USER MOD reduce.3.24.130724 H: found=0, std=0, add=1274, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1277 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 38 THR OG1 : rot 140:sc= 0 USER MOD Set 1.2: A 120 GLN : amide:sc= 0.423 X(o=0.42,f=0.012) USER MOD Set 2.1: A 101 TYR OH : rot -32:sc= 1.71 USER MOD Set 2.2: A 132 SER OG : rot 122:sc= 0.765 USER MOD Set 2.3: A 136 LYS NZ :NH3+ -165:sc= 1.1 (180deg=-0.148) USER MOD Set 3.1: A 68 SER OG : rot 19:sc= 0.287 USER MOD Set 3.2: A 71 CYS SG : rot -39:sc= 1.07 USER MOD Set 4.1: A 64 LYS NZ :NH3+ -170:sc= 0.147 (180deg=0.0863) USER MOD Set 4.2: A 67 TYR OH : rot 150:sc= -0.252 USER MOD Set 5.1: A 16 ASN : amide:sc= 0.266 K(o=0.37,f=-0.95) USER MOD Set 5.2: A 60 GLN :FLIP amide:sc= 0.109 F(o=-2.2!,f=0.37) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 15 SER OG : rot 100:sc= -0.271 USER MOD Single : A 18 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= 2.28 (180deg=-0.593!) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.124) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.13) USER MOD Single : A 30 ASN : amide:sc= -0.309 K(o=-0.31,f=-1.4) USER MOD Single : A 33 MET CE :methyl 173:sc= -6.18! (180deg=-6.27!) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= 0.276 (180deg=0.204) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.064) USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.1!) USER MOD Single : A 58 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.3!) USER MOD Single : A 61 SER OG : rot -34:sc= 0.174 USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-8.83e-05) USER MOD Single : A 72 GLN : amide:sc= -0.677 K(o=-0.68,f=-3.4!) USER MOD Single : A 75 LYS NZ :NH3+ 136:sc= 1.29 (180deg=0.731) USER MOD Single : A 78 LYS NZ :NH3+ -152:sc= -0.136 (180deg=-0.704) USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0397) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 88 GLN : amide:sc= 0.325 K(o=0.32,f=-1.5) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0.998 (180deg=0.998) USER MOD Single : A 104 LYS NZ :NH3+ -165:sc= -0.829 (180deg=-0.992!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 173:sc=-0.00499 (180deg=-0.0786) USER MOD Single : A 109 MET CE :methyl -173:sc= 0 (180deg=-0.12) USER MOD Single : A 112 ASN : amide:sc= 1.11 K(o=1.1,f=-1.4) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 154:sc= -3.25 (180deg=-4.84!) USER MOD Single : A 126 SER OG : rot 95:sc= 0.681 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot -141:sc= 1.22 USER MOD Single : A 138 LYS NZ :NH3+ -172:sc=-0.00018 (180deg=-0.0822) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 MET CE :methyl 148:sc= -2.78 (180deg=-9.14!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 MET CE :methyl 171:sc= -0.165 (180deg=-0.325) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot -173:sc= -1.93! USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -11.603 -9.064 -11.670 1.00 1.75 N ATOM 2 CA GLU A 3 -11.018 -7.704 -11.722 1.00 1.53 C ATOM 3 C GLU A 3 -11.518 -6.839 -10.569 1.00 1.23 C ATOM 4 O GLU A 3 -10.726 -6.376 -9.747 1.00 1.66 O ATOM 5 CB GLU A 3 -11.345 -7.036 -13.056 1.00 2.07 C ATOM 6 CG GLU A 3 -10.578 -7.627 -14.223 1.00 2.60 C ATOM 7 CD GLU A 3 -9.089 -7.386 -14.117 1.00 3.08 C ATOM 8 OE1 GLU A 3 -8.375 -8.272 -13.601 1.00 3.68 O ATOM 9 OE2 GLU A 3 -8.622 -6.314 -14.551 1.00 3.25 O ATOM 0 HA GLU A 3 -9.937 -7.804 -11.627 1.00 1.53 H new ATOM 0 HB2 GLU A 3 -12.414 -7.127 -13.248 1.00 2.07 H new ATOM 0 HB3 GLU A 3 -11.124 -5.971 -12.986 1.00 2.07 H new ATOM 0 HG2 GLU A 3 -10.767 -8.699 -14.272 1.00 2.60 H new ATOM 0 HG3 GLU A 3 -10.948 -7.195 -15.153 1.00 2.60 H new ATOM 18 N GLU A 4 -12.834 -6.647 -10.501 1.00 0.80 N ATOM 19 CA GLU A 4 -13.443 -5.751 -9.520 1.00 0.70 C ATOM 20 C GLU A 4 -13.133 -6.168 -8.083 1.00 0.61 C ATOM 21 O GLU A 4 -12.983 -5.321 -7.204 1.00 0.76 O ATOM 22 CB GLU A 4 -14.957 -5.703 -9.712 1.00 0.85 C ATOM 23 CG GLU A 4 -15.388 -5.170 -11.066 1.00 0.98 C ATOM 24 CD GLU A 4 -16.877 -4.909 -11.138 1.00 1.55 C ATOM 25 OE1 GLU A 4 -17.650 -5.879 -11.273 1.00 1.65 O ATOM 26 OE2 GLU A 4 -17.285 -3.730 -11.065 1.00 2.38 O ATOM 0 H GLU A 4 -13.504 -7.104 -11.119 1.00 0.80 H new ATOM 0 HA GLU A 4 -13.013 -4.763 -9.686 1.00 0.70 H new ATOM 0 HB2 GLU A 4 -15.362 -6.707 -9.582 1.00 0.85 H new ATOM 0 HB3 GLU A 4 -15.393 -5.080 -8.931 1.00 0.85 H new ATOM 0 HG2 GLU A 4 -14.850 -4.246 -11.277 1.00 0.98 H new ATOM 0 HG3 GLU A 4 -15.110 -5.885 -11.840 1.00 0.98 H new ATOM 33 N LYS A 5 -13.045 -7.468 -7.845 1.00 0.53 N ATOM 34 CA LYS A 5 -12.805 -7.983 -6.504 1.00 0.46 C ATOM 35 C LYS A 5 -11.424 -7.574 -6.003 1.00 0.34 C ATOM 36 O LYS A 5 -10.407 -7.836 -6.653 1.00 0.39 O ATOM 37 CB LYS A 5 -12.921 -9.503 -6.481 1.00 0.54 C ATOM 38 CG LYS A 5 -12.916 -10.091 -5.078 1.00 0.60 C ATOM 39 CD LYS A 5 -12.718 -11.598 -5.101 1.00 0.89 C ATOM 40 CE LYS A 5 -13.811 -12.304 -5.890 1.00 1.36 C ATOM 41 NZ LYS A 5 -13.580 -13.770 -5.972 1.00 1.61 N ATOM 0 H LYS A 5 -13.136 -8.187 -8.563 1.00 0.53 H new ATOM 0 HA LYS A 5 -13.562 -7.556 -5.847 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -13.841 -9.797 -6.986 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -12.095 -9.931 -7.049 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -12.122 -9.628 -4.492 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -13.857 -9.855 -4.581 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -11.747 -11.830 -5.539 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -12.705 -11.978 -4.079 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -14.777 -12.115 -5.421 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -13.858 -11.888 -6.896 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -14.347 -14.212 -6.518 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -12.671 -13.952 -6.443 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -13.560 -14.173 -5.013 1.00 1.61 H new ATOM 55 N GLY A 6 -11.401 -6.922 -4.852 1.00 0.26 N ATOM 56 CA GLY A 6 -10.147 -6.515 -4.252 1.00 0.20 C ATOM 57 C GLY A 6 -10.296 -5.255 -3.426 1.00 0.17 C ATOM 58 O GLY A 6 -11.415 -4.856 -3.101 1.00 0.24 O ATOM 0 H GLY A 6 -12.232 -6.666 -4.319 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.769 -7.319 -3.621 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.407 -6.350 -5.035 1.00 0.20 H new ATOM 62 N ALA A 7 -9.183 -4.613 -3.110 1.00 0.15 N ATOM 63 CA ALA A 7 -9.207 -3.381 -2.330 1.00 0.14 C ATOM 64 C ALA A 7 -8.630 -2.226 -3.134 1.00 0.14 C ATOM 65 O ALA A 7 -7.767 -2.430 -3.981 1.00 0.18 O ATOM 66 CB ALA A 7 -8.440 -3.555 -1.028 1.00 0.16 C ATOM 0 H ALA A 7 -8.250 -4.923 -3.381 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.245 -3.151 -2.091 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.470 -2.625 -0.461 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -8.896 -4.353 -0.441 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.404 -3.813 -1.248 1.00 0.16 H new ATOM 72 N TYR A 8 -9.115 -1.022 -2.877 1.00 0.12 N ATOM 73 CA TYR A 8 -8.636 0.164 -3.579 1.00 0.13 C ATOM 74 C TYR A 8 -8.205 1.246 -2.594 1.00 0.12 C ATOM 75 O TYR A 8 -8.911 1.530 -1.628 1.00 0.13 O ATOM 76 CB TYR A 8 -9.722 0.713 -4.518 1.00 0.16 C ATOM 77 CG TYR A 8 -9.666 0.156 -5.935 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.486 0.184 -6.671 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.793 -0.369 -6.548 1.00 0.39 C ATOM 80 CE1 TYR A 8 -8.439 -0.297 -7.969 1.00 0.40 C ATOM 81 CE2 TYR A 8 -10.753 -0.856 -7.840 1.00 0.48 C ATOM 82 CZ TYR A 8 -9.574 -0.817 -8.547 1.00 0.45 C ATOM 83 OH TYR A 8 -9.533 -1.288 -9.839 1.00 0.57 O ATOM 0 H TYR A 8 -9.842 -0.837 -2.186 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.770 -0.128 -4.173 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.700 0.492 -4.092 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.632 1.798 -4.563 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -7.591 0.588 -6.222 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.725 -0.398 -6.002 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -7.514 -0.264 -8.526 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.644 -1.266 -8.293 1.00 0.48 H new ATOM 0 HH TYR A 8 -10.419 -1.622 -10.094 1.00 0.57 H new ATOM 93 N LEU A 9 -7.032 1.820 -2.839 1.00 0.12 N ATOM 94 CA LEU A 9 -6.530 2.940 -2.050 1.00 0.12 C ATOM 95 C LEU A 9 -7.023 4.225 -2.685 1.00 0.11 C ATOM 96 O LEU A 9 -6.711 4.510 -3.832 1.00 0.13 O ATOM 97 CB LEU A 9 -4.994 2.922 -2.013 1.00 0.12 C ATOM 98 CG LEU A 9 -4.296 3.858 -1.002 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.506 5.325 -1.329 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.745 3.565 0.418 1.00 0.12 C ATOM 0 H LEU A 9 -6.405 1.524 -3.587 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.892 2.865 -1.025 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.674 1.901 -1.803 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.630 3.172 -3.010 1.00 0.12 H new ATOM 0 HG LEU A 9 -3.228 3.656 -1.081 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.995 5.940 -0.588 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -4.102 5.539 -2.319 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.572 5.552 -1.316 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.237 4.240 1.107 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.822 3.711 0.496 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.499 2.534 0.672 1.00 0.12 H new ATOM 112 N VAL A 10 -7.780 4.994 -1.942 1.00 0.12 N ATOM 113 CA VAL A 10 -8.386 6.199 -2.477 1.00 0.14 C ATOM 114 C VAL A 10 -7.894 7.423 -1.722 1.00 0.16 C ATOM 115 O VAL A 10 -7.634 7.355 -0.522 1.00 0.14 O ATOM 116 CB VAL A 10 -9.929 6.153 -2.397 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.540 6.723 -3.668 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.436 4.739 -2.130 1.00 0.16 C ATOM 0 H VAL A 10 -7.995 4.811 -0.962 1.00 0.12 H new ATOM 0 HA VAL A 10 -8.093 6.262 -3.525 1.00 0.14 H new ATOM 0 HB VAL A 10 -10.241 6.770 -1.555 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.627 6.684 -3.598 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -10.221 7.758 -3.793 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -10.211 6.136 -4.525 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.525 4.746 -2.080 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -10.114 4.079 -2.935 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -10.032 4.380 -1.183 1.00 0.16 H new ATOM 128 N PHE A 11 -7.747 8.528 -2.432 1.00 0.23 N ATOM 129 CA PHE A 11 -7.413 9.795 -1.806 1.00 0.27 C ATOM 130 C PHE A 11 -8.680 10.605 -1.584 1.00 0.33 C ATOM 131 O PHE A 11 -9.501 10.755 -2.489 1.00 0.42 O ATOM 132 CB PHE A 11 -6.424 10.581 -2.673 1.00 0.35 C ATOM 133 CG PHE A 11 -6.178 11.994 -2.208 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.493 12.249 -1.028 1.00 0.66 C ATOM 135 CD2 PHE A 11 -6.628 13.067 -2.961 1.00 0.72 C ATOM 136 CE1 PHE A 11 -5.266 13.545 -0.611 1.00 0.85 C ATOM 137 CE2 PHE A 11 -6.405 14.366 -2.546 1.00 0.90 C ATOM 138 CZ PHE A 11 -5.723 14.605 -1.370 1.00 0.90 C ATOM 0 H PHE A 11 -7.854 8.573 -3.445 1.00 0.23 H new ATOM 0 HA PHE A 11 -6.940 9.599 -0.844 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.474 10.047 -2.694 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -6.798 10.608 -3.697 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -5.134 11.425 -0.430 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -7.160 12.886 -3.883 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.731 13.730 0.309 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -6.764 15.193 -3.141 1.00 0.90 H new ATOM 0 HZ PHE A 11 -5.547 15.619 -1.044 1.00 0.90 H new ATOM 148 N ASP A 12 -8.842 11.111 -0.377 1.00 0.32 N ATOM 149 CA ASP A 12 -10.006 11.908 -0.041 1.00 0.39 C ATOM 150 C ASP A 12 -9.562 13.288 0.415 1.00 0.41 C ATOM 151 O ASP A 12 -8.467 13.450 0.956 1.00 0.36 O ATOM 152 CB ASP A 12 -10.823 11.227 1.058 1.00 0.42 C ATOM 153 CG ASP A 12 -12.224 11.793 1.178 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.178 11.120 0.730 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.385 12.907 1.717 1.00 0.61 O ATOM 0 H ASP A 12 -8.181 10.984 0.389 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.636 12.006 -0.925 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -10.883 10.158 0.852 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.307 11.339 2.012 1.00 0.42 H new ATOM 160 N ASN A 13 -10.410 14.279 0.192 1.00 0.52 N ATOM 161 CA ASN A 13 -10.072 15.661 0.500 1.00 0.56 C ATOM 162 C ASN A 13 -10.352 15.992 1.961 1.00 0.57 C ATOM 163 O ASN A 13 -10.109 17.118 2.398 1.00 0.65 O ATOM 164 CB ASN A 13 -10.847 16.623 -0.408 1.00 0.71 C ATOM 165 CG ASN A 13 -12.347 16.567 -0.182 1.00 1.50 C ATOM 166 OD1 ASN A 13 -12.883 17.271 0.673 1.00 2.37 O ATOM 167 ND2 ASN A 13 -13.035 15.741 -0.957 1.00 2.16 N ATOM 0 H ASN A 13 -11.342 14.152 -0.203 1.00 0.52 H new ATOM 0 HA ASN A 13 -9.004 15.782 0.320 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -10.496 17.640 -0.235 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -10.632 16.384 -1.450 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -14.048 15.672 -0.856 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -12.552 15.174 -1.654 1.00 2.16 H new ATOM 174 N ALA A 14 -10.876 15.025 2.709 1.00 0.55 N ATOM 175 CA ALA A 14 -11.077 15.196 4.144 1.00 0.59 C ATOM 176 C ALA A 14 -9.754 15.528 4.818 1.00 0.66 C ATOM 177 O ALA A 14 -8.739 14.884 4.544 1.00 1.31 O ATOM 178 CB ALA A 14 -11.678 13.940 4.753 1.00 0.60 C ATOM 0 H ALA A 14 -11.168 14.118 2.346 1.00 0.55 H new ATOM 0 HA ALA A 14 -11.772 16.020 4.303 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -11.820 14.087 5.824 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.640 13.733 4.284 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -11.005 13.098 4.589 1.00 0.60 H new ATOM 184 N SER A 15 -9.758 16.557 5.664 1.00 0.60 N ATOM 185 CA SER A 15 -8.543 17.010 6.339 1.00 0.54 C ATOM 186 C SER A 15 -7.482 17.410 5.312 1.00 0.52 C ATOM 187 O SER A 15 -6.279 17.341 5.576 1.00 0.53 O ATOM 188 CB SER A 15 -8.016 15.911 7.269 1.00 0.53 C ATOM 189 OG SER A 15 -8.974 15.587 8.265 1.00 1.23 O ATOM 0 H SER A 15 -10.593 17.094 5.899 1.00 0.60 H new ATOM 0 HA SER A 15 -8.779 17.887 6.942 1.00 0.54 H new ATOM 0 HB2 SER A 15 -7.776 15.021 6.687 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.091 16.242 7.742 1.00 0.53 H new ATOM 0 HG SER A 15 -9.451 14.770 8.007 1.00 1.23 H new ATOM 195 N ASN A 16 -7.959 17.812 4.131 1.00 0.53 N ATOM 196 CA ASN A 16 -7.105 18.206 3.012 1.00 0.57 C ATOM 197 C ASN A 16 -6.170 17.073 2.599 1.00 0.52 C ATOM 198 O ASN A 16 -5.126 17.305 1.991 1.00 0.68 O ATOM 199 CB ASN A 16 -6.307 19.466 3.352 1.00 0.66 C ATOM 200 CG ASN A 16 -7.201 20.670 3.577 1.00 0.76 C ATOM 201 OD1 ASN A 16 -8.267 20.792 2.973 1.00 1.08 O ATOM 202 ND2 ASN A 16 -6.774 21.564 4.454 1.00 1.30 N ATOM 0 H ASN A 16 -8.956 17.873 3.925 1.00 0.53 H new ATOM 0 HA ASN A 16 -7.755 18.428 2.165 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -5.712 19.286 4.247 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -5.609 19.681 2.543 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -7.335 22.393 4.651 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -5.884 21.424 4.933 1.00 1.30 H new ATOM 209 N GLY A 17 -6.552 15.846 2.930 1.00 0.39 N ATOM 210 CA GLY A 17 -5.758 14.700 2.557 1.00 0.34 C ATOM 211 C GLY A 17 -6.000 13.514 3.462 1.00 0.28 C ATOM 212 O GLY A 17 -5.543 13.498 4.601 1.00 0.29 O ATOM 0 H GLY A 17 -7.401 15.628 3.452 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -5.987 14.422 1.528 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -4.702 14.967 2.587 1.00 0.34 H new ATOM 216 N THR A 18 -6.736 12.538 2.964 1.00 0.27 N ATOM 217 CA THR A 18 -6.966 11.298 3.689 1.00 0.24 C ATOM 218 C THR A 18 -6.861 10.108 2.742 1.00 0.18 C ATOM 219 O THR A 18 -7.143 10.234 1.550 1.00 0.19 O ATOM 220 CB THR A 18 -8.358 11.286 4.368 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.481 12.394 5.270 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.582 9.991 5.134 1.00 0.33 C ATOM 0 H THR A 18 -7.190 12.579 2.051 1.00 0.27 H new ATOM 0 HA THR A 18 -6.202 11.225 4.463 1.00 0.24 H new ATOM 0 HB THR A 18 -9.110 11.366 3.583 1.00 0.30 H new ATOM 0 HG1 THR A 18 -8.580 13.224 4.758 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.567 10.010 5.601 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.522 9.147 4.447 1.00 0.33 H new ATOM 0 HG23 THR A 18 -7.818 9.887 5.904 1.00 0.33 H new ATOM 230 N LEU A 19 -6.443 8.967 3.268 1.00 0.15 N ATOM 231 CA LEU A 19 -6.417 7.743 2.492 1.00 0.13 C ATOM 232 C LEU A 19 -7.571 6.853 2.884 1.00 0.14 C ATOM 233 O LEU A 19 -7.990 6.826 4.040 1.00 0.21 O ATOM 234 CB LEU A 19 -5.120 6.973 2.689 1.00 0.14 C ATOM 235 CG LEU A 19 -3.864 7.674 2.202 1.00 0.24 C ATOM 236 CD1 LEU A 19 -2.728 6.672 2.129 1.00 0.54 C ATOM 237 CD2 LEU A 19 -4.116 8.331 0.849 1.00 0.58 C ATOM 0 H LEU A 19 -6.118 8.866 4.229 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.496 8.028 1.443 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -5.005 6.755 3.751 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -5.204 6.016 2.174 1.00 0.14 H new ATOM 0 HG LEU A 19 -3.587 8.462 2.902 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -1.824 7.171 1.780 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -2.550 6.251 3.118 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -2.992 5.873 1.436 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -3.207 8.830 0.512 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -4.403 7.570 0.123 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -4.918 9.063 0.944 1.00 0.58 H new ATOM 249 N PHE A 20 -8.062 6.119 1.918 1.00 0.13 N ATOM 250 CA PHE A 20 -9.224 5.282 2.100 1.00 0.14 C ATOM 251 C PHE A 20 -8.994 3.938 1.428 1.00 0.13 C ATOM 252 O PHE A 20 -8.588 3.876 0.277 1.00 0.12 O ATOM 253 CB PHE A 20 -10.443 6.050 1.532 1.00 0.15 C ATOM 254 CG PHE A 20 -11.696 5.264 1.235 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.963 4.070 1.860 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.614 5.749 0.316 1.00 0.17 C ATOM 257 CE1 PHE A 20 -13.114 3.363 1.581 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.769 5.049 0.029 1.00 0.19 C ATOM 259 CZ PHE A 20 -14.019 3.852 0.663 1.00 0.19 C ATOM 0 H PHE A 20 -7.666 6.084 0.978 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.414 5.067 3.151 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.702 6.837 2.240 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -10.130 6.541 0.610 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -11.261 3.679 2.581 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.423 6.688 -0.182 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -13.306 2.426 2.082 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.474 5.439 -0.690 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.920 3.299 0.442 1.00 0.19 H new ATOM 269 N ILE A 21 -9.207 2.869 2.175 1.00 0.15 N ATOM 270 CA ILE A 21 -9.140 1.533 1.617 1.00 0.16 C ATOM 271 C ILE A 21 -10.537 0.952 1.519 1.00 0.18 C ATOM 272 O ILE A 21 -11.221 0.740 2.524 1.00 0.23 O ATOM 273 CB ILE A 21 -8.230 0.587 2.429 1.00 0.20 C ATOM 274 CG1 ILE A 21 -8.320 -0.831 1.856 1.00 0.24 C ATOM 275 CG2 