USER MOD reduce.3.24.130724 H: found=0, std=0, add=1367, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1367 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 110 TYR OH : rot 180:sc= -1.28 USER MOD Set 1.2: A 122 GLN : amide:sc= -4.61! C(o=-5.9!,f=-11!) USER MOD Set 2.1: A 34 SER OG : rot 180:sc= 0.042 USER MOD Set 2.2: A 85 THR OG1 : rot 47:sc= 1.82 USER MOD Set 3.1: A 10 SER OG : rot 31:sc= 0.222 USER MOD Set 3.2: A 111 ASN : amide:sc= 1.33 K(o=3.7,f=-7.1!) USER MOD Set 3.3: A 113 LYS NZ :NH3+ -119:sc= 2.16 (180deg=0.0257) USER MOD Set 4.1: A 3 GLN : amide:sc= -0.634 K(o=0.56,f=-11!) USER MOD Set 4.2: A 151 LYS NZ :NH3+ 125:sc= 1.19 (180deg=0) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.273 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00201 (180deg=-0.13) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -123:sc= 0.369 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 0.219 (180deg=0.212) USER MOD Single : A 25 GLN : amide:sc= -0.0338 K(o=-0.034,f=-0.57) USER MOD Single : A 33 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc=-0.00415 F(o=-2!,f=-0.0041) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0.222 (180deg=0.177) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= -0.0126 (180deg=-0.163) USER MOD Single : A 51 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 57 THR OG1 : rot 29:sc= 0.211 USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= 1.12 (180deg=-0.658) USER MOD Single : A 67 ASN : amide:sc= 1.12 K(o=1.1,f=-0.006) USER MOD Single : A 75 TYR OH : rot -132:sc= 0.576 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.143 F(o=-0.79,f=-0.14) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 89 LYS NZ :NH3+ 151:sc= 1.25 (180deg=1.13) USER MOD Single : A 93 LYS NZ :NH3+ -146:sc= 1.09 (180deg=0.671) USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 0.89 (180deg=0.744) USER MOD Single : A 112 ASN : amide:sc= 0.573 K(o=0.57,f=-5.5!) USER MOD Single : A 119 LYS NZ :NH3+ 165:sc= -0.0506 (180deg=-0.323) USER MOD Single : A 123 GLN :FLIP amide:sc= -1.11 F(o=-2.4!,f=-1.1) USER MOD Single : A 127 SER OG : rot 70:sc= 0.408 USER MOD Single : A 134 THR OG1 : rot 39:sc= 0.325 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -163:sc= -0.0153 (180deg=-0.186) USER MOD Single : A 144 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.13) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 157 HIS : no HE2:sc= -0.0405 X(o=-0.04,f=-0.48) USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 159 HIS : no HD1:sc= -0.513 K(o=-0.51,f=-1.3) USER MOD Single : A 160 HIS : +bothHN:sc= 0.0416 K(o=0.042,f=-11!) USER MOD Single : A 161 HIS : no HD1:sc= -0.325 X(o=-0.33,f=-0.097) USER MOD Single : A 162 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=-0.0012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.369 -4.692 19.640 1.00 61.35 N ATOM 2 CA MET A 1 -0.681 -3.789 18.499 1.00 44.51 C ATOM 3 C MET A 1 -1.623 -4.462 17.491 1.00 15.53 C ATOM 4 O MET A 1 -1.607 -5.681 17.329 1.00 34.22 O ATOM 5 CB MET A 1 0.603 -3.389 17.761 1.00 51.54 C ATOM 6 CG MET A 1 1.639 -2.687 18.624 1.00 52.14 C ATOM 7 SD MET A 1 3.127 -2.266 17.690 1.00 34.24 S ATOM 8 CE MET A 1 3.626 -3.881 17.087 1.00 62.02 C ATOM 0 H1 MET A 1 0.126 -4.156 20.381 1.00 61.35 H new ATOM 0 H2 MET A 1 -1.253 -5.081 20.026 1.00 61.35 H new ATOM 0 H3 MET A 1 0.238 -5.470 19.311 1.00 61.35 H new ATOM 0 HA MET A 1 -1.168 -2.907 18.916 1.00 44.51 H new ATOM 0 HB2 MET A 1 1.053 -4.284 17.332 1.00 51.54 H new ATOM 0 HB3 MET A 1 0.339 -2.735 16.930 1.00 51.54 H new ATOM 0 HG2 MET A 1 1.206 -1.779 19.044 1.00 52.14 H new ATOM 0 HG3 MET A 1 1.907 -3.329 19.463 1.00 52.14 H new ATOM 0 HE1 MET A 1 4.688 -3.866 16.842 1.00 62.02 H new ATOM 0 HE2 MET A 1 3.442 -4.630 17.857 1.00 62.02 H new ATOM 0 HE3 MET A 1 3.051 -4.130 16.195 1.00 62.02 H new ATOM 20 N SER A 2 -2.427 -3.648 16.811 1.00 15.33 N ATOM 21 CA SER A 2 -3.253 -4.102 15.677 1.00 24.01 C ATOM 22 C SER A 2 -2.999 -3.194 14.469 1.00 62.04 C ATOM 23 O SER A 2 -3.929 -2.673 13.857 1.00 31.34 O ATOM 24 CB SER A 2 -4.750 -4.087 16.029 1.00 22.04 C ATOM 25 OG SER A 2 -5.035 -4.916 17.148 1.00 13.24 O ATOM 0 H SER A 2 -2.530 -2.656 17.024 1.00 15.33 H new ATOM 0 HA SER A 2 -2.974 -5.129 15.441 1.00 24.01 H new ATOM 0 HB2 SER A 2 -5.063 -3.065 16.244 1.00 22.04 H new ATOM 0 HB3 SER A 2 -5.329 -4.424 15.169 1.00 22.04 H new ATOM 0 HG SER A 2 -5.994 -4.881 17.345 1.00 13.24 H new ATOM 31 N GLN A 3 -1.722 -3.023 14.136 1.00 34.12 N ATOM 32 CA GLN A 3 -1.289 -2.073 13.101 1.00 25.45 C ATOM 33 C GLN A 3 -1.033 -2.763 11.750 1.00 73.25 C ATOM 34 O GLN A 3 -0.419 -3.826 11.693 1.00 64.04 O ATOM 35 CB GLN A 3 -0.020 -1.348 13.599 1.00 2.43 C ATOM 36 CG GLN A 3 0.650 -0.414 12.583 1.00 42.45 C ATOM 37 CD GLN A 3 1.940 -0.987 12.001 1.00 3.44 C ATOM 38 OE1 GLN A 3 3.028 -0.788 12.539 1.00 1.41 O ATOM 39 NE2 GLN A 3 1.838 -1.689 10.893 1.00 73.04 N ATOM 0 H GLN A 3 -0.955 -3.536 14.572 1.00 34.12 H new ATOM 0 HA GLN A 3 -2.089 -1.352 12.930 1.00 25.45 H new ATOM 0 HB2 GLN A 3 -0.279 -0.767 14.484 1.00 2.43 H new ATOM 0 HB3 GLN A 3 0.707 -2.098 13.911 1.00 2.43 H new ATOM 0 HG2 GLN A 3 -0.048 -0.210 11.771 1.00 42.45 H new ATOM 0 HG3 GLN A 3 0.868 0.540 13.064 1.00 42.45 H new ATOM 0 HE21 GLN A 3 0.924 -1.839 10.467 1.00 73.04 H new ATOM 0 HE22 GLN A 3 2.673 -2.083 10.460 1.00 73.04 H new ATOM 48 N ILE A 4 -1.481 -2.131 10.661 1.00 51.25 N ATOM 49 CA ILE A 4 -1.301 -2.685 9.307 1.00 15.24 C ATOM 50 C ILE A 4 -0.312 -1.839 8.484 1.00 34.34 C ATOM 51 O ILE A 4 -0.258 -0.616 8.619 1.00 1.41 O ATOM 52 CB ILE A 4 -2.654 -2.778 8.550 1.00 41.10 C ATOM 53 CG1 ILE A 4 -2.448 -3.353 7.132 1.00 43.13 C ATOM 54 CG2 ILE A 4 -3.336 -1.408 8.490 1.00 43.14 C ATOM 55 CD1 ILE A 4 -3.734 -3.585 6.362 1.00 1.12 C ATOM 0 H ILE A 4 -1.971 -1.237 10.686 1.00 51.25 H new ATOM 0 HA ILE A 4 -0.894 -3.689 9.427 1.00 15.24 H new ATOM 0 HB ILE A 4 -3.307 -3.457 9.099 1.00 41.10 H new ATOM 0 HG12 ILE A 4 -1.816 -2.671 6.564 1.00 43.13 H new ATOM 0 HG13 ILE A 4 -1.909 -4.297 7.210 1.00 43.13 H new ATOM 0 HG21 ILE A 4 -4.282 -1.496 7.956 1.00 43.14 H new ATOM 0 HG22 ILE A 4 -3.523 -1.050 9.502 1.00 43.14 H new ATOM 0 HG23 ILE A 4 -2.689 -0.702 7.969 1.00 43.14 H new ATOM 0 HD11 ILE A 4 -3.500 -3.990 5.377 1.00 1.12 H new ATOM 0 HD12 ILE A 4 -4.361 -4.292 6.905 1.00 1.12 H new ATOM 0 HD13 ILE A 4 -4.266 -2.640 6.249 1.00 1.12 H new ATOM 67 N PHE A 5 0.483 -2.505 7.650 1.00 52.11 N ATOM 68 CA PHE A 5 1.508 -1.837 6.842 1.00 54.35 C ATOM 69 C PHE A 5 1.004 -1.578 5.412 1.00 13.13 C ATOM 70 O PHE A 5 0.793 -2.514 4.636 1.00 40.45 O ATOM 71 CB PHE A 5 2.771 -2.711 6.819 1.00 24.43 C ATOM 72 CG PHE A 5 3.974 -2.071 6.169 1.00 43.23 C ATOM 73 CD1 PHE A 5 4.808 -1.230 6.894 1.00 34.10 C ATOM 74 CD2 PHE A 5 4.276 -2.315 4.839 1.00 11.02 C ATOM 75 CE1 PHE A 5 5.913 -0.647 6.303 1.00 22.21 C ATOM 76 CE2 PHE A 5 5.379 -1.735 4.244 1.00 21.53 C ATOM 77 CZ PHE A 5 6.199 -0.899 4.977 1.00 30.32 C ATOM 0 H PHE A 5 0.438 -3.515 7.513 1.00 52.11 H new ATOM 0 HA PHE A 5 1.739 -0.869 7.287 1.00 54.35 H new ATOM 0 HB2 PHE A 5 3.029 -2.979 7.844 1.00 24.43 H new ATOM 0 HB3 PHE A 5 2.544 -3.639 6.295 1.00 24.43 H new ATOM 0 HD1 PHE A 5 4.590 -1.029 7.933 1.00 34.10 H new ATOM 0 HD2 PHE A 5 3.640 -2.968 4.260 1.00 11.02 H new ATOM 0 HE1 PHE A 5 6.552 0.006 6.879 1.00 22.21 H new ATOM 0 HE2 PHE A 5 5.601 -1.935 3.206 1.00 21.53 H new ATOM 0 HZ PHE A 5 7.062 -0.444 4.513 1.00 30.32 H new ATOM 87 N VAL A 6 0.805 -0.306 5.068 1.00 44.14 N ATOM 88 CA VAL A 6 0.319 0.065 3.734 1.00 61.13 C ATOM 89 C VAL A 6 1.269 1.060 3.040 1.00 44.23 C ATOM 90 O VAL A 6 1.742 2.020 3.651 1.00 12.44 O ATOM 91 CB VAL A 6 -1.113 0.657 3.809 1.00 34.24 C ATOM 92 CG1 VAL A 6 -1.144 1.948 4.626 1.00 75.40 C ATOM 93 CG2 VAL A 6 -1.692 0.879 2.413 1.00 1.02 C ATOM 0 H VAL A 6 0.971 0.485 5.690 1.00 44.14 H new ATOM 0 HA VAL A 6 0.290 -0.847 3.137 1.00 61.13 H new ATOM 0 HB VAL A 6 -1.741 -0.072 4.321 1.00 34.24 H new ATOM 0 HG11 VAL A 6 -2.163 2.334 4.657 1.00 75.40 H new ATOM 0 HG12 VAL A 6 -0.802 1.745 5.641 1.00 75.40 H new ATOM 0 HG13 VAL A 6 -0.490 2.687 4.164 1.00 75.40 H new ATOM 0 HG21 VAL A 6 -2.696 1.294 2.497 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -1.057 1.573 1.862 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -1.736 -0.072 1.882 1.00 1.02 H new ATOM 103 N VAL A 7 1.547 0.812 1.761 1.00 70.44 N ATOM 104 CA VAL A 7 2.468 1.651 0.980 1.00 0.35 C ATOM 105 C VAL A 7 1.767 2.299 -0.222 1.00 22.52 C ATOM 106 O VAL A 7 1.264 1.609 -1.104 1.00 12.13 O ATOM 107 CB VAL A 7 3.680 0.828 0.464 1.00 32.33 C ATOM 108 CG1 VAL A 7 4.586 1.678 -0.426 1.00 33.23 C ATOM 109 CG2 VAL A 7 4.467 0.236 1.631 1.00 4.42 C ATOM 0 H VAL A 7 1.147 0.033 1.237 1.00 70.44 H new ATOM 0 HA VAL A 7 2.817 2.433 1.654 1.00 0.35 H new ATOM 0 HB VAL A 7 3.294 0.007 -0.140 1.00 32.33 H new ATOM 0 HG11 VAL A 7 5.426 1.075 -0.772 1.00 33.23 H new ATOM 0 HG12 VAL A 7 4.019 2.037 -1.285 1.00 33.23 H new ATOM 0 HG13 VAL A 7 4.961 2.529 0.143 1.00 33.23 H new ATOM 0 HG21 VAL A 7 5.311 -0.336 1.247 1.00 4.42 H new ATOM 0 HG22 VAL A 7 4.834 1.041 2.268 1.00 4.42 H new ATOM 0 HG23 VAL A 7 3.818 -0.420 2.212 1.00 4.42 H new ATOM 119 N PHE A 8 1.744 3.629 -0.255 1.00 13.45 N ATOM 120 CA PHE A 8 1.203 4.369 -1.402 1.00 22.15 C ATOM 121 C PHE A 8 2.342 4.891 -2.287 1.00 54.21 C ATOM 122 O PHE A 8 3.234 5.597 -1.814 1.00 15.43 O ATOM 123 CB PHE A 8 0.325 5.539 -0.928 1.00 31.24 C ATOM 124 CG PHE A 8 -0.951 5.104 -0.246 1.00 4.33 C ATOM 125 CD1 PHE A 8 -0.962 4.787 1.104 1.00 75.21 C ATOM 126 CD2 PHE A 8 -2.139 5.015 -0.959 1.00 32.02 C ATOM 127 CE1 PHE A 8 -2.129 4.390 1.728 1.00 0.24 C ATOM 128 CE2 PHE A 8 -3.309 4.619 -0.338 1.00 73.01 C ATOM 129 CZ PHE A 8 -3.304 4.306 1.006 1.00 51.43 C ATOM 0 H PHE A 8 2.093 4.221 0.499 1.00 13.45 H new ATOM 0 HA PHE A 8 0.586 3.687 -1.987 1.00 22.15 H new ATOM 0 HB2 PHE A 8 0.901 6.158 -0.240 1.00 31.24 H new ATOM 0 HB3 PHE A 8 0.074 6.163 -1.785 1.00 31.24 H new ATOM 0 HD1 PHE A 8 -0.047 4.851 1.675 1.00 75.21 H new ATOM 0 HD2 PHE A 8 -2.149 5.258 -2.011 1.00 32.02 H new ATOM 0 HE1 PHE A 8 -2.123 4.145 2.780 1.00 0.24 H new ATOM 0 HE2 PHE A 8 -4.226 4.555 -0.904 1.00 73.01 H new ATOM 0 HZ PHE A 8 -4.217 3.996 1.493 1.00 51.43 H new ATOM 139 N SER A 9 2.318 