67 6.229 6.177 1.743 1.00 23.21 H new ATOM 0 HA THR A 67 7.558 7.575 -0.337 1.00 52.51 H new ATOM 0 HB THR A 67 9.054 5.705 -0.550 1.00 62.13 H new ATOM 0 HG1 THR A 67 7.183 4.238 1.080 1.00 63.05 H new ATOM 0 HG21 THR A 67 9.845 5.432 1.798 1.00 65.55 H new ATOM 0 HG22 THR A 67 9.421 7.118 1.418 1.00 65.55 H new ATOM 0 HG23 THR A 67 8.306 6.114 2.376 1.00 65.55 H new ATOM 1113 N ILE A 68 5.321 5.305 -1.188 1.00 30.42 N ATOM 1114 CA ILE A 68 4.576 4.643 -2.281 1.00 13.05 C ATOM 1115 C ILE A 68 3.787 5.702 -3.060 1.00 41.31 C ATOM 1116 O ILE A 68 3.592 5.589 -4.260 1.00 2.23 O ATOM 1117 CB ILE A 68 3.590 3.520 -1.760 1.00 43.13 C ATOM 1118 CG1 ILE A 68 4.214 2.718 -0.575 1.00 42.41 C ATOM 1119 CG2 ILE A 68 3.159 2.562 -2.906 1.00 41.12 C ATOM 1120 CD1 ILE A 68 5.592 2.160 -0.841 1.00 75.20 C ATOM 0 H ILE A 68 4.896 5.183 -0.269 1.00 30.42 H new ATOM 0 HA ILE A 68 5.305 4.150 -2.925 1.00 13.05 H new ATOM 0 HB ILE A 68 2.696 4.024 -1.392 1.00 43.13 H new ATOM 0 HG12 ILE A 68 4.264 3.368 0.298 1.00 42.41 H new ATOM 0 HG13 ILE A 68 3.547 1.894 -0.322 1.00 42.41 H new ATOM 0 HG21 ILE A 68 2.482 1.804 -2.511 1.00 41.12 H new ATOM 0 HG22 ILE A 68 2.652 3.131 -3.685 1.00 41.12 H new ATOM 0 HG23 ILE A 68 4.040 2.078 -3.327 1.00 41.12 H new ATOM 0 HD11 ILE A 68 5.942 1.620 0.039 1.00 75.20 H new ATOM 0 HD12 ILE A 68 5.551 1.480 -1.692 1.00 75.20 H new ATOM 0 HD13 ILE A 68 6.279 2.977 -1.062 1.00 75.20 H new ATOM 1132 N MET A 69 3.339 6.738 -2.328 1.00 45.35 N ATOM 1133 CA MET A 69 2.621 7.883 -2.906 1.00 12.23 C ATOM 1134 C MET A 69 3.512 8.615 -3.928 1.00 34.22 C ATOM 1135 O MET A 69 3.080 8.893 -5.036 1.00 52.33 O ATOM 1136 CB MET A 69 2.150 8.864 -1.799 1.00 30.23 C ATOM 1137 CG MET A 69 1.458 8.189 -0.606 1.00 11.54 C ATOM 1138 SD MET A 69 0.465 9.339 0.374 1.00 31.12 S ATOM 1139 CE MET A 69 -0.760 9.889 -0.817 1.00 12.31 C ATOM 0 H MET A 69 3.466 6.803 -1.318 1.00 45.35 H new ATOM 0 HA MET A 69 1.737 7.503 -3.419 1.00 12.23 H new ATOM 0 HB2 MET A 69 3.012 9.423 -1.435 1.00 30.23 H new ATOM 0 HB3 MET A 69 1.464 9.588 -2.240 1.00 30.23 H new ATOM 0 HG2 MET A 69 0.819 7.385 -0.971 1.00 11.54 H new ATOM 0 HG3 MET A 69 2.212 7.732 0.034 1.00 11.54 H new ATOM 0 HE1 MET A 69 -1.669 10.185 -0.294 1.00 12.31 H new ATOM 0 HE2 MET A 69 -0.369 10.740 -1.375 1.00 12.31 H new ATOM 0 HE3 MET A 69 -0.987 9.076 -1.507 1.00 12.31 H new ATOM 1149 N ASN A 70 4.777 8.881 -3.546 1.00 35.32 N ATOM 1150 CA ASN A 70 5.785 9.477 -4.455 1.00 65.41 C ATOM 1151 C ASN A 70 6.080 8.540 -5.652 1.00 53.14 C ATOM 1152 O ASN A 70 6.078 8.975 -6.805 1.00 43.52 O ATOM 1153 CB ASN A 70 7.103 9.769 -3.691 1.00 21.10 C ATOM 1154 CG ASN A 70 8.163 10.516 -4.529 1.00 34.33 C ATOM 1155 OD1 ASN A 70 9.356 10.317 -4.355 1.00 61.40 O ATOM 1156 ND2 ASN A 70 7.746 11.405 -5.421 1.00 63.24 N ATOM 0 H ASN A 70 5.130 8.692 -2.608 1.00 35.32 H new ATOM 0 HA ASN A 70 5.374 10.412 -4.835 1.00 65.41 H new ATOM 0 HB2 ASN A 70 6.874 10.360 -2.804 1.00 21.10 H new ATOM 0 HB3 ASN A 70 7.527 8.826 -3.345 1.00 21.10 H new ATOM 0 HD21 ASN A 70 8.424 11.932 -5.971 1.00 63.24 H new ATOM 0 HD22 ASN A 70 6.747 11.562 -5.557 1.00 63.24 H new ATOM 1163 N LEU A 71 6.309 7.254 -5.334 1.00 3.12 N ATOM 1164 CA LEU A 71 6.706 6.205 -6.303 1.00 21.14 C ATOM 1165 C LEU A 71 5.662 6.084 -7.456 1.00 62.44 C ATOM 1166 O LEU A 71 5.989 6.250 -8.641 1.00 71.11 O ATOM 1167 CB LEU A 71 6.873 4.855 -5.510 1.00 42.20 C ATOM 1168 CG LEU A 71 7.748 3.719 -6.145 1.00 15.41 C ATOM 1169 CD1 LEU A 71 8.019 2.582 -5.125 1.00 15.14 C ATOM 1170 CD2 LEU A 71 7.115 3.135 -7.425 1.00 45.11 C ATOM 0 H LEU A 71 6.223 6.903 -4.380 1.00 3.12 H new ATOM 0 HA LEU A 71 7.652 6.464 -6.779 1.00 21.14 H new ATOM 0 HB2 LEU A 71 7.296 5.094 -4.534 1.00 42.20 H new ATOM 0 HB3 LEU A 71 5.877 4.448 -5.335 1.00 42.20 H new ATOM 0 HG LEU A 71 8.695 4.181 -6.423 1.00 15.41 H new ATOM 0 HD11 LEU A 71 8.628 1.809 -5.595 1.00 15.14 H new ATOM 0 HD12 LEU A 71 8.548 2.986 -4.262 1.00 15.14 H new ATOM 0 HD13 LEU A 71 7.072 2.151 -4.801 1.00 15.14 H new ATOM 0 HD21 LEU A 71 7.760 2.353 -7.825 1.00 45.11 H new ATOM 0 HD22 LEU A 71 6.138 2.714 -7.188 1.00 45.11 H new ATOM 0 HD23 LEU A 71 7.000 3.925 -8.167 1.00 45.11 H new ATOM 1182 N VAL A 72 4.409 5.827 -7.065 1.00 73.10 N ATOM 1183 CA VAL A 72 3.284 5.590 -7.985 1.00 13.51 C ATOM 1184 C VAL A 72 2.846 6.880 -8.728 1.00 43.24 C ATOM 1185 O VAL A 72 2.539 6.833 -9.921 1.00 12.22 O ATOM 1186 CB VAL A 72 2.064 4.968 -7.209 1.00 24.34 C ATOM 1187 CG1 VAL A 72 0.859 4.743 -8.143 1.00 34.31 C ATOM 1188 CG2 VAL A 72 2.478 3.645 -6.507 1.00 15.30 C ATOM 0 H VAL A 72 4.140 5.776 -6.082 1.00 73.10 H new ATOM 0 HA VAL A 72 3.631 4.884 -8.740 1.00 13.51 H new ATOM 0 HB VAL A 72 1.757 5.680 -6.443 1.00 24.34 H new ATOM 0 HG11 VAL A 72 0.034 4.313 -7.575 1.00 34.31 H new ATOM 0 HG12 VAL A 72 0.547 5.696 -8.570 1.00 34.31 H new ATOM 0 HG13 VAL A 72 1.142 4.061 -8.945 1.00 34.31 H new ATOM 0 HG21 VAL A 72 1.621 3.231 -5.976 1.00 15.30 H new ATOM 0 HG22 VAL A 72 2.823 2.929 -7.253 1.00 15.30 H new ATOM 0 HG23 VAL A 72 3.281 3.845 -5.798 1.00 15.30 H new ATOM 1198 N ASP A 73 2.830 8.029 -8.025 1.00 21.45 N ATOM 1199 CA ASP A 73 2.458 9.337 -8.631 1.00 25.41 C ATOM 1200 C ASP A 73 3.400 9.715 -9.807 1.00 35.31 C ATOM 1201 O ASP A 73 2.966 10.316 -10.796 1.00 12.04 O ATOM 1202 CB ASP A 73 2.465 10.441 -7.549 1.00 44.43 C ATOM 1203 CG ASP A 73 2.058 11.820 -8.073 1.00 54.34 C ATOM 1204 OD1 ASP A 73 0.864 12.022 -8.366 1.00 63.13 O ATOM 1205 OD2 ASP A 73 2.924 12.703 -8.212 1.00 31.53 O ATOM 0 H ASP