ILE A 21 -8.595 0.602 3.909 1.00 0.24 C ATOM 276 CD1 ILE A 21 -7.477 -1.841 2.592 1.00 0.28 C ATOM 0 H ILE A 21 -9.428 2.902 3.170 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.697 1.620 0.625 1.00 0.16 H new ATOM 0 HB ILE A 21 -7.201 0.938 2.347 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -9.360 -1.156 1.877 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -8.014 -0.810 0.810 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -7.936 -0.074 4.453 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -8.482 1.613 4.301 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -9.629 0.278 4.032 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -7.594 -2.820 2.127 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -6.430 -1.541 2.549 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -7.797 -1.893 3.633 1.00 0.28 H new ATOM 288 N VAL A 22 -10.971 0.738 0.300 1.00 0.16 N ATOM 289 CA VAL A 22 -12.297 0.225 0.059 1.00 0.18 C ATOM 290 C VAL A 22 -12.272 -1.292 -0.095 1.00 0.18 C ATOM 291 O VAL A 22 -11.591 -1.839 -0.970 1.00 0.22 O ATOM 292 CB VAL A 22 -12.928 0.883 -1.189 1.00 0.21 C ATOM 293 CG1 VAL A 22 -12.122 0.579 -2.421 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.381 0.457 -1.353 1.00 0.24 C ATOM 0 H VAL A 22 -10.423 0.912 -0.542 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.912 0.474 0.924 1.00 0.18 H new ATOM 0 HB VAL A 22 -12.917 1.964 -1.046 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.586 1.053 -3.286 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -11.109 0.963 -2.297 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -12.085 -0.499 -2.575 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.802 0.934 -2.238 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.432 -0.626 -1.465 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -14.950 0.758 -0.473 1.00 0.24 H new ATOM 304 N TRP A 23 -12.981 -1.973 0.783 1.00 0.19 N ATOM 305 CA TRP A 23 -13.174 -3.401 0.643 1.00 0.21 C ATOM 306 C TRP A 23 -14.508 -3.654 -0.031 1.00 0.24 C ATOM 307 O TRP A 23 -15.571 -3.473 0.564 1.00 0.27 O ATOM 308 CB TRP A 23 -13.095 -4.113 1.995 1.00 0.23 C ATOM 309 CG TRP A 23 -11.685 -4.365 2.434 1.00 0.23 C ATOM 310 CD1 TRP A 23 -11.066 -3.874 3.547 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.710 -5.161 1.749 1.00 0.21 C ATOM 312 NE1 TRP A 23 -9.768 -4.325 3.600 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.526 -5.112 2.505 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.726 -5.911 0.568 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.369 -5.784 2.118 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.575 -6.575 0.184 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.410 -6.506 0.959 1.00 0.27 C ATOM 0 H TRP A 23 -13.432 -1.561 1.600 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.373 -3.809 0.026 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.604 -3.511 2.748 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.627 -5.062 1.933 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.528 -3.227 4.278 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -9.095 -4.109 4.335 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.621 -5.970 -0.033 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.470 -5.736 2.714 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.574 -7.155 -0.727 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.526 -7.034 0.634 1.00 0.27 H new ATOM 328 N LYS A 24 -14.447 -4.056 -1.286 1.00 0.25 N ATOM 329 CA LYS A 24 -15.639 -4.185 -2.094 1.00 0.28 C ATOM 330 C LYS A 24 -15.515 -5.356 -3.058 1.00 0.33 C ATOM 331 O LYS A 24 -14.454 -5.970 -3.191 1.00 0.39 O ATOM 332 CB LYS A 24 -15.886 -2.912 -2.906 1.00 0.29 C ATOM 333 CG LYS A 24 -14.983 -2.798 -4.104 1.00 0.35 C ATOM 334 CD LYS A 24 -13.635 -2.236 -3.726 1.00 0.61 C ATOM 335 CE LYS A 24 -12.673 -2.245 -4.895 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.309 -3.622 -5.315 1.00 1.36 N ATOM 0 H LYS A 24 -13.581 -4.299 -1.767 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.474 -4.355 -1.415 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -16.924 -2.894 -3.237 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.741 -2.043 -2.264 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -14.855 -3.780 -4.560 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.449 -2.158 -4.853 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.756 -1.215 -3.363 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -13.216 -2.819 -2.906 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -13.122 -1.718 -5.737 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -11.769 -1.700 -4.623 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -11.341 -3.624 -5.696 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -12.360 -4.260 -4.495 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -12.971 -3.948 -6.048 1.00 1.36 H new ATOM 350 N LYS A 25 -16.609 -5.624 -3.749 1.00 0.36 N ATOM 351 CA LYS A 25 -16.674 -6.690 -4.742 1.00 0.42 C ATOM 352 C LYS A 25 -16.873 -6.068 -6.113 1.00 0.45 C ATOM 353 O LYS A 25 -17.155 -6.750 -7.100 1.00 0.56 O ATOM 354 CB LYS A 25 -17.832 -7.648 -4.440 1.00 0.49 C ATOM 355 CG LYS A 25 -17.560 -8.649 -3.328 1.00 0.67 C ATOM 356 CD LYS A 25 -17.323 -8.002 -1.994 1.00 0.70 C ATOM 357 CE LYS A 25 -17.706 -8.960 -0.885 1.00 0.94 C ATOM 358 NZ LYS A 25 -17.011 -10.273 -0.992 1.00 1.94 N ATOM 0 H LYS A 25 -17.482 -5.108 -3.639 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.745 -7.259 -4.715 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.711 -7.060 -4.174 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -18.078 -8.195 -5.350 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -18.406 -9.332 -3.248 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -16.690 -9.249 -3.593 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -16.275 -7.720 -1.897 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -17.908 -7.086 -1.914 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -17.471 -8.507 0.078 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -18.784 -9.122 -0.906 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -17.118 -10.796 -0.100 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -17.428 -10.824 -1.769 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -16.001 -10.116 -1.182 1.00 1.94 H new ATOM 372 N GLU A 26 -16.711 -4.760 -6.144 1.00 0.40 N ATOM 373 CA GLU A 26 -16.970 -3.965 -7.337 1.00 0.45 C ATOM 374 C GLU A 26 -15.759 -3.104 -7.677 1.00 0.41 C ATOM 375 O GLU A 26 -14.751 -3.129 -6.974 1.00 0.42 O ATOM 376 CB GLU A 26 -18.192 -3.067 -7.120 1.00 0.49 C ATOM 377 CG GLU A 26 -18.016 -2.062 -5.991 1.00 1.23 C ATOM 378 CD GLU A 26 -19.132 -1.043 -5.943 1.00 1.20 C ATOM 379 OE1 GLU A 26 -19.107 -0.096 -6.754 1.00 1.45 O ATOM 380 OE2 GLU A 26 -20.039 -1.181 -5.100 1.00 1.19 O ATOM 0 H GLU A 26 -16.395 -4.213 -5.343 1.00 0.40 H new ATOM 0 HA GLU A 26 -17.166 -4.645 -8.166 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -18.406 -2.529 -8.044 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -19.059 -3.692 -6.907 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -17.972 -2.593 -5.040 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -17.063 -1.547 -6.113 1.00 1.23 H new ATOM 387 N LYS A 27 -15.849 -2.366 -8.765 1.00 0.48 N ATOM 388 CA LYS A 27 -14.789 -1.454 -9.156 1.00 0.49 C ATOM 389 C LYS A 27 -15.021 -0.065 -8.571 1.00 0.47 C ATOM 390 O LYS A 27 -16.113 0.492 -8.682 1.00 0.68 O ATOM 391 CB LYS A 27 -14.710 -1.364 -10.681 1.00 0.64 C ATOM 392 CG LYS A 27 -13.730 -0.312 -11.187 1.00 1.53 C ATOM 393 CD LYS A 27 -14.345 0.557 -12.279 1.00 1.71 C ATOM 394 CE LYS A 27 -15.501 1.397 -11.746 1.00 1.60 C ATOM 395 NZ LYS A 27 -16.084 2.279 -12.792 1.00 2.35 N ATOM 0 H LYS A 27 -16.649 -2.379 -9.398 1.00 0.48 H new ATOM 0 HA LYS A 27 -13.848 -1.841 -8.766 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -14.421 -2.337 -11.078 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -15.702 -1.141 -11.074 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -13.413 0.319 -10.356 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -12.837 -0.803 -11.573 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -13.581 1.213 -12.696 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -14.700 -0.077 -13.092 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -16.276 0.738 -11.355 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -15.151 2.007 -10.913 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -16.947 2.729 -12.425 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -15.394 3.013 -13.051 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -16.319 1.713 -13.632 1.00 2.35 H new ATOM 409 N VAL A 28 -13.995 0.482 -7.934 1.00 0.43 N ATOM 410 CA VAL A 28 -14.011 1.875 -7.522 1.00 0.42 C ATOM 411 C VAL A 28 -12.883 2.601 -8.249 1.00 0.40 C ATOM 412 O VAL A 28 -11.805 2.036 -8.451 1.00 0.51 O ATOM 413 CB VAL A 28 -13.895 2.060 -5.985 1.00 0.52 C ATOM 414 CG1 VAL A 28 -14.357 0.815 -5.244 1.00 1.16 C ATOM 415 CG2 VAL A 28 -12.490 2.435 -5.581 1.00 1.07 C ATOM 0 H VAL A 28 -13.141 -0.020 -7.692 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.977 2.301 -7.791 1.00 0.42 H new ATOM 0 HB VAL A 28 -14.554 2.882 -5.705 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -14.264 0.975 -4.170 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -15.399 0.610 -5.491 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -13.740 -0.034 -5.539 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -12.443 2.557 -4.499 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -11.801 1.648 -5.888 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -12.210 3.371 -6.064 1.00 1.07 H new ATOM 425 N GLU A 29 -13.141 3.813 -8.701 1.00 0.37 N ATOM 426 CA GLU A 29 -12.134 4.565 -9.432 1.00 0.37 C ATOM 427 C GLU A 29 -11.515 5.656 -8.570 1.00 0.32 C ATOM 428 O GLU A 29 -11.829 5.770 -7.384 1.00 0.33 O ATOM 429 CB GLU A 29 -12.731 5.162 -10.705 1.00 0.45 C ATOM 430 CG GLU A 29 -13.016 4.125 -11.777 1.00 0.74 C ATOM 431 CD GLU A 29 -13.571 4.734 -13.043 1.00 1.33 C ATOM 432 OE1 GLU A 29 -12.802 5.381 -13.783 1.00 1.80 O ATOM 433 OE2 GLU A 29 -14.779 4.560 -13.307 1.00 1.98 O ATOM 0 H GLU A 29 -14.031 4.297 -8.578 1.00 0.37 H new ATOM 0 HA GLU A 29 -11.340 3.872 -9.709 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -13.657 5.681 -10.456 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -12.045 5.909 -11.105 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -12.097 3.587 -12.010 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -13.725 3.393 -11.390 1.00 0.74 H new ATOM 440 N ASN A 30 -10.621 6.433 -9.179 1.00 0.33 N ATOM 441 CA ASN A 30 -9.886 7.499 -8.492 1.00 0.34 C ATOM 442 C ASN A 30 -8.992 6.906 -7.404 1.00 0.27 C ATOM 443 O ASN A 30 -8.649 7.561 -6.418 1.00 0.31 O ATOM 444 CB ASN A 30 -10.840 8.548 -7.898 1.00 0.40 C ATOM 445 CG ASN A 30 -10.118 9.809 -7.457 1.00 1.17 C ATOM 446 OD1 ASN A 30 -9.082 10.175 -8.017 1.00 1.67 O ATOM 447 ND2 ASN A 30 -10.657 10.485 -6.454 1.00 2.06 N ATOM 0 H ASN A 30 -10.384 6.342 -10.167 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.259 8.004 -9.227 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -11.596 8.807 -8.639 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -11.364 8.116 -7.045 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -10.214 11.341 -6.119 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -11.515 10.150 -6.016 1.00 2.06 H new ATOM 454 N ALA A 31 -8.601 5.660 -7.602 1.00 0.21 N ATOM 455 CA ALA A 31 -7.759 4.971 -6.650 1.00 0.18 C ATOM 456 C ALA A 31 -6.292 5.144 -7.016 1.00 0.17 C ATOM 457 O ALA A 31 -5.940 5.262 -8.191 1.00 0.20 O ATOM 458 CB ALA A 31 -8.126 3.500 -6.591 1.00 0.17 C ATOM 0 H ALA A 31 -8.856 5.105 -8.419 1.00 0.21 H new ATOM 0 HA ALA A 31 -7.919 5.406 -5.663 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.484 2.993 -5.870 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.167 3.397 -6.285 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -7.991 3.052 -7.575 1.00 0.17 H new ATOM 464 N LEU A 32 -5.453 5.192 -5.997 1.00 0.17 N ATOM 465 CA LEU A 32 -4.021 5.373 -6.169 1.00 0.18 C ATOM 466 C LEU A 32 -3.330 4.019 -6.122 1.00 0.17 C ATOM 467 O LEU A 32 -2.269 3.829 -6.703 1.00 0.19 O ATOM 468 CB LEU A 32 -3.442 6.272 -5.060 1.00 0.22 C ATOM 469 CG LEU A 32 -3.796 7.768 -5.093 1.00 0.29 C ATOM 470 CD1 LEU A 32 -5.204 8.016 -5.594 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.613 8.380 -3.714 1.00 0.28 C ATOM 0 H LEU A 32 -5.745 5.106 -5.024 1.00 0.17 H new ATOM 0 HA LEU A 32 -3.849 5.851 -7.133 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.768 5.872 -4.100 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.356 6.184 -5.090 1.00 0.22 H new ATOM 0 HG LEU A 32 -3.115 8.246 -5.797 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -5.405 9.087 -5.598 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -5.304 7.624 -6.606 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -5.917 7.516 -4.939 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -3.867 9.440 -3.750 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.265 7.874 -3.002 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.576 8.266 -3.400 1.00 0.28 H new ATOM 483 N MET A 33 -3.939 3.081 -5.403 1.00 0.15 N ATOM 484 CA MET A 33 -3.380 1.742 -5.252 1.00 0.14 C ATOM 485 C MET A 33 -4.481 0.690 -5.182 1.00 0.12 C ATOM 486 O MET A 33 -5.659 1.026 -5.058 1.00 0.12 O ATOM 487 CB MET A 33 -2.519 1.657 -4.003 1.00 0.14 C ATOM 488 CG MET A 33 -1.268 2.508 -4.045 1.00 0.17 C ATOM 489 SD MET A 33 -0.350 2.411 -2.509 1.00 0.17 S ATOM 490 CE MET A 33 -0.081 0.645 -2.417 1.00 0.20 C ATOM 0 H MET A 33 -4.823 3.224 -4.914 1.00 0.15 H new ATOM 0 HA MET A 33 -2.762 1.545 -6.128 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.118 1.956 -3.143 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.231 0.618 -3.845 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.634 2.182 -4.869 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.540 3.545 -4.242 1.00 0.17 H new ATOM 0 HE1 MET A 33 0.584 0.421 -1.583 1.00 0.20 H new ATOM 0 HE2 MET A 33 -1.035 0.139 -2.266 1.00 0.20 H new ATOM 0 HE3 MET A 33 0.371 0.297 -3.346 1.00 0.20 H new ATOM 500 N PHE A 34 -4.091 -0.580 -5.255 1.00 0.12 N ATOM 501 CA PHE A 34 -5.047 -1.679 -5.325 1.00 0.12 C ATOM 502 C PHE A 34 -4.479 -2.941 -4.664 1.00 0.11 C ATOM 503 O PHE A 34 -3.265 -3.115 -4.582 1.00 0.12 O ATOM 504 CB PHE A 34 -5.399 -1.939 -6.797 1.00 0.13 C ATOM 505 CG PHE A 34 -6.212 -3.180 -7.051 1.00 0.15 C ATOM 506 CD1 PHE A 34 -5.590 -4.343 -7.454 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.588 -3.179 -6.901 1.00 0.19 C ATOM 508 CE1 PHE A 34 -6.319 -5.483 -7.705 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.328 -4.319 -7.148 1.00 0.23 C ATOM 510 CZ PHE A 34 -7.691 -5.473 -7.551 1.00 0.23 C ATOM 0 H PHE A 34 -3.114 -0.873 -5.267 1.00 0.12 H new ATOM 0 HA PHE A 34 -5.952 -1.408 -4.781 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -5.948 -1.079 -7.180 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.474 -2.007 -7.369 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -4.517 -4.359 -7.574 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -8.089 -2.276 -6.587 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -5.818 -6.385 -8.022 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.401 -4.306 -7.026 1.00 0.23 H new ATOM 0 HZ PHE A 34 -8.264 -6.368 -7.746 1.00 0.23 H new ATOM 520 N ILE A 35 -5.371 -3.804 -4.188 1.00 0.11 N ATOM 521 CA ILE A 35 -4.995 -5.078 -3.576 1.00 0.12 C ATOM 522 C ILE A 35 -5.754 -6.211 -4.249 1.00 0.12 C ATOM 523 O ILE A 35 -6.970 -6.117 -4.434 1.00 0.16 O ATOM 524 CB ILE A 35 -5.325 -5.140 -2.062 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.513 -4.118 -1.259 1.00 0.13 C ATOM 526 CG2 ILE A 35 -5.081 -6.547 -1.529 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.853 -4.097 0.224 1.00 0.14 C ATOM 0 H ILE A 35 -6.378 -3.641 -4.215 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.917 -5.174 -3.704 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.379 -4.888 -1.942 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.452 -4.337 -1.376 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.681 -3.125 -1.676 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.316 -6.579 -0.465 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.717 -7.254 -2.062 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -4.035 -6.816 -1.678 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -4.239 -3.350 0.727 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.906 -3.848 0.352 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.657 -5.078 0.656 1.00 0.14 H new ATOM 539 N LYS A 36 -5.055 -7.278 -4.599 1.00 0.13 N ATOM 540 CA LYS A 36 -5.710 -8.452 -5.149 1.00 0.15 C ATOM 541 C LYS A 36 -5.555 -9.630 -4.197 1.00 0.16 C ATOM 542 O LYS A 36 -4.461 -10.151 -4.034 1.00 0.22 O ATOM 543 CB LYS A 36 -5.091 -8.813 -6.503 1.00 0.25 C ATOM 544 CG LYS A 36 -5.708 -10.045 -7.151 1.00 0.64 C ATOM 545 CD LYS A 36 -7.142 -9.797 -7.591 1.00 0.70 C ATOM 546 CE LYS A 36 -7.201 -8.833 -8.762 1.00 1.57 C ATOM 547 NZ LYS A 36 -8.600 -8.505 -9.140 1.00 2.38 N ATOM 0 H LYS A 36 -4.042 -7.355 -4.513 1.00 0.13 H new ATOM 0 HA LYS A 36 -6.769 -8.229 -5.282 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -5.200 -7.965 -7.179 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -4.022 -8.980 -6.370 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -5.110 -10.340 -8.013 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -5.683 -10.876 -6.447 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -7.607 -10.742 -7.871 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -7.716 -9.394 -6.757 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -6.670 -7.916 -8.505 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -6.687 -9.270 -9.618 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -8.604 -7.679 -9.771 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -9.027 -9.317 -9.630 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -9.150 -8.289 -8.284 1.00 2.38 H new ATOM 561 N PRO A 37 -6.640 -10.077 -3.561 1.00 0.17 N ATOM 562 CA PRO A 37 -6.611 -11.270 -2.721 1.00 0.21 C ATOM 563 C PRO A 37 -6.564 -12.546 -3.548 1.00 0.27 C ATOM 564 O PRO A 37 -7.379 -12.745 -4.450 1.00 0.35 O ATOM 565 CB PRO A 37 -7.925 -11.195 -1.930 1.00 0.24 C ATOM 566 CG PRO A 37 -8.463 -9.827 -2.186 1.00 0.23 C ATOM 567 CD PRO A 37 -7.959 -9.440 -3.542 1.00 0.18 C ATOM 0 HA PRO A 37 -5.725 -11.299 -2.087 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.627 -11.961 -2.260 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.753 -11.357 -0.866 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.553 -9.823 -2.158 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -8.122 -9.124 -1.426 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.604 -9.810 -4.339 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -7.893 -8.359 -3.661 1.00 0.18 H new ATOM 575 N THR A 38 -5.596 -13.394 -3.256 1.00 0.31 N ATOM 576 CA THR A 38 -5.504 -14.692 -3.896 1.00 0.38 C ATOM 577 C THR A 38 -6.319 -15.695 -3.105 1.00 0.44 C ATOM 578 O THR A 38 -6.911 -16.624 -3.654 1.00 0.54 O ATOM 579 