4.541 -3.568 1.00 11.00 N ATOM 140 CA SER A 9 3.389 4.941 -4.495 1.00 0.45 C ATOM 141 C SER A 9 2.843 5.324 -5.870 1.00 34.15 C ATOM 142 O SER A 9 1.948 4.670 -6.402 1.00 64.13 O ATOM 143 CB SER A 9 4.417 3.811 -4.655 1.00 21.24 C ATOM 144 OG SER A 9 5.414 4.156 -5.607 1.00 0.13 O ATOM 0 H SER A 9 1.577 3.985 -3.994 1.00 11.00 H new ATOM 0 HA SER A 9 3.870 5.818 -4.062 1.00 0.45 H new ATOM 0 HB2 SER A 9 4.885 3.603 -3.693 1.00 21.24 H new ATOM 0 HB3 SER A 9 3.912 2.897 -4.968 1.00 21.24 H new ATOM 0 HG SER A 9 5.438 3.479 -6.316 1.00 0.13 H new ATOM 150 N SER A 10 3.401 6.387 -6.442 1.00 3.12 N ATOM 151 CA SER A 10 3.048 6.827 -7.797 1.00 44.12 C ATOM 152 C SER A 10 3.979 6.196 -8.841 1.00 32.41 C ATOM 153 O SER A 10 3.886 6.488 -10.036 1.00 45.32 O ATOM 154 CB SER A 10 3.135 8.358 -7.896 1.00 34.23 C ATOM 155 OG SER A 10 4.451 8.828 -7.600 1.00 60.40 O ATOM 0 H SER A 10 4.106 6.967 -5.987 1.00 3.12 H new ATOM 0 HA SER A 10 2.027 6.505 -7.999 1.00 44.12 H new ATOM 0 HB2 SER A 10 2.851 8.675 -8.899 1.00 34.23 H new ATOM 0 HB3 SER A 10 2.422 8.809 -7.206 1.00 34.23 H new ATOM 0 HG SER A 10 5.108 8.153 -7.870 1.00 60.40 H new ATOM 161 N ASP A 11 4.881 5.331 -8.383 1.00 61.23 N ATOM 162 CA ASP A 11 5.890 4.718 -9.249 1.00 63.43 C ATOM 163 C ASP A 11 5.803 3.180 -9.218 1.00 61.33 C ATOM 164 O ASP A 11 6.278 2.539 -8.274 1.00 63.44 O ATOM 165 CB ASP A 11 7.281 5.179 -8.808 1.00 61.30 C ATOM 166 CG ASP A 11 7.436 6.690 -8.886 1.00 73.12 C ATOM 167 OD1 ASP A 11 6.947 7.394 -7.977 1.00 11.33 O ATOM 168 OD2 ASP A 11 8.040 7.178 -9.864 1.00 73.11 O ATOM 0 H ASP A 11 4.935 5.036 -7.408 1.00 61.23 H new ATOM 0 HA ASP A 11 5.704 5.035 -10.275 1.00 63.43 H new ATOM 0 HB2 ASP A 11 7.464 4.849 -7.786 1.00 61.30 H new ATOM 0 HB3 ASP A 11 8.035 4.705 -9.436 1.00 61.30 H new ATOM 173 N PRO A 12 5.198 2.564 -10.256 1.00 72.31 N ATOM 174 CA PRO A 12 5.038 1.098 -10.333 1.00 21.32 C ATOM 175 C PRO A 12 6.380 0.352 -10.382 1.00 11.54 C ATOM 176 O PRO A 12 6.500 -0.771 -9.893 1.00 24.12 O ATOM 177 CB PRO A 12 4.250 0.887 -11.638 1.00 54.14 C ATOM 178 CG PRO A 12 4.492 2.126 -12.434 1.00 44.13 C ATOM 179 CD PRO A 12 4.620 3.239 -11.433 1.00 0.23 C ATOM 0 HA PRO A 12 4.536 0.703 -9.450 1.00 21.32 H new ATOM 0 HB2 PRO A 12 4.596 0.001 -12.170 1.00 54.14 H new ATOM 0 HB3 PRO A 12 3.188 0.745 -11.440 1.00 54.14 H new ATOM 0 HG2 PRO A 12 5.397 2.034 -13.034 1.00 44.13 H new ATOM 0 HG3 PRO A 12 3.670 2.314 -13.124 1.00 44.13 H new ATOM 0 HD2 PRO A 12 5.266 4.037 -11.798 1.00 0.23 H new ATOM 0 HD3 PRO A 12 3.654 3.690 -11.205 1.00 0.23 H new ATOM 187 N GLU A 13 7.391 0.987 -10.969 1.00 32.33 N ATOM 188 CA GLU A 13 8.722 0.385 -11.079 1.00 65.21 C ATOM 189 C GLU A 13 9.378 0.198 -9.699 1.00 15.14 C ATOM 190 O GLU A 13 10.185 -0.708 -9.502 1.00 55.02 O ATOM 191 CB GLU A 13 9.615 1.241 -11.987 1.00 1.52 C ATOM 192 CG GLU A 13 9.059 1.408 -13.399 1.00 3.12 C ATOM 193 CD GLU A 13 10.029 2.105 -14.339 1.00 52.42 C ATOM 194 OE1 GLU A 13 10.909 1.419 -14.906 1.00 32.15 O ATOM 195 OE2 GLU A 13 9.918 3.337 -14.514 1.00 52.42 O ATOM 0 H GLU A 13 7.316 1.919 -11.377 1.00 32.33 H new ATOM 0 HA GLU A 13 8.606 -0.604 -11.522 1.00 65.21 H new ATOM 0 HB2 GLU A 13 9.743 2.225 -11.536 1.00 1.52 H new ATOM 0 HB3 GLU A 13 10.604 0.786 -12.045 1.00 1.52 H new ATOM 0 HG2 GLU A 13 8.810 0.427 -13.804 1.00 3.12 H new ATOM 0 HG3 GLU A 13 8.132 1.979 -13.354 1.00 3.12 H new ATOM 202 N ILE A 14 9.009 1.048 -8.742 1.00 13.12 N ATOM 203 CA ILE A 14 9.537 0.947 -7.377 1.00 5.00 C ATOM 204 C ILE A 14 8.878 -0.205 -6.600 1.00 21.13 C ATOM 205 O ILE A 14 9.551 -0.937 -5.869 1.00 30.12 O ATOM 206 CB ILE A 14 9.353 2.280 -6.597 1.00 41.42 C ATOM 207 CG1 ILE A 14 10.232 3.385 -7.215 1.00 15.21 C ATOM 208 CG2 ILE A 14 9.681 2.101 -5.112 1.00 14.14 C ATOM 209 CD1 ILE A 14 10.095 4.734 -6.534 1.00 32.32 C ATOM 0 H ILE A 14 8.349 1.813 -8.883 1.00 13.12 H new ATOM 0 HA ILE A 14 10.603 0.739 -7.467 1.00 5.00 H new ATOM 0 HB ILE A 14 8.307 2.578 -6.675 1.00 41.42 H new ATOM 0 HG12 ILE A 14 11.275 3.072 -7.172 1.00 15.21 H new ATOM 0 HG13 ILE A 14 9.975 3.493 -8.269 1.00 15.21 H new ATOM 0 HG21 ILE A 14 9.543 3.049 -4.592 1.00 14.14 H new ATOM 0 HG22 ILE A 14 9.018 1.351 -4.681 1.00 14.14 H new ATOM 0 HG23 ILE A 14 10.716 1.775 -5.005 1.00 14.14 H new ATOM 0 HD11 ILE A 14 10.745 5.458 -7.026 1.00 32.32 H new ATOM 0 HD12 ILE A 14 9.061 5.071 -6.600 1.00 32.32 H new ATOM 0 HD13 ILE A 14 10.381 4.643 -5.486 1.00 32.32 H new ATOM 221 N LEU A 15 7.562 -0.379 -6.769 1.00 13.34 N ATOM 222 CA LEU A 15 6.834 -1.425 -6.035 1.00 10.30 C ATOM 223 C LEU A 15 7.333 -2.827 -6.427 1.00 41.13 C ATOM 224 O LEU A 15 7.280 -3.750 -5.622 1.00 14.54 O ATOM 225 CB LEU A 15 5.306 -1.292 -6.231 1.00 63.04 C ATOM 226 CG LEU A 15 4.717 -1.802 -7.565 1.00 23.24 C ATOM 227 CD1 LEU A 15 4.426 -3.304 -7.506 1.00 24.03 C ATOM 228 CD2 LEU A 15 3.450 -1.031 -7.924 1.00 33.41 C ATOM 0 H LEU A 15 6.985 0.181 -7.397 1.00 13.34 H new ATOM 0 HA LEU A 15 7.038 -1.288 -4.973 1.00 10.30 H new ATOM 0 HB2 LEU A 15 4.814 -1.826 -5.418 1.00 63.04 H new ATOM 0 HB3 LEU A 15 5.043 -0.240 -6.126 1.00 63.04 H new ATOM 0 HG LEU A 15 5.462 -1.632 -8.342 1.00 23.24 H new ATOM 0 HD11 LEU A 15 4.012 -3.632 -8.460 1.00 24.03 H new ATOM 0 HD12 LEU A 15 5.350 -3.846 -7.305 1.00 24.03 H new ATOM 0 HD13 LEU A 15 3.708 -3.505 -6.711 1.00 24.03 H new ATOM 0 HD21 LEU A 15 3.051 -1.405 -8.867 1.00 33.41 H new ATOM 0 HD22 LEU A 15 2.708 -1.165 -7.137 1.00 33.41 H new ATOM 0 HD23 LEU A 15 3.685 0.029 -8.025 1.00 33.41 H new ATOM 240 N LYS A 16 7.819 -2.972 -7.663 1.00 35.21 N ATOM 241 CA LYS A 16 8.427 -4.233 -8.122 1.00 70.53 C ATOM 242 C LYS A 16 9.544 -4.680 -7.166 1.00 13.32 C ATOM 243 O LYS A 16 9.591 -5.832 -6.724 1.00 5.14 O ATOM 244 CB LYS A 16 9.007 -4.059 -9.535 1.00 43.53 C ATOM 245 CG LYS A 16 7.970 -3.767 -10.615 1.00 33.31 C ATOM 246 CD LYS A 16 8.630 -3.471 -11.961 1.00 74.12 C ATOM 247 CE LYS A 16 7.605 -3.181 -13.053 1.00 23.51 C ATOM 248 NZ LYS A 16 8.254 -2.922 -14.367 1.00 62.25 N ATOM 0 H LYS A 16 7.805 -2.234 -8.367 1.00 35.21 H new ATOM 0 HA LYS A 16 7.649 -4.996 -8.138 1.00 70.53 H new ATOM 0 HB2 LYS A 16 9.733 -3.246 -9.518 1.00 43.53 H new ATOM 0 HB3 LYS A 16 9.549 -4.965 -9.805 1.00 43.53 H new ATOM 0 HG2 LYS A 16 7.300 -4.620 -10.717 1.00 33.31 H new ATOM 0 HG3 LYS A 16 7.359 -2.916 -10.313 1.00 33.31 H new ATOM 0 HD2 LYS A 16 9.298 -2.616 -11.856 1.00 74.12 H new ATOM 0 HD3 LYS A 16 9.244 -4.321 -12.258 1.00 74.12 H new ATOM 0 HE2 LYS A 16 6.923 -4.026 -13.145 1.00 23.51 H new ATOM 0 HE3 LYS A 16 7.005 -2.317 -12.768 1.00 23.51 H new ATOM 0 HZ1 LYS A 16 7.524 -2.729 -15.083 1.00 62.25 H new ATOM 0 HZ2 LYS A 16 8.886 -2.100 -14.286 1.00 62.25 H new ATOM 0 HZ3 LYS A 16 8.806 -3.756 -14.652 1.00 62.25 H new ATOM 262 N GLU A 17 10.437 -3.746 -6.851 1.00 21.41 N ATOM 263 CA GLU A 17 11.542 -3.996 -5.925 1.00 44.53 C ATOM 264 C GLU A 17 11.026 -4.287 -4.510 1.00 11.22 C ATOM 265 O GLU A 17 11.540 -5.166 -3.814 1.00 20.42 O ATOM 266 CB GLU A 17 12.477 -2.784 -5.917 1.00 12.04 C ATOM 267 CG GLU A 17 13.054 -2.455 -7.292 1.00 44.13 C ATOM 268 CD GLU A 17 14.130 -3.434 -7.737 1.00 31.04 C ATOM 269 OE1 GLU A 17 13.792 -4.579 -8.109 1.00 33.13 O ATOM 270 OE2 GLU A 17 15.324 -3.064 -7.708 1.00 74.33 O ATOM 0 H GLU A 17 10.417 -2.798 -7.227 1.00 21.41 H new ATOM 0 HA GLU A 17 12.090 -4.877 -6.261 1.00 44.53 H new ATOM 0 HB2 GLU A 17 11.933 -1.917 -5.542 1.00 12.04 H new ATOM 0 HB3 GLU A 17 13.296 -2.971 -5.222 1.00 12.04 H new ATOM 0 HG2 GLU A 17 12.248 -2.451 -8.026 1.00 44.13 H new ATOM 0 HG3 GLU A 17 13.472 -1.449 -7.273 1.00 44.13 H new ATOM 277 N ILE A 18 10.005 -3.543 -4.091 1.00 10.23 N ATOM 278 CA ILE A 18 9.349 -3.785 -2.801 1.00 73.03 C ATOM 279 C ILE A 18 8.822 -5.229 -2.721 1.00 53.04 C ATOM 280 O ILE A 18 9.050 -5.935 -1.738 1.00 64.42 O ATOM 281 CB ILE A 18 8.176 -2.797 -2.574 1.00 1.11 C ATOM 282 CG1 ILE A 18 8.678 -1.342 -2.630 1.00 25.12 C ATOM 283 CG2 ILE A 18 7.472 -3.080 -1.244 1.00 21.13 C ATOM 284 CD1 ILE A 18 7.576 -0.313 -2.498 1.00 14.15 C ATOM 0 H ILE A 18 9.612 -2.767 -4.623 1.00 10.23 H new ATOM 0 HA ILE A 18 10.095 -3.629 -2.022 1.00 73.03 H new ATOM 0 HB ILE A 18 7.450 -2.940 -3.374 1.00 1.11 H new ATOM 0 HG12 ILE A 18 9.405 -1.187 -1.833 1.00 25.12 H new ATOM 0 HG13 ILE A 18 9.200 -1.183 -3.573 1.00 25.12 H new ATOM 0 HG21 ILE A 18 6.653 -2.374 -1.108 1.00 21.13 H new ATOM 0 HG22 ILE A 18 7.077 -4.096 -1.250 1.00 21.13 H new ATOM 0 HG23 ILE A 18 8.184 -2.972 -0.425 1.00 21.13 H new ATOM 0 HD11 ILE A 18 8.005 0.688 -2.546 1.00 14.15 H new ATOM 0 HD12 ILE A 18 6.860 -0.440 -3.310 1.00 14.15 H new ATOM 0 HD13 ILE A 18 7.068 -0.444 -1.542 1.00 14.15 H new ATOM 296 N VAL A 19 8.136 -5.661 -3.776 1.00 12.23 N ATOM 297 CA VAL A 19 7.591 -7.018 -3.857 1.00 34.11 C ATOM 298 C VAL A 19 8.685 -8.087 -3.715 1.00 74.51 C ATOM 299 O VAL A 19 8.541 -9.028 -2.934 1.00 53.13 O ATOM 300 CB VAL A 19 6.836 -7.243 -5.194 1.00 54.44 C ATOM 301 CG1 VAL A 19 6.389 -8.696 -5.336 1.00 3.31 C ATOM 302 CG2 VAL A 19 5.638 -6.301 -5.307 1.00 14.32 C ATOM 0 H VAL A 19 7.942 -5.086 -4.596 1.00 12.23 H new ATOM 0 HA VAL A 19 6.894 -7.118 -3.025 1.00 34.11 H new ATOM 0 HB VAL A 19 7.527 -7.020 -6.007 1.00 54.44 H new ATOM 0 HG11 VAL A 19 5.863 -8.824 -6.282 1.00 3.31 H new ATOM 0 HG12 VAL A 19 7.262 -9.349 -5.315 1.00 3.31 H new ATOM 0 HG13 VAL A 19 5.723 -8.954 -4.513 1.00 3.31 H new ATOM 0 HG21 VAL A 19 5.125 -6.477 -6.252 1.00 14.32 H new ATOM 0 HG22 VAL A 19 4.951 -6.485 -4.481 1.00 14.32 H new ATOM 0 HG23 VAL A 19 5.983 -5.268 -5.269 1.00 14.32 H new ATOM 312 N ARG A 20 9.785 -7.938 -4.464 1.00 52.33 N ATOM 313 CA ARG A 20 10.865 -8.932 -4.439 1.00 44.33 C ATOM 314 C ARG A 20 11.438 -9.078 -3.016 1.00 51.51 C ATOM 315 O ARG A 20 11.807 -10.176 -2.589 1.00 1.43 O ATOM 316 CB ARG A 20 11.976 -8.573 -5.448 1.00 33.15 C ATOM 317 CG ARG A 20 13.063 -7.640 -4.911 1.00 22.13 C ATOM 318 CD ARG A 20 14.093 -7.286 -5.987 1.00 34.23 C ATOM 319 NE ARG A 20 15.418 -7.044 -5.422 1.00 74.42 N ATOM 320 CZ ARG A 20 16.339 -6.310 -5.984 1.00 14.53 C ATOM 321 NH1 ARG A 20 16.087 -5.640 -7.057 1.00 14.11 N ATOM 322 NH2 ARG A 20 17.514 -6.233 -5.454 1.00 4.12 N ATOM 0 H ARG A 20 9.950 -7.148 -5.088 1.00 52.33 H new ATOM 0 HA ARG A 20 10.445 -9.893 -4.737 1.00 44.33 H new ATOM 0 HB2 ARG A 