A 73 3.070 8.085 -7.035 1.00 21.45 H new ATOM 0 HA ASP A 73 1.452 9.245 -9.040 1.00 25.41 H new ATOM 0 HB2 ASP A 73 1.788 10.153 -6.745 1.00 44.43 H new ATOM 0 HB3 ASP A 73 3.463 10.507 -7.116 1.00 44.43 H new ATOM 1210 N LYS A 74 4.680 9.336 -9.687 1.00 73.12 N ATOM 1211 CA LYS A 74 5.688 9.538 -10.748 1.00 12.41 C ATOM 1212 C LYS A 74 5.457 8.594 -11.956 1.00 1.02 C ATOM 1213 O LYS A 74 5.786 8.938 -13.094 1.00 45.15 O ATOM 1214 CB LYS A 74 7.105 9.362 -10.172 1.00 4.33 C ATOM 1215 CG LYS A 74 7.533 10.478 -9.187 1.00 31.13 C ATOM 1216 CD LYS A 74 9.016 10.364 -8.779 1.00 53.44 C ATOM 1217 CE LYS A 74 9.350 9.022 -8.098 1.00 65.21 C ATOM 1218 NZ LYS A 74 10.796 8.906 -7.787 1.00 41.23 N ATOM 0 H LYS A 74 5.050 8.880 -8.853 1.00 73.12 H new ATOM 0 HA LYS A 74 5.582 10.557 -11.119 1.00 12.41 H new ATOM 0 HB2 LYS A 74 7.161 8.401 -9.661 1.00 4.33 H new ATOM 0 HB3 LYS A 74 7.818 9.327 -10.996 1.00 4.33 H new ATOM 0 HG2 LYS A 74 7.359 11.451 -9.647 1.00 31.13 H new ATOM 0 HG3 LYS A 74 6.909 10.431 -8.295 1.00 31.13 H new ATOM 0 HD2 LYS A 74 9.641 10.482 -9.664 1.00 53.44 H new ATOM 0 HD3 LYS A 74 9.265 11.181 -8.102 1.00 53.44 H new ATOM 0 HE2 LYS A 74 8.772 8.927 -7.179 1.00 65.21 H new ATOM 0 HE3 LYS A 74 9.051 8.200 -8.749 1.00 65.21 H new ATOM 0 HZ1 LYS A 74 10.980 7.990 -7.330 1.00 41.23 H new ATOM 0 HZ2 LYS A 74 11.347 8.971 -8.667 1.00 41.23 H new ATOM 0 HZ3 LYS A 74 11.076 9.675 -7.146 1.00 41.23 H new ATOM 1232 N MET A 75 4.899 7.402 -11.699 1.00 72.14 N ATOM 1233 CA MET A 75 4.505 6.460 -12.774 1.00 12.40 C ATOM 1234 C MET A 75 3.439 7.091 -13.718 1.00 41.11 C ATOM 1235 O MET A 75 3.488 6.892 -14.937 1.00 2.25 O ATOM 1236 CB MET A 75 3.954 5.150 -12.165 1.00 5.21 C ATOM 1237 CG MET A 75 4.973 4.305 -11.395 1.00 60.22 C ATOM 1238 SD MET A 75 4.186 2.856 -10.662 1.00 70.24 S ATOM 1239 CE MET A 75 5.574 1.787 -10.312 1.00 33.02 C ATOM 0 H MET A 75 4.707 7.061 -10.757 1.00 72.14 H new ATOM 0 HA MET A 75 5.395 6.238 -13.363 1.00 12.40 H new ATOM 0 HB2 MET A 75 3.132 5.399 -11.494 1.00 5.21 H new ATOM 0 HB3 MET A 75 3.537 4.543 -12.968 1.00 5.21 H new ATOM 0 HG2 MET A 75 5.771 3.989 -12.067 1.00 60.22 H new ATOM 0 HG3 MET A 75 5.434 4.908 -10.613 1.00 60.22 H new ATOM 0 HE1 MET A 75 5.340 1.156 -9.454 1.00 33.02 H new ATOM 0 HE2 MET A 75 5.778 1.159 -11.180 1.00 33.02 H new ATOM 0 HE3 MET A 75 6.452 2.393 -10.088 1.00 33.02 H new ATOM 1249 N LEU A 76 2.503 7.873 -13.119 1.00 3.53 N ATOM 1250 CA LEU A 76 1.404 8.590 -13.841 1.00 75.32 C ATOM 1251 C LEU A 76 1.910 9.541 -14.970 1.00 41.10 C ATOM 1252 O LEU A 76 1.141 9.908 -15.860 1.00 22.21 O ATOM 1253 CB LEU A 76 0.514 9.392 -12.820 1.00 30.14 C ATOM 1254 CG LEU A 76 -0.693 8.624 -12.160 1.00 20.50 C ATOM 1255 CD1 LEU A 76 -1.709 8.160 -13.226 1.00 42.44 C ATOM 1256 CD2 LEU A 76 -0.221 7.438 -11.286 1.00 71.22 C ATOM 0 H LEU A 76 2.485 8.029 -12.111 1.00 3.53 H new ATOM 0 HA LEU A 76 0.810 7.819 -14.332 1.00 75.32 H new ATOM 0 HB2 LEU A 76 1.160 9.756 -12.021 1.00 30.14 H new ATOM 0 HB3 LEU A 76 0.117 10.268 -13.333 1.00 30.14 H new ATOM 0 HG LEU A 76 -1.196 9.329 -11.498 1.00 20.50 H new ATOM 0 HD11 LEU A 76 -2.531 7.633 -12.741 1.00 42.44 H new ATOM 0 HD12 LEU A 76 -2.099 9.027 -13.759 1.00 42.44 H new ATOM 0 HD13 LEU A 76 -1.216 7.492 -13.932 1.00 42.44 H new ATOM 0 HD21 LEU A 76 -1.087 6.939 -10.852 1.00 71.22 H new ATOM 0 HD22 LEU A 76 0.335 6.731 -11.902 1.00 71.22 H new ATOM 0 HD23 LEU A 76 0.423 7.808 -10.488 1.00 71.22 H new ATOM 1268 N ASN A 77 3.193 9.937 -14.924 1.00 2.41 N ATOM 1269 CA ASN A 77 3.806 10.849 -15.927 1.00 53.11 C ATOM 1270 C ASN A 77 4.876 10.127 -16.779 1.00 51.04 C ATOM 1271 O ASN A 77 5.629 9.276 -16.283 1.00 40.11 O ATOM 1272 CB ASN A 77 4.384 12.128 -15.240 1.00 13.33 C ATOM 1273 CG ASN A 77 4.920 11.880 -13.834 1.00 5.10 C ATOM 1274 OD1 ASN A 77 6.097 11.641 -13.627 1.00 34.41 O ATOM 1275 ND2 ASN A 77 4.048 11.908 -12.853 1.00 15.42 N ATOM 0 H ASN A 77 3.841 9.639 -14.195 1.00 2.41 H new ATOM 0 HA ASN A 77 3.018 11.166 -16.610 1.00 53.11 H new ATOM 0 HB2 ASN A 77 5.186 12.531 -15.859 1.00 13.33 H new ATOM 0 HB3 ASN A 77 3.604 12.888 -15.193 1.00 13.33 H new ATOM 0 HD21 ASN A 77 4.351 11.728 -11.896 1.00 15.42 H new ATOM 0 HD22 ASN A 77 3.067 12.110 -13.048 1.00 15.42 H new ATOM 1282 N SER A 78 4.932 10.524 -18.069 1.00 31.22 N ATOM 1283 CA SER A 78 5.859 9.966 -19.087 1.00 44.32 C ATOM 1284 C SER A 78 7.352 10.247 -18.776 1.00 62.53 C ATOM 1285 O SER A 78 8.239 9.622 -19.370 1.00 54.22 O ATOM 1286 CB SER A 78 5.504 10.530 -20.486 1.00 24.52 C ATOM 1287 OG SER A 78 4.188 10.160 -20.873 1.00 21.22 O ATOM 0 H SER A 78 4.325 11.254 -18.442 1.00 31.22 H new ATOM 0 HA SER A 78 5.730 8.884 -19.067 1.00 44.32 H new ATOM 0 HB2 SER A 78 5.590 11.617 -20.475 1.00 24.52 H new ATOM 0 HB3 SER A 78 6.219 10.161 -21.221 1.00 24.52 H new ATOM 0 HG SER A 78 3.991 10.531 -21.758 1.00 21.22 H new ATOM 1293 N GLU A 79 7.618 11.165 -17.828 1.00 62.14 N ATOM 1294 CA GLU A 79 8.990 11.589 -17.476 1.00 74.24 C ATOM 1295 C GLU A 79 9.711 10.546 -16.587 1.00 30.42 C ATOM 1296 O GLU A 79 10.935 10.586 -16.452 1.00 52.24 O ATOM 1297 CB GLU A 79 8.952 12.979 -16.778 1.00 50.05 C ATOM 1298 CG GLU A 79 8.210 13.016 -15.436 1.00 73.42 C ATOM 1299 CD GLU A 79 8.188 14.402 -14.770 1.00 30.52 C ATOM 1300 OE1 GLU A 79 7.433 15.285 -15.236 1.00 63.32 O ATOM 1301 OE2 GLU A 79 8.928 14.619 -13.784 1.00 2.30 O ATOM 0 H GLU A 79 6.892 11.633 -17.285 1.00 62.14 H new ATOM 0 HA GLU A 79 9.563 11.668 -18.400 1.00 74.24 H new ATOM 0 HB2 GLU A 79 9.976 13.315 -16.618 