CB THR A 38 -4.043 -15.151 -3.980 1.00 0.48 C ATOM 580 OG1 THR A 38 -3.472 -15.200 -2.668 1.00 0.86 O ATOM 581 CG2 THR A 38 -3.246 -14.189 -4.835 1.00 0.78 C ATOM 0 H THR A 38 -4.859 -13.206 -2.576 1.00 0.31 H new ATOM 0 HA THR A 38 -5.896 -14.618 -4.910 1.00 0.38 H new ATOM 0 HB THR A 38 -4.013 -16.144 -4.428 1.00 0.48 H new ATOM 0 HG1 THR A 38 -2.902 -15.993 -2.589 1.00 0.86 H new ATOM 0 HG21 THR A 38 -2.210 -14.523 -4.889 1.00 0.78 H new ATOM 0 HG22 THR A 38 -3.670 -14.157 -5.839 1.00 0.78 H new ATOM 0 HG23 THR A 38 -3.284 -13.193 -4.394 1.00 0.78 H new ATOM 589 N LYS A 39 -6.343 -15.477 -1.802 1.00 0.48 N ATOM 590 CA LYS A 39 -7.184 -16.237 -0.902 1.00 0.63 C ATOM 591 C LYS A 39 -8.545 -15.568 -0.828 1.00 0.58 C ATOM 592 O LYS A 39 -8.665 -14.377 -1.128 1.00 0.54 O ATOM 593 CB LYS A 39 -6.548 -16.283 0.486 1.00 0.78 C ATOM 594 CG LYS A 39 -5.124 -16.814 0.488 1.00 0.93 C ATOM 595 CD LYS A 39 -5.066 -18.255 0.012 1.00 1.09 C ATOM 596 CE LYS A 39 -3.653 -18.808 0.067 1.00 1.65 C ATOM 597 NZ LYS A 39 -3.593 -20.219 -0.396 1.00 2.16 N ATOM 0 H LYS A 39 -5.777 -14.765 -1.340 1.00 0.48 H new ATOM 0 HA LYS A 39 -7.294 -17.258 -1.268 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -6.553 -15.280 0.912 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -7.160 -16.908 1.136 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -4.502 -16.192 -0.156 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -4.710 -16.745 1.494 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -5.721 -18.869 0.630 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -5.441 -18.316 -1.010 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -2.998 -18.194 -0.552 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -3.278 -18.745 1.088 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -2.612 -20.560 -0.343 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -4.198 -20.809 0.210 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -3.927 -20.276 -1.379 1.00 2.16 H new ATOM 611 N GLU A 40 -9.567 -16.323 -0.456 1.00 0.66 N ATOM 612 CA GLU A 40 -10.898 -15.756 -0.309 1.00 0.64 C ATOM 613 C GLU A 40 -10.887 -14.736 0.814 1.00 0.57 C ATOM 614 O GLU A 40 -10.392 -15.008 1.911 1.00 0.62 O ATOM 615 CB GLU A 40 -11.933 -16.851 -0.055 1.00 0.76 C ATOM 616 CG GLU A 40 -12.023 -17.855 -1.191 1.00 1.44 C ATOM 617 CD GLU A 40 -13.151 -18.844 -1.017 1.00 1.86 C ATOM 618 OE1 GLU A 40 -14.216 -18.650 -1.640 1.00 2.08 O ATOM 619 OE2 GLU A 40 -12.972 -19.826 -0.265 1.00 2.42 O ATOM 0 H GLU A 40 -9.502 -17.320 -0.252 1.00 0.66 H new ATOM 0 HA GLU A 40 -11.180 -15.256 -1.236 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -11.681 -17.375 0.867 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -12.910 -16.392 0.096 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -12.158 -17.320 -2.131 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -11.080 -18.397 -1.265 1.00 1.44 H new ATOM 626 N VAL A 41 -11.444 -13.571 0.539 1.00 0.53 N ATOM 627 CA VAL A 41 -11.260 -12.419 1.402 1.00 0.49 C ATOM 628 C VAL A 41 -12.185 -12.473 2.607 1.00 0.51 C ATOM 629 O VAL A 41 -13.385 -12.726 2.480 1.00 0.54 O ATOM 630 CB VAL A 41 -11.479 -11.087 0.652 1.00 0.53 C ATOM 631 CG1 VAL A 41 -10.248 -10.206 0.777 1.00 0.73 C ATOM 632 CG2 VAL A 41 -11.828 -11.325 -0.811 1.00 0.69 C ATOM 0 H VAL A 41 -12.029 -13.397 -0.278 1.00 0.53 H new ATOM 0 HA VAL A 41 -10.225 -12.458 1.741 1.00 0.49 H new ATOM 0 HB VAL A 41 -12.324 -10.574 1.111 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -10.415 -9.270 0.244 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -10.057 -9.995 1.829 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -9.388 -10.720 0.348 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -11.976 -10.367 -1.310 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.015 -11.865 -1.296 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -12.744 -11.913 -0.876 1.00 0.69 H new ATOM 642 N PRO A 42 -11.596 -12.252 3.792 1.00 0.55 N ATOM 643 CA PRO A 42 -12.296 -12.283 5.078 1.00 0.62 C ATOM 644 C PRO A 42 -13.601 -11.497 5.065 1.00 0.63 C ATOM 645 O PRO A 42 -13.613 -10.289 4.823 1.00 0.64 O ATOM 646 CB PRO A 42 -11.303 -11.615 6.021 1.00 0.68 C ATOM 647 CG PRO A 42 -9.965 -11.873 5.435 1.00 0.65 C ATOM 648 CD PRO A 42 -10.161 -11.959 3.956 1.00 0.58 C ATOM 0 HA PRO A 42 -12.580 -13.298 5.357 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -11.497 -10.545 6.101 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -11.377 -12.029 7.027 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -9.269 -11.073 5.689 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -9.542 -12.799 5.825 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -9.887 -11.026 3.464 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.543 -12.743 3.518 1.00 0.58 H new ATOM 656 N GLU A 43 -14.691 -12.190 5.362 1.00 0.69 N ATOM 657 CA GLU A 43 -16.011 -11.609 5.356 1.00 0.75 C ATOM 658 C GLU A 43 -16.172 -10.551 6.435 1.00 0.81 C ATOM 659 O GLU A 43 -16.802 -9.517 6.214 1.00 0.83 O ATOM 660 CB GLU A 43 -17.027 -12.706 5.575 1.00 0.85 C ATOM 661 CG GLU A 43 -17.146 -13.673 4.413 1.00 1.21 C ATOM 662 CD GLU A 43 -18.197 -14.733 4.647 1.00 1.68 C ATOM 663 OE1 GLU A 43 -17.942 -15.662 5.443 1.00 2.28 O ATOM 664 OE2 GLU A 43 -19.281 -14.645 4.040 1.00 1.87 O ATOM 0 H GLU A 43 -14.676 -13.178 5.615 1.00 0.69 H new ATOM 0 HA GLU A 43 -16.165 -11.124 4.392 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -16.758 -13.263 6.473 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -18.001 -12.254 5.760 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -17.389 -13.119 3.507 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -16.182 -14.153 4.244 1.00 1.21 H new ATOM 671 N PHE A 44 -15.599 -10.810 7.600 1.00 0.86 N ATOM 672 CA PHE A 44 -15.728 -9.902 8.726 1.00 0.97 C ATOM 673 C PHE A 44 -15.017 -8.590 8.435 1.00 0.96 C ATOM 674 O PHE A 44 -15.374 -7.545 8.969 1.00 1.02 O ATOM 675 CB PHE A 44 -15.207 -10.563 9.995 1.00 1.11 C ATOM 676 CG PHE A 44 -15.223 -9.683 11.214 1.00 1.69 C ATOM 677 CD1 PHE A 44 -14.046 -9.141 11.702 1.00 2.33 C ATOM 678 CD2 PHE A 44 -16.411 -9.391 11.862 1.00 1.86 C ATOM 679 CE1 PHE A 44 -14.053 -8.322 12.815 1.00 3.18 C ATOM 680 CE2 PHE A 44 -16.425 -8.574 12.977 1.00 2.66 C ATOM 681 CZ PHE A 44 -15.259 -8.076 13.479 1.00 3.34 C ATOM 0 H PHE A 44 -15.040 -11.642 7.789 1.00 0.86 H new ATOM 0 HA PHE A 44 -16.782 -9.672 8.882 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -15.805 -11.452 10.197 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -14.185 -10.899 9.820 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -13.112 -9.361 11.207 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -17.337 -9.806 11.492 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -13.135 -7.876 13.169 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -17.363 -8.329 13.453 1.00 2.66 H new ATOM 0 HZ PHE A 44 -15.267 -7.493 14.388 1.00 3.34 H new ATOM 691 N LYS A 45 -14.041 -8.646 7.546 1.00 0.90 N ATOM 692 CA LYS A 45 -13.329 -7.452 7.126 1.00 0.93 C ATOM 693 C LYS A 45 -14.200 -6.581 6.231 1.00 0.89 C ATOM 694 O LYS A 45 -13.943 -5.390 6.075 1.00 0.98 O ATOM 695 CB LYS A 45 -12.028 -7.818 6.422 1.00 0.94 C ATOM 696 CG LYS A 45 -10.866 -7.981 7.384 1.00 1.07 C ATOM 697 CD LYS A 45 -11.082 -9.105 8.375 1.00 1.09 C ATOM 698 CE LYS A 45 -10.012 -9.094 9.454 1.00 1.27 C ATOM 699 NZ LYS A 45 -8.642 -9.265 8.897 1.00 1.94 N ATOM 0 H LYS A 45 -13.723 -9.507 7.100 1.00 0.90 H new ATOM 0 HA LYS A 45 -13.084 -6.877 8.019 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -12.168 -8.746 5.868 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -11.785 -7.045 5.693 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -9.954 -8.172 6.817 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -10.715 -7.048 7.926 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -12.066 -9.006 8.833 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -11.068 -10.062 7.853 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -10.063 -8.154 10.003 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -10.213 -9.892 10.169 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -7.961 -9.370 9.676 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -8.615 -10.114 8.297 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -8.392 -8.431 8.328 1.00 1.94 H new ATOM 713 N PHE A 46 -15.226 -7.181 5.645 1.00 0.79 N ATOM 714 CA PHE A 46 -16.201 -6.435 4.861 1.00 0.78 C ATOM 715 C PHE A 46 -17.310 -5.901 5.759 1.00 0.83 C ATOM 716 O PHE A 46 -17.573 -4.700 5.794 1.00 0.93 O ATOM 717 CB PHE A 46 -16.818 -7.308 3.767 1.00 0.74 C ATOM 718 CG PHE A 46 -15.881 -7.653 2.646 1.00 0.65 C ATOM 719 CD1 PHE A 46 -15.357 -8.926 2.532 1.00 0.72 C ATOM 720 CD2 PHE A 46 -15.536 -6.704 1.699 1.00 0.64 C ATOM 721 CE1 PHE A 46 -14.504 -9.248 1.497 1.00 0.66 C ATOM 722 CE2 PHE A 46 -14.680 -7.020 0.661 1.00 0.58 C ATOM 723 CZ PHE A 46 -14.164 -8.294 0.560 1.00 0.54 C ATOM 0 H PHE A 46 -15.405 -8.184 5.697 1.00 0.79 H new ATOM 0 HA PHE A 46 -15.676 -5.603 4.392 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -17.181 -8.232 4.218 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -17.685 -6.793 3.354 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -15.618 -9.678 3.262 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -15.940 -5.705 1.772 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -14.102 -10.247 1.420 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -14.416 -6.270 -0.070 1.00 0.58 H new ATOM 0 HZ PHE A 46 -13.495 -8.545 -0.250 1.00 0.54 H new ATOM 733 N VAL A 47 -17.929 -6.804 6.510 1.00 0.81 N ATOM 734 CA VAL A 47 -19.113 -6.479 7.293 1.00 0.88 C ATOM 735 C VAL A 47 -18.790 -5.515 8.434 1.00 0.87 C ATOM 736 O VAL A 47 -19.560 -4.593 8.714 1.00 0.92 O ATOM 737 CB VAL A 47 -19.793 -7.762 7.836 1.00 0.97 C ATOM 738 CG1 VAL A 47 -18.829 -8.601 8.662 1.00 0.98 C ATOM 739 CG2 VAL A 47 -21.039 -7.411 8.628 1.00 1.07 C ATOM 0 H VAL A 47 -17.627 -7.775 6.593 1.00 0.81 H new ATOM 0 HA VAL A 47 -19.813 -5.977 6.625 1.00 0.88 H new ATOM 0 HB VAL A 47 -20.093 -8.369 6.982 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -19.341 -9.492 9.026 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -17.982 -8.897 8.043 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -18.472 -8.016 9.510 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -21.502 -8.324 9.001 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -20.768 -6.772 9.469 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -21.743 -6.884 7.984 1.00 1.07 H new ATOM 749 N ASN A 48 -17.635 -5.699 9.061 1.00 0.86 N ATOM 750 CA ASN A 48 -17.246 -4.859 10.186 1.00 0.90 C ATOM 751 C ASN A 48 -16.760 -3.500 9.693 1.00 0.82 C ATOM 752 O ASN A 48 -16.860 -2.495 10.391 1.00 0.91 O ATOM 753 CB ASN A 48 -16.149 -5.540 11.009 1.00 0.96 C ATOM 754 CG ASN A 48 -15.736 -4.752 12.242 1.00 1.07 C ATOM 755 OD1 ASN A 48 -16.685 -4.092 12.885 1.00 1.50 O flip ATOM 756 ND2 ASN A 48 -14.565 -4.757 12.626 1.00 1.66 N flip ATOM 0 H ASN A 48 -16.955 -6.418 8.812 1.00 0.86 H new ATOM 0 HA ASN A 48 -18.120 -4.711 10.821 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -16.497 -6.526 11.318 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -15.275 -5.694 10.377 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -13.860 -5.277 12.105 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -14.301 -4.241 13.465 1.00 1.66 H new ATOM 763 N ARG A 49 -16.244 -3.476 8.474 1.00 0.69 N ATOM 764 CA ARG A 49 -15.682 -2.258 7.912 1.00 0.63 C ATOM 765 C ARG A 49 -16.760 -1.441 7.213 1.00 0.58 C ATOM 766 O ARG A 49 -16.613 -0.236 7.024 1.00 0.57 O ATOM 767 CB ARG A 49 -14.590 -2.605 6.903 1.00 0.59 C ATOM 768 CG ARG A 49 -13.510 -1.558 6.763 1.00 0.92 C ATOM 769 CD ARG A 49 -12.374 -1.831 7.734 1.00 1.01 C ATOM 770 NE ARG A 49 -11.683 -3.081 7.420 1.00 1.28 N ATOM 771 CZ ARG A 49 -10.372 -3.183 7.177 1.00 1.45 C ATOM 772 NH1 ARG A 49 -9.590 -2.110 7.203 1.00 1.66 N ATOM 773 NH2 ARG A 49 -9.846 -4.369 6.904 1.00 2.00 N ATOM 0 H ARG A 49 -16.203 -4.286 7.855 1.00 0.69 H new ATOM 0 HA ARG A 49 -15.260 -1.671 8.728 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -14.128 -3.548 7.196 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -15.051 -2.765 5.929 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -13.130 -1.554 5.741 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -13.928 -0.569 6.952 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -11.663 -1.005 7.704 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -12.767 -1.877 8.750 1.00 1.01 H new ATOM 0 HE ARG A 49 -12.240 -3.935 7.384 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -9.988 -1.194 7.410 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -8.592 -2.202 7.016 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -10.441 -5.197 6.880 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -8.847 -4.453 6.718 1.00 2.00 H new ATOM 787 N ASN A 50 -17.835 -2.129 6.821 1.00 0.60 N ATOM 788 CA ASN A 50 -18.901 -1.553 5.992 1.00 0.63 C ATOM 789 C ASN A 50 -18.356 -1.290 4.589 1.00 0.54 C ATOM 790 O ASN A 50 -18.986 -0.633 3.760 1.00 0.61 O ATOM 791 CB ASN A 50 -19.457 -0.263 6.613 1.00 0.71 C ATOM 792 CG ASN A 50 -20.867 0.062 6.149 1.00 1.46 C ATOM 793 OD1 ASN A 50 -21.844 -0.381 6.754 1.00 2.26 O ATOM 794 ND2 ASN A 50 -20.987 0.840 5.085 1.00 2.05 N ATOM 0 H ASN A 50 -17.993 -3.106 7.070 1.00 0.60 H new ATOM 0 HA ASN A 50 -19.726 -2.263 5.934 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -19.451 -0.358 7.699 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -18.798 0.568 6.362 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -21.913 1.092 4.739 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -20.154 1.187 4.611 1.00 2.05 H new ATOM 801 N GLY A 51 -17.170 -1.831 4.343 1.00 0.46 N ATOM 802 CA GLY A 51 -16.485 -1.652 3.078 1.00 0.41 C ATOM 803 C GLY A 51 -15.749 -0.327 2.993 1.00 0.33 C ATOM 804 O GLY A 51 -14.893 -0.142 2.131 1.00 0.34 O ATOM 0 H GLY A 51 -16.660 -2.404 5.015 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -15.775 -2.467 2.935 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.209 -1.714 2.265 1.00 0.41 H new ATOM 808 N LYS A 52 -16.071 0.588 3.896 1.00 0.29 N ATOM 809 CA LYS A 52 -15.442 1.901 3.916 1.00 0.29 C ATOM 810 C LYS A 52 -14.493 2.031 5.101 1.00 0.30 C ATOM 811 O LYS A 52 -14.884 1.789 6.242 1.00 0.36 O ATOM 812 CB LYS A 52 -16.499 3.004 3.960 1.00 0.34 C ATOM 813 CG LYS A 52 -17.387 3.040 2.729 1.00 1.14 C ATOM 814 CD LYS A 52 -18.265 4.279 2.721 1.00 1.28 C ATOM 815 CE LYS A 52 -17.460 5.543 2.469 1.00 1.67 C ATOM 816 NZ LYS A 52 -18.322 6.751 2.451 1.00 2.43 N ATOM 0 H LYS A 52 -16.767 0.444 4.627 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.863 2.011 2.999 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -17.122 2.865 4.844 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -16.002 3.968 4.069 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -16.769 3.023 1.831 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -18.012 2.148 2.702 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -19.030 4.177 1.952 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -18.783 4.363 3.676 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -16.700 5.650 3.243 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -16.936 5.456 1.517 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -17.737 7.593 2.276 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -19.031 6.660 1.696 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -18.803 6.848 3.368 1.00 2.43 H new ATOM 830 N ASN A 53 -13.252 2.408 4.841 1.00 0.30 N ATOM 831 CA ASN A 53 -12.288 2.584 5.916 1.00 0.34 C ATOM 832 C ASN A 53 -11.282 3.678 5.586 1.00 0.27 C ATOM 833 O ASN A 53 -10.549 3.586 4.600 1.00 0.24 O ATOM 834 CB ASN A 53 -11.550 1.271 6.177 1.00 0.43 C ATOM 835 CG ASN A 53 -10.644 1.321 7.397 1.00 1.14 C ATOM 836 OD1 ASN A 53 -9.605 0.666 7.431 1.00 1.72 O ATOM 837 ND2 ASN A 53 -11.041 2.067 8.416 1.00 2.05 N ATOM 0 H ASN A 53 -12.891 2.596 3.906 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.836 2.882 6.810 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -12.280 0.472 6.308 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -10.954 1.017 5.301 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -10.478 2.111 9.265 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -11.910 2.598 8.352 1.00 2.05 H new ATOM 844 N GLU A 54 -11.251 4.705 6.417 1.00 0.30 N ATOM 845 CA GLU A 54 -10.256 5.753 6.293 1.00 0.28 C ATOM 846 C GLU A 54 -8.993 5.340 7.037 1.00 0.28 C ATOM 847 O GLU A 54 -9.017 5.060 8.237 1.00 0.40 O ATOM 848 CB GLU A 54 -10.794 7.087 6.818 1.00 0.33 C ATOM 849 CG GLU A 54 -11.865 7.693 5.922 1.00 0.35 C ATOM 850 CD GLU A 54 -12.431 8.990 6.470 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.425 8.934 7.226 1.00 1.15 O ATOM 852 OE2 GLU A 54 -11.896 10.069 6.142 1.00 1.47 O ATOM 0 H GLU A 54 -11.907 4.835 7.187 1.00 0.30 H new ATOM 0 HA GLU A 54 -10.017 5.894 5.239 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -11.205 6.938 7.816 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -9.968 7.792 6.915 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -11.443 7.876 4.934 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -12.675 6.974 5.795 1.00 0.35 H new ATOM 859 N LEU A 55 -7.903 5.287 6.294 1.00 0.21 N ATOM 860 CA LEU A 55 -6.629 4.797 6.797 1.00 0.22 C ATOM 861 C LEU A 55 -5.896 5.852 7.595 1.00 0.24 C ATOM 862 O LEU A 55 -5.618 5.678 8.781 1.00 0.32 O ATOM 863 CB LEU A 55 -5.749 4.378 5.625 1.00 0.21 C ATOM 864 CG LEU A 55 -5.939 2.951 5.139 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.226 2.759 3.814 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.406 1.979 6.177 1.00 0.54 C ATOM 0 H LEU A 55 -7.875 5.584 5.319 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.837 3.950 7.451 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.938 5.055 4.792 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.706 4.509 5.912 1.00 0.21 H new ATOM 0 HG LEU A 55 -7.002 2.757 4.993 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.366 1.734 3.471 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.637 3.448 3.076 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -4.162 2.957 3.942 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.545 0.957 5.824 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.344 2.166 6.339 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -5.946 2.115 7.114 1.00 0.54 H new ATOM 878 N ILE A 56 -5.577 6.937 6.927 1.00 0.21 N ATOM 879 CA ILE A 56 -4.730 7.956 7.493 1.00 0.22 C ATOM 880 C ILE A 56 -5.132 9.312 6.926 1.00 0.22 C ATOM 881 O ILE A 56 -5.544 9.398 5.771 1.00 0.22 O ATOM 882 CB ILE A 56 -3.250 7.638 7.183 1.00 0.21 C ATOM 883 CG1 ILE A 56 -2.319 8.531 8.000 1.00 0.23 C ATOM 884 CG2 ILE A 56 -2.974 7.803 5.699 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.873 8.084 7.980 1.00 0.25 C ATOM 0 H ILE A 56 -5.897 7.136 5.979 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.849 7.982 8.576 1.00 0.22 H new ATOM 0 HB ILE A 56 -3.058 6.602 7.461 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -2.380 9.550 7.618 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.668 