20 12.447 -9.495 -5.790 1.00 33.15 H new ATOM 0 HB3 ARG A 20 11.517 -8.107 -6.320 1.00 33.15 H new ATOM 0 HG2 ARG A 20 12.604 -6.726 -4.533 1.00 22.13 H new ATOM 0 HG3 ARG A 20 13.566 -8.115 -4.069 1.00 22.13 H new ATOM 0 HD2 ARG A 20 14.152 -8.097 -6.713 1.00 34.23 H new ATOM 0 HD3 ARG A 20 13.762 -6.399 -6.527 1.00 34.23 H new ATOM 0 HE ARG A 20 15.639 -7.479 -4.526 1.00 74.42 H new ATOM 0 HH11 ARG A 20 15.158 -5.680 -7.477 1.00 14.11 H new ATOM 0 HH12 ARG A 20 16.816 -5.070 -7.486 1.00 14.11 H new ATOM 0 HH21 ARG A 20 17.721 -6.746 -4.597 1.00 4.12 H new ATOM 0 HH22 ARG A 20 18.235 -5.660 -5.892 1.00 4.12 H new ATOM 336 N GLU A 21 11.500 -7.961 -2.289 1.00 34.45 N ATOM 337 CA GLU A 21 11.872 -7.974 -0.870 1.00 21.31 C ATOM 338 C GLU A 21 10.855 -8.776 -0.045 1.00 31.14 C ATOM 339 O GLU A 21 11.212 -9.722 0.655 1.00 51.32 O ATOM 340 CB GLU A 21 11.964 -6.538 -0.325 1.00 51.41 C ATOM 341 CG GLU A 21 13.144 -5.736 -0.868 1.00 34.43 C ATOM 342 CD GLU A 21 14.484 -6.259 -0.374 1.00 13.14 C ATOM 343 OE1 GLU A 21 14.812 -6.044 0.812 1.00 13.32 O ATOM 344 OE2 GLU A 21 15.215 -6.896 -1.159 1.00 53.33 O ATOM 0 H GLU A 21 11.297 -7.033 -2.659 1.00 34.45 H new ATOM 0 HA GLU A 21 12.848 -8.452 -0.784 1.00 21.31 H new ATOM 0 HB2 GLU A 21 11.040 -6.011 -0.564 1.00 51.41 H new ATOM 0 HB3 GLU A 21 12.036 -6.578 0.762 1.00 51.41 H new ATOM 0 HG2 GLU A 21 13.127 -5.764 -1.958 1.00 34.43 H new ATOM 0 HG3 GLU A 21 13.035 -4.692 -0.574 1.00 34.43 H new ATOM 351 N ILE A 22 9.586 -8.397 -0.154 1.00 71.41 N ATOM 352 CA ILE A 22 8.498 -9.053 0.585 1.00 12.31 C ATOM 353 C ILE A 22 8.511 -10.581 0.386 1.00 65.24 C ATOM 354 O ILE A 22 8.451 -11.346 1.354 1.00 31.50 O ATOM 355 CB ILE A 22 7.124 -8.487 0.145 1.00 23.42 C ATOM 356 CG1 ILE A 22 7.081 -6.963 0.350 1.00 10.41 C ATOM 357 CG2 ILE A 22 5.987 -9.162 0.910 1.00 0.02 C ATOM 358 CD1 ILE A 22 5.853 -6.302 -0.238 1.00 14.31 C ATOM 0 H ILE A 22 9.277 -7.631 -0.752 1.00 71.41 H new ATOM 0 HA ILE A 22 8.657 -8.845 1.643 1.00 12.31 H new ATOM 0 HB ILE A 22 6.992 -8.699 -0.916 1.00 23.42 H new ATOM 0 HG12 ILE A 22 7.122 -6.748 1.418 1.00 10.41 H new ATOM 0 HG13 ILE A 22 7.970 -6.520 -0.098 1.00 10.41 H new ATOM 0 HG21 ILE A 22 5.033 -8.748 0.584 1.00 0.02 H new ATOM 0 HG22 ILE A 22 6.003 -10.234 0.715 1.00 0.02 H new ATOM 0 HG23 ILE A 22 6.113 -8.986 1.978 1.00 0.02 H new ATOM 0 HD11 ILE A 22 5.894 -5.228 -0.054 1.00 14.31 H new ATOM 0 HD12 ILE A 22 5.821 -6.485 -1.312 1.00 14.31 H new ATOM 0 HD13 ILE A 22 4.959 -6.716 0.228 1.00 14.31 H new ATOM 370 N LYS A 23 8.612 -11.015 -0.872 1.00 53.12 N ATOM 371 CA LYS A 23 8.629 -12.444 -1.203 1.00 11.31 C ATOM 372 C LYS A 23 9.803 -13.180 -0.534 1.00 44.13 C ATOM 373 O LYS A 23 9.639 -14.291 -0.027 1.00 41.13 O ATOM 374 CB LYS A 23 8.696 -12.642 -2.725 1.00 22.30 C ATOM 375 CG LYS A 23 7.528 -12.025 -3.493 1.00 31.52 C ATOM 376 CD LYS A 23 6.171 -12.600 -3.074 1.00 53.21 C ATOM 377 CE LYS A 23 6.095 -14.119 -3.229 1.00 75.31 C ATOM 378 NZ LYS A 23 6.366 -14.566 -4.621 1.00 31.43 N ATOM 0 H LYS A 23 8.683 -10.397 -1.681 1.00 53.12 H new ATOM 0 HA LYS A 23 7.703 -12.871 -0.818 1.00 11.31 H new ATOM 0 HB2 LYS A 23 9.626 -12.211 -3.095 1.00 22.30 H new ATOM 0 HB3 LYS A 23 8.732 -13.710 -2.939 1.00 22.30 H new ATOM 0 HG2 LYS A 23 7.525 -10.947 -3.335 1.00 31.52 H new ATOM 0 HG3 LYS A 23 7.673 -12.190 -4.561 1.00 31.52 H new ATOM 0 HD2 LYS A 23 5.975 -12.336 -2.035 1.00 53.21 H new ATOM 0 HD3 LYS A 23 5.386 -12.139 -3.673 1.00 53.21 H new ATOM 0 HE2 LYS A 23 6.813 -14.586 -2.555 1.00 75.31 H new ATOM 0 HE3 LYS A 23 5.105 -14.462 -2.927 1.00 75.31 H new ATOM 0 HZ1 LYS A 23 6.285 -15.601 -4.675 1.00 31.43 H new ATOM 0 HZ2 LYS A 23 5.676 -14.131 -5.266 1.00 31.43 H new ATOM 0 HZ3 LYS A 23 7.327 -14.279 -4.897 1.00 31.43 H new ATOM 392 N ARG A 24 10.994 -12.569 -0.532 1.00 60.21 N ATOM 393 CA ARG A 24 12.169 -13.209 0.083 1.00 25.32 C ATOM 394 C ARG A 24 12.093 -13.160 1.619 1.00 23.03 C ATOM 395 O ARG A 24 12.661 -14.010 2.303 1.00 41.53 O ATOM 396 CB ARG A 24 13.482 -12.572 -0.408 1.00 1.21 C ATOM 397 CG ARG A 24 13.750 -11.169 0.127 1.00 41.44 C ATOM 398 CD ARG A 24 15.135 -10.669 -0.271 1.00 14.35 C ATOM 399 NE ARG A 24 15.442 -9.364 0.314 1.00 14.13 N ATOM 400 CZ ARG A 24 16.255 -9.181 1.321 1.00 23.13 C ATOM 401 NH1 ARG A 24 16.833 -10.187 1.897 1.00 1.25 N ATOM 402 NH2 ARG A 24 16.476 -7.985 1.759 1.00 4.24 N ATOM 0 H ARG A 24 11.171 -11.651 -0.940 1.00 60.21 H new ATOM 0 HA ARG A 24 12.163 -14.254 -0.228 1.00 25.32 H new ATOM 0 HB2 ARG A 24 14.312 -13.219 -0.124 1.00 1.21 H new ATOM 0 HB3 ARG A 24 13.466 -12.534 -1.497 1.00 1.21 H new ATOM 0 HG2 ARG A 24 12.992 -10.484 -0.253 1.00 41.44 H new ATOM 0 HG3 ARG A 24 13.662 -11.171 1.213 1.00 41.44 H new ATOM 0 HD2 ARG A 24 15.886 -11.393 0.046 1.00 14.35 H new ATOM 0 HD3 ARG A 24 15.197 -10.602 -1.357 1.00 14.35 H new ATOM 0 HE ARG A 24 14.992 -8.543 -0.090 1.00 14.13 H new ATOM 0 HH11 ARG A 24 16.656 -11.135 1.566 1.00 1.25 H new ATOM 0 HH12 ARG A 24 17.465 -10.031 2.682 1.00 1.25 H new ATOM 0 HH21 ARG A 24 16.017 -7.188 1.319 1.00 4.24 H new ATOM 0 HH22 ARG A 24 17.110 -7.839 2.545 1.00 4.24 H new ATOM 416 N GLN A 25 11.382 -12.165 2.155 1.00 13.43 N ATOM 417 CA GLN A 25 11.166 -12.063 3.606 1.00 42.55 C ATOM 418 C GLN A 25 10.170 -13.131 4.096 1.00 31.43 C ATOM 419 O GLN A 25 10.155 -13.487 5.276 1.00 73.13 O ATOM 420 CB GLN A 25 10.644 -10.662 3.977 1.00 52.44 C ATOM 421 CG GLN A 25 11.604 -9.519 3.643 1.00 73.54 C ATOM 422 CD GLN A 25 12.926 -9.601 4.388 1.00 35.43 C ATOM 423 OE1 GLN A 25 13.003 -10.120 5.496 1.00 2.14 O ATOM 424 NE2 GLN A 25 13.978 -9.075 3.793 1.00 3.52 N ATOM 0 H GLN A 25 10.946 -11.420 1.611 1.00 13.43 H new ATOM 0 HA GLN A 25 12.125 -12.231 4.095 1.00 42.55 H new ATOM 0 HB2 GLN A 25 9.701 -10.491 3.459 1.00 52.44 H new ATOM 0 HB3 GLN A 25 10.429 -10.639 5.045 1.00 52.44 H new ATOM 0 HG2 GLN A 25 11.800 -9.521 2.571 1.00 73.54 H new ATOM 0 HG3 GLN A 25 11.122 -8.570 3.878 1.00 73.54 H new ATOM 0 HE21 GLN A 25 13.883 -8.650 2.871 1.00 3.52 H new ATOM 0 HE22 GLN A 25 14.887 -9.093 4.255 1.00 3.52 H new ATOM 433 N GLY A 26 9.337 -13.629 3.181 1.00 32.11 N ATOM 434 CA GLY A 26 8.348 -14.647 3.527 1.00 12.13 C ATOM 435 C GLY A 26 6.983 -14.059 3.878 1.00 63.42 C ATOM 436 O GLY A 26 6.143 -14.731 4.483 1.00 3.51 O ATOM 0 H GLY A 26 9.328 -13.345 2.201 1.00 32.11 H new ATOM 0 HA2 GLY A 26 8.236 -15.336 2.690 1.00 12.13 H new ATOM 0 HA3 GLY A 26 8.715 -15.229 4.372 1.00 12.13 H new ATOM 440 N VAL A 27 6.760 -12.808 3.490 1.00 53.33 N ATOM 441 CA VAL A 27 5.496 -12.114 3.767 1.00 52.31 C ATOM 442 C VAL A 27 4.606 -12.066 2.511 1.00 33.43 C ATOM 443 O VAL A 27 5.106 -12.079 1.385 1.00 12.42 O ATOM 444 CB VAL A 27 5.761 -10.667 4.272 1.00 53.41 C ATOM 445 CG1 VAL A 27 4.458 -9.945 4.617 1.00 60.41 C ATOM 446 CG2 VAL A 27 6.707 -10.683 5.475 1.00 3.24 C ATOM 0 H VAL A 27 7.440 -12.246 2.979 1.00 53.33 H new ATOM 0 HA VAL A 27 4.977 -12.674 4.545 1.00 52.31 H new ATOM 0 HB VAL A 27 6.238 -10.115 3.462 1.00 53.41 H new ATOM 0 HG11 VAL A 27 4.682 -8.937 4.966 1.00 60.41 H new ATOM 0 HG12 VAL A 27 3.827 -9.890 3.730 1.00 60.41 H new ATOM 0 HG13 VAL A 27 3.935 -10.493 5.401 1.00 60.41 H new ATOM 0 HG21 VAL A 27 6.881 -9.662 5.815 1.00 3.24 H new ATOM 0 HG22 VAL A 27 6.259 -11.263 6.282 1.00 3.24 H new ATOM 0 HG23 VAL A 27 7.655 -11.136 5.186 1.00 3.24 H new ATOM 456 N ARG A 28 3.289 -12.024 2.705 1.00 54.03 N ATOM 457 CA ARG A 28 2.348 -11.932 1.584 1.00 54.22 C ATOM 458 C ARG A 28 2.116 -10.466 1.179 1.00 15.55 C ATOM 459 O ARG A 28 1.854 -9.604 2.022 1.00 52.44 O ATOM 460 CB ARG A 28 1.012 -12.598 1.946 1.00 52.20 C ATOM 461 CG ARG A 28 0.059 -12.757 0.761 1.00 42.22 C ATOM 462 CD ARG A 28 -1.222 -13.489 1.154 1.00 75.32 C ATOM 463 NE ARG A 28 -0.944 -14.772 1.800 1.00 14.40 N ATOM 464 CZ ARG A 28 -1.854 -15.657 2.102 1.00 33.22 C ATOM 465 NH1 ARG A 28 -3.090 -15.484 1.753 1.00 61.10 N ATOM 466 NH2 ARG A 28 -1.514 -16.738 2.726 1.00 63.25 N ATOM 0 H ARG A 28 2.848 -12.052 3.624 1.00 54.03 H new ATOM 0 HA ARG A 28 2.785 -12.458 0.735 1.00 54.22 H new ATOM 0 HB2 ARG A 28 1.211 -13.580 2.374 1.00 52.20 H new ATOM 0 HB3 ARG A 28 0.520 -12.007 2.719 1.00 52.20 H new ATOM 0 HG2 ARG A 28 -0.192 -11.774 0.363 1.00 42.22 H new ATOM 0 HG3 ARG A 28 0.560 -13.305 -0.037 1.00 42.22 H new ATOM 0 HD2 ARG A 28 -1.805 -12.862 1.829 1.00 75.32 H new ATOM 0 HD3 ARG A 28 -1.832 -13.655 0.266 1.00 75.32 H new ATOM 0 HE ARG A 28 0.026 -14.989 2.030 1.00 14.40 H new ATOM 0 HH11 ARG A 28 -3.362 -14.648 1.236 1.00 61.10 H new ATOM 0 HH12 ARG A 28 -3.791 -16.184 1.996 1.00 61.10 H new ATOM 0 HH21 ARG A 28 -0.539 -16.895 2.980 1.00 63.25 H new ATOM 0 HH22 ARG A 28 -2.221 -17.433 2.965 1.00 63.25 H new ATOM 480 N VAL A 29 2.210 -10.195 -0.118 1.00 54.23 N ATOM 481 CA VAL A 29 2.061 -8.835 -0.644 1.00 42.21 C ATOM 482 C VAL A 29 0.706 -8.635 -1.341 1.00 72.52 C ATOM 483 O VAL A 29 0.395 -9.305 -2.327 1.00 45.21 O ATOM 484 CB VAL A 29 3.214 -8.493 -1.626 1.00 50.02 C ATOM 485 CG1 VAL A 29 3.406 -9.599 -2.663 1.00 42.05 C ATOM 486 CG2 VAL A 29 2.972 -7.145 -2.310 1.00 64.14 C ATOM 0 H VAL A 29 2.390 -10.901 -0.832 1.00 54.23 H new ATOM 0 HA VAL A 29 2.105 -8.158 0.209 1.00 42.21 H new ATOM 0 HB VAL A 29 4.132 -8.418 -1.042 1.00 50.02 H new ATOM 0 HG11 VAL A 29 4.220 -9.330 -3.336 1.00 42.05 H new ATOM 0 HG12 VAL A 29 3.647 -10.534 -2.157 1.00 42.05 H new ATOM 0 HG13 VAL A 29 2.488 -9.723 -3.237 1.00 42.05 H new ATOM 0 HG21 VAL A 29 3.795 -6.930 -2.992 1.00 64.14 H new ATOM 0 HG22 VAL A 29 2.037 -7.183 -2.869 1.00 64.14 H new ATOM 0 HG23 VAL A 29 2.912 -6.360 -1.556 1.00 64.14 H new ATOM 496 N VAL A 30 -0.090 -7.705 -0.817 1.00 31.15 N ATOM 497 CA VAL A 30 -1.390 -7.363 -1.401 1.00 54.53 C ATOM 498 C VAL A 30 -1.283 -6.084 -2.248 1.00 51.24 C ATOM 499 O VAL A 30 -1.265 -4.970 -1.721 1.00 12.41 O ATOM 500 CB VAL A 30 -2.467 -7.170 -0.303 1.00 64.31 C ATOM 501 CG1 VAL A 30 -3.838 -6.896 -0.925 1.00 72.20 C ATOM 502 CG2 VAL A 30 -2.520 -8.387 0.623 1.00 23.23 C ATOM 0 H VAL A 30 0.144 -7.169 0.019 1.00 31.15 H new ATOM 0 HA VAL A 30 -1.691 -8.193 -2.040 1.00 54.53 H new ATOM 0 HB VAL A 30 -2.191 -6.301 0.295 1.00 64.31 H new ATOM 0 HG11 VAL A 30 -4.577 -6.764 -0.134 1.00 72.20 H new ATOM 0 HG12 VAL A 30 -3.789 -5.991 -1.530 1.00 72.20 H new ATOM 0 HG13 VAL