1.00 50.05 H new ATOM 0 HB3 GLU A 79 8.483 13.694 -17.454 1.00 50.05 H new ATOM 0 HG2 GLU A 79 7.184 12.683 -15.591 1.00 73.42 H new ATOM 0 HG3 GLU A 79 8.677 12.305 -14.755 1.00 73.42 H new ATOM 1308 N ILE A 80 8.934 9.624 -15.978 1.00 61.10 N ATOM 1309 CA ILE A 80 9.464 8.571 -15.069 1.00 74.54 C ATOM 1310 C ILE A 80 9.015 7.178 -15.562 1.00 54.54 C ATOM 1311 O ILE A 80 9.843 6.362 -15.989 1.00 2.23 O ATOM 1312 CB ILE A 80 8.949 8.778 -13.594 1.00 34.03 C ATOM 1313 CG1 ILE A 80 9.154 10.257 -13.142 1.00 50.41 C ATOM 1314 CG2 ILE A 80 9.603 7.770 -12.602 1.00 10.05 C ATOM 1315 CD1 ILE A 80 10.577 10.656 -12.786 1.00 11.21 C ATOM 0 H ILE A 80 7.922 9.584 -16.099 1.00 61.10 H new ATOM 0 HA ILE A 80 10.552 8.642 -15.076 1.00 74.54 H new ATOM 0 HB ILE A 80 7.879 8.571 -13.582 1.00 34.03 H new ATOM 0 HG12 ILE A 80 8.804 10.911 -13.940 1.00 50.41 H new ATOM 0 HG13 ILE A 80 8.519 10.442 -12.276 1.00 50.41 H new ATOM 0 HG21 ILE A 80 9.220 7.948 -11.597 1.00 10.05 H new ATOM 0 HG22 ILE A 80 9.363 6.752 -12.907 1.00 10.05 H new ATOM 0 HG23 ILE A 80 10.685 7.904 -12.607 1.00 10.05 H new ATOM 0 HD11 ILE A 80 10.597 11.704 -12.487 1.00 11.21 H new ATOM 0 HD12 ILE A 80 10.933 10.037 -11.963 1.00 11.21 H new ATOM 0 HD13 ILE A 80 11.222 10.513 -13.653 1.00 11.21 H new ATOM 1327 N LYS A 81 7.678 6.946 -15.503 1.00 52.41 N ATOM 1328 CA LYS A 81 7.025 5.665 -15.875 1.00 73.54 C ATOM 1329 C LYS A 81 7.534 4.465 -15.017 1.00 51.44 C ATOM 1330 O LYS A 81 8.071 4.656 -13.916 1.00 1.33 O ATOM 1331 CB LYS A 81 7.177 5.398 -17.404 1.00 70.52 C ATOM 1332 CG LYS A 81 6.710 6.561 -18.306 1.00 14.33 C ATOM 1333 CD LYS A 81 6.671 6.186 -19.803 1.00 30.21 C ATOM 1334 CE LYS A 81 5.557 5.178 -20.116 1.00 53.13 C ATOM 1335 NZ LYS A 81 5.656 4.637 -21.491 1.00 61.43 N ATOM 0 H LYS A 81 7.014 7.655 -15.191 1.00 52.41 H new ATOM 0 HA LYS A 81 5.962 5.761 -15.653 1.00 73.54 H new ATOM 0 HB2 LYS A 81 8.224 5.185 -17.621 1.00 70.52 H new ATOM 0 HB3 LYS A 81 6.609 4.504 -17.662 1.00 70.52 H new ATOM 0 HG2 LYS A 81 5.717 6.881 -17.991 1.00 14.33 H new ATOM 0 HG3 LYS A 81 7.378 7.411 -18.168 1.00 14.33 H new ATOM 0 HD2 LYS A 81 6.522 7.087 -20.398 1.00 30.21 H new ATOM 0 HD3 LYS A 81 7.633 5.765 -20.096 1.00 30.21 H new ATOM 0 HE2 LYS A 81 5.602 4.357 -19.401 1.00 53.13 H new ATOM 0 HE3 LYS A 81 4.588 5.660 -19.987 1.00 53.13 H new ATOM 0 HZ1 LYS A 81 4.846 4.967 -22.053 1.00 61.43 H new ATOM 0 HZ2 LYS A 81 6.539 4.966 -21.931 1.00 61.43 H new ATOM 0 HZ3 LYS A 81 5.653 3.598 -21.456 1.00 61.43 H new ATOM 1349 N ILE A 82 7.318 3.227 -15.513 1.00 14.23 N ATOM 1350 CA ILE A 82 7.627 1.984 -14.772 1.00 73.53 C ATOM 1351 C ILE A 82 8.916 1.347 -15.329 1.00 52.24 C ATOM 1352 O ILE A 82 8.998 1.017 -16.517 1.00 43.45 O ATOM 1353 CB ILE A 82 6.419 0.950 -14.838 1.00 60.45 C ATOM 1354 CG1 ILE A 82 5.185 1.450 -14.028 1.00 53.11 C ATOM 1355 CG2 ILE A 82 6.813 -0.462 -14.362 1.00 41.33 C ATOM 1356 CD1 ILE A 82 4.422 2.555 -14.697 1.00 23.04 C ATOM 0 H ILE A 82 6.924 3.061 -16.439 1.00 14.23 H new ATOM 0 HA ILE A 82 7.780 2.242 -13.724 1.00 73.53 H new ATOM 0 HB ILE A 82 6.149 0.884 -15.892 1.00 60.45 H new ATOM 0 HG12 ILE A 82 4.512 0.610 -13.856 1.00 53.11 H new ATOM 0 HG13 ILE A 82 5.521 1.795 -13.050 1.00 53.11 H new ATOM 0 HG21 ILE A 82 5.949 -1.123 -14.430 1.00 41.33 H new ATOM 0 HG22 ILE A 82 7.615 -0.848 -14.991 1.00 41.33 H new ATOM 0 HG23 ILE A 82 7.154 -0.415 -13.328 1.00 41.33 H new ATOM 0 HD11 ILE A 82 3.579 2.846 -14.070 1.00 23.04 H new ATOM 0 HD12 ILE A 82 5.078 3.413 -14.845 1.00 23.04 H new ATOM 0 HD13 ILE A 82 4.053 2.210 -15.663 1.00 23.04 H new ATOM 1368 N THR A 83 9.907 1.140 -14.443 1.00 3.25 N ATOM 1369 CA THR A 83 11.225 0.567 -14.811 1.00 63.11 C ATOM 1370 C THR A 83 11.198 -1.002 -14.790 1.00 11.42 C ATOM 1371 O THR A 83 12.236 -1.646 -14.645 1.00 24.01 O ATOM 1372 CB THR A 83 12.342 1.130 -13.840 1.00 65.20 C ATOM 1373 OG1 THR A 83 12.123 2.535 -13.617 1.00 11.12 O ATOM 1374 CG2 THR A 83 13.775 0.944 -14.388 1.00 5.20 C ATOM 0 H THR A 83 9.822 1.363 -13.451 1.00 3.25 H new ATOM 0 HA THR A 83 11.459 0.868 -15.832 1.00 63.11 H new ATOM 0 HB THR A 83 12.263 0.560 -12.914 1.00 65.20 H new ATOM 0 HG1 THR A 83 12.814 2.882 -13.015 1.00 11.12 H new ATOM 0 HG21 THR A 83 14.493 1.351 -13.675 1.00 5.20 H new ATOM 0 HG22 THR A 83 13.973 -0.118 -14.537 1.00 5.20 H new ATOM 0 HG23 THR A 83 13.872 1.468 -15.339 1.00 5.20 H new ATOM 1382 N SER A 84 9.986 -1.595 -14.990 1.00 51.22 N ATOM 1383 CA SER A 84 9.722 -3.068 -14.933 1.00 55.41 C ATOM 1384 C SER A 84 10.038 -3.671 -13.533 1.00 70.52 C ATOM 1385 O SER A 84 9.126 -4.016 -12.778 1.00 0.23 O ATOM 1386 CB SER A 84 10.470 -3.835 -16.061 1.00 20.20 C ATOM 1387 OG SER A 84 10.049 -3.405 -17.353 1.00 25.54 O ATOM 0 H SER A 84 9.147 -1.054 -15.200 1.00 51.22 H new ATOM 0 HA SER A 84 8.653 -3.196 -15.102 1.00 55.41 H new ATOM 0 HB2 SER A 84 11.544 -3.681 -15.957 1.00 20.20 H new ATOM 0 HB3 SER A 84 10.290 -4.905 -15.956 1.00 20.20 H new ATOM 0 HG SER A 84 10.539 -3.904 -18.040 1.00 25.54 H new ATOM 1393 N ASP A 85 11.335 -3.772 -13.198 1.00 32.41 N ATOM 1394 CA ASP A 85 11.822 -4.228 -11.875 1.00 13.34 C ATOM 1395 C ASP A 85 11.395 -3.280 -10.723 1.00 74.15 C ATOM 1396 O ASP A 85 11.446 -3.651 -9.548 1.00 40.54 O ATOM 1397 CB ASP A 85 13.357 -4.352 -11.911 1.00 64.23 C ATOM 1398 CG ASP A 85 13.847 -5.278 -13.031 1.00 23.22 C ATOM 1399 OD1 ASP A 85 13.905 -4.832 -14.198 1.00 74.44 O ATOM 1400 OD2 ASP A 85 14.163 -6.457 -12.756 1.00 1.50 O ATOM 0 H ASP A 85 12.089 -3.537 -13.844 1.00 32.41 H new