8.556 9.032 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -1.927 7.576 5.496 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.610 7.122 5.133 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -3.186 8.830 5.401 1.00 0.18 H new ATOM 0 HD11 ILE A 56 -0.273 8.767 8.582 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.798 7.077 8.390 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.506 8.086 6.954 1.00 0.25 H new ATOM 897 N ARG A 57 -5.039 10.360 7.725 1.00 0.26 N ATOM 898 CA ARG A 57 -5.547 11.657 7.304 1.00 0.27 C ATOM 899 C ARG A 57 -4.586 12.782 7.659 1.00 0.29 C ATOM 900 O ARG A 57 -3.583 12.557 8.340 1.00 0.34 O ATOM 901 CB ARG A 57 -6.930 11.904 7.917 1.00 0.37 C ATOM 902 CG ARG A 57 -6.935 12.053 9.429 1.00 0.49 C ATOM 903 CD ARG A 57 -7.138 13.502 9.826 1.00 0.88 C ATOM 904 NE ARG A 57 -7.182 13.682 11.271 1.00 1.34 N ATOM 905 CZ ARG A 57 -7.795 14.699 11.871 1.00 1.83 C ATOM 906 NH1 ARG A 57 -8.446 15.605 11.148 1.00 1.96 N ATOM 907 NH2 ARG A 57 -7.770 14.801 13.191 1.00 2.23 N ATOM 0 H ARG A 57 -4.623 10.342 8.656 1.00 0.26 H new ATOM 0 HA ARG A 57 -5.639 11.646 6.218 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -7.353 12.806 7.475 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -7.586 11.078 7.644 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -7.728 11.439 9.857 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -5.993 11.688 9.838 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -6.330 14.106 9.412 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -8.067 13.869 9.389 1.00 0.88 H new ATOM 0 HE ARG A 57 -6.716 12.989 11.856 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -8.476 15.521 10.132 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -8.916 16.384 11.609 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -7.281 14.100 13.748 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -8.240 15.581 13.651 1.00 2.23 H new ATOM 921 N ASN A 58 -4.907 13.984 7.164 1.00 0.30 N ATOM 922 CA ASN A 58 -4.124 15.196 7.408 1.00 0.33 C ATOM 923 C ASN A 58 -2.836 15.160 6.576 1.00 0.31 C ATOM 924 O ASN A 58 -1.800 15.698 6.956 1.00 0.33 O ATOM 925 CB ASN A 58 -3.859 15.341 8.920 1.00 0.39 C ATOM 926 CG ASN A 58 -3.144 16.621 9.323 1.00 0.46 C ATOM 927 OD1 ASN A 58 -1.923 16.647 9.475 1.00 1.01 O ATOM 928 ND2 ASN A 58 -3.903 17.687 9.520 1.00 1.40 N ATOM 0 H ASN A 58 -5.726 14.141 6.577 1.00 0.30 H new ATOM 0 HA ASN A 58 -4.679 16.079 7.092 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -4.812 15.292 9.448 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -3.266 14.490 9.254 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -3.479 18.569 9.808 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -4.912 17.627 9.384 1.00 1.40 H new ATOM 935 N LEU A 59 -2.939 14.543 5.397 1.00 0.28 N ATOM 936 CA LEU A 59 -1.795 14.361 4.507 1.00 0.27 C ATOM 937 C LEU A 59 -1.257 15.697 3.995 1.00 0.33 C ATOM 938 O LEU A 59 -0.123 15.783 3.533 1.00 0.33 O ATOM 939 CB LEU A 59 -2.183 13.488 3.316 1.00 0.24 C ATOM 940 CG LEU A 59 -2.869 12.167 3.665 1.00 0.20 C ATOM 941 CD1 LEU A 59 -3.131 11.361 2.408 1.00 0.19 C ATOM 942 CD2 LEU A 59 -2.033 11.362 4.640 1.00 0.20 C ATOM 0 H LEU A 59 -3.812 14.159 5.036 1.00 0.28 H new ATOM 0 HA LEU A 59 -1.011 13.873 5.086 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -2.846 14.061 2.668 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.284 13.269 2.740 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.822 12.396 4.142 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.620 10.423 2.672 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.776 11.930 1.739 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -2.186 11.149 1.908 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.544 10.427 4.872 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -1.063 11.144 4.194 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.891 11.935 5.557 1.00 0.20 H new ATOM 954 N GLN A 60 -2.086 16.729 4.046 1.00 0.40 N ATOM 955 CA GLN A 60 -1.669 18.062 3.628 1.00 0.49 C ATOM 956 C GLN A 60 -0.495 18.558 4.465 1.00 0.51 C ATOM 957 O GLN A 60 0.481 19.095 3.938 1.00 0.53 O ATOM 958 CB GLN A 60 -2.808 19.047 3.785 1.00 0.62 C ATOM 959 CG GLN A 60 -2.510 20.414 3.187 1.00 0.81 C ATOM 960 CD GLN A 60 -3.390 21.522 3.738 1.00 1.00 C ATOM 961 OE1 GLN A 60 -3.768 21.421 5.005 1.00 1.76 O flip ATOM 962 NE2 GLN A 60 -3.713 22.475 3.034 1.00 1.27 N flip ATOM 0 H GLN A 60 -3.051 16.671 4.372 1.00 0.40 H new ATOM 0 HA GLN A 60 -1.370 17.993 2.582 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -3.700 18.638 3.311 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -3.035 19.164 4.845 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -1.466 20.664 3.374 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -2.637 20.364 2.106 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -3.404 22.520 2.063 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -4.290 23.222 3.420 1.00 1.27 H new ATOM 971 N SER A 61 -0.604 18.369 5.774 1.00 0.53 N ATOM 972 CA SER A 61 0.359 18.922 6.712 1.00 0.60 C ATOM 973 C SER A 61 1.643 18.099 6.733 1.00 0.48 C ATOM 974 O SER A 61 2.643 18.502 7.333 1.00 0.56 O ATOM 975 CB SER A 61 -0.263 18.994 8.109 1.00 0.79 C ATOM 976 OG SER A 61 0.576 19.686 9.022 1.00 1.59 O ATOM 0 H SER A 61 -1.355 17.834 6.210 1.00 0.53 H new ATOM 0 HA SER A 61 0.621 19.929 6.388 1.00 0.60 H new ATOM 0 HB2 SER A 61 -1.230 19.495 8.052 1.00 0.79 H new ATOM 0 HB3 SER A 61 -0.448 17.985 8.478 1.00 0.79 H new ATOM 0 HG SER A 61 1.515 19.508 8.803 1.00 1.59 H new ATOM 982 N ASP A 62 1.617 16.957 6.063 1.00 0.41 N ATOM 983 CA ASP A 62 2.796 16.100 5.966 1.00 0.41 C ATOM 984 C ASP A 62 2.624 15.050 4.883 1.00 0.36 C ATOM 985 O ASP A 62 1.692 14.245 4.921 1.00 0.33 O ATOM 986 CB ASP A 62 3.091 15.408 7.295 1.00 0.52 C ATOM 987 CG ASP A 62 4.302 14.503 7.198 1.00 1.18 C ATOM 988 OD1 ASP A 62 4.124 13.264 7.156 1.00 1.92 O ATOM 989 OD2 ASP A 62 5.433 15.017 7.175 1.00 1.41 O ATOM 0 H ASP A 62 0.794 16.599 5.577 1.00 0.41 H new ATOM 0 HA ASP A 62 3.636 16.745 5.708 1.00 0.41 H new ATOM 0 HB2 ASP A 62 3.259 16.159 8.067 1.00 0.52 H new ATOM 0 HB3 ASP A 62 2.223 14.824 7.602 1.00 0.52 H new ATOM 994 N LYS A 63 3.543 15.060 3.927 1.00 0.39 N ATOM 995 CA LYS A 63 3.515 14.123 2.816 1.00 0.40 C ATOM 996 C LYS A 63 3.746 12.704 3.282 1.00 0.33 C ATOM 997 O LYS A 63 3.135 11.768 2.774 1.00 0.30 O ATOM 998 CB LYS A 63 4.584 14.467 1.794 1.00 0.52 C ATOM 999 CG LYS A 63 4.269 15.686 0.969 1.00 1.06 C ATOM 1000 CD LYS A 63 5.253 15.827 -0.176 1.00 1.18 C ATOM 1001 CE LYS A 63 4.679 16.657 -1.306 1.00 1.00 C ATOM 1002 NZ LYS A 63 4.438 18.067 -0.905 1.00 1.68 N ATOM 0 H LYS A 63 4.325 15.715 3.901 1.00 0.39 H new ATOM 0 HA LYS A 63 2.526 14.200 2.365 1.00 0.40 H new ATOM 0 HB2 LYS A 63 5.530 14.625 2.312 1.00 0.52 H new ATOM 0 HB3 LYS A 63 4.723 13.616 1.128 1.00 0.52 H new ATOM 0 HG2 LYS A 63 3.255 15.613 0.577 1.00 1.06 H new ATOM 0 HG3 LYS A 63 4.305 16.576 1.598 1.00 1.06 H new ATOM 0 HD2 LYS A 63 6.170 16.290 0.187 1.00 1.18 H new ATOM 0 HD3 LYS A 63 5.521 14.839 -0.550 1.00 1.18 H new ATOM 0 HE2 LYS A 63 5.364 16.635 -2.154 1.00 1.00 H new ATOM 0 HE3 LYS A 63 3.742 16.212 -1.641 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 4.061 18.599 -1.715 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 3.751 18.093 -0.124 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 5.332 18.497 -0.594 1.00 1.68 H new ATOM 1016 N LYS A 64 4.642 12.559 4.244 1.00 0.34 N ATOM 1017 CA LYS A 64 5.084 11.244 4.696 1.00 0.33 C ATOM 1018 C LYS A 64 3.922 10.408 5.222 1.00 0.27 C ATOM 1019 O LYS A 64 3.967 9.177 5.192 1.00 0.27 O ATOM 1020 CB LYS A 64 6.151 11.378 5.781 1.00 0.40 C ATOM 1021 CG LYS A 64 7.395 12.131 5.338 1.00 0.42 C ATOM 1022 CD LYS A 64 8.073 11.458 4.158 1.00 0.38 C ATOM 1023 CE LYS A 64 9.393 12.131 3.828 1.00 0.51 C ATOM 1024 NZ LYS A 64 10.077 11.479 2.684 1.00 1.07 N ATOM 0 H LYS A 64 5.082 13.339 4.732 1.00 0.34 H new ATOM 0 HA LYS A 64 5.509 10.733 3.832 1.00 0.33 H new ATOM 0 HB2 LYS A 64 5.717 11.888 6.641 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.442 10.382 6.115 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.125 13.152 5.068 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.096 12.197 6.170 1.00 0.42 H new ATOM 0 HD2 LYS A 64 8.245 10.406 4.385 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.416 11.493 3.289 1.00 0.38 H new ATOM 0 HE2 LYS A 64 9.217 13.181 3.595 1.00 0.51 H new ATOM 0 HE3 LYS A 64 10.043 12.104 4.703 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 11.043 11.854 2.598 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 10.117 10.452 2.843 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 9.551 11.673 1.808 1.00 1.07 H new ATOM 1038 N LEU A 65 2.897 11.081 5.720 1.00 0.25 N ATOM 1039 CA LEU A 65 1.672 10.421 6.132 1.00 0.21 C ATOM 1040 C LEU A 65 1.088 9.576 4.997 1.00 0.17 C ATOM 1041 O LEU A 65 0.643 8.453 5.227 1.00 0.18 O ATOM 1042 CB LEU A 65 0.655 11.458 6.604 1.00 0.24 C ATOM 1043 CG LEU A 65 1.069 12.260 7.837 1.00 0.28 C ATOM 1044 CD1 LEU A 65 -0.038 13.219 8.247 1.00 0.34 C ATOM 1045 CD2 LEU A 65 1.423 11.329 8.983 1.00 0.31 C ATOM 0 H LEU A 65 2.892 12.093 5.849 1.00 0.25 H new ATOM 0 HA LEU A 65 1.906 9.750 6.958 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.462 12.153 5.786 1.00 0.24 H new ATOM 0 HB3 LEU A 65 -0.285 10.950 6.819 1.00 0.24 H new ATOM 0 HG LEU A 65 1.953 12.846 7.586 1.00 0.28 H new ATOM 0 HD11 LEU A 65 0.275 13.781 9.127 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -0.243 13.910 7.429 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -0.941 12.654 8.480 1.00 0.34 H new ATOM 0 HD21 LEU A 65 1.715 11.917 9.853 1.00 0.31 H new ATOM 0 HD22 LEU A 65 0.558 10.716 9.234 1.00 0.31 H new ATOM 0 HD23 LEU A 65 2.250 10.685 8.686 1.00 0.31 H new ATOM 1057 N PHE A 66 1.101 10.102 3.770 1.00 0.15 N ATOM 1058 CA PHE A 66 0.635 9.335 2.617 1.00 0.13 C ATOM 1059 C PHE A 66 1.508 8.100 2.416 1.00 0.14 C ATOM 1060 O PHE A 66 1.011 7.035 2.059 1.00 0.15 O ATOM 1061 CB PHE A 66 0.630 10.190 1.340 1.00 0.14 C ATOM 1062 CG PHE A 66 0.257 9.421 0.091 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.817 8.552 0.094 1.00 0.13 C ATOM 1064 CD2 PHE A 66 0.985 9.565 -1.078 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -1.160 7.835 -1.038 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.645 8.855 -2.216 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.427 7.989 -2.194 1.00 0.21 C ATOM 0 H PHE A 66 1.425 11.044 3.552 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.390 9.021 2.817 1.00 0.13 H new ATOM 0 HB2 PHE A 66 -0.070 11.016 1.470 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.619 10.628 1.204 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.399 8.430 0.996 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.828 10.239 -1.102 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -2.000 7.156 -1.016 1.00 0.15 H new ATOM 0 HE2 PHE A 66 1.220 8.979 -3.122 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.692 7.433 -3.081 1.00 0.21 H new ATOM 1077 N TYR A 67 2.802 8.244 2.680 1.00 0.16 N ATOM 1078 CA TYR A 67 3.742 7.145 2.493 1.00 0.18 C ATOM 1079 C TYR A 67 3.341 5.983 3.389 1.00 0.16 C ATOM 1080 O TYR A 67 3.136 4.861 2.932 1.00 0.18 O ATOM 1081 CB TYR A 67 5.182 7.548 2.845 1.00 0.22 C ATOM 1082 CG TYR A 67 5.780 8.678 2.034 1.00 0.26 C ATOM 1083 CD1 TYR A 67 5.021 9.762 1.635 1.00 0.25 C ATOM 1084 CD2 TYR A 67 7.129 8.674 1.713 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.579 10.813 0.940 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.696 9.716 1.009 1.00 0.37 C ATOM 1087 CZ TYR A 67 6.917 10.787 0.627 1.00 0.35 C ATOM 1088 OH TYR A 67 7.484 11.835 -0.061 1.00 0.40 O ATOM 0 H TYR A 67 3.223 9.108 3.023 1.00 0.16 H new ATOM 0 HA TYR A 67 3.710 6.865 1.440 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.211 7.830 3.898 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.820 6.671 2.732 1.00 0.22 H new ATOM 0 HD1 TYR A 67 3.968 9.786 1.873 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.746 7.842 2.019 1.00 0.33 H new ATOM 0 HE1 TYR A 67 4.968 11.653 0.643 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.746 9.693 0.758 1.00 0.37 H new ATOM 0 HH TYR A 67 8.425 11.925 0.197 1.00 0.40 H new ATOM 1098 N SER A 68 3.244 6.274 4.679 1.00 0.15 N ATOM 1099 CA SER A 68 2.864 5.282 5.664 1.00 0.18 C ATOM 1100 C SER A 68 1.436 4.798 5.430 1.00 0.17 C ATOM 1101 O SER A 68 1.130 3.635 5.661 1.00 0.20 O ATOM 1102 CB SER A 68 3.012 5.857 7.075 1.00 0.26 C ATOM 1103 OG SER A 68 2.752 4.876 8.066 1.00 1.22 O ATOM 0 H SER A 68 3.426 7.200 5.066 1.00 0.15 H new ATOM 0 HA SER A 68 3.529 4.425 5.562 1.00 0.18 H new ATOM 0 HB2 SER A 68 4.021 6.249 7.205 1.00 0.26 H new ATOM 0 HB3 SER A 68 2.326 6.694 7.202 1.00 0.26 H new ATOM 0 HG SER A 68 2.829 3.983 7.670 1.00 1.22 H new ATOM 1109 N GLY A 69 0.563 5.682 4.965 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.784 5.265 4.627 1.00 0.17 C ATOM 1111 C GLY A 69 -0.775 4.151 3.599 1.00 0.16 C ATOM 1112 O GLY A 69 -1.630 3.264 3.615 1.00 0.17 O ATOM 0 H GLY A 69 0.761 6.672 4.817 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.299 4.928 5.527 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.344 6.116 4.239 1.00 0.17 H new ATOM 1116 N ILE A 70 0.206 4.206 2.710 1.00 0.15 N ATOM 1117 CA ILE A 70 0.427 3.162 1.730 1.00 0.16 C ATOM 1118 C ILE A 70 0.808 1.839 2.398 1.00 0.16 C ATOM 1119 O ILE A 70 0.254 0.793 2.066 1.00 0.17 O ATOM 1120 CB ILE A 70 1.544 3.569 0.758 1.00 0.16 C ATOM 1121 CG1 ILE A 70 1.108 4.790 -0.053 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.901 2.404 -0.145 1.00 0.17 C ATOM 1123 CD1 ILE A 70 2.186 5.336 -0.962 1.00 0.18 C ATOM 0 H ILE A 70 0.870 4.978 2.651 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.507 3.025 1.186 1.00 0.16 H new ATOM 0 HB ILE A 70 2.436 3.838 1.324 1.00 0.16 H new ATOM 0 HG12 ILE A 70 0.239 4.523 -0.655 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.792 5.576 0.633 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.694 2.704 -0.830 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.243 1.565 0.461 1.00 0.17 H new ATOM 0 HG23 ILE A 70 1.023 2.104 -0.716 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.802 6.200 -1.504 1.00 0.18 H new ATOM 0 HD12 ILE A 70 3.048 5.635 -0.365 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.487 4.566 -1.673 1.00 0.18 H new ATOM 1135 N CYS A 71 1.756 1.882 3.339 1.00 0.17 N ATOM 1136 CA CYS A 71 2.185 0.663 4.027 1.00 0.18 C ATOM 1137 C CYS A 71 1.014 0.089 4.807 1.00 0.17 C ATOM 1138 O CYS A 71 0.838 -1.123 4.889 1.00 0.17 O ATOM 1139 CB CYS A 71 3.383 0.923 4.960 1.00 0.21 C ATOM 1140 SG CYS A 71 3.003 1.737 6.530 1.00 1.10 S ATOM 0 H CYS A 71 2.233 2.733 3.637 1.00 0.17 H new ATOM 0 HA CYS A 71 2.515 -0.057 3.278 1.00 0.18 H new ATOM 0 HB2 CYS A 71 3.864 -0.031 5.175 1.00 0.21 H new ATOM 0 HB3 CYS A 71 4.110 1.533 4.424 1.00 0.21 H new ATOM 0 HG CYS A 71 2.096 2.649 6.338 1.00 1.10 H new ATOM 1146 N GLN A 72 0.207 0.986 5.359 1.00 0.18 N ATOM 1147 CA GLN A 72 -1.028 0.610 6.040 1.00 0.19 C ATOM 1148 C GLN A 72 -1.980 -0.099 5.080 1.00 0.17 C ATOM 1149 O GLN A 72 -2.727 -0.995 5.476 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.730 1.836 6.625 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.908 2.593 7.653 1.00 0.28 C ATOM 1152 CD GLN A 72 -1.745 3.565 8.461 1.00 1.02 C ATOM 1153 OE1 GLN A 72 -1.889 4.735 8.108 1.00 1.82 O ATOM 1154 NE2 GLN A 72 -2.316 3.079 9.551 1.00 1.56 N ATOM 0 H GLN A 72 0.387 1.990 5.348 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.759 -0.067 6.851 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -1.989 2.515 5.812 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.666 1.519 7.086 1.00 0.22 H new ATOM 0 HG2 GLN A 72 -0.430 1.882 8.327 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -0.111 3.138 7.147 1.00 0.28 H new ATOM 0 HE21 GLN A 72 -2.172 2.103 9.810 1.00 1.56 H new ATOM 0 HE22 GLN A 72 -2.900 3.680 10.132 1.00 1.56 H new ATOM 1163 N PHE A 73 -1.951 0.320 3.825 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.789 -0.267 2.792 1.00 0.15 C ATOM 1165 C PHE A 73 -2.299 -1.665 2.423 1.00 0.15 C ATOM 1166 O PHE A 73 -3.076 -2.619 2.420 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.805 0.649 1.563 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.611 0.125 0.408 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.986 -0.436 -0.689 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -4.993 0.185 0.429 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.724 -0.928 -1.747 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.735 -0.306 -0.625 1.00 0.17 C ATOM 1173 CZ PHE A 73 -5.098 -0.822 -1.734 1.00 0.15 C ATOM 0 H PHE A 73 -1.348 1.074 3.495 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.805 -0.365 3.174 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.201 1.622 1.855 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.779 0.809 1.231 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.908 -0.490 -0.719 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.496 0.621 1.279 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.225 -1.395 -2.583 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.814 -0.286 -0.582 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.674 -1.142 -2.590 1.00 0.15 H new ATOM 1183 N VAL A 74 -1.006 -1.793 2.134 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.436 -3.092 1.763 1.00 0.19 C ATOM 1185 C VAL A 74 -0.470 -4.044 2.952 1.00 0.19 C ATOM 1186 O VAL A 74 -0.435 -5.264 2.792 1.00 0.21 O ATOM 1187 CB VAL A 74 1.013 -2.966 1.241 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.161 -1.695 0.438 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.031 -3.008 2.372 1.00 0.24 C ATOM 0 H VAL A 74 -0.337 -1.023 2.148 1.00 0.17 H new ATOM 0 HA VAL A 74 -1.048 -3.490 0.954 1.00 0.19 H new ATOM 0 HB VAL A 74 1.213 -3.823 0.598 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.185 -1.612 0.073 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.475 -1.717 -0.408 1.00 0.28 H new ATOM 0 HG13 VAL A 74 0.931 -0.837 1.069 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.036 -2.916 1.960 1.00 0.24 H new ATOM 0 HG22 VAL A 74 1.844 -2.184 3.060 1.00 0.24 H new ATOM 0 HG23 VAL A 74 1.943 -3.954 2.906 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.531 -3.465 4.141 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.656 -4.226 5.377 1.00 0.23 C ATOM 1201 C LYS A 75 -1.900 -5.113 5.350 1.00 0.24 C ATOM 1202 O LYS A 75 -1.918 -6.189 5.948 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.674 -3.271 6.579 1.00 0.25 C ATOM 1204 CG LYS A 75 -1.064 -3.916 7.900 1.00 0.38 C ATOM 1205 CD LYS A 75 -2.541 -3.721 8.199 1.00 0.58 C ATOM 1206 CE LYS A 75 -2.991 -4.534 9.400 1.00 1.08 C ATOM 1207 NZ LYS A 75 -4.435 -4.328 9.685 1.00 1.85 N ATOM 0 H LYS A 75 -0.495 -2.455 4.278 1.00 0.20 H new ATOM 0 HA LYS A 75 0.208 -4.884 5.474 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.315 -2.826 6.686 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.369 -2.458 6.369 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -0.836 -4.981 7.868 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -0.469 -3.487 8.706 1.00 0.38 H new ATOM 0 HD2 LYS A 75 -2.737 -2.665 8.382 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -3.128 -4.008 7.327 1.00 0.58 H new ATOM 0 HE2 LYS A 75 -2.802 -5.592 9.216 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -2.403 -4.252 10.273 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 -4.883 -5.244 9.887 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 -4.540 -3.702 10.509 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 -4.893 -3.893 8.859 1.00 1.85 H new ATOM 1221 N GLU A 76 -2.929 -4.666 4.649 1.00 0.21 N ATOM 1222 CA GLU A 76 -4.132 -5.466 4.483 1.00 0.24 C ATOM 1223 C GLU A 76 -3.871 -6.611 3.519 1.00 0.24 C ATOM 1224 O GLU A 76 -4.310 -7.735 3.739 1.00 0.29 O ATOM 1225 CB GLU A 76 -5.278 -4.612 3.957 1.00 0.28 C ATOM 1226 CG GLU A 76 -5.647 -3.472 4.871 1.00 1.05 C ATOM 1227 CD GLU A 76 -6.151 -3.944 6.223 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -7.271 -4.482 6.298 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -5.421 -3.790 7.225 1.00 1.31 O ATOM 0 H GLU A 76 -2.956 -3.757 4.187 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.409 -5.868 5.457 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -5.004 -4.211 2.981 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -6.153 -5.245 3.807 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -4.777 -2.832 5.016 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -6.415 -2.863 4.394 1.00 1.05 H new ATOM 1236 N ALA A 77 -3.135 -6.323 2.459 1.00 0.21 N ATOM 1237 CA ALA A 77 -2.825 -7.330 1.456 1.00 0.22 C ATOM 1238 C ALA A 77 -1.922 -8.416 2.030 1.00 0.22 C ATOM 1239 O ALA A 77 -2.028 -9.584 1.663 1.00 0.24 O ATOM 1240 CB ALA A 77 -2.186 -6.696 0.236 1.00 0.24 C ATOM 0 H ALA A 77 -2.741 -5.401 2.270 1.00 0.21 H new ATOM 0 HA ALA A 77 -3.762 -7.796 1.150 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -1.963 -7.468 -0.500 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -2.872 -5.968 -0.197 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -1.263 -6.195 0.528 1.00 0.24 H new ATOM 1246 N LYS A 78 -1.040 -8.020 2.934 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.164 -8.964 3.618 1.00 0.30 C ATOM 1248 C LYS A 78 -0.947 -9.701 4.693 1.00 0.31 C ATOM 1249 O LYS A 78 -0.558 -10.771 5.150 1.00 0.37 O ATOM 1250 CB LYS A 78 1.028 -8.220 4.225 1.00 0.42 C ATOM 1251 CG LYS A 78 0.756 -7.582 5.577 1.00 0.84 C ATOM 1252 CD LYS A 78 1.928 -6.737 6.062 1.00 0.72 C ATOM 1253 CE LYS A 78 2.806 -7.494 7.045 1.00 1.08 C ATOM 1254 NZ LYS A 78 2.063 -7.906 8.268 1.00 1.88 N ATOM 0 H LYS A 78 -0.910 -7.048 3.213 1.00 0.24 H new ATOM 0 HA LYS A 78 0.215 -9.695 2.904 1.00 0.30 H new ATOM 0 HB2 LYS A 78 1.860 -8.917 4.328 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.347 -7.444 3.530 1.00 0.42 H new ATOM 0 HG2 LYS A 78 -0.136 -6.959 5.510 1.00 0.84 H new ATOM 0 HG3 LYS A 78 0.545 -8.362 6.309 1.00 0.84 H new ATOM 0 HD2 LYS A 78 2.527 -6.423 5.207 1.00 0.72 H new ATOM 0 HD3 LYS A 78 1.550 -5.831 6.536 1.00 0.72 H new ATOM 0 HE2 LYS A 78 3.215 -8.378 6.556 1.00 1.08 H new ATOM 0 HE3 LYS A 78 3.651 -6.868 7.330 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 2.723 -7.973 9.069 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 1.329 -7.201 8.482 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 1.618 -8.832 8.108 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.050 -9.092 5.089 1.00 0.31 N ATOM 1269 CA ASP A 79 -2.924 -9.642 6.123 1.00 0.36 C ATOM 1270 C ASP A 79 -3.791 -10.768 5.569 1.00 0.34 C ATOM 1271 O ASP A 79 -3.871 -11.847 6.155 1.00 0.38 O ATOM 1272 CB ASP A 79 -3.815 -8.538 6.697 1.00 0.41 C ATOM 1273 CG ASP A 79 -4.724 -9.025 7.805 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -5.953 -9.098 7.591 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -4.213 -9.362 8.892 1.00 1.60 O ATOM 0 H ASP A 79 -2.370 -8.202 4.706 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.296 -10.051 6.914 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -3.186 -7.733 7.078 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -4.422 -8.116 5.896 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.431 -10.515 4.432 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.307 -11.517 3.817 1.00 0.32 C ATOM 1282 C ILE A 80 -4.491 -12.448 2.939 1.00 0.30 C ATOM 1283 O ILE A 80 -4.952 -13.511 2.519 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.465 -10.879 2.998 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.179 -10.824 1.485 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -6.757 -9.485 3.524 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.193 -9.761 1.058 1.00 0.22 C ATOM 0 H ILE A 80 -4.364 -9.636 3.919 1.00 0.30 H new ATOM 0 HA ILE A 80 -5.768 -12.084 4.626 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.336 -11.521 3.127 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -5.803 -11.796 1.166 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.119 -10.658 0.959 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.569 -9.041 2.948 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.047 -9.545 4.573 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -5.865 -8.866 3.430 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.059 -9.803 -0.023 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.573 -8.779 1.339 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.236 -9.934 1.550 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.264 -12.006 2.686 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.261 -12.764 1.952 1.00 0.29 C ATOM 1301 C LYS A 81 -2.545 -12.786 0.455 1.00 0.29 C ATOM 1302 O LYS A 81 -2.631 -13.846 -0.160 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.124 -14.194 2.499 1.00 0.36 C ATOM 1304 CG LYS A 81 -1.624 -14.262 3.935 1.00 0.39 C ATOM 1305 CD LYS A 81 -0.211 -13.717 4.059 1.00 0.40 C ATOM 1306 CE LYS A 81 0.273 -13.721 5.501 1.00 0.53 C ATOM 1307 NZ LYS A 81 0.429 -15.097 6.040 1.00 1.47 N ATOM 0 H LYS A 81 -2.933 -11.091 2.993 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.311 -12.251 2.100 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.093 -14.690 2.439 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -1.440 -14.753 1.860 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -2.292 -13.693 4.581 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -1.648 -15.295 4.281 1.00 0.39 H new ATOM 0 HD2 LYS A 81 0.464 -14.316 3.448 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -0.178 -12.700 3.668 1.00 0.40 H new ATOM 0 HE2 LYS A 81 1.228 -13.199 5.563 1.00 0.53 H new ATOM 0 HE3 LYS A 81 -0.433 -13.168 6.121 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 0.856 -15.052 6.987 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 -0.503 -15.554 6.102 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 1.044 -15.649 5.409 1.00 1.47 H new ATOM 1321 N GLY A 82 -2.671 -11.603 -0.131 1.00 0.23 N ATOM 1322 CA GLY A 82 -2.851 -11.507 -1.567 1.00 0.26 C ATOM 1323 C GLY A 82 -1.694 -10.826 -2.275 1.00 0.22 C ATOM 1324 O GLY A 82 -0.523 -11.126 -2.022 1.00 0.23 O ATOM 0 H GLY A 82 -2.652 -10.710 0.361 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -2.980 -12.509 -1.977 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -3.769 -10.957 -1.775 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.038 -9.930 -3.189 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.069 -9.192 -3.985 1.00 0.17 C ATOM 1330 C LYS A 83 -1.262 -7.698 -3.782 1.00 0.16 C ATOM 1331 O LYS A 83 -2.332 -7.265 -3.348 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.210 -9.519 -5.467 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.354 -10.689 -5.886 1.00 0.26 C ATOM 1334 CD LYS A 83 -0.878 -11.983 -5.314 1.00 0.30 C ATOM 1335 CE LYS A 83 0.239 -12.968 -5.080 1.00 0.42 C ATOM 1336 NZ LYS A 83 0.872 -13.417 -6.351 1.00 1.06 N ATOM 0 H LYS A 83 -3.007 -9.693 -3.401 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.072 -9.486 -3.657 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.254 -9.739 -5.689 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -0.937 -8.644 -6.056 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.329 -10.753 -6.974 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.672 -10.530 -5.553 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -1.395 -11.786 -4.375 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -1.610 -12.415 -5.996 1.00 0.30 H new ATOM 0 HE2 LYS A 83 0.995 -12.511 -4.442 1.00 0.42 H new ATOM 0 HE3 LYS A 83 -0.150 -13.834 -4.544 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 1.634 -14.093 -6.140 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 0.158 -13.877 -6.951 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 1.267 -12.595 -6.851 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.252 -6.916 -4.110 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.352 -5.472 -4.009 1.00 0.15 C ATOM 1352 C LEU A 84 -0.105 -4.838 -5.375 1.00 0.15 C ATOM 1353 O LEU A 84 0.808 -5.237 -6.092 1.00 0.17 O ATOM 1354 CB LEU A 84 0.648 -4.956 -2.970 1.00 0.16 C ATOM 1355 CG LEU A 84 0.416 -3.529 -2.460 1.00 0.16 C ATOM 1356 CD1 LEU A 84 1.000 -2.507 -3.422 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -1.073 -3.268 -2.243 1.00 0.15 C ATOM 0 H LEU A 84 0.648 -7.256 -4.449 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.355 -5.196 -3.684 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.634 -5.632 -2.115 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.648 -5.008 -3.401 1.00 0.16 H new ATOM 0 HG LEU A 84 0.927 -3.427 -1.503 1.00 0.16 H new ATOM 0 HD11 LEU A 84 0.822 -1.503 -3.038 1.00 0.17 H new ATOM 0 HD12 LEU A 84 2.073 -2.673 -3.522 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.524 -2.612 -4.397 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -1.215 -2.250 -1.881 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.606 -3.396 -3.185 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.462 -3.972 -1.508 1.00 0.15 H new ATOM 1369 N THR A 85 -0.937 -3.872 -5.733 1.00 0.16 N ATOM 1370 CA THR A 85 -0.818 -3.175 -7.003 1.00 0.17 C ATOM 1371 C THR A 85 -0.686 -1.668 -6.786 1.00 0.17 C ATOM 1372 O THR A 85 -1.494 -1.056 -6.086 1.00 0.21 O ATOM 1373 CB THR A 85 -2.044 -3.453 -7.897 1.00 0.19 C ATOM 1374 OG1 THR A 85 -2.129 -4.852 -8.180 1.00 0.20 O ATOM 1375 CG2 THR A 85 -1.980 -2.670 -9.204 1.00 0.20 C ATOM 0 H THR A 85 -1.712 -3.550 -5.153 1.00 0.16 H new ATOM 0 HA THR A 85 0.079 -3.546 -7.498 1.00 0.17 H new ATOM 0 HB THR A 85 -2.932 -3.128 -7.354 1.00 0.19 H new ATOM 0 HG1 THR A 85 -2.910 -5.024 -8.747 1.00 0.20 H new ATOM 0 HG21 THR A 85 -2.861 -2.893 -9.805 1.00 0.20 H new ATOM 0 HG22 THR A 85 -1.950 -1.602 -8.987 1.00 0.20 H new ATOM 0 HG23 THR A 85 -1.083 -2.954 -9.755 1.00 0.20 H new ATOM 1383 N LEU A 86 0.342 -1.084 -7.374 1.00 0.16 N ATOM 1384 CA LEU A 86 0.519 0.358 -7.348 1.00 0.18 C ATOM 1385 C LEU A 86 -0.071 0.954 -8.624 1.00 0.19 C ATOM 1386 O LEU A 86 0.494 0.806 -9.701 1.00 0.21 O ATOM 1387 CB LEU A 86 2.017 0.698 -7.201 1.00 0.22 C ATOM 1388 CG LEU A 86 2.392 2.191 -7.128 1.00 0.53 C ATOM 1389 CD1 LEU A 86 2.470 2.812 -8.518 1.00 1.45 C ATOM 1390 CD2 LEU A 86 1.402 2.955 -6.255 1.00 1.51 C ATOM 0 H LEU A 86 1.071 -1.589 -7.878 1.00 0.16 H new ATOM 0 HA LEU A 86 -0.002 0.788 -6.493 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.388 0.211 -6.299 1.00 0.22 H new ATOM 0 HB3 LEU A 86 2.549 0.256 -8.043 1.00 0.22 H new ATOM 0 HG LEU A 86 3.380 2.262 -6.674 1.00 0.53 H new ATOM 0 HD11 LEU A 86 2.736 3.865 -8.431 1.00 1.45 H new ATOM 0 HD12 LEU A 86 3.227 2.293 -9.106 1.00 1.45 H new ATOM 0 HD13 LEU A 86 1.502 2.722 -9.012 1.00 1.45 H new ATOM 0 HD21 LEU A 86 1.686 4.007 -6.218 1.00 1.51 H new ATOM 0 HD22 LEU A 86 0.401 2.864 -6.676 1.00 1.51 H new ATOM 0 HD23 LEU A 86 1.411 2.541 -5.247 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.220 1.597 -8.496 1.00 0.20 N ATOM 1403 CA LEU A 87 -1.894 2.220 -9.631 1.00 0.23 C ATOM 1404 C LEU A 87 -1.200 3.518 -10.010 1.00 0.26 C ATOM 1405 O LEU A 87 -0.580 4.164 -9.169 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.360 2.515 -9.308 1.00 0.23 C ATOM 1407 CG LEU A 87 -4.202 1.318 -8.876 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.582 1.788 -8.451 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.311 0.298 -10.000 1.00 0.24 C ATOM 0 H LEU A 87 -1.712 1.703 -7.609 1.00 0.20 H new ATOM 0 HA LEU A 87 -1.849 1.520 -10.465 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.394 3.263 -8.516 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -3.823 2.961 -10.188 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.713 0.835 -8.030 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -6.180 0.930 -8.143 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.489 2.483 -7.617 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -6.069 2.289 -9.288 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -4.916 -0.546 -9.668 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -4.780 0.762 -10.868 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.315 -0.053 -10.270 1.00 0.24 H new ATOM 1421 N GLN A 88 -1.296 3.897 -11.271 1.00 0.34 N ATOM 1422 CA GLN A 88 -0.715 5.148 -11.716 1.00 0.41 C ATOM 1423 C GLN A 88 -1.798 6.046 -12.299 1.00 0.47 C ATOM 1424 O GLN A 88 -2.641 5.595 -13.079 1.00 0.52 O ATOM 1425 CB GLN A 88 0.388 4.885 -12.745 1.00 0.50 C ATOM 1426 CG GLN A 88 1.080 6.140 -13.241 1.00 0.73 C ATOM 1427 CD GLN A 88 2.368 5.849 -13.983 1.00 1.23 C ATOM 1428 OE1 GLN A 88 2.521 4.801 -14.613 1.00 1.93 O ATOM 1429 NE2 GLN A 88 3.307 6.775 -13.908 1.00 1.78 N ATOM 0 H GLN A 88 -1.767 3.361 -12.000 1.00 0.34 H new ATOM 0 HA GLN A 88 -0.268 5.657 -10.862 1.00 0.41 H new ATOM 0 HB2 GLN A 88 1.132 4.222 -12.303 1.00 0.50 H new ATOM 0 HB3 GLN A 88 -0.042 4.359 -13.597 1.00 0.50 H new ATOM 0 HG2 GLN A 88 0.403 6.686 -13.898 1.00 0.73 H new ATOM 0 HG3 GLN A 88 1.294 6.790 -12.393 1.00 0.73 H new ATOM 0 HE21 GLN A 88 3.140 7.629 -13.376 1.00 1.78 H new ATOM 0 HE22 GLN A 88 4.199 6.636 -14.382 1.00 1.78 H new ATOM 1438 N HIS A 89 -1.729 7.322 -11.917 1.00 0.50 N ATOM 1439 CA HIS A 89 -2.750 8.328 -12.216 1.00 0.58 C ATOM 1440 C HIS A 89 -2.603 9.468 -11.220 1.00 0.56 C ATOM 1441 O HIS A 89 -2.553 10.640 -11.588 1.00 0.58 O ATOM 1442 CB HIS A 89 -4.171 7.753 -12.111 1.00 0.66 C ATOM 1443 CG HIS A 89 -5.252 8.735 -12.459 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -6.047 9.348 -11.512 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -5.674 9.204 -13.656 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -6.908 10.147 -12.111 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -6.702 10.079 -13.412 1.00 1.67 N ATOM 0 H HIS A 89 -0.945 7.693 -11.380 1.00 0.50 H new ATOM 0 HA HIS A 89 -2.606 8.672 -13.240 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -4.252 6.889 -12.771 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -4.333 7.394 -11.095 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -5.275 8.939 -14.624 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -7.655 10.754 -11.620 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -7.223 10.594 -14.122 1.00 1.67 H new ATOM 1456 N PHE A 90 -2.526 9.095 -9.946 1.00 0.58 N ATOM 1457 CA PHE A 90 -2.385 10.048 -8.860 1.00 0.61 C ATOM 1458 C PHE A 90 -1.056 10.788 -8.940 1.00 0.61 C ATOM 1459 O PHE A 90 -0.951 11.929 -8.518 1.00 0.60 O ATOM 1460 CB PHE A 90 -2.479 9.314 -7.520 1.00 0.74 C ATOM 1461 CG PHE A 90 -1.252 8.512 -7.166 1.00 1.67 C ATOM 1462 CD1 PHE A 90 -0.352 8.989 -6.226 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -0.996 7.290 -7.770 1.00 2.87 C ATOM 1464 CE1 PHE A 90 0.777 8.266 -5.896 1.00 2.57 C ATOM 1465 CE2 PHE A 90 0.132 6.563 -7.442 1.00 3.95 C ATOM 1466 CZ PHE A 90 1.020 7.052 -6.505 1.00 3.79 C ATOM 0 H PHE A 90 -2.560 8.122 -9.642 1.00 0.58 H new ATOM 0 HA PHE A 90 -3.189 10.780 -8.944 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -2.662 10.044 -6.731 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -3.341 8.647 -7.544 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -0.536 9.939 -5.745 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -1.686 6.903 -8.505 1.00 2.87 H new ATOM 0 HE1 PHE A 90 1.469 8.650 -5.162 1.00 2.57 H new ATOM 0 HE2 PHE A 90 0.319 5.612 -7.919 1.00 3.95 H new ATOM 0 HZ PHE A 90 1.903 6.485 -6.249 1.00 3.79 H new ATOM 1476 N ASP A 91 -0.057 10.138 -9.517 1.00 0.75 N ATOM 1477 CA ASP A 91 1.316 10.627 -9.479 1.00 0.87 C ATOM 1478 C ASP A 91 1.486 11.948 -10.224 1.00 0.92 C ATOM 1479 O ASP A 91 2.445 12.673 -9.982 1.00 1.01 O ATOM 1480 CB ASP A 91 2.270 9.569 -10.044 1.00 1.07 C ATOM 1481 CG ASP A 91 1.921 9.153 -11.460 1.00 1.65 C ATOM 1482 OD1 ASP A 91 2.812 9.197 -12.340 1.00 2.22 O ATOM 1483 OD2 ASP A 91 0.750 8.778 -11.702 1.00 1.88 O ATOM 0 H ASP A 91 -0.172 9.260 -10.023 1.00 0.75 H new ATOM 0 HA ASP A 91 1.562 10.817 -8.434 1.00 0.87 H new ATOM 0 HB2 ASP A 91 3.288 9.959 -10.026 1.00 1.07 H new ATOM 0 HB3 ASP A 91 2.253 8.691 -9.399 1.00 1.07 H new ATOM 1488 N SER A 92 0.563 12.267 -11.120 1.00 0.96 N ATOM 1489 CA SER A 92 0.633 13.527 -11.847 1.00 1.15 C ATOM 1490 C SER A 92 -0.176 14.621 -11.149 1.00 1.10 C ATOM 1491 O SER A 92 0.125 15.807 -11.280 1.00 1.33 O ATOM 1492 CB SER A 92 0.147 13.333 -13.283 1.00 1.33 C ATOM 1493 OG SER A 92 0.946 12.372 -13.954 1.00 1.78 O ATOM 0 H SER A 92 -0.235 11.678 -11.360 1.00 0.96 H new ATOM 0 HA SER A 92 1.674 13.849 -11.866 1.00 1.15 H new ATOM 0 HB2 SER A 92 -0.894 13.010 -13.280 1.00 1.33 H new ATOM 0 HB3 SER A 92 0.185 14.282 -13.817 1.00 1.33 H new ATOM 0 HG SER A 92 0.620 12.259 -14.871 1.00 1.78 H new ATOM 1499 N SER A 93 -1.192 14.223 -10.396 1.00 0.88 N ATOM 1500 CA SER A 93 -2.059 15.182 -9.720 1.00 0.93 C ATOM 1501 C SER A 93 -1.583 15.426 -8.286 1.00 0.83 C ATOM 1502 O SER A 93 -1.688 16.534 -7.756 1.00 0.96 O ATOM 1503 CB SER A 93 -3.505 14.668 -9.726 1.00 0.96 C ATOM 1504 OG SER A 93 -4.415 15.639 -9.227 1.00 1.63 O ATOM 0 H SER A 93 -1.437 13.246 -10.237 1.00 0.88 H new ATOM 0 HA SER A 93 -2.017 16.131 -10.255 1.00 0.93 H new ATOM 0 HB2 SER A 93 -3.788 14.393 -10.742 1.00 0.96 H new ATOM 0 HB3 SER A 93 -3.571 13.764 -9.121 1.00 0.96 H new ATOM 0 HG SER A 93 -5.325 15.276 -9.248 1.00 1.63 H new ATOM 1510 N PHE A 94 -1.043 14.386 -7.672 1.00 0.65 N ATOM 1511 CA PHE A 94 -0.595 14.445 -6.292 1.00 0.62 C ATOM 1512 C PHE A 94 0.905 14.746 -6.249 1.00 0.55 C ATOM 1513 O PHE A 94 1.683 14.166 -7.011 1.00 0.56 O ATOM 1514 CB PHE A 94 -0.905 13.109 -5.607 1.00 0.63 C ATOM 1515 CG PHE A 94 -1.164 13.212 -4.130 1.00 1.17 C ATOM 1516 CD1 PHE A 94 -0.538 12.350 -3.243 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -2.017 14.179 -3.628 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -0.760 12.450 -1.885 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -2.244 14.283 -2.269 1.00 1.80 C ATOM 1520 CZ PHE A 94 -1.668 13.384 -1.403 1.00 2.62 C ATOM 0 H PHE A 94 -0.903 13.479 -8.116 1.00 0.65 H new ATOM 0 HA PHE A 94 -1.118 15.242 -5.763 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -1.777 12.663 -6.086 1.00 0.63 H new ATOM 0 HB3 PHE A 94 -0.069 12.429 -5.770 1.00 0.63 H new ATOM 0 HD1 PHE A 94 0.132 11.591 -3.620 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.511 14.860 -4.306 1.00 1.16 H new