A 30 -4.127 -7.738 -1.554 1.00 72.20 H new ATOM 0 HG21 VAL A 30 -3.282 -8.231 1.386 1.00 23.23 H new ATOM 0 HG22 VAL A 30 -2.765 -9.276 0.042 1.00 23.23 H new ATOM 0 HG23 VAL A 30 -1.550 -8.523 1.102 1.00 23.23 H new ATOM 512 N LEU A 31 -1.198 -6.252 -3.561 1.00 73.11 N ATOM 513 CA LEU A 31 -1.017 -5.123 -4.479 1.00 25.53 C ATOM 514 C LEU A 31 -2.359 -4.596 -5.010 1.00 14.22 C ATOM 515 O LEU A 31 -2.997 -5.224 -5.855 1.00 65.02 O ATOM 516 CB LEU A 31 -0.113 -5.544 -5.650 1.00 75.41 C ATOM 517 CG LEU A 31 0.135 -4.469 -6.726 1.00 12.35 C ATOM 518 CD1 LEU A 31 0.810 -3.239 -6.125 1.00 0.35 C ATOM 519 CD2 LEU A 31 0.974 -5.034 -7.871 1.00 70.10 C ATOM 0 H LEU A 31 -1.251 -7.161 -4.021 1.00 73.11 H new ATOM 0 HA LEU A 31 -0.544 -4.313 -3.923 1.00 25.53 H new ATOM 0 HB2 LEU A 31 0.850 -5.856 -5.247 1.00 75.41 H new ATOM 0 HB3 LEU A 31 -0.555 -6.417 -6.130 1.00 75.41 H new ATOM 0 HG LEU A 31 -0.832 -4.164 -7.125 1.00 12.35 H new ATOM 0 HD11 LEU A 31 0.974 -2.496 -6.905 1.00 0.35 H new ATOM 0 HD12 LEU A 31 0.171 -2.816 -5.349 1.00 0.35 H new ATOM 0 HD13 LEU A 31 1.768 -3.525 -5.690 1.00 0.35 H new ATOM 0 HD21 LEU A 31 1.137 -4.259 -8.620 1.00 70.10 H new ATOM 0 HD22 LEU A 31 1.935 -5.374 -7.485 1.00 70.10 H new ATOM 0 HD23 LEU A 31 0.449 -5.874 -8.327 1.00 70.10 H new ATOM 531 N LEU A 32 -2.788 -3.443 -4.501 1.00 24.22 N ATOM 532 CA LEU A 32 -3.981 -2.768 -5.013 1.00 34.04 C ATOM 533 C LEU A 32 -3.605 -1.920 -6.235 1.00 20.31 C ATOM 534 O LEU A 32 -3.166 -0.774 -6.113 1.00 53.51 O ATOM 535 CB LEU A 32 -4.627 -1.905 -3.916 1.00 72.41 C ATOM 536 CG LEU A 32 -5.066 -2.672 -2.652 1.00 35.45 C ATOM 537 CD1 LEU A 32 -5.703 -1.731 -1.634 1.00 52.34 C ATOM 538 CD2 LEU A 32 -6.024 -3.807 -3.010 1.00 41.11 C ATOM 0 H LEU A 32 -2.327 -2.955 -3.733 1.00 24.22 H new ATOM 0 HA LEU A 32 -4.714 -3.515 -5.318 1.00 34.04 H new ATOM 0 HB2 LEU A 32 -3.920 -1.128 -3.623 1.00 72.41 H new ATOM 0 HB3 LEU A 32 -5.497 -1.402 -4.337 1.00 72.41 H new ATOM 0 HG LEU A 32 -4.175 -3.107 -2.199 1.00 35.45 H new ATOM 0 HD11 LEU A 32 -6.003 -2.298 -0.753 1.00 52.34 H new ATOM 0 HD12 LEU A 32 -4.982 -0.966 -1.345 1.00 52.34 H new ATOM 0 HD13 LEU A 32 -6.579 -1.256 -2.076 1.00 52.34 H new ATOM 0 HD21 LEU A 32 -6.320 -4.333 -2.103 1.00 41.11 H new ATOM 0 HD22 LEU A 32 -6.909 -3.396 -3.496 1.00 41.11 H new ATOM 0 HD23 LEU A 32 -5.528 -4.502 -3.687 1.00 41.11 H new ATOM 550 N TYR A 33 -3.769 -2.508 -7.415 1.00 53.35 N ATOM 551 CA TYR A 33 -3.246 -1.934 -8.656 1.00 71.44 C ATOM 552 C TYR A 33 -4.302 -1.062 -9.367 1.00 54.25 C ATOM 553 O TYR A 33 -5.310 -1.571 -9.877 1.00 23.43 O ATOM 554 CB TYR A 33 -2.762 -3.080 -9.565 1.00 21.51 C ATOM 555 CG TYR A 33 -1.585 -2.722 -10.454 1.00 33.33 C ATOM 556 CD1 TYR A 33 -0.390 -2.271 -9.906 1.00 51.53 C ATOM 557 CD2 TYR A 33 -1.659 -2.848 -11.833 1.00 1.23 C ATOM 558 CE1 TYR A 33 0.689 -1.950 -10.703 1.00 74.20 C ATOM 559 CE2 TYR A 33 -0.583 -2.529 -12.641 1.00 44.45 C ATOM 560 CZ TYR A 33 0.590 -2.079 -12.069 1.00 32.10 C ATOM 561 OH TYR A 33 1.666 -1.752 -12.864 1.00 50.24 O ATOM 0 H TYR A 33 -4.265 -3.391 -7.541 1.00 53.35 H new ATOM 0 HA TYR A 33 -2.408 -1.277 -8.422 1.00 71.44 H new ATOM 0 HB2 TYR A 33 -2.485 -3.930 -8.941 1.00 21.51 H new ATOM 0 HB3 TYR A 33 -3.591 -3.403 -10.194 1.00 21.51 H new ATOM 0 HD1 TYR A 33 -0.305 -2.170 -8.834 1.00 51.53 H new ATOM 0 HD2 TYR A 33 -2.574 -3.202 -12.284 1.00 1.23 H new ATOM 0 HE1 TYR A 33 1.608 -1.599 -10.257 1.00 74.20 H new ATOM 0 HE2 TYR A 33 -0.660 -2.631 -13.713 1.00 44.45 H new ATOM 0 HH TYR A 33 2.498 -1.913 -12.371 1.00 50.24 H new ATOM 571 N SER A 34 -4.068 0.252 -9.390 1.00 44.22 N ATOM 572 CA SER A 34 -5.000 1.211 -10.012 1.00 21.02 C ATOM 573 C SER A 34 -4.375 1.916 -11.226 1.00 40.13 C ATOM 574 O SER A 34 -3.485 2.759 -11.082 1.00 10.51 O ATOM 575 CB SER A 34 -5.463 2.261 -8.984 1.00 74.30 C ATOM 576 OG SER A 34 -4.367 2.939 -8.387 1.00 60.24 O ATOM 0 H SER A 34 -3.238 0.684 -8.984 1.00 44.22 H new ATOM 0 HA SER A 34 -5.860 0.640 -10.361 1.00 21.02 H new ATOM 0 HB2 SER A 34 -6.114 2.985 -9.473 1.00 74.30 H new ATOM 0 HB3 SER A 34 -6.054 1.774 -8.209 1.00 74.30 H new ATOM 0 HG SER A 34 -4.701 3.597 -7.743 1.00 60.24 H new ATOM 582 N ASP A 35 -4.863 1.573 -12.419 1.00 64.31 N ATOM 583 CA ASP A 35 -4.397 2.175 -13.679 1.00 32.34 C ATOM 584 C ASP A 35 -5.575 2.720 -14.500 1.00 34.32 C ATOM 585 O ASP A 35 -6.739 2.552 -14.128 1.00 32.32 O ATOM 586 CB ASP A 35 -3.639 1.144 -14.522 1.00 72.02 C ATOM 587 CG ASP A 35 -2.289 0.764 -13.943 1.00 62.43 C ATOM 588 OD1 ASP A 35 -2.257 0.105 -12.886 1.00 63.55 O ATOM 589 OD2 ASP A 35 -1.258 1.093 -14.570 1.00 43.11 O ATOM 0 H ASP A 35 -5.592 0.871 -12.544 1.00 64.31 H new ATOM 0 HA ASP A 35 -3.730 2.998 -13.420 1.00 32.34 H new ATOM 0 HB2 ASP A 35 -4.250 0.246 -14.619 1.00 72.02 H new ATOM 0 HB3 ASP A 35 -3.496 1.542 -15.526 1.00 72.02 H new ATOM 594 N GLN A 36 -5.263 3.366 -15.622 1.00 41.42 N ATOM 595 CA GLN A 36 -6.293 3.902 -16.518 1.00 45.53 C ATOM 596 C GLN A 36 -7.031 2.776 -17.271 1.00 5.33 C ATOM 597 O GLN A 36 -8.228 2.563 -17.071 1.00 64.44 O ATOM 598 CB GLN A 36 -5.666 4.881 -17.524 1.00 64.44 C ATOM 599 CG GLN A 36 -6.687 5.682 -18.334 1.00 63.20 C ATOM 600 CD GLN A 36 -7.215 6.925 -17.619 1.00 40.04 C ATOM 601 OE1 GLN A 36 -7.185 6.944 -16.300 1.00 20.43 O flip ATOM 602 NE2 GLN A 36 -7.628 7.887 -18.259 1.00 75.00 N flip ATOM 0 H GLN A 36 -4.306 3.532 -15.935 1.00 41.42 H new ATOM 0 HA GLN A 36 -7.022 4.431 -15.904 1.00 45.53 H new ATOM 0 HB2 GLN A 36 -5.020 5.575 -16.986 1.00 64.44 H new ATOM 0 HB3 GLN A 36 -5.031 4.322 -18.211 1.00 64.44 H new ATOM 0 HG2 GLN A 36 -6.230 5.985 -19.276 1.00 63.20 H new ATOM 0 HG3 GLN A 36 -7.528 5.034 -18.581 1.00 63.20 H new ATOM 0 HE21 GLN A 36 -7.643 7.853 -19.278 1.00 75.00 H new ATOM 0 HE22 GLN A 36 -7.956 8.721 -17.772 1.00 75.00 H new ATOM 611 N ASP A 37 -6.308 2.051 -18.127 1.00 4.23 N ATOM 612 CA ASP A 37 -6.916 0.994 -18.952 1.00 52.31 C ATOM 613 C ASP A 37 -6.801 -0.390 -18.286 1.00 4.10 C ATOM 614 O ASP A 37 -5.830 -0.682 -17.586 1.00 11.31 O ATOM 615 CB ASP A 37 -6.271 0.967 -20.344 1.00 34.01 C ATOM 616 CG ASP A 37 -6.925 -0.055 -21.262 1.00 3.12 C ATOM 617 OD1 ASP A 37 -6.535 -1.238 -21.221 1.00 10.43 O ATOM 618 OD2 ASP A 37 -7.854 0.312 -22.011 1.00 60.41 O ATOM 0 H ASP A 37 -5.305 2.172 -18.270 1.00 4.23 H new ATOM 0 HA ASP A 37 -7.976 1.226 -19.052 1.00 52.31 H new ATOM 0 HB2 ASP A 37 -6.343 1.957 -20.795 1.00 34.01 H new ATOM 0 HB3 ASP A 37 -5.210 0.738 -20.246 1.00 34.01 H new ATOM 623 N GLU A 38 -7.792 -1.243 -18.541 1.00 4.32 N ATOM 624 CA GLU A 38 -7.856 -2.580 -17.937 1.00 35.11 C ATOM 625 C GLU A 38 -6.764 -3.518 -18.480 1.00 3.51 C ATOM 626 O GLU A 38 -5.973 -4.071 -17.717 1.00 53.00 O ATOM 627 CB GLU A 38 -9.230 -3.206 -18.205 1.00 64.43 C ATOM 628 CG GLU A 38 -10.410 -2.377 -17.712 1.00 15.34 C ATOM 629 CD GLU A 38 -11.742 -2.947 -18.174 1.00 25.41 C ATOM 630 OE1 GLU A 38 -12.118 -2.709 -19.341 1.00 24.51 O ATOM 631 OE2 GLU A 38 -12.407 -3.657 -17.387 1.00 35.22 O ATOM 0 H GLU A 38 -8.569 -1.032 -19.167 1.00 4.32 H new ATOM 0 HA GLU A 38 -7.693 -2.457 -16.866 1.00 35.11 H new ATOM 0 HB2 GLU A 38 -9.339 -3.367 -19.278 1.00 64.43 H new ATOM 0 HB3 GLU A 38 -9.267 -4.186 -17.730 1.00 64.43 H new ATOM 0 HG2 GLU A 38 -10.393 -2.334 -16.623 1.00 15.34 H new ATOM 0 HG3 GLU A 38 -10.309 -1.353 -18.073 1.00 15.34 H new ATOM 638 N LYS A 39 -6.723 -3.683 -19.804 1.00 12.20 N ATOM 639 CA LYS A 39 -5.845 -4.680 -20.441 1.00 43.24 C ATOM 640 C LYS A 39 -4.369 -4.247 -20.415 1.00 34.22 C ATOM 641 O LYS A 39 -3.472 -5.085 -20.267 1.00 51.20 O ATOM 642 CB LYS A 39 -6.307 -4.954 -21.880 1.00 34.35 C ATOM 643 CG LYS A 39 -6.055 -3.804 -22.854 1.00 5.13 C ATOM 644 CD LYS A 39 -7.002 -3.848 -24.048 1.00 3.30 C ATOM 645 CE LYS A 39 -8.450 -3.632 -23.620 1.00 11.21 C ATOM 646 NZ LYS A 39 -8.661 -2.294 -22.997 1.00 60.12 N ATOM 0 H LYS A 39 -7.286 -3.141 -20.460 1.00 12.20 H new ATOM 0 HA LYS A 39 -5.919 -5.602 -19.864 1.00 43.24 H new ATOM 0 HB2 LYS A 39 -5.798 -5.844 -22.249 1.00 34.35 H new ATOM 0 HB3 LYS A 39 -7.374 -5.178 -21.870 1.00 34.35 H new ATOM 0 HG2 LYS A 39 -6.174 -2.854 -22.332 1.00 5.13 H new ATOM 0 HG3 LYS A 39 -5.025 -3.847 -23.207 1.00 5.13 H new ATOM 0 HD2 LYS A 39 -6.716 -3.082 -24.769 1.00 3.30 H new ATOM 0 HD3 LYS A 39 -6.910 -4.810 -24.552 1.00 3.30 H new ATOM 0 HE2 LYS A 39 -9.102 -3.734 -24.487 1.00 11.21 H new ATOM 0 HE3 LYS A 39 -8.737 -4.410 -22.912 1.00 11.21 H new ATOM 0 HZ1 LYS A 39 -9.677 -2.145 -22.831 1.00 60.12 H new ATOM 0 HZ2 LYS A 39 -8.152 -2.248 -22.091 1.00 60.12 H new ATOM 0 HZ3 LYS A 39 -8.302 -1.554 -23.634 1.00 60.12 H new ATOM 660 N ARG A 40 -4.119 -2.941 -20.559 1.00 53.11 N ATOM 661 CA ARG A 40 -2.765 -2.394 -20.408 1.00 2.41 C ATOM 662 C ARG A 40 -2.252 -2.653 -18.985 1.00 33.31 C ATOM 663 O ARG A 40 -1.108 -3.059 -18.778 1.00 74.13 O ATOM 664 CB ARG A 40 -2.757 -0.886 -20.700 1.00 13.13 C ATOM 665 CG ARG A 40 -1.376 -0.247 -20.583 1.00 73.24 C ATOM 666 CD ARG A 40 -1.419 1.268 -20.760 1.00 2.33 C ATOM 667 NE ARG A 40 -0.085 1.859 -20.667 1.00 53.03 N ATOM 668 CZ ARG A 40 0.158 3.097 -20.335 1.00 52.31 C ATOM 669 NH1 ARG A 40 -0.807 3.903 -20.021 1.00 71.31 N ATOM 670 NH2 ARG A 40 1.378 3.522 -20.300 1.00 33.12 N ATOM 0 H ARG A 40 -4.832 -2.246 -20.779 1.00 53.11 H new ATOM 0 HA ARG A 40 -2.108 -2.890 -21.123 1.00 2.41 H new ATOM 0 HB2 ARG A 40 -3.142 -0.717 -21.706 1.00 13.13 H new ATOM 0 HB3 ARG A 40 -3.438 -0.387 -20.010 1.00 13.13 H new ATOM 0 HG2 ARG A 40 -0.950 -0.484 -19.608 1.00 73.24 H new ATOM 0 HG3 ARG A 40 -0.714 -0.679 -21.333 1.00 73.24 H new ATOM 0 HD2 ARG A 40 -1.858 1.509 -21.728 1.00 2.33 H new ATOM 0 HD3 ARG A 40 -2.065 1.706 -19.999 1.00 2.33 H new ATOM 0 HE ARG A 40 0.713 1.260 -20.877 1.00 53.03 H new ATOM 0 HH11 ARG A 40 -1.772 3.572 -20.031 1.00 71.31 H new ATOM 0 HH12 ARG A 40 -0.602 4.868 -19.763 1.00 71.31 H new ATOM 0 HH21 ARG A 40 2.145 2.890 -20.531 1.00 33.12 H new ATOM 0 HH22 ARG A 40 1.574 4.489 -20.041 1.00 33.12 H new ATOM 684 N ARG A 41 -3.123 -2.410 -18.009 1.00 12.23 N ATOM 685 CA ARG A 41 -2.836 -2.715 -16.607 1.00 20.43 C ATOM 686 C ARG A 41 -2.628 -4.221 -16.392 1.00 14.25 C ATOM 687 O ARG A 41 -1.700 -4.634 -15.690 1.00 41.14 O ATOM 688 CB ARG A 41 -3.983 -2.199 -15.726 1.00 12.01 C ATOM 689 CG ARG A 41 -3.954 -2.729 -14.296 1.00 41.20 C ATOM 690 CD ARG A 41 -4.840 -1.922 -13.349 1.00 64.32 C ATOM 691 NE ARG A 41 -6.195 -1.734 -13.860 1.00 44.22 N ATOM 692 CZ ARG A 41 -7.196 -1.325 -13.132 1.00 34.10 C ATOM 693 NH1 ARG A 41 -7.047 -1.111 -11.861 1.00 52.03 N ATOM 694 NH2 ARG A 41 -8.349 -1.131 -13.675 1.00 31.25 N ATOM 0 H ARG A 41 -4.043 -1.998 -18.165 1.00 12.23 H new ATOM 0 HA ARG A 41 -1.909 -2.214 -16.327 1.00 20.43 H new ATOM 0 HB2 ARG A 41 -3.946 -1.110 -15.700 1.00 12.01 H new ATOM 0 HB3 ARG A 41 -4.932 -2.474 -16.185 1.00 12.01 H new ATOM 0 HG2 ARG A 41 -4.279 -3.770 -14.292 1.00 41.20 H new ATOM 0 HG3 ARG A 41 -2.928 -2.714 -13.928 1.00 41.20 H new ATOM 0 HD2 ARG A 41 -4.888 -2.428 -12.385 1.00 64.32 H new ATOM 0 HD3 ARG A 41 -4.384 -0.947 -13.175 1.00 64.32 H new ATOM 0 HE ARG A 41 -6.368 -1.935 -14.845 1.00 44.22 H new ATOM 0 HH11 ARG A 41 -6.139 -1.263 -11.421 1.00 52.03 H new ATOM 0 HH12 ARG A 41 -7.838 -0.791 -11.302 1.00 52.03 H new ATOM 0 HH21 ARG A 41 -8.477 -1.298 -14.673 1.00 31.25 H new ATOM 0 HH22 ARG A 41 -9.133 -0.811 -13.107 1.00 31.25 H new ATOM 708 N ARG A 42 -3.491 -5.033 -17.003 1.00 74.01 N ATOM 709 CA ARG A 42 -3.392 -6.495 -16.900 1.00 70.11 C ATOM 710 C ARG A 42 -1.995 -6.986 -17.302 1.00 71.32 C ATOM 711 O ARG A 42 -1.433 -7.870 -16.658 1.00 53.03 O ATOM 712 CB ARG A 42 -4.472 -7.172 -17.759 1.00 75.51 C ATOM 713 CG ARG A 42 -4.342 -8.693 -17.837 1.00 32.24 C ATOM 714 CD ARG A 42 -5.497 -9.323 -18.610 1.00 22.53 C ATOM 715 NE ARG A 42 -6.740 -9.316 -17.840 1.00 64.23 N ATOM 716 CZ ARG A 42 -7.938 -9.301 -18.362 1.00 51.51 C ATOM 717 NH1 ARG A 42 -8.105 -9.198 -19.643 1.00 11.33 N ATOM 718 NH2 ARG A 42 -8.974 -9.370 -17.590 1.00 1.24 N ATOM 0 H ARG A 42 -4.269 -4.706 -17.576 1.00 74.01 H new ATOM 0 HA ARG A 42 -3.556 -6.770 -15.858 1.00 70.11 H new ATOM 0 HB2 ARG A 42 -5.453 -6.922 -17.355 1.00 75.51 H new ATOM 0 HB3 ARG A 42 -4.429 -6.762 -18.768 1.00 75.51 H new ATOM 0 HG2 ARG A 42 -3.399 -8.953 -18.318 1.00 32.24 H new ATOM 0 HG3 ARG A 42 -4.311 -9.107 -16.829 1.00 32.24 H new ATOM 0 HD2 ARG A 42 -5.646 -8.781 -19.544 1.00 22.53 H new ATOM 0 HD3 ARG A 42 -5.240 -10.349 -18.874 1.00 22.53 H new ATOM 0 HE ARG A 42 -6.667 -9.323 -16.823 1.00 64.23 H new ATOM 0 HH11 ARG A 42 -7.295 -9.127 -20.259 1.00 11.33 H new ATOM 0 HH12 ARG A 42 -9.046 -9.188 -20.035 1.00 11.33 H new ATOM 0 HH21 ARG A 42 -8.853 -9.436 -16.579 1.00 1.24 H new ATOM 0 HH22 ARG A 42 -9.911 -9.359 -17.992 1.00 1.24 H new ATOM 732 N GLU A 43 -1.433 -6.383 -18.348 1.00 24.14 N ATOM 733 CA GLU A 43 -0.067 -6.690 -18.792 1.00 51.50 C ATOM 734 C GLU A 43 0.943 -6.609 -17.635 1.00 74.32 C ATOM 735 O GLU A 43 1.844 -7.439 -17.522 1.00 11.24 O ATOM 736 CB GLU A 43 0.352 -5.713 -19.903 1.00 45.41 C ATOM 737 CG GLU A 43 -0.367 -5.921 -21.232 1.00 24.24 C ATOM 738 CD GLU A 43 0.082 -7.183 -21.952 1.00 52.24 C ATOM 739 OE1 GLU A 43 1.081 -7.122 -22.703 1.00 3.53 O ATOM 740 OE2 GLU A 43 -0.556 -8.240 -21.769 1.00 43.45 O ATOM 0 H GLU A 43 -1.903 -5.673 -18.910 1.00 24.14 H new ATOM 0 HA GLU A 43 -0.066 -7.712 -19.170 1.00 51.50 H new ATOM 0 HB2 GLU A 43 0.170 -4.694 -19.561 1.00 45.41 H new ATOM 0 HB3 GLU A 43 1.426 -5.807 -20.066 1.00 45.41 H new ATOM 0 HG2 GLU A 43 -1.441 -5.972 -21.055 1.00 24.24 H new ATOM 0 HG3 GLU A 43 -0.190 -5.059 -21.875 1.00 24.24 H new ATOM 747 N ARG A 44 0.788 -5.604 -16.775 1.00 31.14 N ATOM 748 CA ARG A 44 1.736 -5.385 -15.680 1.00 33.25 C ATOM 749 C ARG A 44 1.397 -6.206 -14.423 1.00 71.44 C ATOM 750 O ARG A 44 2.286 -6.802 -13.816 1.00 54.20 O ATOM 751 CB ARG A 44 1.836 -3.888 -15.347 1.00 3.05 C ATOM 752 CG ARG A 44 2.560 -3.092 -16.431 1.00 53.34 C ATOM 753 CD ARG A 44 3.046 -1.732 -15.937 1.00 31.44 C ATOM 754 NE ARG A 44 1.966 -0.761 -15.763 1.00 4.52 N ATOM 755 CZ ARG A 44 2.099 0.516 -16.016 1.00 13.22 C ATOM 756 NH1 ARG A 44 3.218 0.979 -16.474 1.00 35.02 N ATOM 757 NH2 ARG A 44 1.120 1.330 -15.807 1.00 74.10 N ATOM 0 H ARG A 44 0.022 -4.932 -16.813 1.00 31.14 H new ATOM 0 HA ARG A 44 2.708 -5.738 -16.026 1.00 33.25 H new ATOM 0 HB2 ARG A 44 0.834 -3.482 -15.212 1.00 3.05 H new ATOM 0 HB3 ARG A 44 2.360 -3.765 -14.399 1.00 3.05 H new ATOM 0 HG2 ARG A 44 3.412 -3.669 -16.792 1.00 53.34 H new ATOM 0 HG3 ARG A 44 1.890 -2.948 -17.279 1.00 53.34 H new ATOM 0 HD2 ARG A 44 3.565 -1.862 -14.987 1.00 31.44 H new ATOM 0 HD3 ARG A 44 3.773 -1.334 -16.645 1.00 31.44 H new ATOM 0 HE ARG A 44 1.063 -1.096 -15.427 1.00 4.52 H new ATOM 0 HH11 ARG A 44 4.002 0.347 -16.639 1.00 35.02 H new ATOM 0 HH12 ARG A 44 3.316 1.975 -16.669 1.00 35.02 H new ATOM 0 HH21 ARG A 44 0.234 0.980 -15.442 1.00 74.10 H new ATOM 0 HH22 ARG A 44 1.232 2.324 -16.007 1.00 74.10 H new ATOM 771 N LEU A 45 0.121 -6.253 -14.031 1.00 1.44 N ATOM 772 CA LEU A 45 -0.273 -7.016 -12.833 1.00 33.04 C ATOM 773 C LEU A 45 -0.097 -8.531 -13.037 1.00 33.34 C ATOM 774 O LEU A 45 0.199 -9.266 -12.092 1.00 70.20 O ATOM 775 CB LEU A 45 -1.712 -6.672 -12.400 1.00 75.42 C ATOM 776 CG LEU A 45 -2.826 -6.857 -13.452 1.00 14.43 C ATOM 777 CD1 LEU A 45 -3.218 -8.325 -13.620 1.00 33.51 C ATOM 778 CD2 LEU A 45 -4.047 -6.026 -13.079 1.00 21.44 C ATOM 0 H LEU A 45 -0.647 -5.784 -14.511 1.00 1.44 H new ATOM 0 HA LEU A 45 0.397 -6.720 -12.026 1.00 33.04 H new ATOM 0 HB2 LEU A 45 -1.960 -7.285 -11.533 1.00 75.42 H new ATOM 0 HB3 LEU A 45 -1.727 -5.633 -12.071 1.00 75.42 H new ATOM 0 HG LEU A 45 -2.432 -6.512 -14.408 1.00 14.43 H new ATOM 0 HD11 LEU A 45 -4.005 -8.408 -14.370 1.00 33.51 H new ATOM 0 HD12 LEU A 45 -2.349 -8.899 -13.941 1.00 33.51 H new ATOM 0 HD13 LEU A 45 -3.580 -8.716 -12.669 1.00 33.51 H new ATOM 0 HD21 LEU A 45 -4.825 -6.166 -13.829 1.00 21.44 H new ATOM 0 HD22 LEU A 45 -4.420 -6.344 -12.106 1.00 21.44 H new ATOM 0 HD23 LEU A 45 -3.770 -4.973 -13.035 1.00 21.44 H new ATOM 790 N GLU A 46 -0.272 -8.985 -14.277 1.00 63.22 N ATOM 791 CA GLU A 46 -0.104 -10.398 -14.632 1.00 20.14 C ATOM 792 C GLU A 46 1.295 -10.903 -14.256 1.00 14.14 C ATOM 793 O GLU A 46 1.451 -12.005 -13.725 1.00 64.42 O ATOM 794 CB GLU A 46 -0.353 -10.576 -16.135 1.00 22.22 C ATOM 795 CG GLU A 46 -0.191 -12.000 -16.648 1.00 2.11 C ATOM 796 CD GLU A 46 -0.553 -12.120 -18.121 1.00 33.10 C ATOM 797 OE1 GLU A 46 -1.741 -12.342 -18.430 1.00 42.51 O ATOM 798 OE2 GLU A 46 0.345 -11.988 -18.979 1.00 20.01 O ATOM 0 H GLU A 46 -0.533 -8.389 -15.062 1.00 63.22 H new ATOM 0 HA GLU A 46 -0.828 -10.989 -14.070 1.00 20.14 H new ATOM 0 HB2 GLU A 46 -1.363 -10.236 -16.364 1.00 22.22 H new ATOM 0 HB3 GLU A 46 0.333 -9.928 -16.681 1.00 22.22 H new ATOM 0 HG2 GLU A 46 0.839 -12.323 -16.500 1.00 2.11 H new ATOM 0 HG3 GLU A 46 -0.822 -12.670 -16.064 1.00 2.11 H new ATOM 805 N GLU A 47 2.305 -10.073 -14.518 1.00 44.43 N ATOM 806 CA GLU A 47 3.692 -10.397 -14.178 1.00 62.33 C ATOM 807 C GLU A 47 3.874 -10.604 -12.670 1.00 74.31 C ATOM 808 O GLU A 47 4.736 -11.369 -12.240 1.00 32.13 O ATOM 809 CB GLU A 47 4.631 -9.289 -14.671 1.00 1.20 C ATOM 810 CG GLU A 47 4.663 -9.140 -16.188 1.00 13.13 C ATOM 811 CD GLU A 47 5.046 -10.432 -16.893 1.00 61.32 C ATOM 812 OE1 GLU A 47 6.157 -10.944 -16.643 1.00 2.42 O ATOM 813 OE2 GLU A 47 4.237 -10.948 -17.690 1.00 11.34 O ATOM 0 H GLU A 47 2.188 -9.165 -14.968 1.00 44.43 H new ATOM 0 HA GLU A 47 3.942 -11.334 -14.676 1.00 62.33 H new ATOM 0 HB2 GLU A 47 4.324 -8.341 -14.229 1.00 1.20 H new ATOM 0 HB3 GLU A 47 5.640 -9.495 -14.314 1.00 1.20 H new ATOM 0 HG2 GLU A 47 3.683 -8.815 -16.539 1.00 13.13 H new ATOM 0 HG3 GLU A 47 5.373 -8.358 -16.458 1.00 13.13 H new ATOM 820 N PHE A 48 3.059 -9.928 -11.867 1.00 45.12 N ATOM 821 CA PHE A 48 3.136 -10.067 -10.415 1.00 20.30 C ATOM 822 C PHE A 48 2.414 -11.339 -9.946 1.00 22.25 C ATOM 823 O PHE A 48 2.958 -12.124 -9.168 1.00 64.31 O ATOM 824 CB PHE A 48 2.551 -8.827 -9.724 1.00 64.12 C ATOM 825 CG PHE A 48 3.364 -7.571 -9.941 1.00 11.23 C ATOM 826 CD1 PHE A 48 4.623 -7.435 -9.369 1.00 71.01 C ATOM 827 CD2 PHE A 48 2.868 -6.524 -10.705 1.00 10.44 C ATOM 828 CE1 PHE A 48 5.365 -6.286 -9.558 1.00 75.32 C ATOM 829 CE2 PHE A 48 3.608 -5.373 -10.897 1.00 51.13 C ATOM 830 CZ PHE A 48 4.857 -5.255 -10.323 1.00 62.14 C ATOM 0 H PHE A 48 2.341 -9.281 -12.194 1.00 45.12 H new ATOM 0 HA PHE A 48 4.187 -10.154 -10.138 1.00 20.30 H new ATOM 0 HB2 PHE A 48 1.538 -8.661 -10.091 1.00 64.12 H new ATOM 0 HB3 PHE A 48 2.475 -9.020 -8.654 1.00 64.12 H new ATOM 0 HD1 PHE A 48 5.026 -8.238 -8.769 1.00 71.01 H new ATOM 0 HD2 PHE A 48 1.890 -6.610 -11.156 1.00 10.44 H new ATOM 0 HE1 PHE A 48 6.342 -6.194 -9.108 1.00 75.32 H new ATOM 0 HE2 PHE A 48 3.209 -4.567 -11.495 1.00 51.13 H new ATOM 0 HZ PHE A 48 5.437 -4.356 -10.472 1.00 62.14 H new ATOM 840 N GLU A 49 1.196 -11.553 -10.443 1.00 14.43 N ATOM 841 CA GLU A 49 0.393 -12.715 -10.042 1.00 54.31 C ATOM 842 C GLU A 49 1.123 -14.037 -10.321 1.00 41.01 C ATOM 843 O GLU A 49 1.203 -14.906 -9.449 1.00 63.33 O ATOM 844 CB GLU A 49 -0.956 -12.713 -10.762 1.00 33.41 C ATOM 845 CG GLU A 49 -1.769 -11.446 -10.540 1.00 23.34 C ATOM 846 CD GLU A 49 -3.201 -11.586 -11.027 1.00 2.22 C ATOM 847 OE1 GLU A 49 -3.450 -11.341 -12.223 1.00 52.13 O ATOM 848 OE2 GLU A 49 -4.078 -11.964 -10.221 1.00 1.13 O ATOM 0 H GLU A 49 0.742 -10.941 -11.122 1.00 14.43 H new ATOM 0 HA GLU A 49 0.230 -12.636 -8.967 1.00 54.31 H new ATOM 0 HB2 GLU A 49 -0.787 -12.842 -11.831 1.00 33.41 H new ATOM 0 HB3 GLU A 49 -1.538 -13.571 -10.425 1.00 33.41 H new ATOM 0 HG2 GLU A 49 -1.771 -11.200 -9.478 1.00 23.34 H new ATOM 0 HG3 GLU A 49 -1.291 -10.615 -11.059 1.00 23.34 H new ATOM 855 N LYS A 50 1.662 -14.182 -11.532 1.00 13.35 N ATOM 856 CA LYS A 50 2.390 -15.403 -11.915 1.00 11.35 C ATOM 857 C LYS A 50 3.636 -15.627 -11.035 1.00 10.43 C ATOM 858 O LYS A 50 4.146 -16.742 -10.940 1.00 31.53 O ATOM 859 CB LYS A 50 2.781 -15.355 -13.405 1.00 51.44 C ATOM 860 CG LYS A 50 3.663 -14.168 -13.784 1.00 74.34 C ATOM 861 CD LYS A 50 3.837 -14.043 -15.299 1.00 54.21 C ATOM 862 CE LYS A 50 4.614 -15.214 -15.893 1.00 24.30 C ATOM 863 NZ LYS A 50 6.012 -15.271 -15.386 1.00 52.33 N ATOM 0 H LYS A 50 1.611 -13.475 -12.265 1.00 13.35 H new ATOM 0 HA LYS A 50 1.720 -16.248 -11.755 1.00 11.35 H new ATOM 0 HB2 LYS A 50 3.302 -16.277 -13.662 1.00 51.44 H new ATOM 0 HB3 LYS A 50 1.872 -15.325 -14.006 1.00 51.44 H new ATOM 0 HG2 LYS A 50 3.224 -13.250 -13.393 1.00 74.34 H new ATOM 0 HG3 LYS A 50 4.641 -14.278 -13.315 1.00 74.34 H new ATOM 0 HD2 LYS A 50 2.856 -13.984 -15.771 1.00 54.21 H new ATOM 0 HD3 LYS A 50 4.357 -13.112 -15.527 1.00 54.21 H new ATOM 0 HE2 LYS A 50 4.103 -16.147 -15.653 1.00 24.30 H new ATOM 0 HE3 LYS A 50 4.626 -15.127 -16.979 1.00 24.30 H new ATOM 0 HZ1 LYS A 50 6.561 -15.945 -15.957 1.00 52.33 H new ATOM 0 HZ2 LYS A 50 6.444 -14.327 -15.453 1.00 52.33 H new ATOM 0 HZ3 LYS A 50 6.009 -15.581 -14.393 1.00 52.33 H new ATOM 877 N GLN A 51 4.111 -14.564 -10.379 1.00 62.45 N ATOM 878 CA GLN A 51 5.264 -14.658 -9.470 1.00 14.21 C ATOM 879 C GLN A 51 4.823 -14.707 -7.993 1.00 25.14 C ATOM 880 O GLN A 51 5.615 -14.454 -7.084 1.00 13.45 O ATOM 881 CB GLN A 51 6.221 -13.479 -9.704 1.00 21.24 C ATOM 882 CG GLN A 51 6.831 -13.463 -11.102 1.00 62.23 C ATOM 883 CD GLN A 51 7.895 -12.392 -11.276 1.00 2.44 C ATOM 884 OE1 GLN A 51 9.079 -12.634 -11.065 1.00 54.32 O ATOM 885 NE2 GLN A 51 7.484 -11.201 -11.655 1.00 13.12 N ATOM 0 H GLN A 51 3.717 -13.627 -10.459 1.00 62.45 H new ATOM 0 HA GLN A 51 5.785 -15.590 -9.689 1.00 14.21 H new ATOM 0 HB2 GLN A 51 5.683 -12.546 -9.540 1.00 21.24 H new ATOM 0 HB3 GLN A 51 7.022 -13.519 -8.966 1.00 21.24 H new ATOM 0 HG2 GLN A 51 7.269 -14.439 -11.312 1.00 62.23 H new ATOM 0 HG3 GLN A 51 6.040 -13.304 -11.835 1.00 62.23 H new ATOM 0 HE21 GLN A 51 6.492 -11.033 -11.822 1.00 13.12 H new ATOM 0 HE22 GLN A 51 8.157 -10.446 -11.782 1.00 13.12 H new ATOM 894 N GLY A 52 3.555 -15.048 -7.765 1.00 61.33 N ATOM 895 CA GLY A 52 3.049 -15.223 -6.406 1.00 25.13 C ATOM 896 C GLY A 52 2.795 -13.913 -5.663 1.00 20.41 C ATOM 897 O GLY A 52 3.223 -13.746 -4.521 1.00 1.14 O ATOM 0 H GLY A 52 2.864 -15.207 -8.499 1.00 61.33 H new ATOM 0 HA2 GLY A 52 2.120 -15.792 -6.446 1.00 25.13 H new ATOM 0 HA3 GLY A 52 3.763 -15.818 -5.837 1.00 25.13 H new ATOM 901 N VAL A 53 2.114 -12.977 -6.317 1.00 23.43 N ATOM 902 CA VAL A 53 1.714 -11.711 -5.683 1.00 52.03 C ATOM 903 C VAL A 53 0.183 -11.597 -5.594 1.00 14.12 C ATOM 904 O VAL A 53 -0.532 -11.940 -6.542 1.00 63.42 O ATOM 905 CB VAL A 53 2.280 -10.497 -6.463 1.00 21.41 C ATOM 906 CG1 VAL A 53 1.855 -9.170 -5.827 1.00 62.24 C ATOM 907 CG2 VAL A 53 3.804 -10.587 -6.561 1.00 23.24 C ATOM 0 H VAL A 53 1.823 -13.066 -7.291 1.00 23.43 H new ATOM 0 HA VAL A 53 2.127 -11.707 -4.674 1.00 52.03 H new ATOM 0 HB VAL A 53 1.863 -10.526 -7.470 1.00 21.41 H new ATOM 0 HG11 VAL A 53 2.271 -8.342 -6.401 1.00 62.24 H new ATOM 0 HG12 VAL A 53 0.767 -9.100 -5.824 1.00 62.24 H new ATOM 0 HG13 VAL A 53 2.224 -9.123 -4.803 1.00 62.24 H new ATOM 0 HG21 VAL A 53 4.185 -9.727 -7.112 1.00 23.24 H new ATOM 0 HG22 VAL A 53 4.233 -10.595 -5.559 1.00 23.24 H new ATOM 0 HG23 VAL A 53 4.082 -11.503 -7.082 1.00 23.24 H new ATOM 917 N ASP A 54 -0.318 -11.111 -4.457 1.00 31.24 N ATOM 918 CA ASP A 54 -1.764 -10.999 -4.230 1.00 13.12 C ATOM 919 C ASP A 54 -2.297 -9.663 -4.795 1.00 42.25 C ATOM 920 O ASP A 54 -2.402 -8.667 -4.081 1.00 30.03 O ATOM 921 CB ASP A 54 -2.053 -11.131 -2.721 1.00 23.53 C ATOM 922 CG ASP A 54 -3.520 -11.374 -2.405 1.00 63.14 C ATOM 923 OD1 ASP A 54 -4.079 -12.372 -2.908 1.00 2.15 O ATOM 924 OD2 ASP A 54 -4.118 -10.581 -1.643 1.00 63.25 O ATOM 0 H ASP A 54 0.255 -10.788 -3.677 1.00 31.24 H new ATOM 0 HA ASP A 54 -2.282 -11.802 -4.754 1.00 13.12 H new ATOM 0 HB2 ASP A 54 -1.461 -11.952 -2.316 1.00 23.53 H new ATOM 0 HB3 ASP A 54 -1.726 -10.222 -2.215 1.00 23.53 H new ATOM 929 N VAL A 55 -2.610 -9.644 -6.095 1.00 74.33 N ATOM 930 CA VAL A 55 -2.969 -8.396 -6.794 1.00 51.32 C ATOM 931 C VAL A 55 -4.489 -8.219 -6.962 1.00 43.05 C ATOM 932 O VAL A 55 -5.184 -9.103 -7.460 1.00 61.32 O ATOM 933 CB VAL A 55 -2.306 -8.321 -8.193 1.00 70.00 C ATOM 934 CG1 VAL A 55 -2.585 -6.972 -8.854 1.00 21.20 C ATOM 935 CG2 VAL A 55 -0.803 -8.577 -8.098 1.00 42.32 C ATOM 0 H VAL A 55 -2.623 -10.474 -6.687 1.00 74.33 H new ATOM 0 HA VAL A 55 -2.596 -7.591 -6.160 1.00 51.32 H new ATOM 0 HB VAL A 55 -2.743 -9.101 -8.816 1.00 70.00 H new ATOM 0 HG11 VAL A 55 -2.110 -6.942 -9.835 1.00 21.20 H new ATOM 0 HG12 VAL A 55 -3.661 -6.838 -8.968 1.00 21.20 H new ATOM 0 HG13 VAL A 55 -2.184 -6.172 -8.232 1.00 21.20 H new ATOM 0 HG21 VAL A 55 -0.360 -8.519 -9.092 1.00 42.32 H new ATOM 0 HG22 VAL A 55 -0.346 -7.826 -7.453 1.00 42.32 H new ATOM 0 HG23 VAL A 55 -0.628 -9.569 -7.680 1.00 42.32 H new ATOM 945 N ARG A 56 -4.996 -7.061 -6.531 1.00 1.43 N ATOM 946 CA ARG A 56 -6.415 -6.700 -6.691 1.00 73.20 C ATOM 947 C ARG A 56 -6.551 -5.479 -7.617 1.00 33.12 C ATOM 948 O ARG A 56 -5.793 -4.515 -7.500 1.00 25.32 O ATOM 949 CB ARG A 56 -7.062 -6.381 -5.325 1.00 23.34 C ATOM 950 CG ARG A 56 -7.252 -7.583 -4.393 1.00 31.31 C ATOM 951 CD ARG A 56 -5.931 -8.266 -4.044 1.00 74.02 C ATOM 952 NE ARG A 56 -6.077 -9.385 -3.113 1.00 1.33 N ATOM 953 CZ ARG A 56 -6.834 -10.435 -3.305 1.00 23.55 C ATOM 954 NH1 ARG A 56 -7.585 -10.544 -4.355 1.00 43.21 N ATOM 955 NH2 ARG A 56 -6.809 -11.396 -2.444 1.00 21.34 N ATOM 0 H ARG A 56 -4.440 -6.346 -6.062 1.00 1.43 H new ATOM 0 HA ARG A 56 -6.930 -7.553 -7.133 1.00 73.20 H new ATOM 0 HB2 ARG A 56 -6.447 -5.640 -4.814 1.00 23.34 H new ATOM 0 HB3 ARG A 56 -8.035 -5.921 -5.501 1.00 23.34 H new ATOM 0 HG2 ARG A 56 -7.741 -7.254 -3.476 1.00 31.31 H new ATOM 0 HG3 ARG A 56 -7.917 -8.305 -4.867 1.00 31.31 H new ATOM 0 HD2 ARG A 56 -5.465 -8.626 -4.961 1.00 74.02 H new ATOM 0 HD3 ARG A 56 -5.255 -7.530 -3.610 1.00 74.02 H new ATOM 0 HE ARG A 56 -5.545 -9.343 -2.243 1.00 1.33 H new ATOM 0 HH11 ARG A 56 -7.595 -9.802 -5.054 1.00 43.21 H new ATOM 0 HH12 ARG A 56 -8.166 -11.372 -4.482 1.00 43.21 H new ATOM 0 HH21 ARG A 56 -6.204 -11.332 -1.625 1.00 21.34 H new ATOM 0 HH22 ARG A 56 -7.394 -12.220 -2.582 1.00 21.34 H new ATOM 969 N THR A 57 -7.514 -5.517 -8.534 1.00 63.11 N ATOM 970 CA THR A 57 -7.724 -4.405 -9.474 1.00 35.10 C ATOM 971 C THR A 57 -8.730 -3.381 -8.939 1.00 22.15 C ATOM 972 O THR A 57 -9.875 -3.718 -8.635 1.00 50.13 O ATOM 973 CB THR A 57 -8.214 -4.900 -10.855 1.00 43.22 C ATOM 974 OG1 THR A 57 -9.386 -5.717 -10.708 1.00 55.14 O ATOM 975 CG2 THR A 57 -7.123 -5.691 -11.566 1.00 22.13 C ATOM 0 H THR A 57 -8.160 -6.297 -8.651 1.00 63.11 H new ATOM 0 HA THR A 57 -6.751 -3.928 -9.586 1.00 35.10 H new ATOM 0 HB THR A 57 -8.461 -4.025 -11.457 1.00 43.22 H new ATOM 0 HG1 THR A 57 -9.882 -5.436 -9.911 1.00 55.14 H new ATOM 0 HG21 THR A 57 -7.491 -6.029 -12.535 1.00 22.13 H new ATOM 0 HG22 THR A 57 -6.249 -5.056 -11.711 1.00 22.13 H new ATOM 0 HG23 THR A 57 -6.847 -6.555 -10.961 1.00 22.13 H new ATOM 983 N VAL A 58 -8.293 -2.129 -8.829 1.00 24.44 N ATOM 984 CA VAL A 58 -9.171 -1.032 -8.401 1.00 63.33 C ATOM 985 C VAL A 58 -9.225 0.092 -9.444 1.00 23.22 C ATOM 986 O VAL A 58 -8.206 0.458 -10.034 1.00 60.40 O ATOM 987 CB VAL A 58 -8.750 -0.451 -7.028 1.00 33.21 C ATOM 988 CG1 VAL A 58 -9.310 -1.305 -5.895 1.00 61.42 C ATOM 989 CG2 VAL A 58 -7.229 -0.345 -6.925 1.00 50.30 C ATOM 0 H VAL A 58 -7.335 -1.844 -9.030 1.00 24.44 H new ATOM 0 HA VAL A 58 -10.167 -1.463 -8.300 1.00 63.33 H new ATOM 0 HB VAL A 58 -9.164 0.554 -6.940 1.00 33.21 H new ATOM 0 HG11 VAL A 58 -9.005 -0.884 -4.937 1.00 61.42 H new ATOM 0 HG12 VAL A 58 -10.398 -1.321 -5.955 1.00 61.42 H new ATOM 0 HG13 VAL A 58 -8.927 -2.322 -5.982 1.00 61.42 H new ATOM 0 HG21 VAL A 58 -6.958 0.065 -5.952 1.00 50.30 H new ATOM 0 HG22 VAL A 58 -6.787 -1.335 -7.037 1.00 50.30 H new ATOM 0 HG23 VAL A 58 -6.856 0.310 -7.712 1.00 50.30 H new ATOM 999 N GLU A 59 -10.425 0.620 -9.682 1.00 3.11 N ATOM 1000 CA GLU A 59 -10.633 1.685 -10.677 1.00 42.22 C ATOM 1001 C GLU A 59 -10.932 3.046 -10.028 1.00 60.03 C ATOM 1002 O GLU A 59 -10.586 4.094 -10.579 1.00 54.33 O ATOM 1003 CB GLU A 59 -11.777 1.291 -11.620 1.00 74.14 C ATOM 1004 CG GLU A 59 -13.100 0.997 -10.916 1.00 1.14 C ATOM 1005 CD GLU A 59 -14.112 0.321 -11.830 1.00 43.21 C ATOM 1006 OE1 GLU A 59 -14.001 -0.906 -12.033 1.00 14.34 O ATOM 1007 OE2 GLU A 59 -15.016 1.004 -12.351 1.00 63.02 O ATOM 0 H GLU A 59 -11.275 0.329 -9.199 1.00 3.11 H new ATOM 0 HA GLU A 59 -9.705 1.795 -11.238 1.00 42.22 H new ATOM 0 HB2 GLU A 59 -11.933 2.095 -12.339 1.00 74.14 H new ATOM 0 HB3 GLU A 59 -11.477 0.410 -12.187 1.00 74.14 H new ATOM 0 HG2 GLU A 59 -12.914 0.359 -10.052 1.00 1.14 H new ATOM 0 HG3 GLU A 59 -13.522 1.929 -10.539 1.00 1.14 H new ATOM 1014 N ASP A 60 -11.578 3.032 -8.866 1.00 32.13 N ATOM 1015 CA ASP A 60 -11.933 4.272 -8.167 1.00 35.24 C ATOM 1016 C ASP A 60 -11.698 4.143 -6.657 1.00 10.12 C ATOM 1017 O ASP A 60 -11.496 3.045 -6.138 1.00 64.52 O ATOM 1018 CB ASP A 60 -13.399 4.631 -8.442 1.00 71.21 C ATOM 1019 CG ASP A 60 -13.801 5.960 -7.831 1.00 43.22 C ATOM 1020 OD1 ASP A 60 -13.401 7.011 -8.369 1.00 61.11 O ATOM 1021 OD2 ASP A 60 -14.490 5.960 -6.790 1.00 32.35 O ATOM 0 H ASP A 60 -11.868 2.180 -8.386 1.00 32.13 H new ATOM 0 HA ASP A 60 -11.291 5.068 -8.544 1.00 35.24 H new ATOM 0 HB2 ASP A 60 -13.564 4.666 -9.519 1.00 71.21 H new ATOM 0 HB3 ASP A 60 -14.042 3.845 -8.046 1.00 71.21 H new ATOM 1026 N LYS A 61 -11.740 5.275 -5.962 1.00 51.33 N ATOM 1027 CA LYS A 61 -11.535 5.319 -4.514 1.00 11.31 C ATOM 1028 C LYS A 61 -12.592 4.497 -3.752 1.00 13.21 C ATOM 1029 O LYS A 61 -12.308 3.943 -2.691 1.00 2.31 O ATOM 1030 CB LYS A 61 -11.543 6.777 -4.056 1.00 33.44 C ATOM 1031 CG LYS A 61 -12.851 7.506 -4.343 1.00 31.23 C ATOM 1032 CD LYS A 61 -12.712 9.013 -4.173 1.00 61.21 C ATOM 1033 CE LYS A 61 -12.256 9.387 -2.767 1.00 65.51 C ATOM 1034 NZ LYS A 61 -13.145 8.824 -1.714 1.00 70.20 N ATOM 0 H LYS A 61 -11.917 6.187 -6.383 1.00 51.33 H new ATOM 0 HA LYS A 61 -10.570 4.866 -4.287 1.00 11.31 H new ATOM 0 HB2 LYS A 61 -11.346 6.812 -2.985 1.00 33.44 H new ATOM 0 HB3 LYS A 61 -10.727 7.307 -4.548 1.00 33.44 H new ATOM 0 HG2 LYS A 61 -13.174 7.284 -5.360 1.00 31.23 H new ATOM 0 HG3 LYS A 61 -13.627 7.135 -3.674 1.00 31.23 H new ATOM 0 HD2 LYS A 61 -11.996 9.396 -4.901 1.00 61.21 H new ATOM 0 HD3 LYS A 61 -13.668 9.492 -4.384 1.00 61.21 H new ATOM 0 HE2 LYS A 61 -11.239 9.028 -2.610 1.00 65.51 H new ATOM 0 HE3 LYS A 61 -12.229 10.473 -2.673 1.00 65.51 H new ATOM 0 HZ1 LYS A 61 -13.199 9.487 -0.915 1.00 70.20 H new ATOM 0 HZ2 LYS A 61 -14.097 8.676 -2.106 1.00 70.20 H new ATOM 0 HZ3 LYS A 61 -12.761 7.915 -1.385 1.00 70.20 H new ATOM 1048 N GLU A 62 -13.810 4.414 -4.291 1.00 73.23 N ATOM 1049 CA GLU A 62 -14.847 3.559 -3.698 1.00 32.23 C