ATOM 0 HA ASP A 85 11.368 -5.198 -11.674 1.00 13.34 H new ATOM 0 HB2 ASP A 85 13.795 -3.363 -12.045 1.00 64.23 H new ATOM 0 HB3 ASP A 85 13.710 -4.730 -10.951 1.00 64.23 H new ATOM 1405 N LEU A 86 11.018 -2.040 -11.080 1.00 43.22 N ATOM 1406 CA LEU A 86 10.462 -1.051 -10.130 1.00 30.33 C ATOM 1407 C LEU A 86 9.176 -1.573 -9.414 1.00 3.11 C ATOM 1408 O LEU A 86 8.892 -1.201 -8.274 1.00 3.51 O ATOM 1409 CB LEU A 86 10.151 0.280 -10.855 1.00 32.25 C ATOM 1410 CG LEU A 86 9.734 1.462 -9.924 1.00 12.30 C ATOM 1411 CD1 LEU A 86 10.915 1.944 -9.043 1.00 73.13 C ATOM 1412 CD2 LEU A 86 9.114 2.623 -10.738 1.00 23.23 C ATOM 0 H LEU A 86 11.089 -1.691 -12.036 1.00 43.22 H new ATOM 0 HA LEU A 86 11.222 -0.884 -9.366 1.00 30.33 H new ATOM 0 HB2 LEU A 86 11.031 0.580 -11.424 1.00 32.25 H new ATOM 0 HB3 LEU A 86 9.351 0.105 -11.574 1.00 32.25 H new ATOM 0 HG LEU A 86 8.966 1.090 -9.246 1.00 12.30 H new ATOM 0 HD11 LEU A 86 10.584 2.767 -8.410 1.00 73.13 H new ATOM 0 HD12 LEU A 86 11.262 1.121 -8.417 1.00 73.13 H new ATOM 0 HD13 LEU A 86 11.731 2.283 -9.682 1.00 73.13 H new ATOM 0 HD21 LEU A 86 8.833 3.431 -10.063 1.00 23.23 H new ATOM 0 HD22 LEU A 86 9.843 2.990 -11.461 1.00 23.23 H new ATOM 0 HD23 LEU A 86 8.229 2.266 -11.264 1.00 23.23 H new ATOM 1424 N ILE A 87 8.391 -2.410 -10.120 1.00 13.11 N ATOM 1425 CA ILE A 87 7.169 -3.050 -9.559 1.00 40.22 C ATOM 1426 C ILE A 87 7.520 -3.958 -8.338 1.00 34.42 C ATOM 1427 O ILE A 87 6.735 -4.079 -7.389 1.00 33.24 O ATOM 1428 CB ILE A 87 6.427 -3.903 -10.662 1.00 41.22 C ATOM 1429 CG1 ILE A 87 6.133 -3.039 -11.929 1.00 33.14 C ATOM 1430 CG2 ILE A 87 5.115 -4.534 -10.125 1.00 72.03 C ATOM 1431 CD1 ILE A 87 5.565 -3.813 -13.114 1.00 24.21 C ATOM 0 H ILE A 87 8.578 -2.665 -11.090 1.00 13.11 H new ATOM 0 HA ILE A 87 6.506 -2.253 -9.221 1.00 40.22 H new ATOM 0 HB ILE A 87 7.096 -4.718 -10.938 1.00 41.22 H new ATOM 0 HG12 ILE A 87 5.431 -2.250 -11.659 1.00 33.14 H new ATOM 0 HG13 ILE A 87 7.056 -2.551 -12.241 1.00 33.14 H new ATOM 0 HG21 ILE A 87 4.638 -5.111 -10.917 1.00 72.03 H new ATOM 0 HG22 ILE A 87 5.344 -5.190 -9.285 1.00 72.03 H new ATOM 0 HG23 ILE A 87 4.440 -3.744 -9.795 1.00 72.03 H new ATOM 0 HD11 ILE A 87 5.393 -3.130 -13.946 1.00 24.21 H new ATOM 0 HD12 ILE A 87 6.273 -4.584 -13.418 1.00 24.21 H new ATOM 0 HD13 ILE A 87 4.622 -4.279 -12.826 1.00 24.21 H new ATOM 1443 N ASP A 88 8.728 -4.572 -8.375 1.00 63.11 N ATOM 1444 CA ASP A 88 9.254 -5.408 -7.261 1.00 53.21 C ATOM 1445 C ASP A 88 9.532 -4.556 -6.005 1.00 63.41 C ATOM 1446 O ASP A 88 9.414 -5.048 -4.878 1.00 63.21 O ATOM 1447 CB ASP A 88 10.547 -6.144 -7.685 1.00 34.42 C ATOM 1448 CG ASP A 88 10.327 -7.083 -8.874 1.00 14.24 C ATOM 1449 OD1 ASP A 88 9.948 -8.251 -8.656 1.00 34.45 O ATOM 1450 OD2 ASP A 88 10.512 -6.654 -10.024 1.00 62.25 O ATOM 0 H ASP A 88 9.363 -4.504 -9.170 1.00 63.11 H new ATOM 0 HA ASP A 88 8.488 -6.145 -7.020 1.00 53.21 H new ATOM 0 HB2 ASP A 88 11.311 -5.410 -7.943 1.00 34.42 H new ATOM 0 HB3 ASP A 88 10.928 -6.717 -6.840 1.00 34.42 H new ATOM 1455 N LYS A 89 9.892 -3.275 -6.226 1.00 64.55 N ATOM 1456 CA LYS A 89 10.119 -2.302 -5.140 1.00 13.11 C ATOM 1457 C LYS A 89 8.799 -2.032 -4.376 1.00 44.23 C ATOM 1458 O LYS A 89 8.789 -1.933 -3.147 1.00 2.24 O ATOM 1459 CB LYS A 89 10.699 -0.992 -5.736 1.00 32.14 C ATOM 1460 CG LYS A 89 11.155 0.061 -4.703 1.00 32.12 C ATOM 1461 CD LYS A 89 11.906 1.237 -5.367 1.00 62.14 C ATOM 1462 CE LYS A 89 12.463 2.236 -4.345 1.00 33.41 C ATOM 1463 NZ LYS A 89 13.324 3.265 -4.985 1.00 61.33 N ATOM 0 H LYS A 89 10.033 -2.888 -7.159 1.00 64.55 H new ATOM 0 HA LYS A 89 10.837 -2.710 -4.428 1.00 13.11 H new ATOM 0 HB2 LYS A 89 11.549 -1.246 -6.370 1.00 32.14 H new ATOM 0 HB3 LYS A 89 9.945 -0.541 -6.380 1.00 32.14 H new ATOM 0 HG2 LYS A 89 10.286 0.442 -4.167 1.00 32.12 H new ATOM 0 HG3 LYS A 89 11.803 -0.412 -3.965 1.00 32.12 H new ATOM 0 HD2 LYS A 89 12.725 0.845 -5.970 1.00 62.14 H new ATOM 0 HD3 LYS A 89 11.230 1.757 -6.046 1.00 62.14 H new ATOM 0 HE2 LYS A 89 11.637 2.725 -3.828 1.00 33.41 H new ATOM 0 HE3 LYS A 89 13.039 1.700 -3.590 1.00 33.41 H new ATOM 0 HZ1 LYS A 89 13.680 3.920 -4.260 1.00 61.33 H new ATOM 0 HZ2 LYS A 89 14.127 2.802 -5.457 1.00 61.33 H new ATOM 0 HZ3 LYS A 89 12.769 3.794 -5.687 1.00 61.33 H new ATOM 1477 N VAL A 90 7.686 -1.954 -5.136 1.00 11.34 N ATOM 1478 CA VAL A 90 6.325 -1.761 -4.573 1.00 41.44 C ATOM 1479 C VAL A 90 5.878 -3.017 -3.771 1.00 60.14 C ATOM 1480 O VAL A 90 5.293 -2.896 -2.684 1.00 74.02 O ATOM 1481 CB VAL A 90 5.265 -1.447 -5.703 1.00 25.13 C ATOM 1482 CG1 VAL A 90 3.910 -0.989 -5.101 1.00 64.43 C ATOM 1483 CG2 VAL A 90 5.817 -0.407 -6.712 1.00 12.53 C ATOM 0 H VAL A 90 7.701 -2.022 -6.154 1.00 11.34 H new ATOM 0 HA VAL A 90 6.373 -0.904 -3.902 1.00 41.44 H new ATOM 0 HB VAL A 90 5.080 -2.372 -6.248 1.00 25.13 H new ATOM 0 HG11 VAL A 90 3.205 -0.782 -5.906 1.00 64.43 H new ATOM 0 HG12 VAL A 90 3.510 -1.777 -4.463 1.00 64.43 H new ATOM 0 HG13 VAL A 90 4.061 -0.086 -4.510 1.00 64.43 H new ATOM 0 HG21 VAL A 90 5.067 -0.210 -7.478 1.00 12.53 H new ATOM 0 HG22 VAL A 90 6.052 0.519 -6.188 1.00 12.53 H new ATOM 0 HG23 VAL A 90 6.720 -0.798 -7.180 1.00 12.53 H new ATOM 1493 N LYS A 91 6.180 -4.223 -4.323 1.00 22.23 N ATOM 1494 CA LYS A 91 5.855 -5.521 -3.669 1.00 12.43 C ATOM 1495 C LYS A 91 6.592 -5.698 -2.325 1.00 72.23 C ATOM 1496 O LYS A 91 6.020 -6.231 -1.379 1.00 12.30 O ATOM 1497 CB LYS A 91 6.174 -6.744 -4.582 1.00 21.33 C ATOM 1498 CG LYS A 91 5.328 -6.831 -5.869 1.00 41.52 C ATOM 1499 CD LYS A 91 5.268 -8.263 -6.472 