ATOM 0 HE1 PHE A 94 -0.230 11.805 -1.200 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -2.875 15.072 -1.887 1.00 1.80 H new ATOM 0 HZ PHE A 94 -1.920 13.404 -0.353 1.00 2.62 H new ATOM 1530 N PRO A 95 1.333 15.658 -5.362 1.00 0.57 N ATOM 1531 CA PRO A 95 2.731 16.102 -5.289 1.00 0.56 C ATOM 1532 C PRO A 95 3.673 15.059 -4.689 1.00 0.50 C ATOM 1533 O PRO A 95 4.845 15.342 -4.452 1.00 0.68 O ATOM 1534 CB PRO A 95 2.662 17.327 -4.377 1.00 0.61 C ATOM 1535 CG PRO A 95 1.475 17.083 -3.513 1.00 0.62 C ATOM 1536 CD PRO A 95 0.486 16.344 -4.369 1.00 0.69 C ATOM 0 HA PRO A 95 3.134 16.296 -6.283 1.00 0.56 H new ATOM 0 HB2 PRO A 95 3.570 17.431 -3.783 1.00 0.61 H new ATOM 0 HB3 PRO A 95 2.551 18.245 -4.954 1.00 0.61 H new ATOM 0 HG2 PRO A 95 1.745 16.497 -2.635 1.00 0.62 H new ATOM 0 HG3 PRO A 95 1.055 18.022 -3.153 1.00 0.62 H new ATOM 0 HD2 PRO A 95 -0.100 15.635 -3.784 1.00 0.69 H new ATOM 0 HD3 PRO A 95 -0.220 17.025 -4.845 1.00 0.69 H new ATOM 1544 N ILE A 96 3.169 13.861 -4.450 1.00 0.36 N ATOM 1545 CA ILE A 96 3.975 12.812 -3.851 1.00 0.29 C ATOM 1546 C ILE A 96 4.306 11.727 -4.863 1.00 0.31 C ATOM 1547 O ILE A 96 3.424 11.042 -5.375 1.00 0.34 O ATOM 1548 CB ILE A 96 3.287 12.198 -2.620 1.00 0.23 C ATOM 1549 CG1 ILE A 96 3.060 13.286 -1.575 1.00 0.29 C ATOM 1550 CG2 ILE A 96 4.141 11.078 -2.050 1.00 0.26 C ATOM 1551 CD1 ILE A 96 2.350 12.815 -0.334 1.00 0.24 C ATOM 0 H ILE A 96 2.208 13.591 -4.661 1.00 0.36 H new ATOM 0 HA ILE A 96 4.905 13.275 -3.522 1.00 0.29 H new ATOM 0 HB ILE A 96 2.324 11.778 -2.911 1.00 0.23 H new ATOM 0 HG12 ILE A 96 4.024 13.707 -1.290 1.00 0.29 H new ATOM 0 HG13 ILE A 96 2.482 14.092 -2.027 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.645 10.650 -1.179 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.279 10.305 -2.806 1.00 0.26 H new ATOM 0 HG23 ILE A 96 5.113 11.475 -1.756 1.00 0.26 H new ATOM 0 HD11 ILE A 96 2.230 13.651 0.356 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.369 12.422 -0.603 1.00 0.24 H new ATOM 0 HD13 ILE A 96 2.936 12.031 0.145 1.00 0.24 H new ATOM 1563 N LYS A 97 5.589 11.605 -5.160 1.00 0.35 N ATOM 1564 CA LYS A 97 6.085 10.584 -6.060 1.00 0.38 C ATOM 1565 C LYS A 97 6.965 9.625 -5.272 1.00 0.35 C ATOM 1566 O LYS A 97 7.882 10.042 -4.569 1.00 0.44 O ATOM 1567 CB LYS A 97 6.873 11.205 -7.223 1.00 0.50 C ATOM 1568 CG LYS A 97 6.093 12.237 -8.030 1.00 0.75 C ATOM 1569 CD LYS A 97 6.044 13.593 -7.336 1.00 0.78 C ATOM 1570 CE LYS A 97 5.414 14.663 -8.217 1.00 0.91 C ATOM 1571 NZ LYS A 97 4.021 14.328 -8.618 1.00 1.38 N ATOM 0 H LYS A 97 6.315 12.213 -4.782 1.00 0.35 H new ATOM 0 HA LYS A 97 5.241 10.045 -6.490 1.00 0.38 H new ATOM 0 HB2 LYS A 97 7.773 11.676 -6.826 1.00 0.50 H new ATOM 0 HB3 LYS A 97 7.199 10.408 -7.892 1.00 0.50 H new ATOM 0 HG2 LYS A 97 6.552 12.350 -9.012 1.00 0.75 H new ATOM 0 HG3 LYS A 97 5.077 11.877 -8.192 1.00 0.75 H new ATOM 0 HD2 LYS A 97 5.476 13.506 -6.410 1.00 0.78 H new ATOM 0 HD3 LYS A 97 7.054 13.897 -7.063 1.00 0.78 H new ATOM 0 HE2 LYS A 97 5.416 15.614 -7.684 1.00 0.91 H new ATOM 0 HE3 LYS A 97 6.023 14.797 -9.111 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 3.639 15.089 -9.216 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 4.018 13.435 -9.150 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 3.430 14.226 -7.768 1.00 1.38 H new ATOM 1585 N VAL A 98 6.686 8.348 -5.390 1.00 0.30 N ATOM 1586 CA VAL A 98 7.292 7.345 -4.521 1.00 0.26 C ATOM 1587 C VAL A 98 7.423 6.000 -5.224 1.00 0.28 C ATOM 1588 O VAL A 98 6.855 5.785 -6.300 1.00 0.33 O ATOM 1589 CB VAL A 98 6.469 7.136 -3.225 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.496 8.373 -2.337 1.00 0.25 C ATOM 1591 CG2 VAL A 98 5.033 6.751 -3.559 1.00 0.21 C ATOM 0 H VAL A 98 6.040 7.969 -6.082 1.00 0.30 H new ATOM 0 HA VAL A 98 8.282 7.725 -4.267 1.00 0.26 H new ATOM 0 HB VAL A 98 6.931 6.320 -2.670 1.00 0.21 H new ATOM 0 HG11 VAL A 98 5.908 8.188 -1.438 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.525 8.598 -2.058 1.00 0.25 H new ATOM 0 HG13 VAL A 98 6.074 9.219 -2.879 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.471 6.608 -2.636 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.571 7.544 -4.147 1.00 0.21 H new ATOM 0 HG23 VAL A 98 5.029 5.825 -4.133 1.00 0.21 H new ATOM 1601 N ASP A 99 8.179 5.102 -4.606 1.00 0.28 N ATOM 1602 CA ASP A 99 8.330 3.741 -5.096 1.00 0.32 C ATOM 1603 C ASP A 99 8.176 2.749 -3.953 1.00 0.23 C ATOM 1604 O ASP A 99 8.743 2.936 -2.873 1.00 0.27 O ATOM 1605 CB ASP A 99 9.688 3.536 -5.767 1.00 0.51 C ATOM 1606 CG ASP A 99 9.852 4.340 -7.041 1.00 0.63 C ATOM 1607 OD1 ASP A 99 9.219 3.984 -8.057 1.00 1.11 O ATOM 1608 OD2 ASP A 99 10.626 5.320 -7.042 1.00 0.98 O ATOM 0 H ASP A 99 8.703 5.297 -3.753 1.00 0.28 H new ATOM 0 HA ASP A 99 7.550 3.570 -5.838 1.00 0.32 H new ATOM 0 HB2 ASP A 99 10.477 3.811 -5.067 1.00 0.51 H new ATOM 0 HB3 ASP A 99 9.818 2.478 -5.994 1.00 0.51 H new ATOM 1613 N LEU A 100 7.401 1.705 -4.194 1.00 0.19 N ATOM 1614 CA LEU A 100 7.140 0.683 -3.200 1.00 0.13 C ATOM 1615 C LEU A 100 8.094 -0.487 -3.374 1.00 0.13 C ATOM 1616 O LEU A 100 8.339 -0.930 -4.495 1.00 0.16 O ATOM 1617 CB LEU A 100 5.702 0.179 -3.326 1.00 0.18 C ATOM 1618 CG LEU A 100 4.601 1.199 -3.027 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.524 2.272 -4.105 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.266 0.493 -2.896 1.00 0.35 C ATOM 0 H LEU A 100 6.935 1.544 -5.087 1.00 0.19 H new ATOM 0 HA LEU A 100 7.288 1.124 -2.214 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.557 -0.194 -4.340 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.576 -0.669 -2.653 1.00 0.18 H new ATOM 0 HG LEU A 100 4.845 1.692 -2.086 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.731 2.979 -3.859 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.476 2.800 -4.162 1.00 0.26 H new ATOM 0 HD13 LEU A 100 4.310 1.807 -5.067 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.487 1.225 -2.683 1.00 0.35 H new ATOM 0 HD22 LEU A 100 3.034 -0.023 -3.828 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.316 -0.231 -2.083 1.00 0.35 H new ATOM 1632 N TYR A 101 8.632 -0.981 -2.271 1.00 0.13 N ATOM 1633 CA TYR A 101 9.526 -2.134 -2.307 1.00 0.16 C ATOM 1634 C TYR A 101 9.085 -3.190 -1.305 1.00 0.16 C ATOM 1635 O TYR A 101 8.553 -2.869 -0.240 1.00 0.19 O ATOM 1636 CB TYR A 101 10.982 -1.727 -2.024 1.00 0.19 C ATOM 1637 CG TYR A 101 11.701 -1.104 -3.201 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.183 0.000 -3.860 1.00 0.20 C ATOM 1639 CD2 TYR A 101 12.906 -1.627 -3.650 1.00 0.26 C ATOM 1640 CE1 TYR A 101 11.841 0.564 -4.931 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.570 -1.067 -4.721 1.00 0.30 C ATOM 1642 CZ TYR A 101 13.034 0.029 -5.356 1.00 0.28 C ATOM 1643 OH TYR A 101 13.691 0.598 -6.420 1.00 0.33 O ATOM 0 H TYR A 101 8.467 -0.604 -1.338 1.00 0.13 H new ATOM 0 HA TYR A 101 9.475 -2.552 -3.312 1.00 0.16 H new ATOM 0 HB2 TYR A 101 10.994 -1.022 -1.193 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.536 -2.609 -1.702 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.247 0.425 -3.528 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.330 -2.486 -3.152 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.422 1.423 -5.434 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.506 -1.487 -5.059 1.00 0.30 H new ATOM 0 HH TYR A 101 13.037 0.972 -7.046 1.00 0.33 H new ATOM 1653 N PHE A 102 9.296 -4.448 -1.665 1.00 0.16 N ATOM 1654 CA PHE A 102 9.047 -5.560 -0.763 1.00 0.16 C ATOM 1655 C PHE A 102 10.355 -6.273 -0.443 1.00 0.15 C ATOM 1656 O PHE A 102 11.262 -6.330 -1.275 1.00 0.19 O ATOM 1657 CB PHE A 102 8.100 -6.598 -1.376 1.00 0.20 C ATOM 1658 CG PHE A 102 6.661 -6.192 -1.503 1.00 0.16 C ATOM 1659 CD1 PHE A 102 6.034 -5.443 -0.523 1.00 0.24 C ATOM 1660 CD2 PHE A 102 5.921 -6.608 -2.596 1.00 0.25 C ATOM 1661 CE1 PHE A 102 4.696 -5.112 -0.636 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.589 -6.278 -2.716 1.00 0.34 C ATOM 1663 CZ PHE A 102 3.975 -5.529 -1.734 1.00 0.31 C ATOM 0 H PHE A 102 9.642 -4.724 -2.584 1.00 0.16 H new ATOM 0 HA PHE A 102 8.591 -5.140 0.134 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.471 -6.856 -2.368 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.148 -7.504 -0.772 1.00 0.20 H new ATOM 0 HD1 PHE A 102 6.595 -5.114 0.339 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.394 -7.200 -3.366 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.217 -4.527 0.135 1.00 0.27 H new ATOM 0 HE2 PHE A 102 4.026 -6.605 -3.578 1.00 0.34 H new ATOM 0 HZ PHE A 102 2.931 -5.270 -1.825 1.00 0.31 H new ATOM 1673 N LEU A 103 10.432 -6.826 0.747 1.00 0.16 N ATOM 1674 CA LEU A 103 11.558 -7.653 1.151 1.00 0.17 C ATOM 1675 C LEU A 103 11.120 -9.117 1.138 1.00 0.18 C ATOM 1676 O LEU A 103 10.108 -9.456 1.738 1.00 0.19 O ATOM 1677 CB LEU A 103 11.996 -7.237 2.566 1.00 0.18 C ATOM 1678 CG LEU A 103 13.436 -7.574 2.989 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.693 -9.071 3.017 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.442 -6.885 2.082 1.00 0.25 C ATOM 0 H LEU A 103 9.717 -6.718 1.466 1.00 0.16 H new ATOM 0 HA LEU A 103 12.397 -7.524 0.467 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.862 -6.159 2.657 1.00 0.18 H new ATOM 0 HB3 LEU A 103 11.317 -7.704 3.280 1.00 0.18 H new ATOM 0 HG LEU A 103 13.561 -7.201 4.006 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.723 -9.258 3.321 1.00 0.22 H new ATOM 0 HD12 LEU A 103 13.014 -9.544 3.726 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.527 -9.487 2.023 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.453 -7.139 2.401 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.292 -7.216 1.054 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.304 -5.805 2.139 1.00 0.25 H new ATOM 1692 N LYS A 104 11.848 -9.972 0.430 1.00 0.23 N ATOM 1693 CA LYS A 104 11.569 -11.405 0.446 1.00 0.29 C ATOM 1694 C LYS A 104 12.803 -12.194 0.860 1.00 0.33 C ATOM 1695 O LYS A 104 13.705 -12.410 0.049 1.00 0.39 O ATOM 1696 CB LYS A 104 11.104 -11.901 -0.919 1.00 0.42 C ATOM 1697 CG LYS A 104 9.665 -11.558 -1.248 1.00 0.60 C ATOM 1698 CD LYS A 104 9.570 -10.293 -2.067 1.00 0.64 C ATOM 1699 CE LYS A 104 8.216 -10.187 -2.748 1.00 0.66 C ATOM 1700 NZ LYS A 104 8.208 -9.153 -3.812 1.00 1.22 N ATOM 0 H LYS A 104 12.634 -9.700 -0.161 1.00 0.23 H new ATOM 0 HA LYS A 104 10.771 -11.563 1.172 1.00 0.29 H new ATOM 0 HB2 LYS A 104 11.751 -11.477 -1.687 1.00 0.42 H new ATOM 0 HB3 LYS A 104 11.226 -12.983 -0.961 1.00 0.42 H new ATOM 0 HG2 LYS A 104 9.210 -12.383 -1.797 1.00 0.60 H new ATOM 0 HG3 LYS A 104 9.098 -11.438 -0.325 1.00 0.60 H new ATOM 0 HD2 LYS A 104 9.727 -9.427 -1.424 1.00 0.64 H new ATOM 0 HD3 LYS A 104 10.361 -10.281 -2.817 1.00 0.64 H new ATOM 0 HE2 LYS A 104 7.950 -11.152 -3.179 1.00 0.66 H new ATOM 0 HE3 LYS A 104 7.454 -9.949 -2.005 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 7.226 -8.932 -4.074 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 8.675 -8.292 -3.463 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 8.717 -9.509 -4.646 1.00 1.22 H new ATOM 1714 N GLY A 105 12.845 -12.632 2.110 1.00 0.34 N ATOM 1715 CA GLY A 105 14.002 -13.357 2.596 1.00 0.42 C ATOM 1716 C GLY A 105 15.209 -12.454 2.687 1.00 0.40 C ATOM 1717 O GLY A 105 15.376 -11.724 3.662 1.00 0.40 O ATOM 0 H GLY A 105 12.101 -12.499 2.795 1.00 0.34 H new ATOM 0 HA2 GLY A 105 13.785 -13.779 3.577 1.00 0.42 H new ATOM 0 HA3 GLY A 105 14.218 -14.192 1.930 1.00 0.42 H new ATOM 1721 N SER A 106 16.056 -12.508 1.675 1.00 0.40 N ATOM 1722 CA SER A 106 17.158 -11.571 1.560 1.00 0.41 C ATOM 1723 C SER A 106 17.088 -10.839 0.221 1.00 0.37 C ATOM 1724 O SER A 106 17.930 -10.011 -0.088 1.00 0.41 O ATOM 1725 CB SER A 106 18.493 -12.301 1.696 1.00 0.52 C ATOM 1726 OG SER A 106 18.558 -13.023 2.918 1.00 1.31 O ATOM 0 H SER A 106 16.001 -13.192 0.920 1.00 0.40 H new ATOM 0 HA SER A 106 17.080 -10.839 2.364 1.00 0.41 H new ATOM 0 HB2 SER A 106 18.624 -12.986 0.858 1.00 0.52 H new ATOM 0 HB3 SER A 106 19.311 -11.582 1.651 1.00 0.52 H new ATOM 0 HG SER A 106 19.421 -13.483 2.981 1.00 1.31 H new ATOM 1732 N LYS A 107 16.066 -11.141 -0.562 1.00 0.36 N ATOM 1733 CA LYS A 107 15.897 -10.547 -1.883 1.00 0.37 C ATOM 1734 C LYS A 107 14.865 -9.419 -1.847 1.00 0.32 C ATOM 1735 O LYS A 107 13.696 -9.642 -1.538 1.00 0.39 O ATOM 1736 CB LYS A 107 15.467 -11.631 -2.881 1.00 0.47 C ATOM 1737 CG LYS A 107 15.158 -11.122 -4.286 1.00 0.65 C ATOM 1738 CD LYS A 107 16.369 -10.486 -4.957 1.00 0.95 C ATOM 1739 CE LYS A 107 17.528 -11.463 -5.099 1.00 1.57 C ATOM 1740 NZ LYS A 107 17.177 -12.645 -5.932 1.00 2.27 N ATOM 0 H LYS A 107 15.332 -11.801 -0.304 1.00 0.36 H new ATOM 0 HA LYS A 107 16.849 -10.121 -2.200 1.00 0.37 H new ATOM 0 HB2 LYS A 107 16.257 -12.379 -2.946 1.00 0.47 H new ATOM 0 HB3 LYS A 107 14.583 -12.135 -2.490 1.00 0.47 H new ATOM 0 HG2 LYS A 107 14.801 -11.950 -4.898 1.00 0.65 H new ATOM 0 HG3 LYS A 107 14.350 -10.392 -4.235 1.00 0.65 H new ATOM 0 HD2 LYS A 107 16.084 -10.117 -5.942 1.00 0.95 H new ATOM 0 HD3 LYS A 107 16.693 -9.623 -4.375 1.00 0.95 H new ATOM 0 HE2 LYS A 107 18.380 -10.949 -5.544 1.00 1.57 H new ATOM 0 HE3 LYS A 107 17.839 -11.799 -4.110 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 18.029 -13.219 -6.097 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 16.464 -13.218 -5.438 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 16.793 -12.325 -6.844 1.00 2.27 H new ATOM 1754 N VAL A 108 15.304 -8.208 -2.159 1.00 0.24 N ATOM 1755 CA VAL A 108 14.406 -7.060 -2.213 1.00 0.22 C ATOM 1756 C VAL A 108 13.849 -6.877 -3.628 1.00 0.23 C ATOM 1757 O VAL A 108 14.575 -6.993 -4.616 1.00 0.30 O ATOM 1758 CB VAL A 108 15.103 -5.760 -1.735 1.00 0.26 C ATOM 1759 CG1 VAL A 108 16.495 -5.639 -2.321 1.00 0.74 C ATOM 1760 CG2 VAL A 108 14.264 -4.540 -2.081 1.00 0.79 C ATOM 0 H VAL A 108 16.277 -7.993 -2.379 1.00 0.24 H new ATOM 0 HA VAL A 108 13.580 -7.261 -1.531 1.00 0.22 H new ATOM 0 HB VAL A 108 15.200 -5.811 -0.651 1.00 0.26 H new ATOM 0 HG11 VAL A 108 16.959 -4.718 -1.968 1.00 0.74 H new ATOM 0 HG12 VAL A 108 17.097 -6.492 -2.008 1.00 0.74 H new ATOM 0 HG13 VAL A 108 16.431 -5.620 -3.409 1.00 0.74 H new ATOM 0 HG21 VAL A 108 14.772 -3.639 -1.736 1.00 0.79 H new ATOM 0 HG22 VAL A 108 14.126 -4.488 -3.161 1.00 0.79 H new ATOM 0 HG23 VAL A 108 13.292 -4.617 -1.594 1.00 0.79 H new ATOM 1770 N MET A 109 12.552 -6.604 -3.710 1.00 0.22 N ATOM 1771 CA MET A 109 11.856 -6.477 -4.986 1.00 0.27 C ATOM 1772 C MET A 109 10.932 -5.262 -4.985 1.00 0.24 C ATOM 1773 O MET A 109 10.034 -5.170 -4.148 1.00 0.25 O ATOM 1774 CB MET A 109 11.007 -7.719 -5.243 1.00 0.36 C ATOM 1775 CG MET A 109 11.789 -9.011 -5.389 1.00 0.44 C ATOM 1776 SD MET A 109 10.696 -10.438 -5.541 1.00 1.47 S ATOM 1777 CE MET A 109 11.890 -11.765 -5.686 1.00 1.85 C ATOM 0 H MET A 109 11.954 -6.465 -2.896 1.00 0.22 H new ATOM 0 HA MET A 109 12.610 -6.362 -5.765 1.00 0.27 H new ATOM 0 HB2 MET A 109 10.298 -7.832 -4.423 1.00 0.36 H new ATOM 0 HB3 MET A 109 10.423 -7.561 -6.150 1.00 0.36 H new ATOM 0 HG2 MET A 109 12.432 -8.950 -6.267 1.00 0.44 H new ATOM 0 HG3 MET A 109 12.440 -9.142 -4.525 1.00 0.44 H new ATOM 0 HE1 MET A 109 11.372 -12.697 -5.912 1.00 1.85 H new ATOM 0 HE2 MET A 109 12.592 -11.537 -6.488 1.00 1.85 H new ATOM 0 HE3 MET A 109 12.433 -11.870 -4.747 1.00 1.85 H new ATOM 1787 N PRO A 110 11.130 -4.318 -5.918 1.00 0.24 N ATOM 1788 CA PRO A 110 10.248 -3.154 -6.072 1.00 0.23 C ATOM 1789 C PRO A 110 8.899 -3.516 -6.703 1.00 0.21 C ATOM 1790 O PRO A 110 8.765 -4.547 -7.366 1.00 0.20 O ATOM 1791 CB PRO A 110 11.047 -2.241 -6.996 1.00 0.27 C ATOM 1792 CG PRO A 110 11.856 -3.174 -7.814 1.00 0.29 C ATOM 1793 CD PRO A 110 12.240 -4.289 -6.888 1.00 0.28 C ATOM 0 HA PRO A 110 9.991 -2.702 -5.114 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.392 -1.631 -7.618 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.679 -1.556 -6.431 1.00 0.27 H new ATOM 0 HG2 PRO A 110 11.284 -3.548 -8.663 1.00 0.29 H new ATOM 0 HG3 PRO A 110 12.738 -2.678 -8.218 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.337 -5.237 -7.417 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.196 -4.097 -6.401 1.00 0.28 H new ATOM 1801 N LEU A 111 7.907 -2.663 -6.487 1.00 0.23 N ATOM 1802 CA LEU A 111 6.560 -2.882 -7.003 1.00 0.22 C ATOM 1803 C LEU A 111 6.461 -2.369 -8.437 1.00 0.22 C ATOM 1804 O LEU A 111 6.917 -1.264 -8.741 1.00 0.26 O ATOM 1805 CB LEU A 111 5.544 -2.136 -6.131 1.00 0.27 C ATOM 1806 CG LEU A 111 4.204 -2.834 -5.862 1.00 0.27 C ATOM 1807 CD1 LEU A 111 3.674 -3.565 -7.088 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.339 -3.782 -4.695 1.00 0.31 C ATOM 0 H LEU A 111 8.011 -1.802 -5.951 1.00 0.23 H new ATOM 0 HA LEU A 111 6.345 -3.950 -6.984 1.00 0.22 H new ATOM 0 HB2 LEU A 111 6.014 -1.925 -5.170 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.336 -1.175 -6.602 1.00 0.27 H new ATOM 0 HG LEU A 111 3.476 -2.060 -5.616 1.00 0.27 H new ATOM 0 HD11 LEU A 111 2.724 -4.042 -6.845 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.525 -2.853 -7.900 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.392 -4.324 -7.398 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.383 -4.272 -4.512 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.095 -4.534 -4.923 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.637 -3.225 -3.807 1.00 0.31 H new ATOM 1820 N ASN A 112 5.849 -3.157 -9.306 1.00 0.22 N ATOM 1821 CA ASN A 112 5.642 -2.745 -10.684 1.00 0.25 C ATOM 1822 C ASN A 112 4.299 -2.032 -10.808 1.00 0.23 C ATOM 1823 O ASN A 112 3.295 -2.470 -10.240 1.00 0.22 O ATOM 1824 CB ASN A 112 5.703 -3.950 -11.629 1.00 0.29 C ATOM 1825 CG ASN A 112 5.579 -3.546 -13.089 1.00 1.06 C ATOM 1826 OD1 ASN A 112 5.942 -2.435 -13.467 1.00 1.85 O ATOM 1827 ND2 ASN A 112 5.084 -4.446 -13.921 1.00 1.69 N ATOM 0 H ASN A 112 5.488 -4.084 -9.082 1.00 0.22 H new ATOM 0 HA ASN A 112 6.438 -2.058 -10.970 1.00 0.25 H new ATOM 0 HB2 ASN A 112 6.644 -4.479 -11.479 1.00 0.29 H new ATOM 0 HB3 ASN A 112 4.903 -4.646 -11.378 1.00 0.29 H new ATOM 0 HD21 ASN A 112 4.993 -4.228 -14.913 1.00 1.69 H new ATOM 0 HD22 ASN A 112 4.793 -5.359 -13.571 1.00 1.69 H new ATOM 1834 N THR A 113 4.298 -0.923 -11.533 1.00 0.29 N ATOM 1835 CA THR A 113 3.117 -0.091 -11.678 1.00 0.31 C ATOM 1836 C THR A 113 1.958 -0.859 -12.315 1.00 0.28 C ATOM 1837 O THR A 113 2.079 -1.385 -13.424 1.00 0.32 O ATOM 1838 CB THR A 113 3.433 1.151 -12.522 1.00 0.41 C ATOM 1839 OG1 THR A 113 4.528 1.872 -11.936 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.219 2.052 -12.608 1.00 0.45 C ATOM 0 H THR A 113 5.115 -0.577 -12.036 1.00 0.29 H new ATOM 0 HA THR A 113 2.815 0.216 -10.677 1.00 0.31 H new ATOM 0 HB THR A 113 3.706 0.830 -13.527 1.00 0.41 H new ATOM 0 HG1 THR A 113 4.727 2.663 -12.479 1.00 0.47 H new ATOM 0 HG21 THR A 113 2.458 2.929 -13.210 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.395 1.509 -13.070 1.00 0.45 H new ATOM 0 HG23 THR A 113 1.929 2.368 -11.606 1.00 0.45 H new ATOM 1848 N GLY A 114 0.847 -0.920 -11.592 1.00 0.26 N ATOM 1849 CA GLY A 114 -0.350 -1.581 -12.075 1.00 0.27 C ATOM 1850 C GLY A 114 -0.180 -3.075 -12.229 1.00 0.28 C ATOM 1851 O GLY A 114 -0.824 -3.700 -13.071 1.00 0.38 O ATOM 0 H GLY A 114 0.754 -0.514 -10.661 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -1.171 -1.384 -11.385 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.632 -1.152 -13.037 1.00 0.27 H new ATOM 1855 N GLU A 115 0.692 -3.653 -11.424 1.00 0.26 N ATOM 1856 CA GLU A 115 0.872 -5.090 -11.417 1.00 0.27 C ATOM 1857 C GLU A 115 0.582 -5.636 -10.035 1.00 0.24 C ATOM 1858 O GLU A 115 1.099 -5.124 -9.045 1.00 0.23 O ATOM 1859 CB GLU A 115 2.301 -5.452 -11.817 1.00 0.30 C ATOM 1860 CG GLU A 115 2.545 -6.950 -11.920 1.00 0.38 C ATOM 1861 CD GLU A 115 3.995 -7.287 -12.194 1.00 1.07 C ATOM 1862 OE1 GLU A 115 4.661 -7.846 -11.297 1.00 1.93 O ATOM 1863 OE2 GLU A 115 4.478 -6.986 -13.302 1.00 1.19 O ATOM 0 H GLU A 115 1.286 -3.148 -10.767 1.00 0.26 H new ATOM 0 HA GLU A 115 0.182 -5.530 -12.137 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.529 -4.989 -12.777 1.00 0.30 H new ATOM 0 HB3 GLU A 115 2.992 -5.029 -11.087 1.00 0.30 H new ATOM 0 HG2 GLU A 115 2.234 -7.430 -10.992 1.00 0.38 H new ATOM 0 HG3 GLU A 115 1.924 -7.362 -12.715 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.283 -6.649 -9.941 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.488 -7.370 -8.693 1.00 0.26 C ATOM 1872 C PRO A 116 0.770 -8.144 -8.332 1.00 0.23 C ATOM 1873 O PRO A 116 1.135 -9.116 -8.999 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.655 -8.308 -9.009 1.00 0.33 C ATOM 1875 CG PRO A 116 -1.614 -8.472 -10.488 1.00 0.68 C ATOM 1876 CD PRO A 116 -1.132 -7.162 -11.027 1.00 0.34 C ATOM 0 HA PRO A 116 -0.700 -6.724 -7.841 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.543 -9.266 -8.501 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.605 -7.883 -8.683 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -0.944 -9.283 -10.774 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -2.600 -8.719 -10.882 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -0.570 -7.289 -11.953 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.959 -6.487 -11.246 1.00 0.34 H new ATOM 1884 N PHE A 117 1.426 -7.703 -7.280 1.00 0.20 N ATOM 1885 CA PHE A 117 2.723 -8.239 -6.912 1.00 0.21 C ATOM 1886 C PHE A 117 2.645 -8.911 -5.551 1.00 0.21 C ATOM 1887 O PHE A 117 1.932 -8.451 -4.661 1.00 0.19 O ATOM 1888 CB PHE A 117 3.756 -7.107 -6.913 1.00 0.23 C ATOM 1889 CG PHE A 117 5.190 -7.560 -6.910 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.162 -6.785 -6.304 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.569 -8.751 -7.516 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.484 -7.184 -6.301 1.00 0.35 C ATOM 1893 CE2 PHE A 117 6.888 -9.155 -7.514 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.846 -8.371 -6.908 1.00 0.41 C ATOM 0 H PHE A 117 1.081 -6.970 -6.660 1.00 0.20 H new ATOM 0 HA PHE A 117 3.030 -8.992 -7.637 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.589 -6.483 -7.791 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.586 -6.479 -6.038 1.00 0.23 H new ATOM 0 HD1 PHE A 117 5.884 -5.857 -5.827 1.00 0.29 H new ATOM 0 HD2 PHE A 117 4.822 -9.368 -7.994 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.234 -6.569 -5.825 1.00 0.35 H new ATOM 0 HE2 PHE A 117 7.170 -10.084 -7.987 1.00 0.40 H new ATOM 0 HZ PHE A 117 8.879 -8.685 -6.908 1.00 0.41 H new ATOM 1904 N VAL A 118 3.371 -10.011 -5.412 1.00 0.25 N ATOM 1905 CA VAL A 118 3.299 -10.851 -4.225 1.00 0.28 C ATOM 1906 C VAL A 118 3.657 -10.092 -2.946 1.00 0.26 C ATOM 1907 O VAL A 118 4.799 -9.669 -2.748 1.00 0.29 O ATOM 1908 CB VAL A 118 4.191 -12.108 -4.368 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.599 -11.743 -4.814 1.00 0.65 C ATOM 1910 CG2 VAL A 118 4.228 -12.892 -3.063 1.00 0.71 C ATOM 0 H VAL A 118 4.026 -10.346 -6.118 1.00 0.25 H new ATOM 0 HA VAL A 118 2.259 -11.167 -4.138 1.00 0.28 H new ATOM 0 HB VAL A 118 3.752 -12.740 -5.140 1.00 0.35 H new ATOM 0 HG11 VAL A 118 6.198 -12.649 -4.904 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.556 -11.239 -5.779 1.00 0.65 H new ATOM 0 HG13 VAL A 118 6.053 -11.079 -4.078 1.00 0.65 H new ATOM 0 HG21 VAL A 118 4.860 -13.772 -3.185 1.00 0.71 H new ATOM 0 HG22 VAL A 118 4.632 -12.261 -2.271 1.00 0.71 H new ATOM 0 HG23 VAL A 118 3.218 -13.205 -2.798 1.00 0.71 H new ATOM 1920 N VAL A 119 2.653 -9.922 -2.094 1.00 0.23 N ATOM 1921 CA VAL A 119 2.826 -9.283 -0.796 1.00 0.22 C ATOM 1922 C VAL A 119 2.554 -10.282 0.327 1.00 0.23 C ATOM 1923 O VAL A 119 2.977 -10.094 1.468 1.00 0.23 O ATOM 1924 CB VAL A 119 1.882 -8.070 -0.652 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.433 -8.495 -0.780 1.00 0.21 C ATOM 1926 CG2 VAL A 119 2.115 -7.358 0.669 1.00 0.22 C ATOM 0 H VAL A 119 1.697 -10.223 -2.284 1.00 0.23 H new ATOM 0 HA VAL A 119 3.856 -8.935 -0.725 1.00 0.22 H new ATOM 0 HB VAL A 119 2.105 -7.373 -1.460 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.213 -7.623 -0.675 1.00 0.21 H new ATOM 0 HG12 VAL A 119 0.272 -8.950 -1.757 1.00 0.21 H new ATOM 0 HG13 VAL A 119 0.196 -9.218 0.000 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.439 -6.507 0.748 1.00 0.22 H new ATOM 0 HG22 VAL A 119 1.928 -8.048 1.492 1.00 0.22 H new ATOM 0 HG23 VAL A 119 3.146 -7.008 0.717 1.00 0.22 H new ATOM 1936 N GLN A 120 1.856 -11.356 -0.020 1.00 0.27 N ATOM 1937 CA GLN A 120 1.501 -12.392 0.940 1.00 0.33 C ATOM 1938 C GLN A 120 2.737 -12.997 1.590 1.00 0.45 C ATOM 1939 O GLN A 120 2.713 -13.396 2.755 1.00 1.35 O ATOM 1940 CB GLN A 120 0.702 -13.504 0.254 1.00 0.32 C ATOM 1941 CG GLN A 120 1.357 -14.031 -1.014 1.00 0.37 C ATOM 1942 CD GLN A 120 0.698 -15.287 -1.556 1.00 0.45 C ATOM 1943 OE1 GLN A 120 1.360 -16.123 -2.170 1.00 1.23 O ATOM 1944 NE2 GLN A 120 -0.600 -15.430 -1.347 1.00 1.21 N ATOM 0 H GLN A 120 1.522 -11.532 -0.968 1.00 0.27 H new ATOM 0 HA GLN A 120 0.893 -11.923 1.714 1.00 0.33 H new ATOM 0 HB2 GLN A 120 0.569 -14.329 0.954 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.292 -13.129 0.011 1.00 0.32 H new ATOM 0 HG2 GLN A 120 1.327 -13.255 -1.779 1.00 0.37 H new ATOM 0 HG3 GLN A 120 2.408 -14.239 -0.812 1.00 0.37 H new ATOM 0 HE21 GLN A 120 -1.116 -14.715 -0.833 1.00 1.21 H new ATOM 0 HE22 GLN A 120 -1.085 -16.255 -1.699 1.00 1.21 H new ATOM 1953 N ASP A 121 3.812 -13.059 0.831 1.00 0.72 N ATOM 1954 CA ASP A 121 5.026 -13.702 1.284 1.00 0.76 C ATOM 1955 C ASP A 121 6.187 -12.716 1.241 1.00 0.65 C ATOM 1956 O ASP A 121 7.064 -12.798 0.379 1.00 0.96 O ATOM 1957 CB ASP A 121 5.298 -14.938 0.418 1.00 0.96 C ATOM 1958 CG ASP A 121 6.559 -15.686 0.807 1.00 1.47 C ATOM 1959 OD1 ASP A 121 6.633 -16.197 1.943 1.00 1.55 O ATOM 1960 OD2 ASP A 121 7.474 -15.789 -0.037 1.00 2.35 O ATOM 0 H ASP A 121 3.868 -12.668 -0.110 1.00 0.72 H new ATOM 0 HA ASP A 121 4.912 -14.028 2.318 1.00 0.76 H new ATOM 0 HB2 ASP A 121 4.447 -15.616 0.489 1.00 0.96 H new ATOM 0 HB3 ASP A 121 5.375 -14.631 -0.625 1.00 0.96 H new ATOM 1965 N ILE A 122 6.148 -11.741 2.144 1.00 0.37 N ATOM 1966 CA ILE A 122 7.234 -10.791 2.289 1.00 0.29 C ATOM 1967 C ILE A 122 7.725 -10.764 3.729 1.00 0.24 C ATOM 1968 O ILE A 122 7.088 -11.311 4.628 1.00 0.32 O ATOM 1969 CB ILE A 122 6.827 -9.358 1.876 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.738 -8.798 2.801 1.00 0.26 C ATOM 1971 CG2 ILE A 122 6.362 -9.340 0.429 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.478 -7.313 2.609 1.00 0.31 C ATOM 0 H ILE A 122 5.370 -11.592 2.787 1.00 0.37 H new ATOM 0 HA ILE A 122 8.029 -11.125 1.622 1.00 0.29 H new ATOM 0 HB ILE A 122 7.703 -8.717 1.972 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.811 -9.345 2.629 1.00 0.26 H new ATOM 0 HG13 ILE A 122 6.026 -8.976 3.837 1.00 0.26 H new ATOM 0 HG21 ILE A 122 6.078 -8.325 0.151 1.00 0.36 H new ATOM 0 HG22 ILE A 122 7.171 -9.681 -0.217 1.00 0.36 H new ATOM 0 HG23 ILE A 122 5.503 -10.001 0.315 1.00 0.36 H new ATOM 0 HD11 ILE A 122 4.697 -6.989 3.296 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.392 -6.755 2.809 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.158 -7.129 1.583 1.00 0.31 H new ATOM 1984 N ASP A 123 8.874 -10.147 3.922 1.00 0.23 N ATOM 1985 CA ASP A 123 9.455 -9.964 5.240 1.00 0.25 C ATOM 1986 C ASP A 123 9.253 -8.539 5.705 1.00 0.25 C ATOM 1987 O ASP A 123 9.096 -8.272 6.892 1.00 0.29 O ATOM 1988 CB ASP A 123 10.946 -10.280 5.208 1.00 0.26 C ATOM 1989 CG ASP A 123 11.216 -11.768 5.254 1.00 0.32 C ATOM 1990 OD1 ASP A 123 11.222 -12.412 4.181 1.00 0.30 O ATOM 1991 OD2 ASP A 123 11.447 -12.302 6.358 1.00 0.50 O ATOM 0 H ASP A 123 9.435 -9.756 3.165 1.00 0.23 H new ATOM 0 HA ASP A 123 8.959 -10.643 5.933 1.00 0.25 H new ATOM 0 HB2 ASP A 123 11.385 -9.861 4.303 1.00 0.26 H new ATOM 0 HB3 ASP A 123 11.436 -9.797 6.053 1.00 0.26 H new ATOM 1996 N ALA A 124 9.278 -7.620 4.763 1.00 0.21 N ATOM 1997 CA ALA A 124 9.083 -6.222 5.070 1.00 0.21 C ATOM 1998 C ALA A 124 8.664 -5.461 3.824 1.00 0.19 C ATOM 1999 O ALA A 124 8.878 -5.922 2.705 1.00 0.19 O ATOM 2000 CB ALA A 124 10.360 -5.646 5.662 1.00 0.22 C ATOM 0 H ALA A 124 9.432 -7.819 3.775 1.00 0.21 H new ATOM 0 HA ALA A 124 8.285 -6.121 5.805 1.00 0.21 H new ATOM 0 HB1 ALA A 124 10.211 -4.591 5.893 1.00 0.22 H new ATOM 0 HB2 ALA A 124 10.613 -6.185 6.575 1.00 0.22 H new ATOM 0 HB3 ALA A 124 11.173 -5.748 4.943 1.00 0.22 H new ATOM 2006 N MET A 125 8.042 -4.318 4.027 1.00 0.19 N ATOM 2007 CA MET A 125 7.645 -3.450 2.931 1.00 0.16 C ATOM 2008 C MET A 125 7.945 -2.004 3.302 1.00 0.16 C ATOM 2009 O MET A 125 7.934 -1.651 4.481 1.00 0.18 O ATOM 2010 CB MET A 125 6.161 -3.661 2.599 1.00 0.24 C ATOM 2011 CG MET A 125 5.582 -2.666 1.600 1.00 0.31 C ATOM 2012 SD MET A 125 5.140 -1.074 2.322 1.00 1.16 S ATOM 2013 CE MET A 125 4.567 -0.219 0.861 1.00 0.73 C ATOM 0 H MET A 125 7.797 -3.963 4.951 1.00 0.19 H new ATOM 0 HA MET A 125 8.214 -3.697 2.035 1.00 0.16 H new ATOM 0 HB2 MET A 125 6.031 -4.669 2.204 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.585 -3.604 3.523 1.00 0.24 H new ATOM 0 HG2 MET A 125 6.308 -2.503 0.803 1.00 0.31 H new ATOM 0 HG3 MET A 125 4.696 -3.103 1.140 1.00 0.31 H new ATOM 0 HE1 MET A 125 3.855 0.555 1.148 1.00 0.73 H new ATOM 0 HE2 MET A 125 5.415 0.239 0.351 1.00 0.73 H new ATOM 0 HE3 MET A 125 4.081 -0.929 0.191 1.00 0.73 H new ATOM 2023 N SER A 126 8.266 -1.185 2.312 1.00 0.16 N ATOM 2024 CA SER A 126 8.585 0.222 2.561 1.00 0.18 C ATOM 2025 C SER A 126 8.289 1.094 1.345 1.00 0.22 C ATOM 2026 O SER A 126 8.193 0.597 0.218 1.00 0.29 O ATOM 2027 CB SER A 126 10.053 0.370 2.955 1.00 0.24 C ATOM 2028 OG SER A 126 10.335 -0.344 4.147 1.00 1.22 O ATOM 0 H SER A 126 8.314 -1.464 1.332 1.00 0.16 H new ATOM 0 HA SER A 126 7.950 0.560 3.380 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.688 0.003 2.149 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.291 1.425 3.094 1.00 0.24 H new ATOM 0 HG SER A 126 10.677 -1.234 3.922 1.00 1.22 H new ATOM 2034 N VAL A 127 8.142 2.397 1.588 1.00 0.21 N ATOM 2035 CA VAL A 127 7.850 3.357 0.530 1.00 0.23 C ATOM 2036 C VAL A 127 8.890 4.474 0.523 1.00 0.22 C ATOM 2037 O VAL A 127 8.937 5.285 1.450 1.00 0.19 O ATOM 2038 CB VAL A 127 6.462 4.004 0.722 1.00 0.23 C ATOM 2039 CG1 VAL A 127 5.973 4.618 -0.577 1.00 0.27 C ATOM 2040 CG2 VAL A 127 5.454 3.004 1.269 1.00 0.26 C ATOM 0 H VAL A 127 8.222 2.811 2.517 1.00 0.21 H new ATOM 0 HA VAL A 127 7.870 2.808 -0.412 1.00 0.23 H new ATOM 0 HB VAL A 127 6.563 4.801 1.459 1.00 0.23 H new ATOM 0 HG11 VAL A 127 4.993 5.069 -0.420 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.676 5.383 -0.905 1.00 0.27 H new ATOM 0 HG13 VAL A 127 5.898 3.843 -1.340 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.487 3.492 1.392 1.00 0.26 H new ATOM 0 HG22 VAL A 127 5.354 2.171 0.573 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.798 2.631 2.234 1.00 0.26 H new ATOM 2050 N LEU A 128 9.727 4.519 -0.508 1.00 0.28 N ATOM 2051 CA LEU A 128 10.724 5.582 -0.616 1.00 0.32 C ATOM 2052 C LEU A 128 10.279 6.601 -1.663 1.00 0.33 C ATOM 2053 O LEU A 128 9.756 6.225 -2.710 1.00 0.38 O ATOM 2054 CB LEU A 128 12.109 5.051 -1.023 1.00 0.43 C ATOM 2055 CG LEU A 128 12.704 3.871 -0.230 1.00 0.21 C ATOM 2056 CD1 LEU A 128 12.226 3.829 1.218 1.00 0.34 C ATOM 2057 CD2 LEU A 128 12.421 2.558 -0.936 1.00 0.42 C ATOM 0 H LEU A 128 9.737 3.843 -1.272 1.00 0.28 H new ATOM 0 HA LEU A 128 10.806 6.038 0.370 1.00 0.32 H new ATOM 0 HB2 LEU A 128 12.056 4.754 -2.070 1.00 0.43 H new ATOM 0 HB3 LEU A 128 12.813 5.881 -0.962 1.00 0.43 H new ATOM 0 HG LEU A 128 13.782 4.026 -0.193 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.678 2.977 1.726 1.00 0.34 H new ATOM 0 HD12 LEU A 128 12.517 4.750 1.724 1.00 0.34 H new ATOM 0 HD13 LEU A 128 11.141 3.730 1.240 1.00 0.34 H new ATOM 0 HD21 LEU A 128 12.849 1.736 -0.361 1.00 0.42 H new ATOM 0 HD22 LEU A 128 11.344 2.417 -1.024 1.00 0.42 H new ATOM 0 HD23 LEU A 128 12.867 2.576 -1.930 1.00 0.42 H new ATOM 2069 N PRO A 129 10.472 7.905 -1.405 1.00 0.35 N ATOM 2070 CA PRO A 129 10.152 8.947 -2.377 1.00 0.40 C ATOM 2071 C PRO A 129 11.257 9.135 -3.409 1.00 0.56 C ATOM 2072 O PRO A 129 12.391 9.458 -3.054 1.00 0.91 O ATOM 2073 CB PRO A 129 10.024 10.193 -1.515 1.00 0.47 C ATOM 2074 CG PRO A 129 10.955 9.957 -0.373 1.00 0.52 C ATOM 2075 CD PRO A 129 10.996 8.464 -0.149 1.00 0.41 C ATOM 0 HA PRO A 129 9.258 8.709 -2.954 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.298 11.090 -2.071 1.00 0.47 H new ATOM 0 HB3 PRO A 129 9.000 10.333 -1.169 1.00 0.47 H new ATOM 0 HG2 PRO A 129 11.949 10.342 -0.598 1.00 0.52 H new ATOM 0 HG3 PRO A 129 10.608 10.473 0.522 1.00 0.52 H new ATOM 0 HD2 PRO A 129 12.010 8.117 0.051 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.385 8.171 0.705 1.00 0.41 H new ATOM 2083 N LYS A 130 10.888 8.970 -4.680 1.00 0.43 N ATOM 2084 CA LYS A 130 11.806 9.081 -5.827 1.00 0.53 C ATOM 2085 C LYS A 130 13.062 8.217 -5.688 1.00 0.47 C ATOM 2086 O LYS A 130 13.181 7.176 -6.333 1.00 0.81 O ATOM 2087 CB LYS A 130 12.198 10.527 -6.099 1.00 0.74 C ATOM 2088 CG LYS A 130 11.214 11.237 -7.008 1.00 0.83 C ATOM 2089 CD LYS A 130 10.601 12.440 -6.332 1.00 1.76 C ATOM 2090 CE LYS A 130 9.849 12.052 -5.074 1.00 2.10 C ATOM 2091 NZ LYS A 130 9.331 13.247 -4.361 1.00 3.29 N ATOM 0 H LYS A 130 9.929 8.752 -4.951 1.00 0.43 H new ATOM 0 HA LYS A 130 11.245 8.699 -6.679 1.00 0.53 H new ATOM 0 HB2 LYS A 130 12.267 11.065 -5.153 1.00 0.74 H new ATOM 0 HB3 LYS A 130 13.189 10.552 -6.553 1.00 0.74 H new ATOM 0 HG2 LYS A 130 11.722 11.551 -7.920 1.00 0.83 H new ATOM 0 HG3 LYS A 130 10.426 10.544 -7.304 1.00 0.83 H new ATOM 0 HD2 LYS A 130 11.384 13.156 -6.082 1.00 1.76 H new ATOM 0 HD3 LYS A 130 9.922 12.939 -7.023 1.00 1.76 H new ATOM 0 HE2 LYS A 130 9.020 11.393 -5.333 1.00 2.10 H new ATOM 0 HE3 LYS A 130 10.509 11.490 -4.413 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 8.822 12.947 -3.505 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 10.125 13.863 -4.093 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 8.683 13.769 -4.984 1.00 3.29 H new ATOM 2105 N GLY A 131 14.006 8.673 -4.870 1.00 0.43 N ATOM 2106 CA GLY A 131 15.226 7.932 -4.635 1.00 0.39 C ATOM 2107 C GLY A 131 14.977 6.653 -3.866 1.00 0.33 C ATOM 2108 O GLY A 131 15.167 6.595 -2.650 1.00 0.44 O ATOM 0 H GLY A 131 13.943 9.555 -4.361 1.00 0.43 H new ATOM 0 HA2 GLY A 131 15.695 7.695 -5.590 1.00 0.39 H new ATOM 0 HA3 GLY A 131 15.928 8.556 -4.082 1.00 0.39 H new ATOM 2112 N SER A 132 14.540 5.635 -4.585 1.00 0.31 N ATOM 2113 CA SER A 132 14.248 4.338 -4.006 1.00 0.36 C ATOM 2114 C SER A 132 15.527 3.552 -3.753 1.00 0.39 C ATOM 2115 O SER A 132 15.488 2.449 -3.204 1.00 0.44 O ATOM 2116 CB SER A 132 13.314 3.559 -4.925 1.00 0.49 C ATOM 2117 OG SER A 132 13.870 3.419 -6.222 1.00 1.23 O ATOM 0 H SER A 132 14.377 5.686 -5.591 1.00 0.31 H new ATOM 0 HA SER A 132 13.755 4.491 -3.046 1.00 0.36 H new ATOM 0 HB2 SER A 132 13.121 2.574 -4.501 1.00 0.49 H new ATOM 0 HB3 SER A 132 12.354 4.071 -4.991 1.00 0.49 H new ATOM 0 HG SER A 132 13.949 2.468 -6.443 1.00 1.23 H new ATOM 2123 N SER A 133 16.654 4.126 -4.169 1.00 0.40 N ATOM 2124 CA SER A 133 17.953 3.469 -4.073 1.00 0.48 C ATOM 2125 C SER A 133 18.288 3.050 -2.640 1.00 0.45 C ATOM 2126 O SER A 133 19.185 2.237 -2.427 1.00 0.51 O ATOM 2127 CB SER A 133 19.037 4.388 -4.621 1.00 0.58 C ATOM 2128 OG SER A 133 18.712 4.817 -5.932 1.00 1.30 O ATOM 0 H SER A 133 16.691 5.058 -4.581 1.00 0.40 H new ATOM 0 HA SER A 133 17.906 2.558 -4.670 1.00 0.48 H new ATOM 0 HB2 SER A 133 19.152 5.253 -3.968 1.00 0.58 H new ATOM 0 HB3 SER A 133 19.994 3.866 -4.630 1.00 0.58 H new ATOM 0 HG SER A 133 19.418 5.408 -6.267 1.00 1.30 H new ATOM 2134 N SER A 134 17.566 3.607 -1.668 1.00 0.40 N ATOM 2135 CA SER A 134 17.659 3.168 -0.282 1.00 0.39 C ATOM 2136 C SER A 134 17.546 1.651 -0.193 1.00 0.34 C ATOM 2137 O SER A 134 18.322 0.995 0.502 1.00 0.39 O ATOM 2138 CB SER A 134 16.536 3.806 0.539 1.00 0.39 C ATOM 2139 OG SER A 134 16.544 5.219 0.415 1.00 0.44 O ATOM 0 H SER A 134 16.906 4.369 -1.820 1.00 0.40 H new ATOM 0 HA SER A 134 18.627 3.476 0.114 1.00 0.39 H new ATOM 0 HB2 SER A 134 15.574 3.415 0.208 1.00 0.39 H new ATOM 0 HB3 SER A 134 16.648 3.530 1.588 1.00 0.39 H new ATOM 0 HG SER A 134 16.326 5.625 1.280 1.00 0.44 H new ATOM 2145 N LEU A 135 16.569 1.110 -0.905 1.00 0.28 N ATOM 2146 CA LEU A 135 16.273 -0.310 -0.851 1.00 0.26 C ATOM 2147 C LEU A 135 16.457 -0.980 -2.219 1.00 0.28 C ATOM 2148 O LEU A 135 16.086 -2.132 -2.408 1.00 0.37 O ATOM 2149 CB LEU A 135 14.844 -0.483 -0.330 1.00 0.24 C ATOM 2150 CG LEU A 135 14.604 0.108 1.069 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.141 0.013 1.460 1.00 0.25 C ATOM 2152 CD2 LEU A 135 15.462 -0.599 2.093 1.00 0.29 C ATOM 0 H LEU A 135 15.964 1.640 -1.532 1.00 0.28 H new ATOM 0 HA LEU A 135 16.973 -0.802 -0.176 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.155 -0.015 -1.032 1.00 0.24 H new ATOM 0 HB3 LEU A 135 14.604 -1.546 -0.309 1.00 0.24 H new ATOM 0 HG LEU A 135 14.881 1.162 1.040 1.00 0.24 H new ATOM 0 HD11 LEU A 135 13.002 0.439 2.454 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.536 0.565 0.741 1.00 0.25 H new ATOM 0 HD13 LEU A 135 12.833 -1.033 1.467 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.281 -0.169 3.078 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.211 -1.660 2.108 1.00 0.29 H new ATOM 0 HD23 LEU A 135 16.513 -0.478 1.832 1.00 0.29 H new ATOM 2164 N LYS A 136 17.048 -0.261 -3.166 1.00 0.30 N ATOM 2165 CA LYS A 136 17.210 -0.778 -4.525 1.00 0.35 C ATOM 2166 C LYS A 136 18.549 -1.492 -4.685 1.00 0.37 C ATOM 2167 O LYS A 136 19.495 -0.937 -5.253 1.00 0.42 O ATOM 2168 CB LYS A 136 17.121 0.358 -5.547 1.00 0.40 C ATOM 2169 CG LYS A 136 17.092 -0.120 -6.991 1.00 0.46 C ATOM 2170 CD LYS A 136 17.356 1.020 -7.968 1.00 0.57 C ATOM 2171 CE LYS A 136 16.199 2.005 -8.032 1.00 0.98 C ATOM 2172 NZ LYS A 136 14.982 1.396 -8.638 1.00 1.66 N ATOM 0 H LYS A 136 17.422 0.677 -3.022 1.00 0.30 H new ATOM 0 HA LYS A 136 16.405 -1.491 -4.703 1.00 0.35 H new ATOM 0 HB2 LYS A 136 16.223 0.943 -5.349 1.00 0.40 H new ATOM 0 HB3 LYS A 136 17.973 1.025 -5.411 1.00 0.40 H new ATOM 0 HG2 LYS A 136 17.840 -0.900 -7.131 1.00 0.46 H new ATOM 0 HG3 LYS A 136 16.122 -0.567 -7.207 1.00 0.46 H new ATOM 0 HD2 LYS A 136 18.263 1.547 -7.671 1.00 0.57 H new ATOM 0 HD3 LYS A 136 17.536 0.610 -8.962 1.00 0.57 H new ATOM 0 HE2 LYS A 136 15.966 2.357 -7.027 1.00 0.98 H new ATOM 0 HE3 LYS A 136 16.497 2.877 -8.614 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 14.310 2.147 -8.897 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 