ATOM 1050 C GLU A 62 -14.523 2.075 -3.919 1.00 40.01 C ATOM 1051 O GLU A 62 -14.564 1.275 -2.984 1.00 12.55 O ATOM 1052 CB GLU A 62 -16.230 3.889 -4.273 1.00 14.34 C ATOM 1053 CG GLU A 62 -16.697 5.308 -3.973 1.00 51.31 C ATOM 1054 CD GLU A 62 -18.151 5.543 -4.350 1.00 53.02 C ATOM 1055 OE1 GLU A 62 -18.431 5.794 -5.540 1.00 31.15 O ATOM 1056 OE2 GLU A 62 -19.020 5.479 -3.455 1.00 55.30 O ATOM 0 H GLU A 62 -14.103 4.920 -5.127 1.00 73.23 H new ATOM 0 HA GLU A 62 -14.865 3.756 -2.626 1.00 32.23 H new ATOM 0 HB2 GLU A 62 -16.208 3.744 -5.353 1.00 14.34 H new ATOM 0 HB3 GLU A 62 -16.958 3.184 -3.871 1.00 14.34 H new ATOM 0 HG2 GLU A 62 -16.565 5.512 -2.910 1.00 51.31 H new ATOM 0 HG3 GLU A 62 -16.068 6.015 -4.514 1.00 51.31 H new ATOM 1063 N ASP A 63 -14.173 1.720 -5.158 1.00 33.24 N ATOM 1064 CA ASP A 63 -13.753 0.359 -5.496 1.00 4.24 C ATOM 1065 C ASP A 63 -12.517 -0.025 -4.664 1.00 50.04 C ATOM 1066 O ASP A 63 -12.300 -1.188 -4.329 1.00 20.42 O ATOM 1067 CB ASP A 63 -13.456 0.302 -7.001 1.00 2.24 C ATOM 1068 CG ASP A 63 -13.199 -1.097 -7.521 1.00 33.43 C ATOM 1069 OD1 ASP A 63 -13.960 -2.020 -7.167 1.00 52.44 O ATOM 1070 OD2 ASP A 63 -12.262 -1.273 -8.321 1.00 32.05 O ATOM 0 H ASP A 63 -14.173 2.363 -5.950 1.00 33.24 H new ATOM 0 HA ASP A 63 -14.542 -0.356 -5.264 1.00 4.24 H new ATOM 0 HB2 ASP A 63 -14.297 0.733 -7.544 1.00 2.24 H new ATOM 0 HB3 ASP A 63 -12.587 0.924 -7.214 1.00 2.24 H new ATOM 1075 N PHE A 64 -11.741 0.993 -4.309 1.00 32.32 N ATOM 1076 CA PHE A 64 -10.558 0.846 -3.462 1.00 61.01 C ATOM 1077 C PHE A 64 -10.952 0.569 -2.003 1.00 20.32 C ATOM 1078 O PHE A 64 -10.592 -0.463 -1.433 1.00 3.15 O ATOM 1079 CB PHE A 64 -9.714 2.130 -3.570 1.00 64.14 C ATOM 1080 CG PHE A 64 -8.619 2.270 -2.543 1.00 20.13 C ATOM 1081 CD1 PHE A 64 -7.503 1.450 -2.576 1.00 15.44 C ATOM 1082 CD2 PHE A 64 -8.704 3.238 -1.553 1.00 0.13 C ATOM 1083 CE1 PHE A 64 -6.497 1.592 -1.638 1.00 24.11 C ATOM 1084 CE2 PHE A 64 -7.700 3.383 -0.617 1.00 61.03 C ATOM 1085 CZ PHE A 64 -6.595 2.559 -0.659 1.00 42.15 C ATOM 0 H PHE A 64 -11.915 1.954 -4.603 1.00 32.32 H new ATOM 0 HA PHE A 64 -9.972 -0.008 -3.802 1.00 61.01 H new ATOM 0 HB2 PHE A 64 -9.265 2.168 -4.563 1.00 64.14 H new ATOM 0 HB3 PHE A 64 -10.379 2.990 -3.488 1.00 64.14 H new ATOM 0 HD1 PHE A 64 -7.418 0.693 -3.341 1.00 15.44 H new ATOM 0 HD2 PHE A 64 -9.567 3.886 -1.514 1.00 0.13 H new ATOM 0 HE1 PHE A 64 -5.633 0.945 -1.672 1.00 24.11 H new ATOM 0 HE2 PHE A 64 -7.780 4.141 0.148 1.00 61.03 H new ATOM 0 HZ PHE A 64 -5.808 2.670 0.073 1.00 42.15 H new ATOM 1095 N ARG A 65 -11.720 1.485 -1.421 1.00 22.04 N ATOM 1096 CA ARG A 65 -12.129 1.395 -0.019 1.00 44.34 C ATOM 1097 C ARG A 65 -12.917 0.098 0.267 1.00 24.00 C ATOM 1098 O ARG A 65 -12.770 -0.507 1.331 1.00 3.44 O ATOM 1099 CB ARG A 65 -12.956 2.644 0.354 1.00 21.40 C ATOM 1100 CG ARG A 65 -14.383 2.348 0.805 1.00 72.15 C ATOM 1101 CD ARG A 65 -15.204 3.618 1.012 1.00 4.42 C ATOM 1102 NE ARG A 65 -14.445 4.685 1.669 1.00 62.30 N ATOM 1103 CZ ARG A 65 -14.450 4.923 2.952 1.00 4.52 C ATOM 1104 NH1 ARG A 65 -15.032 4.114 3.782 1.00 15.44 N ATOM 1105 NH2 ARG A 65 -13.830 5.963 3.406 1.00 23.12 N ATOM 0 H ARG A 65 -12.077 2.309 -1.904 1.00 22.04 H new ATOM 0 HA ARG A 65 -11.234 1.359 0.602 1.00 44.34 H new ATOM 0 HB2 ARG A 65 -12.441 3.180 1.151 1.00 21.40 H new ATOM 0 HB3 ARG A 65 -12.992 3.311 -0.508 1.00 21.40 H new ATOM 0 HG2 ARG A 65 -14.873 1.719 0.061 1.00 72.15 H new ATOM 0 HG3 ARG A 65 -14.357 1.780 1.735 1.00 72.15 H new ATOM 0 HD2 ARG A 65 -15.562 3.975 0.046 1.00 4.42 H new ATOM 0 HD3 ARG A 65 -16.084 3.383 1.611 1.00 4.42 H new ATOM 0 HE ARG A 65 -13.870 5.287 1.080 1.00 62.30 H new ATOM 0 HH11 ARG A 65 -15.496 3.275 3.435 1.00 15.44 H new ATOM 0 HH12 ARG A 65 -15.025 4.317 4.782 1.00 15.44 H new ATOM 0 HH21 ARG A 65 -13.344 6.588 2.763 1.00 23.12 H new ATOM 0 HH22 ARG A 65 -13.827 6.159 4.407 1.00 23.12 H new ATOM 1119 N GLU A 66 -13.740 -0.333 -0.689 1.00 20.32 N ATOM 1120 CA GLU A 66 -14.574 -1.525 -0.500 1.00 35.25 C ATOM 1121 C GLU A 66 -13.759 -2.829 -0.599 1.00 55.35 C ATOM 1122 O GLU A 66 -14.107 -3.828 0.030 1.00 21.22 O ATOM 1123 CB GLU A 66 -15.748 -1.515 -1.487 1.00 31.02 C ATOM 1124 CG GLU A 66 -16.690 -0.330 -1.270 1.00 60.34 C ATOM 1125 CD GLU A 66 -17.954 -0.399 -2.109 1.00 1.52 C ATOM 1126 OE1 GLU A 66 -18.952 -0.977 -1.634 1.00 33.25 O ATOM 1127 OE2 GLU A 66 -17.959 0.137 -3.236 1.00 34.51 O ATOM 0 H GLU A 66 -13.848 0.120 -1.596 1.00 20.32 H new ATOM 0 HA GLU A 66 -14.976 -1.492 0.513 1.00 35.25 H new ATOM 0 HB2 GLU A 66 -15.361 -1.485 -2.506 1.00 31.02 H new ATOM 0 HB3 GLU A 66 -16.310 -2.444 -1.387 1.00 31.02 H new ATOM 0 HG2 GLU A 66 -16.965 -0.283 -0.216 1.00 60.34 H new ATOM 0 HG3 GLU A 66 -16.159 0.593 -1.502 1.00 60.34 H new ATOM 1134 N ASN A 67 -12.669 -2.820 -1.369 1.00 71.13 N ATOM 1135 CA ASN A 67 -11.727 -3.953 -1.371 1.00 21.44 C ATOM 1136 C ASN A 67 -10.976 -4.034 -0.033 1.00 62.05 C ATOM 1137 O ASN A 67 -10.671 -5.123 0.459 1.00 52.35 O ATOM 1138 CB ASN A 67 -10.728 -3.848 -2.534 1.00 70.55 C ATOM 1139 CG ASN A 67 -11.198 -4.592 -3.774 1.00 70.21 C ATOM 1140 OD1 ASN A 67 -10.890 -5.763 -3.961 1.00 24.12 O ATOM 1141 ND2 ASN A 67 -11.948 -3.928 -4.626 1.00 3.34 N ATOM 0 H ASN A 67 -12.414 -2.054 -1.993 1.00 71.13 H new ATOM 0 HA ASN A 67 -12.308 -4.865 -1.505 1.00 21.44 H new ATOM 0 HB2 ASN A 67 -10.572 -2.798 -2.781 1.00 70.55 H new ATOM 0 HB3 ASN A 67 -9.764 -4.247 -2.218 1.00 70.55 H new ATOM 0 HD21 ASN A 67 -12.290 -4.387 -5.470 1.00 3.34 H new ATOM 0 HD22 ASN A 67 -12.188 -2.954 -4.443 1.00 3.34 H new ATOM 1148 N ILE A 68 -10.686 -2.871 0.550 1.00 40.43 N ATOM 1149 CA ILE A 68 -10.058 -2.800 1.874 1.00 61.03 C ATOM 1150 C ILE A 68 -10.917 -3.515 2.933 1.00 44.45 C ATOM 1151 O ILE A 68 -10.394 -4.189 3.822 1.00 21.54 O ATOM 1152 CB ILE A 68 -9.831 -1.329 2.306 1.00 73.42 C ATOM 1153 CG1 ILE A 68 -8.977 -0.589 1.268 1.00 41.32 C ATOM 1154 CG2 ILE A 68 -9.172 -1.258 3.680 1.00 2.42 C ATOM 1155 CD1 ILE A 68 -8.796 0.883 1.571 1.00 13.14 C ATOM 0 H ILE A 68 -10.875 -1.962 0.127 1.00 40.43 H new ATOM 0 HA ILE A 68 -9.093 -3.302 1.800 1.00 61.03 H new ATOM 0 HB ILE A 68 -10.805 -0.843 2.369 1.00 73.42 H new ATOM 0 HG12 ILE A 68 -7.997 -1.063 1.211 1.00 41.32 H new ATOM 0 HG13 ILE A 68 -9.440 -0.695 0.287 1.00 41.32 H new ATOM 0 HG21 ILE A 68 -9.024 -0.215 3.959 1.00 2.42 H new ATOM 0 HG22 ILE A 68 -9.813 -1.743 4.416 1.00 2.42 H new ATOM 0 HG23 ILE A 68 -8.208 -1.765 3.648 1.00 2.42 H new ATOM 0 HD11 ILE A 68 -8.182 1.341 0.796 1.00 13.14 H new ATOM 0 HD12 ILE A 68 -9.770 1.371 1.598 1.00 13.14 H new ATOM 0 HD13 ILE A 68 -8.305 0.998 2.537 1.00 13.14 H new ATOM 1167 N ARG A 69 -12.241 -3.372 2.817 1.00 41.45 N ATOM 1168 CA ARG A 69 -13.188 -4.063 3.706 1.00 45.42 C ATOM 1169 C ARG A 69 -12.904 -5.575 3.763 1.00 74.12 C ATOM 1170 O ARG A 69 -13.048 -6.211 4.809 1.00 3.21 O ATOM 1171 CB ARG A 69 -14.629 -3.822 3.226 1.00 24.02 C ATOM 1172 CG ARG A 69 -15.060 -2.357 3.261 1.00 34.44 C ATOM 1173 CD ARG A 69 -16.477 -2.166 2.722 1.00 15.32 C ATOM 1174 NE ARG A 69 -17.454 -2.990 3.433 1.00 14.12 N ATOM 1175 CZ ARG A 69 -18.751 -2.830 3.365 1.00 12.34 C ATOM 1176 NH1 ARG A 69 -19.274 -1.891 2.646 1.00 70.53 N ATOM 1177 NH2 ARG A 69 -19.529 -3.624 4.024 1.00 72.05 N ATOM 0 H ARG A 69 -12.685 -2.782 2.114 1.00 41.45 H new ATOM 0 HA ARG A 69 -13.064 -3.657 4.710 1.00 45.42 H new ATOM 0 HB2 ARG A 69 -14.728 -4.195 2.207 1.00 24.02 H new ATOM 0 HB3 ARG A 69 -15.310 -4.405 3.846 1.00 24.02 H new ATOM 0 HG2 ARG A 69 -15.009 -1.988 4.285 1.00 34.44 H new ATOM 0 HG3 ARG A 69 -14.364 -1.760 2.672 1.00 34.44 H new ATOM 0 HD2 ARG A 69 -16.758 -1.116 2.808 1.00 15.32 H new ATOM 0 HD3 ARG A 69 -16.497 -2.416 1.661 1.00 15.32 H new ATOM 0 HE ARG A 69 -17.099 -3.742 4.023 1.00 14.12 H new ATOM 0 HH11 ARG A 69 -18.673 -1.258 2.118 1.00 70.53 H new ATOM 0 HH12 ARG A 69 -20.288 -1.783 2.607 1.00 70.53 H new ATOM 0 HH21 ARG A 69 -19.131 -4.371 4.594 1.00 72.05 H new ATOM 0 HH22 ARG A 69 -20.541 -3.504 3.975 1.00 72.05 H new ATOM 1191 N GLU A 70 -12.495 -6.142 2.630 1.00 23.15 N ATOM 1192 CA GLU A 70 -12.140 -7.564 2.553 1.00 63.02 C ATOM 1193 C GLU A 70 -10.799 -7.853 3.243 1.00 33.40 C ATOM 1194 O GLU A 70 -10.629 -8.899 3.871 1.00 74.05 O ATOM 1195 CB GLU A 70 -12.090 -8.022 1.088 1.00 70.03 C ATOM 1196 CG GLU A 70 -13.462 -8.114 0.429 1.00 31.32 C ATOM 1197 CD GLU A 70 -14.343 -9.168 1.080 1.00 61.30 C ATOM 1198 OE1 GLU A 70 -14.270 -10.345 0.663 1.00 70.21 O ATOM 1199 OE2 GLU A 70 -15.092 -8.834 2.026 1.00 13.42 O ATOM 0 H GLU A 70 -12.400 -5.639 1.748 1.00 23.15 H new ATOM 0 HA GLU A 70 -12.912 -8.125 3.079 1.00 63.02 H new ATOM 0 HB2 GLU A 70 -11.470 -7.328 0.520 1.00 70.03 H new ATOM 0 HB3 GLU A 70 -11.606 -8.997 1.037 1.00 70.03 H new ATOM 0 HG2 GLU A 70 -13.956 -7.144 0.486 1.00 31.32 H new ATOM 0 HG3 GLU A 70 -13.340 -8.348 -0.629 1.00 31.32 H new ATOM 1206 N ILE A 71 -9.855 -6.920 3.133 1.00 42.54 N ATOM 1207 CA ILE A 71 -8.527 -7.083 3.745 1.00 30.42 C ATOM 1208 C ILE A 71 -8.626 -7.305 5.266 1.00 41.45 C ATOM 1209 O ILE A 71 -7.944 -8.166 5.820 1.00 2.55 O ATOM 1210 CB ILE A 71 -7.619 -5.856 3.458 1.00 23.22 C ATOM 1211 CG1 ILE A 71 -7.422 -5.680 1.940 1.00 14.43 C ATOM 1212 CG2 ILE A 71 -6.267 -5.998 4.164 1.00 64.54 C ATOM 1213 CD1 ILE A 71 -6.578 -4.479 1.564 1.00 3.00 C ATOM 0 H ILE A 71 -9.980 -6.043 2.628 1.00 42.54 H new ATOM 0 HA ILE A 71 -8.080 -7.968 3.293 1.00 30.42 H new ATOM 0 HB ILE A 71 -8.112 -4.967 3.851 1.00 23.22 H new ATOM 0 HG12 ILE A 71 -6.956 -6.579 1.538 1.00 14.43 H new ATOM 0 HG13 ILE A 71 -8.399 -5.588 1.465 1.00 14.43 H new ATOM 0 HG21 ILE A 71 -5.650 -5.126 3.947 1.00 64.54 H new ATOM 0 HG22 ILE A 71 -6.424 -6.072 5.240 1.00 64.54 H new ATOM 0 HG23 ILE A 71 -5.763 -6.897 3.808 1.00 64.54 H new ATOM 0 HD11 ILE A 71 -6.486 -4.424 0.479 1.00 3.00 H new ATOM 0 HD12 ILE A 71 -7.053 -3.570 1.934 1.00 3.00 H new ATOM 0 HD13 ILE A 71 -5.587 -4.577 2.008 1.00 3.00 H new ATOM 1225 N TRP A 72 -9.502 -6.544 5.924 1.00 22.01 N ATOM 1226 CA TRP A 72 -9.672 -6.623 7.385 1.00 0.11 C ATOM 1227 C TRP A 72 -10.189 -7.997 7.845 1.00 12.45 C ATOM 1228 O TRP A 72 -9.927 -8.427 8.970 1.00 32.32 O ATOM 1229 CB TRP A 72 -10.644 -5.536 7.860 1.00 11.53 C ATOM 1230 CG TRP A 72 -10.278 -4.153 7.400 1.00 72.51 C ATOM 1231 CD1 TRP A 