1.00 52.22 C ATOM 1500 CE LYS A 91 6.628 -8.778 -6.974 1.00 43.31 C ATOM 1501 NZ LYS A 91 7.104 -8.028 -8.161 1.00 13.42 N ATOM 0 H LYS A 91 6.650 -4.323 -5.223 1.00 22.23 H new ATOM 0 HA LYS A 91 4.781 -5.488 -3.486 1.00 12.43 H new ATOM 0 HB2 LYS A 91 7.228 -6.707 -4.859 1.00 21.33 H new ATOM 0 HB3 LYS A 91 6.027 -7.657 -4.006 1.00 21.33 H new ATOM 0 HG2 LYS A 91 4.315 -6.493 -5.652 1.00 41.52 H new ATOM 0 HG3 LYS A 91 5.740 -6.148 -6.613 1.00 41.52 H new ATOM 0 HD2 LYS A 91 4.885 -8.950 -5.717 1.00 52.22 H new ATOM 0 HD3 LYS A 91 4.558 -8.270 -7.299 1.00 52.22 H new ATOM 0 HE2 LYS A 91 7.364 -8.696 -6.174 1.00 43.31 H new ATOM 0 HE3 LYS A 91 6.545 -9.836 -7.223 1.00 43.31 H new ATOM 0 HZ1 LYS A 91 8.136 -8.128 -8.244 1.00 13.42 H new ATOM 0 HZ2 LYS A 91 6.649 -8.407 -9.016 1.00 13.42 H new ATOM 0 HZ3 LYS A 91 6.861 -7.022 -8.056 1.00 13.42 H new ATOM 1515 N LYS A 92 7.866 -5.267 -2.271 1.00 41.42 N ATOM 1516 CA LYS A 92 8.696 -5.365 -1.053 1.00 23.23 C ATOM 1517 C LYS A 92 8.202 -4.411 0.063 1.00 74.51 C ATOM 1518 O LYS A 92 8.262 -4.741 1.253 1.00 22.12 O ATOM 1519 CB LYS A 92 10.175 -5.068 -1.390 1.00 74.53 C ATOM 1520 CG LYS A 92 11.129 -5.123 -0.172 1.00 34.21 C ATOM 1521 CD LYS A 92 11.209 -6.524 0.500 1.00 41.33 C ATOM 1522 CE LYS A 92 11.742 -7.614 -0.446 1.00 24.43 C ATOM 1523 NZ LYS A 92 13.059 -7.247 -1.021 1.00 40.44 N ATOM 0 H LYS A 92 8.348 -4.844 -3.064 1.00 41.42 H new ATOM 0 HA LYS A 92 8.607 -6.384 -0.677 1.00 23.23 H new ATOM 0 HB2 LYS A 92 10.516 -5.785 -2.137 1.00 74.53 H new ATOM 0 HB3 LYS A 92 10.241 -4.079 -1.844 1.00 74.53 H new ATOM 0 HG2 LYS A 92 12.128 -4.826 -0.491 1.00 34.21 H new ATOM 0 HG3 LYS A 92 10.801 -4.393 0.568 1.00 34.21 H new ATOM 0 HD2 LYS A 92 11.854 -6.464 1.377 1.00 41.33 H new ATOM 0 HD3 LYS A 92 10.218 -6.809 0.852 1.00 41.33 H new ATOM 0 HE2 LYS A 92 11.832 -8.555 0.097 1.00 24.43 H new ATOM 0 HE3 LYS A 92 11.026 -7.778 -1.252 1.00 24.43 H new ATOM 0 HZ1 LYS A 92 13.456 -8.063 -1.529 1.00 40.44 H new ATOM 0 HZ2 LYS A 92 12.940 -6.453 -1.682 1.00 40.44 H new ATOM 0 HZ3 LYS A 92 13.706 -6.967 -0.256 1.00 40.44 H new ATOM 1537 N LYS A 93 7.738 -3.224 -0.341 1.00 10.23 N ATOM 1538 CA LYS A 93 7.179 -2.221 0.589 1.00 52.21 C ATOM 1539 C LYS A 93 5.841 -2.684 1.198 1.00 73.40 C ATOM 1540 O LYS A 93 5.598 -2.497 2.387 1.00 71.11 O ATOM 1541 CB LYS A 93 6.986 -0.883 -0.146 1.00 13.02 C ATOM 1542 CG LYS A 93 8.294 -0.175 -0.558 1.00 52.52 C ATOM 1543 CD LYS A 93 9.160 0.227 0.657 1.00 63.43 C ATOM 1544 CE LYS A 93 10.383 1.062 0.256 1.00 61.45 C ATOM 1545 NZ LYS A 93 9.992 2.360 -0.350 1.00 54.14 N ATOM 0 H LYS A 93 7.736 -2.926 -1.317 1.00 10.23 H new ATOM 0 HA LYS A 93 7.887 -2.095 1.408 1.00 52.21 H new ATOM 0 HB2 LYS A 93 6.388 -1.059 -1.040 1.00 13.02 H new ATOM 0 HB3 LYS A 93 6.413 -0.212 0.494 1.00 13.02 H new ATOM 0 HG2 LYS A 93 8.870 -0.833 -1.208 1.00 52.52 H new ATOM 0 HG3 LYS A 93 8.053 0.716 -1.139 1.00 52.52 H new ATOM 0 HD2 LYS A 93 8.551 0.795 1.361 1.00 63.43 H new ATOM 0 HD3 LYS A 93 9.492 -0.672 1.176 1.00 63.43 H new ATOM 0 HE2 LYS A 93 11.003 1.243 1.134 1.00 61.45 H new ATOM 0 HE3 LYS A 93 10.991 0.499 -0.452 1.00 61.45 H new ATOM 0 HZ1 LYS A 93 10.807 3.006 -0.343 1.00 54.14 H new ATOM 0 HZ2 LYS A 93 9.681 2.206 -1.330 1.00 54.14 H new ATOM 0 HZ3 LYS A 93 9.214 2.779 0.198 1.00 54.14 H new ATOM 1559 N LEU A 94 4.985 -3.285 0.358 1.00 3.32 N ATOM 1560 CA LEU A 94 3.677 -3.833 0.786 1.00 72.00 C ATOM 1561 C LEU A 94 3.903 -5.139 1.615 1.00 31.50 C ATOM 1562 O LEU A 94 3.126 -5.460 2.530 1.00 73.20 O ATOM 1563 CB LEU A 94 2.771 -4.053 -0.476 1.00 43.21 C ATOM 1564 CG LEU A 94 1.214 -3.934 -0.293 1.00 12.34 C ATOM 1565 CD1 LEU A 94 0.630 -5.071 0.557 1.00 0.21 C ATOM 1566 CD2 LEU A 94 0.829 -2.550 0.282 1.00 50.22 C ATOM 0 H LEU A 94 5.174 -3.408 -0.637 1.00 3.32 H new ATOM 0 HA LEU A 94 3.156 -3.132 1.438 1.00 72.00 H new ATOM 0 HB2 LEU A 94 3.075 -3.332 -1.235 1.00 43.21 H new ATOM 0 HB3 LEU A 94 2.986 -5.045 -0.874 1.00 43.21 H new ATOM 0 HG LEU A 94 0.771 -4.030 -1.285 1.00 12.34 H new ATOM 0 HD11 LEU A 94 -0.448 -4.939 0.651 1.00 0.21 H new ATOM 0 HD12 LEU A 94 0.838 -6.027 0.077 1.00 0.21 H new ATOM 0 HD13 LEU A 94 1.085 -5.055 1.547 1.00 0.21 H new ATOM 0 HD21 LEU A 94 -0.253 -2.493 0.399 1.00 50.22 H new ATOM 0 HD22 LEU A 94 1.307 -2.413 1.252 1.00 50.22 H new ATOM 0 HD23 LEU A 94 1.162 -1.767 -0.400 1.00 50.22 H new ATOM 1578 N ASP A 95 5.003 -5.860 1.296 1.00 62.24 N ATOM 1579 CA ASP A 95 5.496 -7.004 2.099 1.00 33.53 C ATOM 1580 C ASP A 95 5.848 -6.514 3.524 1.00 41.34 C ATOM 1581 O ASP A 95 5.455 -7.119 4.517 1.00 71.14 O ATOM 1582 CB ASP A 95 6.764 -7.638 1.427 1.00 21.34 C ATOM 1583 CG ASP A 95 6.762 -9.177 1.432 1.00 35.14 C ATOM 1584 OD1 ASP A 95 6.888 -9.775 2.518 1.00 4.54 O ATOM 1585 OD2 ASP A 95 6.653 -9.795 0.350 1.00 51.52 O ATOM 0 H ASP A 95 5.574 -5.665 0.474 1.00 62.24 H new ATOM 0 HA ASP A 95 4.716 -7.763 2.154 1.00 33.53 H new ATOM 0 HB2 ASP A 95 6.833 -7.287 0.397 1.00 21.34 H new ATOM 0 HB3 ASP A 95 7.655 -7.283 1.945 1.00 21.34 H new ATOM 1590 N MET A 96 6.575 -5.380 3.569 1.00 31.12 N ATOM 1591 CA MET A 96 7.011 -4.704 4.809 1.00 30.12 C ATOM 1592 C MET A 96 5.804 -4.278 5.683 1.00 42.22 C ATOM 1593 O MET A 96 5.865 -4.389 6.904 1.00 51.31 O ATOM 1594 CB MET A 96 7.911 -3.485 4.438 1.00 61.12 C ATOM 1595 CG MET A 96 8.459 -2.658 5.624 1.00 64.24 C ATOM 1596 SD MET A 96 7.195 -1.692 6.498 1.00 41.14 S ATOM 1597 CE MET A 96 8.098 -1.126 7.948 1.00 12.35 C ATOM 0 H MET A 96 6.883 -4.897 2.725 1.00 31.12 H new ATOM 0 