15.249 0.861 -9.489 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 14.536 0.754 -7.952 1.00 1.66 H new ATOM 2186 N VAL A 137 18.640 -2.714 -4.191 1.00 0.37 N ATOM 2187 CA VAL A 137 19.860 -3.485 -4.324 1.00 0.42 C ATOM 2188 C VAL A 137 19.515 -4.943 -4.640 1.00 0.46 C ATOM 2189 O VAL A 137 18.340 -5.304 -4.648 1.00 0.51 O ATOM 2190 CB VAL A 137 20.724 -3.342 -3.042 1.00 0.41 C ATOM 2191 CG1 VAL A 137 19.934 -3.756 -1.817 1.00 0.34 C ATOM 2192 CG2 VAL A 137 22.034 -4.114 -3.132 1.00 0.51 C ATOM 0 H VAL A 137 17.886 -3.191 -3.696 1.00 0.37 H new ATOM 0 HA VAL A 137 20.455 -3.102 -5.153 1.00 0.42 H new ATOM 0 HB VAL A 137 20.987 -2.288 -2.950 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.557 -3.649 -0.929 1.00 0.34 H new ATOM 0 HG12 VAL A 137 19.053 -3.122 -1.721 1.00 0.34 H new ATOM 0 HG13 VAL A 137 19.623 -4.796 -1.919 1.00 0.34 H new ATOM 0 HG21 VAL A 137 22.599 -3.980 -2.210 1.00 0.51 H new ATOM 0 HG22 VAL A 137 21.823 -5.173 -3.277 1.00 0.51 H new ATOM 0 HG23 VAL A 137 22.619 -3.742 -3.973 1.00 0.51 H new ATOM 2202 N LYS A 138 20.508 -5.762 -4.945 1.00 0.50 N ATOM 2203 CA LYS A 138 20.270 -7.158 -5.286 1.00 0.57 C ATOM 2204 C LYS A 138 19.690 -7.908 -4.096 1.00 0.47 C ATOM 2205 O LYS A 138 18.699 -8.626 -4.213 1.00 0.53 O ATOM 2206 CB LYS A 138 21.561 -7.824 -5.736 1.00 0.69 C ATOM 2207 CG LYS A 138 22.254 -7.066 -6.845 1.00 1.22 C ATOM 2208 CD LYS A 138 23.389 -6.210 -6.304 1.00 1.34 C ATOM 2209 CE LYS A 138 24.035 -5.376 -7.392 1.00 1.59 C ATOM 2210 NZ LYS A 138 24.681 -6.221 -8.430 1.00 2.06 N ATOM 0 H LYS A 138 21.489 -5.485 -4.964 1.00 0.50 H new ATOM 0 HA LYS A 138 19.552 -7.189 -6.106 1.00 0.57 H new ATOM 0 HB2 LYS A 138 22.236 -7.911 -4.884 1.00 0.69 H new ATOM 0 HB3 LYS A 138 21.343 -8.837 -6.075 1.00 0.69 H new ATOM 0 HG2 LYS A 138 22.645 -7.770 -7.580 1.00 1.22 H new ATOM 0 HG3 LYS A 138 21.533 -6.433 -7.362 1.00 1.22 H new ATOM 0 HD2 LYS A 138 23.008 -5.554 -5.522 1.00 1.34 H new ATOM 0 HD3 LYS A 138 24.140 -6.852 -5.844 1.00 1.34 H new ATOM 0 HE2 LYS A 138 23.281 -4.741 -7.858 1.00 1.59 H new ATOM 0 HE3 LYS A 138 24.779 -4.714 -6.948 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 25.225 -5.618 -9.080 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 25.320 -6.903 -7.974 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 23.951 -6.734 -8.964 1.00 2.06 H new ATOM 2224 N THR A 139 20.300 -7.701 -2.941 1.00 0.37 N ATOM 2225 CA THR A 139 19.904 -8.391 -1.728 1.00 0.29 C ATOM 2226 C THR A 139 19.864 -7.429 -0.557 1.00 0.25 C ATOM 2227 O THR A 139 20.641 -6.476 -0.501 1.00 0.28 O ATOM 2228 CB THR A 139 20.852 -9.560 -1.406 1.00 0.31 C ATOM 2229 OG1 THR A 139 22.111 -9.372 -2.065 1.00 0.39 O ATOM 2230 CG2 THR A 139 20.232 -10.883 -1.824 1.00 0.39 C ATOM 0 H THR A 139 21.079 -7.054 -2.819 1.00 0.37 H new ATOM 0 HA THR A 139 18.906 -8.797 -1.896 1.00 0.29 H new ATOM 0 HB THR A 139 21.018 -9.583 -0.329 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.707 -10.120 -1.852 1.00 0.39 H new ATOM 0 HG21 THR A 139 20.918 -11.697 -1.588 1.00 0.39 H new ATOM 0 HG22 THR A 139 19.295 -11.031 -1.288 1.00 0.39 H new ATOM 0 HG23 THR A 139 20.038 -10.871 -2.897 1.00 0.39 H new ATOM 2238 N MET A 140 18.966 -7.685 0.377 1.00 0.26 N ATOM 2239 CA MET A 140 18.731 -6.773 1.477 1.00 0.32 C ATOM 2240 C MET A 140 18.262 -7.493 2.738 1.00 0.34 C ATOM 2241 O MET A 140 17.704 -8.589 2.673 1.00 0.38 O ATOM 2242 CB MET A 140 17.698 -5.738 1.080 1.00 0.38 C ATOM 2243 CG MET A 140 18.301 -4.389 0.787 1.00 0.60 C ATOM 2244 SD MET A 140 17.220 -3.055 1.260 1.00 0.78 S ATOM 2245 CE MET A 140 17.088 -3.420 3.000 1.00 0.40 C ATOM 0 H MET A 140 18.385 -8.523 0.393 1.00 0.26 H new ATOM 0 HA MET A 140 19.683 -6.291 1.702 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.160 -6.089 0.199 1.00 0.38 H new ATOM 0 HB3 MET A 140 16.966 -5.637 1.881 1.00 0.38 H new ATOM 0 HG2 MET A 140 19.248 -4.293 1.318 1.00 0.60 H new ATOM 0 HG3 MET A 140 18.523 -4.315 -0.278 1.00 0.60 H new ATOM 0 HE1 MET A 140 16.968 -2.492 3.558 1.00 0.40 H new ATOM 0 HE2 MET A 140 16.224 -4.061 3.173 1.00 0.40 H new ATOM 0 HE3 MET A 140 17.991 -3.931 3.334 1.00 0.40 H new ATOM 2255 N ALA A 141 18.517 -6.870 3.881 1.00 0.34 N ATOM 2256 CA ALA A 141 18.070 -7.375 5.173 1.00 0.38 C ATOM 2257 C ALA A 141 16.686 -6.841 5.525 1.00 0.34 C ATOM 2258 O ALA A 141 16.350 -5.701 5.202 1.00 0.36 O ATOM 2259 CB ALA A 141 19.062 -6.967 6.252 1.00 0.44 C ATOM 0 H ALA A 141 19.042 -5.997 3.939 1.00 0.34 H new ATOM 0 HA ALA A 141 18.013 -8.462 5.113 1.00 0.38 H new ATOM 0 HB1 ALA A 141 18.726 -7.346 7.217 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.043 -7.383 6.021 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.129 -5.880 6.292 1.00 0.44 H new ATOM 2265 N LYS A 142 15.902 -7.666 6.209 1.00 0.32 N ATOM 2266 CA LYS A 142 14.587 -7.267 6.704 1.00 0.30 C ATOM 2267 C LYS A 142 14.729 -6.176 7.758 1.00 0.26 C ATOM 2268 O LYS A 142 13.893 -5.280 7.860 1.00 0.24 O ATOM 2269 CB LYS A 142 13.851 -8.478 7.299 1.00 0.33 C ATOM 2270 CG LYS A 142 12.568 -8.125 8.035 1.00 0.32 C ATOM 2271 CD LYS A 142 11.903 -9.359 8.628 1.00 0.38 C ATOM 2272 CE LYS A 142 10.692 -8.990 9.464 1.00 0.49 C ATOM 2273 NZ LYS A 142 11.070 -8.504 10.816 1.00 1.11 N ATOM 0 H LYS A 142 16.157 -8.627 6.436 1.00 0.32 H new ATOM 0 HA LYS A 142 14.006 -6.877 5.868 1.00 0.30 H new ATOM 0 HB2 LYS A 142 13.616 -9.177 6.496 1.00 0.33 H new ATOM 0 HB3 LYS A 142 14.521 -8.995 7.986 1.00 0.33 H new ATOM 0 HG2 LYS A 142 12.788 -7.413 8.830 1.00 0.32 H new ATOM 0 HG3 LYS A 142 11.878 -7.634 7.349 1.00 0.32 H new ATOM 0 HD2 LYS A 142 11.601 -10.032 7.826 1.00 0.38 H new ATOM 0 HD3 LYS A 142 12.621 -9.900 9.244 1.00 0.38 H new ATOM 0 HE2 LYS A 142 10.119 -8.219 8.950 1.00 0.49 H new ATOM 0 HE3 LYS A 142 10.041 -9.859 9.561 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 10.211 -8.264 11.351 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 11.594 -9.248 11.318 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 11.670 -7.659 10.726 1.00 1.11 H new ATOM 2287 N ASP A 143 15.820 -6.246 8.509 1.00 0.29 N ATOM 2288 CA ASP A 143 16.070 -5.319 9.606 1.00 0.31 C ATOM 2289 C ASP A 143 16.409 -3.943 9.057 1.00 0.28 C ATOM 2290 O ASP A 143 15.968 -2.917 9.577 1.00 0.29 O ATOM 2291 CB ASP A 143 17.222 -5.834 10.471 1.00 0.37 C ATOM 2292 CG ASP A 143 17.509 -4.936 11.660 1.00 0.49 C ATOM 2293 OD1 ASP A 143 16.930 -5.172 12.740 1.00 0.66 O ATOM 2294 OD2 ASP A 143 18.320 -3.995 11.522 1.00 0.52 O ATOM 0 H ASP A 143 16.553 -6.943 8.377 1.00 0.29 H new ATOM 0 HA ASP A 143 15.171 -5.244 10.218 1.00 0.31 H new ATOM 0 HB2 ASP A 143 16.983 -6.836 10.827 1.00 0.37 H new ATOM 0 HB3 ASP A 143 18.120 -5.918 9.860 1.00 0.37 H new ATOM 2299 N MET A 144 17.181 -3.943 7.986 1.00 0.29 N ATOM 2300 CA MET A 144 17.580 -2.718 7.321 1.00 0.30 C ATOM 2301 C MET A 144 16.417 -2.134 6.537 1.00 0.24 C ATOM 2302 O MET A 144 16.224 -0.923 6.515 1.00 0.25 O ATOM 2303 CB MET A 144 18.749 -2.994 6.381 1.00 0.35 C ATOM 2304 CG MET A 144 19.026 -1.857 5.405 1.00 0.36 C ATOM 2305 SD MET A 144 20.220 -2.297 4.128 1.00 0.48 S ATOM 2306 CE MET A 144 19.992 -0.941 2.977 1.00 0.43 C ATOM 0 H MET A 144 17.548 -4.791 7.554 1.00 0.29 H new ATOM 0 HA MET A 144 17.888 -1.997 8.078 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.645 -3.180 6.973 1.00 0.35 H new ATOM 0 HB3 MET A 144 18.545 -3.904 5.817 1.00 0.35 H new ATOM 0 HG2 MET A 144 18.091 -1.556 4.932 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.396 -0.993 5.958 1.00 0.36 H new ATOM 0 HE1 MET A 144 20.767 -0.979 2.212 1.00 0.43 H new ATOM 0 HE2 MET A 144 19.013 -1.025 2.506 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.057 0.006 3.513 1.00 0.43 H new ATOM 2316 N PHE A 145 15.642 -3.012 5.913 1.00 0.21 N ATOM 2317 CA PHE A 145 14.555 -2.607 5.029 1.00 0.17 C ATOM 2318 C PHE A 145 13.602 -1.650 5.733 1.00 0.15 C ATOM 2319 O PHE A 145 13.360 -0.539 5.261 1.00 0.16 O ATOM 2320 CB PHE A 145 13.798 -3.841 4.546 1.00 0.19 C ATOM 2321 CG PHE A 145 12.991 -3.594 3.311 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.650 -3.292 3.396 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.583 -3.665 2.062 1.00 0.18 C ATOM 2324 CE1 PHE A 145 10.910 -3.068 2.257 1.00 0.30 C ATOM 2325 CE2 PHE A 145 12.846 -3.442 0.922 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.506 -3.143 1.020 1.00 0.29 C ATOM 0 H PHE A 145 15.748 -4.022 6.005 1.00 0.21 H new ATOM 0 HA PHE A 145 14.984 -2.086 4.173 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.510 -4.643 4.352 1.00 0.19 H new ATOM 0 HB3 PHE A 145 13.137 -4.187 5.340 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.175 -3.230 4.364 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.635 -3.898 1.981 1.00 0.18 H new ATOM 0 HE1 PHE A 145 9.859 -2.833 2.335 1.00 0.30 H new ATOM 0 HE2 PHE A 145 13.318 -3.501 -0.048 1.00 0.23 H new ATOM 0 HZ PHE A 145 10.924 -2.968 0.127 1.00 0.29 H new ATOM 2336 N VAL A 146 13.088 -2.079 6.875 1.00 0.15 N ATOM 2337 CA VAL A 146 12.159 -1.264 7.639 1.00 0.14 C ATOM 2338 C VAL A 146 12.816 0.030 8.131 1.00 0.15 C ATOM 2339 O VAL A 146 12.220 1.104 8.056 1.00 0.16 O ATOM 2340 CB VAL A 146 11.545 -2.046 8.826 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.560 -2.973 9.473 1.00 0.19 C ATOM 2342 CG2 VAL A 146 10.989 -1.084 9.856 1.00 0.17 C ATOM 0 H VAL A 146 13.299 -2.986 7.292 1.00 0.15 H new ATOM 0 HA VAL A 146 11.349 -0.997 6.961 1.00 0.14 H new ATOM 0 HB VAL A 146 10.735 -2.661 8.433 1.00 0.16 H new ATOM 0 HG11 VAL A 146 12.091 -3.504 10.302 1.00 0.19 H new ATOM 0 HG12 VAL A 146 12.917 -3.693 8.736 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.401 -2.388 9.846 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.560 -1.647 10.685 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.790 -0.445 10.227 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.216 -0.467 9.398 1.00 0.17 H new ATOM 2352 N SER A 147 14.042 -0.064 8.608 1.00 0.18 N ATOM 2353 CA SER A 147 14.738 1.103 9.123 1.00 0.21 C ATOM 2354 C SER A 147 14.999 2.113 8.000 1.00 0.21 C ATOM 2355 O SER A 147 14.851 3.323 8.192 1.00 0.24 O ATOM 2356 CB SER A 147 16.040 0.671 9.795 1.00 0.25 C ATOM 2357 OG SER A 147 16.689 1.763 10.425 1.00 0.85 O ATOM 0 H SER A 147 14.576 -0.932 8.650 1.00 0.18 H new ATOM 0 HA SER A 147 14.112 1.594 9.868 1.00 0.21 H new ATOM 0 HB2 SER A 147 15.830 -0.103 10.533 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.705 0.231 9.052 1.00 0.25 H new ATOM 0 HG SER A 147 17.517 1.452 10.846 1.00 0.85 H new ATOM 2363 N ARG A 148 15.364 1.601 6.832 1.00 0.20 N ATOM 2364 CA ARG A 148 15.568 2.417 5.642 1.00 0.21 C ATOM 2365 C ARG A 148 14.273 3.091 5.201 1.00 0.19 C ATOM 2366 O ARG A 148 14.251 4.275 4.884 1.00 0.27 O ATOM 2367 CB ARG A 148 16.073 1.539 4.503 1.00 0.23 C ATOM 2368 CG ARG A 148 17.575 1.327 4.449 1.00 0.29 C ATOM 2369 CD ARG A 148 18.320 2.583 4.016 1.00 0.43 C ATOM 2370 NE ARG A 148 18.432 3.575 5.090 1.00 1.22 N ATOM 2371 CZ ARG A 148 18.543 4.890 4.883 1.00 1.53 C ATOM 2372 NH1 ARG A 148 18.454 5.384 3.655 1.00 1.19 N ATOM 2373 NH2 ARG A 148 18.724 5.713 5.908 1.00 2.48 N ATOM 0 H ARG A 148 15.527 0.605 6.683 1.00 0.20 H new ATOM 0 HA ARG A 148 16.299 3.188 5.886 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.590 0.565 4.579 1.00 0.23 H new ATOM 0 HB3 ARG A 148 15.753 1.981 3.559 1.00 0.23 H new ATOM 0 HG2 ARG A 148 17.931 1.016 5.431 1.00 0.29 H new ATOM 0 HG3 ARG A 148 17.801 0.516 3.756 1.00 0.29 H new ATOM 0 HD2 ARG A 148 19.318 2.309 3.675 1.00 0.43 H new ATOM 0 HD3 ARG A 148 17.805 3.031 3.166 1.00 0.43 H new ATOM 0 HE ARG A 148 18.425 3.241 6.054 1.00 1.22 H new ATOM 0 HH11 ARG A 148 18.300 4.759 2.864 1.00 1.19 H new ATOM 0 HH12 ARG A 148 18.539 6.389 3.502 1.00 1.19 H new ATOM 0 HH21 ARG A 148 18.779 5.342 6.857 1.00 2.48 H new ATOM 0 HH22 ARG A 148 18.808 6.717 5.747 1.00 2.48 H new ATOM 2387 N GLY A 149 13.196 2.326 5.171 1.00 0.14 N ATOM 2388 CA GLY A 149 11.929 2.860 4.736 1.00 0.13 C ATOM 2389 C GLY A 149 11.368 3.872 5.709 1.00 0.15 C ATOM 2390 O GLY A 149 10.841 4.901 5.299 1.00 0.17 O ATOM 0 H GLY A 149 13.178 1.343 5.441 1.00 0.14 H new ATOM 0 HA2 GLY A 149 12.051 3.328 3.759 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.217 2.044 4.613 1.00 0.13 H new ATOM 2394 N ASN A 150 11.490 3.584 6.999 1.00 0.17 N ATOM 2395 CA ASN A 150 10.948 4.455 8.036 1.00 0.22 C ATOM 2396 C ASN A 150 11.575 5.849 7.996 1.00 0.23 C ATOM 2397 O ASN A 150 10.889 6.844 8.222 1.00 0.26 O ATOM 2398 CB ASN A 150 11.140 3.835 9.424 1.00 0.32 C ATOM 2399 CG ASN A 150 10.541 4.688 10.527 1.00 0.46 C ATOM 2400 OD1 ASN A 150 11.228 5.504 11.139 1.00 1.42 O ATOM 2401 ND2 ASN A 150 9.251 4.516 10.776 1.00 0.93 N ATOM 0 H ASN A 150 11.961 2.751 7.353 1.00 0.17 H new ATOM 0 HA ASN A 150 9.881 4.561 7.838 1.00 0.22 H new ATOM 0 HB2 ASN A 150 10.682 2.846 9.444 1.00 0.32 H new ATOM 0 HB3 ASN A 150 12.205 3.697 9.613 1.00 0.32 H new ATOM 0 HD21 ASN A 150 8.793 5.071 11.498 1.00 0.93 H new ATOM 0 HD22 ASN A 150 8.716 3.828 10.245 1.00 0.93 H new ATOM 2408 N THR A 151 12.873 5.931 7.706 1.00 0.23 N ATOM 2409 CA THR A 151 13.538 7.226 7.612 1.00 0.27 C ATOM 2410 C THR A 151 13.112 7.952 6.335 1.00 0.27 C ATOM 2411 O THR A 151 13.052 9.183 6.300 1.00 0.33 O ATOM 2412 CB THR A 151 15.082 7.105 7.690 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.702 8.374 7.447 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.615 6.092 6.698 1.00 0.27 C ATOM 0 H THR A 151 13.477 5.127 7.534 1.00 0.23 H new ATOM 0 HA THR A 151 13.225 7.814 8.475 1.00 0.27 H new ATOM 0 HB THR A 151 15.325 6.766 8.697 1.00 0.30 H new ATOM 0 HG1 THR A 151 16.676 8.278 7.502 1.00 0.40 H new ATOM 0 HG21 THR A 151 16.700 6.036 6.783 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.183 5.114 6.909 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.346 6.397 5.687 1.00 0.27 H new ATOM 2422 N GLU A 152 12.797 7.184 5.292 1.00 0.25 N ATOM 2423 CA GLU A 152 12.184 7.730 4.089 1.00 0.30 C ATOM 2424 C GLU A 152 10.709 8.052 4.347 1.00 0.28 C ATOM 2425 O GLU A 152 10.043 8.711 3.542 1.00 0.30 O ATOM 2426 CB GLU A 152 12.328 6.733 2.947 1.00 0.34 C ATOM 2427 CG GLU A 152 13.514 6.994 2.020 1.00 0.52 C ATOM 2428 CD GLU A 152 14.832 7.244 2.729 1.00 0.63 C ATOM 2429 OE1 GLU A 152 15.669 6.318 2.788 1.00 1.31 O ATOM 2430 OE2 GLU A 152 15.012 8.344 3.287 1.00 0.98 O ATOM 0 H GLU A 152 12.959 6.177 5.260 1.00 0.25 H new ATOM 0 HA GLU A 152 12.689 8.655 3.813 1.00 0.30 H new ATOM 0 HB2 GLU A 152 12.425 5.732 3.367 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.412 6.743 2.356 1.00 0.34 H new ATOM 0 HG2 GLU A 152 13.632 6.139 1.354 1.00 0.52 H new ATOM 0 HG3 GLU A 152 13.285 7.856 1.394 1.00 0.52 H new ATOM 2437 N GLY A 153 10.228 7.597 5.498 1.00 0.25 N ATOM 2438 CA GLY A 153 8.913 7.958 5.985 1.00 0.25 C ATOM 2439 C GLY A 153 7.885 6.834 5.972 1.00 0.21 C ATOM 2440 O GLY A 153 6.828 6.983 6.584 1.00 0.24 O ATOM 0 H GLY A 153 10.742 6.968 6.115 1.00 0.25 H new ATOM 0 HA2 GLY A 153 9.010 8.328 7.006 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.534 8.783 5.382 1.00 0.25 H new ATOM 2444 N ALA A 154 8.150 5.713 5.302 1.00 0.17 N ATOM 2445 CA ALA A 154 7.237 4.572 5.412 1.00 0.16 C ATOM 2446 C ALA A 154 7.947 3.231 5.409 1.00 0.14 C ATOM 2447 O ALA A 154 8.699 2.920 4.484 1.00 0.15 O ATOM 2448 CB ALA A 154 6.200 4.593 4.312 1.00 0.19 C ATOM 0 H ALA A 154 8.959 5.570 4.697 1.00 0.17 H new ATOM 0 HA ALA A 154 6.749 4.682 6.381 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.537 3.734 4.420 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.617 5.512 4.379 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.697 4.548 3.343 1.00 0.19 H new ATOM 2454 N SER A 155 7.678 2.431 6.425 1.00 0.15 N ATOM 2455 CA SER A 155 8.047 1.035 6.419 1.00 0.16 C ATOM 2456 C SER A 155 7.049 0.209 7.214 1.00 0.15 C ATOM 2457 O SER A 155 6.265 0.741 8.003 1.00 0.19 O ATOM 2458 CB SER A 155 9.431 0.854 6.998 1.00 0.23 C ATOM 2459 OG SER A 155 9.534 1.460 8.274 1.00 1.42 O ATOM 0 H SER A 155 7.199 2.734 7.273 1.00 0.15 H new ATOM 0 HA SER A 155 8.043 0.690 5.385 1.00 0.16 H new ATOM 0 HB2 SER A 155 9.659 -0.209 7.078 1.00 0.23 H new ATOM 0 HB3 SER A 155 10.170 1.289 6.325 1.00 0.23 H new ATOM 0 HG SER A 155 10.465 1.428 8.577 1.00 1.42 H new ATOM 2465 N ILE A 156 7.075 -1.090 6.986 1.00 0.14 N ATOM 2466 CA ILE A 156 6.212 -2.013 7.680 1.00 0.15 C ATOM 2467 C ILE A 156 6.854 -3.406 7.677 1.00 0.15 C ATOM 2468 O ILE A 156 7.134 -3.972 6.618 1.00 0.17 O ATOM 2469 CB ILE A 156 4.803 -2.014 7.039 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.848 -2.919 7.806 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.866 -2.418 5.575 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.411 -2.735 7.383 1.00 0.28 C ATOM 0 H ILE A 156 7.699 -1.532 6.311 1.00 0.14 H new ATOM 0 HA ILE A 156 6.088 -1.702 8.717 1.00 0.15 H new ATOM 0 HB ILE A 156 4.418 -0.996 7.093 1.00 0.18 H new ATOM 0 HG12 ILE A 156 4.138 -3.959 7.654 1.00 0.21 H new ATOM 0 HG13 ILE A 156 3.938 -2.715 8.873 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.862 -2.410 5.152 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.495 -1.714 5.030 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.286 -3.420 5.492 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.773 -3.404 7.961 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.109 -1.703 7.560 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.312 -2.965 6.322 1.00 0.28 H new ATOM 2484 N SER A 157 7.137 -3.936 8.854 1.00 0.16 N ATOM 2485 CA SER A 157 7.886 -5.179 8.957 1.00 0.19 C ATOM 2486 C SER A 157 7.001 -6.348 9.385 1.00 0.20 C ATOM 2487 O SER A 157 6.045 -6.173 10.144 1.00 0.34 O ATOM 2488 CB SER A 157 9.051 -4.996 9.935 1.00 0.34 C ATOM 2489 OG SER A 157 8.593 -4.578 11.211 1.00 1.44 O ATOM 0 H SER A 157 6.862 -3.529 9.748 1.00 0.16 H new ATOM 0 HA SER A 157 8.275 -5.422 7.968 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.598 -5.934 10.032 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.750 -4.259 9.538 1.00 0.34 H new ATOM 0 HG SER A 157 9.358 -4.471 11.814 1.00 1.44 H new ATOM 2495 N PHE A 158 7.308 -7.530 8.860 1.00 0.20 N ATOM 2496 CA PHE A 158 6.613 -8.753 9.244 1.00 0.32 C ATOM 2497 C PHE A 158 6.892 -9.096 10.702 1.00 0.74 C ATOM 2498 O PHE A 158 8.049 -9.433 11.027 1.00 1.33 O ATOM 2499 CB PHE A 158 7.041 -9.921 8.352 1.00 0.97 C ATOM 2500 CG PHE A 158 5.928 -10.477 7.509 1.00 1.03 C ATOM 2501 CD1 PHE A 158 5.275 -9.682 6.581 1.00 0.97 C ATOM 2502 CD2 PHE A 158 5.541 -11.799 7.642 1.00 1.42 C ATOM 2503 CE1 PHE A 158 4.253 -10.199 5.803 1.00 1.38 C ATOM 2504 CE2 PHE A 158 4.522 -12.318 6.868 1.00 1.81 C ATOM 2505 CZ PHE A 158 3.878 -11.517 5.947 1.00 1.81 C ATOM 2506 OXT PHE A 158 5.947 -9.045 11.513 1.00 1.62 O ATOM 0 H PHE A 158 8.039 -7.667 8.162 1.00 0.20 H new ATOM 0 HA PHE A 158 5.544 -8.583 9.118 1.00 0.32 H new ATOM 0 HB2 PHE A 158 7.849 -9.591 7.699 1.00 0.97 H new ATOM 0 HB3 PHE A 158 7.443 -10.717 8.979 1.00 0.97 H new ATOM 0 HD1 PHE A 158 5.566 -8.649 6.463 1.00 0.97 H new ATOM 0 HD2 PHE A 158 6.042 -12.432 8.359 1.00 1.42 H new ATOM 0 HE1 PHE A 158 3.750 -9.570 5.084 1.00 1.38 H new ATOM 0 HE2 PHE A 158 4.229 -13.351 6.983 1.00 1.81 H new ATOM 0 HZ PHE A 158 3.082 -11.922 5.340 1.00 1.81 H new TER 2516 PHE A 158