HA MET A 96 7.592 -5.404 5.409 1.00 30.12 H new ATOM 0 HB2 MET A 96 8.756 -3.848 3.853 1.00 61.12 H new ATOM 0 HB3 MET A 96 7.338 -2.820 3.792 1.00 61.12 H new ATOM 0 HG2 MET A 96 8.940 -3.333 6.332 1.00 64.24 H new ATOM 0 HG3 MET A 96 9.229 -1.980 5.256 1.00 64.24 H new ATOM 0 HE1 MET A 96 7.441 -0.521 8.573 1.00 12.35 H new ATOM 0 HE2 MET A 96 8.448 -1.987 8.517 1.00 12.35 H new ATOM 0 HE3 MET A 96 8.953 -0.527 7.634 1.00 12.35 H new ATOM 1607 N VAL A 97 4.715 -3.796 5.041 1.00 43.14 N ATOM 1608 CA VAL A 97 3.438 -3.455 5.735 1.00 34.52 C ATOM 1609 C VAL A 97 2.864 -4.694 6.479 1.00 54.00 C ATOM 1610 O VAL A 97 2.443 -4.609 7.644 1.00 50.54 O ATOM 1611 CB VAL A 97 2.365 -2.893 4.718 1.00 14.20 C ATOM 1612 CG1 VAL A 97 1.027 -2.531 5.420 1.00 32.41 C ATOM 1613 CG2 VAL A 97 2.929 -1.680 3.936 1.00 64.34 C ATOM 0 H VAL A 97 4.690 -3.631 4.035 1.00 43.14 H new ATOM 0 HA VAL A 97 3.661 -2.677 6.466 1.00 34.52 H new ATOM 0 HB VAL A 97 2.146 -3.689 4.006 1.00 14.20 H new ATOM 0 HG11 VAL A 97 0.321 -2.149 4.683 1.00 32.41 H new ATOM 0 HG12 VAL A 97 0.612 -3.421 5.893 1.00 32.41 H new ATOM 0 HG13 VAL A 97 1.208 -1.768 6.177 1.00 32.41 H new ATOM 0 HG21 VAL A 97 2.173 -1.311 3.243 1.00 64.34 H new ATOM 0 HG22 VAL A 97 3.197 -0.889 4.636 1.00 64.34 H new ATOM 0 HG23 VAL A 97 3.814 -1.986 3.378 1.00 64.34 H new ATOM 1623 N THR A 98 2.891 -5.848 5.788 1.00 40.12 N ATOM 1624 CA THR A 98 2.471 -7.152 6.351 1.00 42.44 C ATOM 1625 C THR A 98 3.414 -7.600 7.508 1.00 52.22 C ATOM 1626 O THR A 98 2.946 -8.096 8.534 1.00 14.33 O ATOM 1627 CB THR A 98 2.435 -8.261 5.233 1.00 61.32 C ATOM 1628 OG1 THR A 98 1.552 -7.861 4.166 1.00 40.11 O ATOM 1629 CG2 THR A 98 1.989 -9.636 5.777 1.00 42.42 C ATOM 0 H THR A 98 3.205 -5.907 4.819 1.00 40.12 H new ATOM 0 HA THR A 98 1.467 -7.023 6.754 1.00 42.44 H new ATOM 0 HB THR A 98 3.454 -8.367 4.860 1.00 61.32 H new ATOM 0 HG1 THR A 98 1.985 -7.167 3.626 1.00 40.11 H new ATOM 0 HG21 THR A 98 1.982 -10.363 4.965 1.00 42.42 H new ATOM 0 HG22 THR A 98 2.683 -9.963 6.551 1.00 42.42 H new ATOM 0 HG23 THR A 98 0.987 -9.553 6.199 1.00 42.42 H new ATOM 1637 N ARG A 99 4.739 -7.389 7.327 1.00 44.44 N ATOM 1638 CA ARG A 99 5.785 -7.774 8.318 1.00 45.43 C ATOM 1639 C ARG A 99 5.725 -6.892 9.591 1.00 22.44 C ATOM 1640 O ARG A 99 5.997 -7.362 10.699 1.00 43.34 O ATOM 1641 CB ARG A 99 7.200 -7.673 7.681 1.00 33.41 C ATOM 1642 CG ARG A 99 7.433 -8.614 6.474 1.00 31.14 C ATOM 1643 CD ARG A 99 8.798 -8.387 5.794 1.00 20.31 C ATOM 1644 NE ARG A 99 8.936 -9.190 4.569 1.00 52.11 N ATOM 1645 CZ ARG A 99 10.041 -9.374 3.887 1.00 21.21 C ATOM 1646 NH1 ARG A 99 11.178 -8.893 4.287 1.00 21.23 N ATOM 1647 NH2 ARG A 99 9.999 -10.071 2.800 1.00 71.20 N ATOM 0 H ARG A 99 5.119 -6.947 6.490 1.00 44.44 H new ATOM 0 HA ARG A 99 5.589 -8.806 8.610 1.00 45.43 H new ATOM 0 HB2 ARG A 99 7.367 -6.645 7.361 1.00 33.41 H new ATOM 0 HB3 ARG A 99 7.945 -7.894 8.446 1.00 33.41 H new ATOM 0 HG2 ARG A 99 7.366 -9.649 6.808 1.00 31.14 H new ATOM 0 HG3 ARG A 99 6.639 -8.463 5.743 1.00 31.14 H new ATOM 0 HD2 ARG A 99 8.912 -7.331 5.551 1.00 20.31 H new ATOM 0 HD3 ARG A 99 9.598 -8.643 6.489 1.00 20.31 H new ATOM 0 HE ARG A 99 8.094 -9.646 4.217 1.00 52.11 H new ATOM 0 HH11 ARG A 99 11.228 -8.356 5.153 1.00 21.23 H new ATOM 0 HH12 ARG A 99 12.021 -9.052 3.736 1.00 21.23 H new ATOM 0 HH21 ARG A 99 9.115 -10.469 2.483 1.00 71.20 H new ATOM 0 HH22 ARG A 99 10.850 -10.223 2.258 1.00 71.20 H new ATOM 1661 N GLU A 100 5.371 -5.612 9.406 1.00 13.35 N ATOM 1662 CA GLU A 100 5.240 -4.637 10.505 1.00 62.32 C ATOM 1663 C GLU A 100 4.025 -4.977 11.387 1.00 13.22 C ATOM 1664 O GLU A 100 4.105 -4.908 12.614 1.00 73.41 O ATOM 1665 CB GLU A 100 5.136 -3.184 9.948 1.00 4.03 C ATOM 1666 CG GLU A 100 4.874 -2.061 11.001 1.00 61.32 C ATOM 1667 CD GLU A 100 6.024 -1.757 12.003 1.00 32.21 C ATOM 1668 OE1 GLU A 100 6.897 -2.617 12.250 1.00 3.22 O ATOM 1669 OE2 GLU A 100 6.018 -0.657 12.600 1.00 52.34 O ATOM 0 H GLU A 100 5.166 -5.220 8.487 1.00 13.35 H new ATOM 0 HA GLU A 100 6.136 -4.695 11.123 1.00 62.32 H new ATOM 0 HB2 GLU A 100 6.062 -2.951 9.422 1.00 4.03 H new ATOM 0 HB3 GLU A 100 4.334 -3.156 9.210 1.00 4.03 H new ATOM 0 HG2 GLU A 100 4.638 -1.141 10.465 1.00 61.32 H new ATOM 0 HG3 GLU A 100 3.987 -2.333 11.574 1.00 61.32 H new ATOM 1676 N LEU A 101 2.906 -5.361 10.739 1.00 61.03 N ATOM 1677 CA LEU A 101 1.679 -5.795 11.440 1.00 42.12 C ATOM 1678 C LEU A 101 1.911 -7.178 12.117 1.00 1.31 C ATOM 1679 O LEU A 101 1.437 -7.429 13.233 1.00 51.22 O ATOM 1680 CB LEU A 101 0.464 -5.824 10.453 1.00 64.52 C ATOM 1681 CG LEU A 101 -0.955 -5.537 11.067 1.00 52.24 C ATOM 1682 CD1 LEU A 101 -1.419 -6.640 12.047 1.00 54.43 C ATOM 1683 CD2 LEU A 101 -0.993 -4.136 11.731 1.00 35.41 C ATOM 0 H LEU A 101 2.827 -5.379 9.722 1.00 61.03 H new ATOM 0 HA LEU A 101 1.441 -5.077 12.225 1.00 42.12 H new ATOM 0 HB2 LEU A 101 0.648 -5.093 9.666 1.00 64.52 H new ATOM 0 HB3 LEU A 101 0.436 -6.804 9.977 1.00 64.52 H new ATOM 0 HG LEU A 101 -1.666 -5.547 10.241 1.00 52.24 H new ATOM 0 HD11 LEU A 101 -2.404 -6.388 12.439 1.00 54.43 H new ATOM 0 HD12 LEU A 101 -1.470 -7.594 11.523 1.00 54.43 H new ATOM 0 HD13 LEU A 101 -0.710 -6.717 12.871 1.00 54.43 H new ATOM 0 HD21 LEU A 101 -1.984 -3.958 12.149 1.00 35.41 H new ATOM 0 HD22 LEU A 101 -0.250 -4.090 12.527 1.00 35.41 H new ATOM 0 HD23 LEU A 101 -0.772 -3.373 10.984 1.00 35.41 H new ATOM 1695 N ASP A 102 2.673 -8.045 11.432 1.00 0.24 N ATOM 1696 CA ASP A 102 3.086 -9.369 11.954 1.00 63.20 C ATOM 1697 C ASP A 102 3.907 -9.214 13.265 1.00 73.22 C ATOM 1698 O ASP A 102 3.790 -10.017 14.195 1.00 53.12 O ATOM 1699 CB ASP A 102 3.911 -10.104 10.860 1.00 64.20 C ATOM 1700 CG ASP A 102 4.266 -11.557 11.210 1.00 62.10 C ATOM 1701 OD1 ASP A 102 3.389 -12.434 11.074 1.00 13.35 O ATOM 1702 OD2 ASP A 102 5.425 -11.834 11.597 1.00 2.20 O ATOM 0 H ASP A 102 3.025 -7.851 10.494 1.00 0.24 H new ATOM 0 HA ASP A 102 2.202 -9.959 12.195 1.00 63.20 H new ATOM 0 HB2 ASP A 102 3.347 -10.094 9.927 1.00 64.20 H new ATOM 0 HB3 ASP A 102 4.832 -9.549 10.681 1.00 64.20 H new ATOM 1707 N LYS A 103 4.719 -8.146 13.314 1.00 5.00 N ATOM 1708 CA LYS A 103 5.524 -7.775 14.495 1.00 31.12 C ATOM 1709 C LYS A 103 4.693 -6.926 15.512 1.00 63.14 C ATOM 1710 O LYS A 103 5.003 -6.901 16.710 1.00 70.53 O ATOM 1711 CB LYS A 103 6.794 -7.000 14.020 1.00 21.13 C ATOM 1712 CG LYS A 103 7.803 -6.651 15.136 1.00 5.11 C ATOM 1713 CD LYS A 103 8.349 -7.902 15.871 1.00 31.21 C ATOM 1714 CE LYS A 103 9.158 -7.547 17.127 1.00 71.32 C ATOM 1715 NZ LYS A 103 8.336 -6.804 18.120 1.00 74.42 N ATOM 0 H LYS A 103 4.838 -7.507 12.528 1.00 5.00 H new ATOM 0 HA LYS A 103 5.827 -8.682 15.017 1.00 31.12 H new ATOM 0 HB2 LYS A 103 7.304 -7.597 13.264 1.00 21.13 H new ATOM 0 HB3 LYS A 103 6.477 -6.076 13.536 1.00 21.13 H new ATOM 0 HG2 LYS A 103 8.637 -6.097 14.704 1.00 5.11 H new ATOM 0 HG3 LYS A 103 7.323 -5.992 15.859 1.00 5.11 H new ATOM 0 HD2 LYS A 103 7.515 -8.546 16.151 1.00 31.21 H new ATOM 0 HD3 LYS A 103 8.978 -8.473 15.188 1.00 31.21 H new ATOM 0 HE2 LYS A 103 9.542 -8.460 17.583 1.00 71.32 H new ATOM 0 HE3 LYS A 103 10.021 -6.944 16.845 1.00 71.32 H new ATOM 0 HZ1 LYS A 103 8.804 -6.832 19.048 1.00 74.42 H new ATOM 0 HZ2 LYS A 103 8.232 -5.815 17.814 1.00 74.42 H new ATOM 0 HZ3 LYS A 103 7.397 -7.245 18.192 1.00 74.42 H new ATOM 1729 N LYS A 104 3.621 -6.263 15.021 1.00 40.02 N ATOM 1730 CA LYS A 104 2.782 -5.329 15.827 1.00 13.51 C ATOM 1731 C LYS A 104 1.921 -6.085 16.866 1.00 71.52 C ATOM 1732 O LYS A 104 1.718 -5.603 17.984 1.00 61.31 O ATOM 1733 CB LYS A 104 1.855 -4.493 14.890 1.00 54.21 C ATOM 1734 CG LYS A 104 1.241 -3.221 15.525 1.00 10.21 C ATOM 1735 CD LYS A 104 2.304 -2.131 15.810 1.00 54.11 C ATOM 1736 CE LYS A 104 2.935 -1.562 14.521 1.00 42.24 C ATOM 1737 NZ LYS A 104 4.066 -0.642 14.811 1.00 42.13 N ATOM 0 H LYS A 104 3.308 -6.357 14.055 1.00 40.02 H new ATOM 0 HA LYS A 104 3.457 -4.664 16.365 1.00 13.51 H new ATOM 0 HB2 LYS A 104 2.427 -4.199 14.010 1.00 54.21 H new ATOM 0 HB3 LYS A 104 1.044 -5.134 14.544 1.00 54.21 H new ATOM 0 HG2 LYS A 104 0.480 -2.817 14.858 1.00 10.21 H new ATOM 0 HG3 LYS A 104 0.740 -3.488 16.455 1.00 10.21 H new ATOM 0 HD2 LYS A 104 1.844 -1.319 16.373 1.00 54.11 H new ATOM 0 HD3 LYS A 104 3.089 -2.551 16.439 1.00 54.11 H new ATOM 0 HE2 LYS A 104 3.287 -2.383 13.897 1.00 42.24 H new ATOM 0 HE3 LYS A 104 2.174 -1.031 13.949 1.00 42.24 H new ATOM 0 HZ1 LYS A 104 4.745 -0.668 14.024 1.00 42.13 H new ATOM 0 HZ2 LYS A 104 3.705 0.327 14.925 1.00 42.13 H new ATOM 0 HZ3 LYS A 104 4.540 -0.940 15.688 1.00 42.13 H new ATOM 1751 N VAL A 105 1.409 -7.269 16.465 1.00 41.22 N ATOM 1752 CA VAL A 105 0.610 -8.151 17.353 1.00 5.33 C ATOM 1753 C VAL A 105 1.460 -8.698 18.536 1.00 23.21 C ATOM 1754 O VAL A 105 0.916 -9.068 19.584 1.00 24.11 O ATOM 1755 CB VAL A 105 -0.041 -9.345 16.550 1.00 44.51 C ATOM 1756 CG1 VAL A 105 -0.985 -8.820 15.437 1.00 63.23 C ATOM 1757 CG2 VAL A 105 1.037 -10.297 15.967 1.00 75.01 C ATOM 0 H VAL A 105 1.535 -7.641 15.524 1.00 41.22 H new ATOM 0 HA VAL A 105 -0.192 -7.539 17.766 1.00 5.33 H new ATOM 0 HB VAL A 105 -0.640 -9.923 17.253 1.00 44.51 H new ATOM 0 HG11 VAL A 105 -1.419 -9.664 14.900 1.00 63.23 H new ATOM 0 HG12 VAL A 105 -1.782 -8.226 15.886 1.00 63.23 H new ATOM 0 HG13 VAL A 105 -0.419 -8.200 14.742 1.00 63.23 H new ATOM 0 HG21 VAL A 105 0.551 -11.106 15.421 1.00 75.01 H new ATOM 0 HG22 VAL A 105 1.686 -9.741 15.290 1.00 75.01 H new ATOM 0 HG23 VAL A 105 1.632 -10.714 16.780 1.00 75.01 H new ATOM 1767 N SER A 106 2.796 -8.736 18.349 1.00 31.15 N ATOM 1768 CA SER A 106 3.752 -9.101 19.412 1.00 22.32 C ATOM 1769 C SER A 106 4.137 -7.834 20.217 1.00 43.14 C ATOM 1770 O SER A 106 5.076 -7.109 19.858 1.00 4.31 O ATOM 1771 CB SER A 106 5.007 -9.778 18.807 1.00 15.24 C ATOM 1772 OG SER A 106 5.916 -10.189 19.821 1.00 41.10 O ATOM 0 H SER A 106 3.240 -8.515 17.458 1.00 31.15 H new ATOM 0 HA SER A 106 3.283 -9.817 20.087 1.00 22.32 H new ATOM 0 HB2 SER A 106 4.706 -10.642 18.214 1.00 15.24 H new ATOM 0 HB3 SER A 106 5.505 -9.085 18.129 1.00 15.24 H new ATOM 0 HG SER A 106 6.697 -10.614 19.408 1.00 41.10 H new ATOM 1778 N GLY A 107 3.368 -7.567 21.289 1.00 60.34 N ATOM 1779 CA GLY A 107 3.524 -6.348 22.112 1.00 53.11 C ATOM 1780 C GLY A 107 2.231 -5.517 22.179 1.00 45.11 C ATOM 1781 O GLY A 107 1.483 -5.444 21.196 1.00 21.21 O ATOM 0 H GLY A 107 2.623 -8.186 21.610 1.00 60.34 H new ATOM 0 HA2 GLY A 107 3.824 -6.630 23.121 1.00 53.11 H new ATOM 0 HA3 GLY A 107 4.326 -5.735 21.700 1.00 53.11 H new ATOM 1785 N SER A 108 1.970 -4.881 23.339 1.00 54.21 N ATOM 1786 CA SER A 108 0.759 -4.043 23.552 1.00 61.31 C ATOM 1787 C SER A 108 1.023 -2.571 23.144 1.00 61.31 C ATOM 1788 O SER A 108 1.500 -1.756 23.945 1.00 51.44 O ATOM 1789 CB SER A 108 0.284 -4.127 25.029 1.00 21.34 C ATOM 1790 OG SER A 108 -0.887 -3.345 25.251 1.00 50.45 O ATOM 0 H SER A 108 2.584 -4.929 24.152 1.00 54.21 H new ATOM 0 HA SER A 108 -0.035 -4.432 22.915 1.00 61.31 H new ATOM 0 HB2 SER A 108 0.082 -5.166 25.288 1.00 21.34 H new ATOM 0 HB3 SER A 108 1.081 -3.784 25.688 1.00 21.34 H new ATOM 0 HG SER A 108 -1.159 -3.422 26.189 1.00 50.45 H new ATOM 1796 N TYR A 109 0.717 -2.251 21.872 1.00 42.51 N ATOM 1797 CA TYR A 109 0.896 -0.895 21.286 1.00 65.52 C ATOM 1798 C TYR A 109 -0.419 -0.074 21.328 1.00 72.33 C ATOM 1799 O TYR A 109 -0.663 0.779 20.469 1.00 34.21 O ATOM 1800 CB TYR A 109 1.434 -1.039 19.830 1.00 10.43 C ATOM 1801 CG TYR A 109 2.904 -1.482 19.762 1.00 21.12 C ATOM 1802 CD1 TYR A 109 3.269 -2.834 19.806 1.00 22.22 C ATOM 1803 CD2 TYR A 109 3.930 -0.537 19.687 1.00 64.53 C ATOM 1804 CE1 TYR A 109 4.598 -3.217 19.782 1.00 70.41 C ATOM 1805 CE2 TYR A 109 5.255 -0.917 19.656 1.00 71.50 C ATOM 1806 CZ TYR A 109 5.584 -2.254 19.706 1.00 22.53 C ATOM 1807 OH TYR A 109 6.908 -2.624 19.687 1.00 70.05 O ATOM 0 H TYR A 109 0.335 -2.927 21.211 1.00 42.51 H new ATOM 0 HA TYR A 109 1.621 -0.343 21.883 1.00 65.52 H new ATOM 0 HB2 TYR A 109 0.819 -1.762 19.294 1.00 10.43 H new ATOM 0 HB3 TYR A 109 1.326 -0.085 19.315 1.00 10.43 H new ATOM 0 HD1 TYR A 109 2.500 -3.590 19.860 1.00 22.22 H new ATOM 0 HD2 TYR A 109 3.680 0.513 19.653 1.00 64.53 H new ATOM 0 HE1 TYR A 109 4.863 -4.263 19.822 1.00 70.41 H new ATOM 0 HE2 TYR A 109 6.032 -0.170 19.593 1.00 71.50 H new ATOM 0 HH TYR A 109 7.471 -1.824 19.630 1.00 70.05 H new ATOM 1817 N LEU A 110 -1.230 -0.296 22.383 1.00 31.22 N ATOM 1818 CA LEU A 110 -2.533 0.387 22.581 1.00 10.53 C ATOM 1819 C LEU A 110 -2.332 1.741 23.324 1.00 14.24 C ATOM 1820 O LEU A 110 -2.952 2.003 24.362 1.00 4.31 O ATOM 1821 CB LEU A 110 -3.527 -0.551 23.354 1.00 52.33 C ATOM 1822 CG LEU A 110 -4.051 -1.823 22.590 1.00 34.01 C ATOM 1823 CD1 LEU A 110 -2.935 -2.865 22.332 1.00 24.04 C ATOM 1824 CD2 LEU A 110 -5.250 -2.466 23.332 1.00 54.34 C ATOM 0 H LEU A 110 -1.002 -0.956 23.127 1.00 31.22 H new ATOM 0 HA LEU A 110 -2.969 0.606 21.606 1.00 10.53 H new ATOM 0 HB2 LEU A 110 -3.036 -0.884 24.269 1.00 52.33 H new ATOM 0 HB3 LEU A 110 -4.390 0.044 23.653 1.00 52.33 H new ATOM 0 HG LEU A 110 -4.394 -1.481 21.614 1.00 34.01 H new ATOM 0 HD11 LEU A 110 -3.352 -3.721 21.802 1.00 24.04 H new ATOM 0 HD12 LEU A 110 -2.148 -2.413 21.728 1.00 24.04 H new ATOM 0 HD13 LEU A 110 -2.518 -3.195 23.284 1.00 24.04 H new ATOM 0 HD21 LEU A 110 -5.591 -3.343 22.781 1.00 54.34 H new ATOM 0 HD22 LEU A 110 -4.940 -2.765 24.334 1.00 54.34 H new ATOM 0 HD23 LEU A 110 -6.063 -1.744 23.404 1.00 54.34 H new ATOM 1836 N VAL A 111 -1.449 2.592 22.773 1.00 54.23 N ATOM 1837 CA VAL A 111 -1.119 3.920 23.344 1.00 74.23 C ATOM 1838 C VAL A 111 -1.592 5.066 22.401 1.00 42.44 C ATOM 1839 O VAL A 111 -1.383 4.996 21.180 1.00 64.14 O ATOM 1840 CB VAL A 111 0.431 4.069 23.639 1.00 14.12 C ATOM 1841 CG1 VAL A 111 0.871 3.157 24.812 1.00 71.51 C ATOM 1842 CG2 VAL A 111 1.288 3.788 22.370 1.00 75.45 C ATOM 0 H VAL A 111 -0.939 2.382 21.915 1.00 54.23 H new ATOM 0 HA VAL A 111 -1.651 3.998 24.292 1.00 74.23 H new ATOM 0 HB VAL A 111 0.603 5.105 23.932 1.00 14.12 H new ATOM 0 HG11 VAL A 111 1.939 3.282 24.989 1.00 71.51 H new ATOM 0 HG12 VAL A 111 0.319 3.430 25.712 1.00 71.51 H new ATOM 0 HG13 VAL A 111 0.665 2.117 24.561 1.00 71.51 H new ATOM 0 HG21 VAL A 111 2.345 3.900 22.612 1.00 75.45 H new ATOM 0 HG22 VAL A 111 1.101 2.772 22.022 1.00 75.45 H new ATOM 0 HG23 VAL A 111 1.019 4.495 21.585 1.00 75.45 H new ATOM 1852 N PRO A 112 -2.258 6.139 22.946 1.00 3.12 N ATOM 1853 CA PRO A 112 -2.577 7.361 22.161 1.00 43.20 C ATOM 1854 C PRO A 112 -1.355 8.314 22.026 1.00 75.23 C ATOM 1855 O PRO A 112 -1.400 9.297 21.287 1.00 64.32 O ATOM 1856 CB PRO A 112 -3.712 8.006 22.991 1.00 13.00 C ATOM 1857 CG PRO A 112 -3.394 7.631 24.411 1.00 25.40 C ATOM 1858 CD PRO A 112 -2.778 6.240 24.348 1.00 20.52 C ATOM 0 HA PRO A 112 -2.858 7.142 21.131 1.00 43.20 H new ATOM 0 HB2 PRO A 112 -3.734 9.088 22.861 1.00 13.00 H new ATOM 0 HB3 PRO A 112 -4.689 7.629 22.689 1.00 13.00 H new ATOM 0 HG2 PRO A 112 -2.702 8.345 24.858 1.00 25.40 H new ATOM 0 HG3 PRO A 112 -4.294 7.632 25.026 1.00 25.40 H new ATOM 0 HD2 PRO A 112 -1.979 6.124 25.080 1.00 20.52 H new ATOM 0 HD3 PRO A 112 -3.517 5.466 24.557 1.00 20.52 H new ATOM 1866 N ARG A 113 -0.274 8.012 22.781 1.00 73.45 N ATOM 1867 CA ARG A 113 0.975 8.807 22.799 1.00 30.52 C ATOM 1868 C ARG A 113 2.139 7.972 22.182 1.00 51.14 C ATOM 1869 O ARG A 113 2.515 8.220 21.019 1.00 38.28 O ATOM 1870 CB ARG A 113 1.308 9.237 24.265 1.00 52.23 C ATOM 1871 CG ARG A 113 0.152 9.946 25.009 1.00 64.11 C ATOM 1872 CD ARG A 113 -0.314 11.238 24.313 1.00 5.14 C ATOM 1873 NE ARG A 113 -1.472 11.841 24.993 1.00 22.13 N ATOM 1874 CZ ARG A 113 -2.061 12.966 24.643 1.00 63.34 C ATOM 1875 NH1 ARG A 113 -1.649 13.668 23.634 1.00 3.20 N ATOM 1876 NH2 ARG A 113 -3.082 13.374 25.312 1.00 30.34 N ATOM 1877 OXT ARG A 113 2.651 7.052 22.856 1.00 38.28 O ATOM 0 H ARG A 113 -0.244 7.202 23.400 1.00 73.45 H new ATOM 0 HA ARG A 113 0.844 9.708 22.200 1.00 30.52 H new ATOM 0 HB2 ARG A 113 1.598 8.352 24.832 1.00 52.23 H new ATOM 0 HB3 ARG A 113 2.172 9.901 24.247 1.00 52.23 H new ATOM 0 HG2 ARG A 113 -0.692 9.261 25.093 1.00 64.11 H new ATOM 0 HG3 ARG A 113 0.472 10.183 26.024 1.00 64.11 H new ATOM 0 HD2 ARG A 113 0.507 11.954 24.290 1.00 5.14 H new ATOM 0 HD3 ARG A 113 -0.575 11.019 23.278 1.00 5.14 H new ATOM 0 HE ARG A 113 -1.849 11.347 25.802 1.00 22.13 H new ATOM 0 HH11 ARG A 113 -0.848 13.353 23.087 1.00 3.20 H new ATOM 0 HH12 ARG A 113 -2.126 14.535 23.387 1.00 3.20 H new ATOM 0 HH21 ARG A 113 -3.425 12.828 26.102 1.00 30.34 H new ATOM 0 HH22 ARG A 113 -3.548 14.243 25.052 1.00 30.34 H new TER 1891 ARG A 113