72 -11.079 -3.275 6.725 1.00 63.12 C ATOM 1232 CD2 TRP A 72 -9.014 -3.495 7.565 1.00 22.22 C ATOM 1233 NE1 TRP A 72 -10.401 -2.106 6.487 1.00 43.54 N ATOM 1234 CE2 TRP A 72 -9.131 -2.218 6.985 1.00 1.12 C ATOM 1235 CE3 TRP A 72 -7.798 -3.857 8.152 1.00 4.11 C ATOM 1236 CZ2 TRP A 72 -8.078 -1.306 6.975 1.00 41.01 C ATOM 1237 CZ3 TRP A 72 -6.755 -2.952 8.138 1.00 24.44 C ATOM 1238 CH2 TRP A 72 -6.902 -1.688 7.555 1.00 52.21 C ATOM 0 H TRP A 72 -10.109 -5.862 5.470 1.00 22.01 H new ATOM 0 HA TRP A 72 -8.687 -6.472 7.827 1.00 0.11 H new ATOM 0 HB2 TRP A 72 -11.645 -5.775 7.502 1.00 11.53 H new ATOM 0 HB3 TRP A 72 -10.684 -5.548 8.949 1.00 11.53 H new ATOM 0 HD1 TRP A 72 -12.097 -3.472 6.423 1.00 63.12 H new ATOM 0 HE1 TRP A 72 -10.782 -1.286 6.015 1.00 43.54 H new ATOM 0 HE3 TRP A 72 -7.676 -4.828 8.609 1.00 4.11 H new ATOM 0 HZ2 TRP A 72 -8.188 -0.331 6.524 1.00 41.01 H new ATOM 0 HZ3 TRP A 72 -5.810 -3.224 8.584 1.00 24.44 H new ATOM 0 HH2 TRP A 72 -6.069 -1.001 7.564 1.00 52.21 H new ATOM 1249 N GLU A 73 -10.944 -8.668 6.981 1.00 61.35 N ATOM 1250 CA GLU A 73 -11.526 -9.974 7.313 1.00 13.31 C ATOM 1251 C GLU A 73 -10.599 -11.124 6.892 1.00 72.42 C ATOM 1252 O GLU A 73 -10.394 -12.083 7.640 1.00 30.12 O ATOM 1253 CB GLU A 73 -12.892 -10.124 6.631 1.00 13.20 C ATOM 1254 CG GLU A 73 -13.596 -11.444 6.937 1.00 41.35 C ATOM 1255 CD GLU A 73 -14.958 -11.550 6.268 1.00 55.10 C ATOM 1256 OE1 GLU A 73 -15.024 -12.030 5.119 1.00 3.25 O ATOM 1257 OE2 GLU A 73 -15.964 -11.138 6.887 1.00 22.34 O ATOM 0 H GLU A 73 -11.170 -8.333 6.044 1.00 61.35 H new ATOM 0 HA GLU A 73 -11.652 -10.023 8.395 1.00 13.31 H new ATOM 0 HB2 GLU A 73 -13.535 -9.300 6.942 1.00 13.20 H new ATOM 0 HB3 GLU A 73 -12.760 -10.036 5.553 1.00 13.20 H new ATOM 0 HG2 GLU A 73 -12.968 -12.271 6.607 1.00 41.35 H new ATOM 0 HG3 GLU A 73 -13.716 -11.546 8.016 1.00 41.35 H new ATOM 1264 N ARG A 74 -10.041 -11.017 5.689 1.00 32.32 N ATOM 1265 CA ARG A 74 -9.136 -12.041 5.158 1.00 63.01 C ATOM 1266 C ARG A 74 -7.779 -12.027 5.879 1.00 21.52 C ATOM 1267 O ARG A 74 -7.114 -13.055 5.981 1.00 51.23 O ATOM 1268 CB ARG A 74 -8.929 -11.837 3.649 1.00 1.31 C ATOM 1269 CG ARG A 74 -10.227 -11.869 2.841 1.00 40.10 C ATOM 1270 CD ARG A 74 -9.976 -11.680 1.348 1.00 30.33 C ATOM 1271 NE ARG A 74 -11.218 -11.450 0.607 1.00 42.51 N ATOM 1272 CZ ARG A 74 -11.325 -11.526 -0.694 1.00 11.54 C ATOM 1273 NH1 ARG A 74 -10.321 -11.907 -1.420 1.00 70.01 N ATOM 1274 NH2 ARG A 74 -12.445 -11.236 -1.263 1.00 60.23 N ATOM 0 H ARG A 74 -10.198 -10.230 5.059 1.00 32.32 H new ATOM 0 HA ARG A 74 -9.599 -13.012 5.332 1.00 63.01 H new ATOM 0 HB2 ARG A 74 -8.433 -10.880 3.485 1.00 1.31 H new ATOM 0 HB3 ARG A 74 -8.259 -12.611 3.275 1.00 1.31 H new ATOM 0 HG2 ARG A 74 -10.733 -12.820 3.006 1.00 40.10 H new ATOM 0 HG3 ARG A 74 -10.896 -11.086 3.198 1.00 40.10 H new ATOM 0 HD2 ARG A 74 -9.303 -10.836 1.198 1.00 30.33 H new ATOM 0 HD3 ARG A 74 -9.475 -12.562 0.950 1.00 30.33 H new ATOM 0 HE ARG A 74 -12.055 -11.215 1.141 1.00 42.51 H new ATOM 0 HH11 ARG A 74 -9.435 -12.152 -0.977 1.00 70.01 H new ATOM 0 HH12 ARG A 74 -10.417 -11.962 -2.434 1.00 70.01 H new ATOM 0 HH21 ARG A 74 -13.244 -10.948 -0.699 1.00 60.23 H new ATOM 0 HH22 ARG A 74 -12.532 -11.294 -2.278 1.00 60.23 H new ATOM 1288 N TYR A 75 -7.373 -10.859 6.380 1.00 14.02 N ATOM 1289 CA TYR A 75 -6.086 -10.722 7.080 1.00 61.15 C ATOM 1290 C TYR A 75 -6.250 -10.009 8.439 1.00 31.11 C ATOM 1291 O TYR A 75 -5.787 -8.881 8.613 1.00 4.31 O ATOM 1292 CB TYR A 75 -5.089 -9.940 6.208 1.00 34.43 C ATOM 1293 CG TYR A 75 -4.983 -10.438 4.777 1.00 70.13 C ATOM 1294 CD1 TYR A 75 -4.227 -11.562 4.458 1.00 24.25 C ATOM 1295 CD2 TYR A 75 -5.635 -9.773 3.741 1.00 51.01 C ATOM 1296 CE1 TYR A 75 -4.126 -12.006 3.152 1.00 34.02 C ATOM 1297 CE2 TYR A 75 -5.539 -10.212 2.436 1.00 53.35 C ATOM 1298 CZ TYR A 75 -4.785 -11.328 2.146 1.00 1.13 C ATOM 1299 OH TYR A 75 -4.688 -11.769 0.846 1.00 3.04 O ATOM 0 H TYR A 75 -7.911 -9.995 6.317 1.00 14.02 H new ATOM 0 HA TYR A 75 -5.705 -11.726 7.266 1.00 61.15 H new ATOM 0 HB2 TYR A 75 -5.383 -8.890 6.194 1.00 34.43 H new ATOM 0 HB3 TYR A 75 -4.103 -9.989 6.671 1.00 34.43 H new ATOM 0 HD1 TYR A 75 -3.711 -12.096 5.242 1.00 24.25 H new ATOM 0 HD2 TYR A 75 -6.227 -8.897 3.963 1.00 51.01 H new ATOM 0 HE1 TYR A 75 -3.534 -12.879 2.920 1.00 34.02 H new ATOM 0 HE2 TYR A 75 -6.052 -9.683 1.646 1.00 53.35 H new ATOM 0 HH TYR A 75 -4.481 -11.012 0.259 1.00 3.04 H new ATOM 1309 N PRO A 76 -6.902 -10.656 9.430 1.00 41.41 N ATOM 1310 CA PRO A 76 -7.122 -10.053 10.761 1.00 11.14 C ATOM 1311 C PRO A 76 -5.815 -9.872 11.555 1.00 30.23 C ATOM 1312 O PRO A 76 -5.756 -9.096 12.509 1.00 32.43 O ATOM 1313 CB PRO A 76 -8.049 -11.061 11.458 1.00 63.11 C ATOM 1314 CG PRO A 76 -7.783 -12.359 10.771 1.00 12.24 C ATOM 1315 CD PRO A 76 -7.473 -12.013 9.339 1.00 4.52 C ATOM 0 HA PRO A 76 -7.540 -9.049 10.688 1.00 11.14 H new ATOM 0 HB2 PRO A 76 -7.833 -11.126 12.524 1.00 63.11 H new ATOM 0 HB3 PRO A 76 -9.095 -10.769 11.362 1.00 63.11 H new ATOM 0 HG2 PRO A 76 -6.948 -12.883 11.236 1.00 12.24 H new ATOM 0 HG3 PRO A 76 -8.648 -13.019 10.835 1.00 12.24 H new ATOM 0 HD2 PRO A 76 -6.767 -12.717 8.900 1.00 4.52 H new ATOM 0 HD3 PRO A 76 -8.369 -12.031 8.718 1.00 4.52 H new ATOM 1323 N GLN A 77 -4.775 -10.604 11.156 1.00 3.31 N ATOM 1324 CA GLN A 77 -3.447 -10.487 11.774 1.00 14.44 C ATOM 1325 C GLN A 77 -2.663 -9.284 11.228 1.00 4.41 C ATOM 1326 O GLN A 77 -1.712 -8.822 11.854 1.00 14.52 O ATOM 1327 CB GLN A 77 -2.653 -11.782 11.546 1.00 73.33 C ATOM 1328 CG GLN A 77 -2.913 -12.859 12.593 1.00 44.43 C ATOM 1329 CD GLN A 77 -2.416 -12.469 13.978 1.00 0.14 C ATOM 1330 OE1 GLN A 77 -1.342 -11.703 14.039 1.00 75.51 O flip ATOM 1331 NE2 GLN A 77 -2.985 -12.867 14.990 1.00 34.32 N flip ATOM 0 H GLN A 77 -4.824 -11.290 10.403 1.00 3.31 H new ATOM 0 HA GLN A 77 -3.590 -10.326 12.842 1.00 14.44 H new ATOM 0 HB2 GLN A 77 -2.900 -12.179 10.561 1.00 73.33 H new ATOM 0 HB3 GLN A 77 -1.589 -11.547 11.537 1.00 73.33 H new ATOM 0 HG2 GLN A 77 -3.983 -13.062 12.640 1.00 44.43 H new ATOM 0 HG3 GLN A 77 -2.426 -13.784 12.285 1.00 44.43 H new ATOM 0 HE21 GLN A 77 -3.813 -13.458 14.911 1.00 34.32 H new ATOM 0 HE22 GLN A 77 -2.630 -12.607 15.910 1.00 34.32 H new ATOM 1340 N LEU A 78 -3.065 -8.800 10.051 1.00 20.13 N ATOM 1341 CA LEU A 78 -2.426 -7.639 9.409 1.00 12.34 C ATOM 1342 C LEU A 78 -0.937 -7.889 9.070 1.00 54.11 C ATOM 1343 O LEU A 78 -0.213 -6.959 8.713 1.00 11.41 O ATOM 1344 CB LEU A 78 -2.572 -6.393 10.303 1.00 23.52 C ATOM 1345 CG LEU A 78 -4.011 -6.059 10.745 1.00 24.11 C ATOM 1346 CD1 LEU A 78 -4.034 -4.809 11.617 1.00 4.44 C ATOM 1347 CD2 LEU A 78 -4.930 -5.885 9.539 1.00 61.43 C ATOM 0 H LEU A 78 -3.837 -9.196 9.515 1.00 20.13 H new ATOM 0 HA LEU A 78 -2.941 -7.471 8.463 1.00 12.34 H new ATOM 0 HB2 LEU A 78 -1.960 -6.533 11.194 1.00 23.52 H new ATOM 0 HB3 LEU A 78 -2.166 -5.534 9.769 1.00 23.52 H new ATOM 0 HG LEU A 78 -4.380 -6.898 11.335 1.00 24.11 H new ATOM 0 HD11 LEU A 78 -5.060 -4.593 11.917 1.00 4.44 H new ATOM 0 HD12 LEU A 78 -3.424 -4.974 12.505 1.00 4.44 H new ATOM 0 HD13 LEU A 78 -3.635 -3.965 11.054 1.00 4.44 H new ATOM 0 HD21 LEU A 78 -5.938 -5.650 9.881 1.00 61.43 H new ATOM 0 HD22 LEU A 78 -4.560 -5.072 8.914 1.00 61.43 H new ATOM 0 HD23 LEU A 78 -4.949 -6.808 8.960 1.00 61.43 H new ATOM 1359 N ASP A 79 -0.491 -9.151 9.148 1.00 73.42 N ATOM 1360 CA ASP A 79 0.900 -9.521 8.817 1.00 64.55 C ATOM 1361 C ASP A 79 1.166 -9.514 7.291 1.00 0.42 C ATOM 1362 O ASP A 79 1.925 -10.344 6.782 1.00 13.52 O ATOM 1363 CB ASP A 79 1.226 -10.916 9.383 1.00 41.32 C ATOM 1364 CG ASP A 79 1.407 -10.935 10.895 1.00 0.12 C ATOM 1365 OD1 ASP A 79 2.545 -10.722 11.367 1.00 21.11 O ATOM 1366 OD2 ASP A 79 0.426 -11.206 11.618 1.00 62.41 O ATOM 0 H ASP A 79 -1.072 -9.937 9.438 1.00 73.42 H new ATOM 0 HA ASP A 79 1.545 -8.769 9.272 1.00 64.55 H new ATOM 0 HB2 ASP A 79 0.425 -11.604 9.113 1.00 41.32 H new ATOM 0 HB3 ASP A 79 2.137 -11.286 8.912 1.00 41.32 H new ATOM 1371 N VAL A 80 0.566 -8.571 6.563 1.00 73.33 N ATOM 1372 CA VAL A 80 0.745 -8.479 5.106 1.00 45.45 C ATOM 1373 C VAL A 80 1.041 -7.036 4.661 1.00 63.00 C ATOM 1374 O VAL A 80 0.665 -6.074 5.334 1.00 31.34 O ATOM 1375 CB VAL A 80 -0.502 -8.999 4.337 1.00 43.32 C ATOM 1376 CG1 VAL A 80 -0.774 -10.469 4.659 1.00 53.01 C ATOM 1377 CG2 VAL A 80 -1.733 -8.142 4.636 1.00 73.21 C ATOM 0 H VAL A 80 -0.049 -7.858 6.955 1.00 73.33 H new ATOM 0 HA VAL A 80 1.600 -9.111 4.864 1.00 45.45 H new ATOM 0 HB VAL A 80 -0.288 -8.920 3.271 1.00 43.32 H new ATOM 0 HG11 VAL A 80 -1.652 -10.806 4.107 1.00 53.01 H new ATOM 0 HG12 VAL A 80 0.088 -11.070 4.371 1.00 53.01 H new ATOM 0 HG13 VAL A 80 -0.953 -10.580 5.728 1.00 53.01 H new ATOM 0 HG21 VAL A 80 -2.589 -8.530 4.084 1.00 73.21 H new ATOM 0 HG22 VAL A 80 -1.946 -8.172 5.705 1.00 73.21 H new ATOM 0 HG23 VAL A 80 -1.542 -7.113 4.333 1.00 73.21 H new ATOM 1387 N VAL A 81 1.716 -6.895 3.522 1.00 72.43 N ATOM 1388 CA VAL A 81 2.047 -5.574 2.972 1.00 70.11 C ATOM 1389 C VAL A 81 1.063 -5.171 1.863 1.00 1.32 C ATOM 1390 O VAL A 81 1.029 -5.789 0.800 1.00 54.12 O ATOM 1391 CB VAL A 81 3.487 -5.547 2.401 1.00 24.31 C ATOM 1392 CG1 VAL A 81 3.810 -4.181 1.791 1.00 51.43 C ATOM 1393 CG2 VAL A 81 4.503 -5.918 3.479 1.00 62.14 C ATOM 0 H VAL A 81 2.047 -7.678 2.958 1.00 72.43 H new ATOM 0 HA VAL A 81 1.974 -4.862 3.794 1.00 70.11 H new ATOM 0 HB VAL A 81 3.549 -6.290 1.606 1.00 24.31 H new ATOM 0 HG11 VAL A 81 4.827 -4.189 1.398 1.00 51.43 H new ATOM 0 HG12 VAL A 81 3.110 -3.969 0.983 1.00 51.43 H new ATOM 0 HG13 VAL A 81 3.724 -3.411 2.557 1.00 51.43 H new ATOM 0 HG21 VAL A 81 5.507 -5.893 3.056 1.00 62.14 H new ATOM 0 HG22 VAL A 81 4.437 -5.206 4.301 1.00 62.14 H new ATOM 0 HG23 VAL A 81 4.290 -6.921 3.850 1.00 62.14 H new ATOM 1403 N VAL A 82 0.270 -4.135 2.118 1.00 63.31 N ATOM 1404 CA VAL A 82 -0.704 -3.643 1.135 1.00 2.12 C ATOM 1405 C VAL A 82 -0.132 -2.462 0.329 1.00 51.54 C ATOM 1406 O VAL A 82 0.032 -1.363 0.854 1.00 33.54 O ATOM 1407 CB VAL A 82 -2.024 -3.205 1.823 1.00 11.15 C ATOM 1408 CG1 VAL A 82 -3.043 -2.721 0.792 1.00 44.43 C ATOM 1409 CG2 VAL A 82 -2.598 -4.345 2.665 1.00 3.11 C ATOM 0 H VAL A 82 0.279 -3.616 2.996 1.00 63.31 H new ATOM 0 HA VAL A 82 -0.916 -4.468 0.455 1.00 2.12 H new ATOM 0 HB VAL A 82 -1.800 -2.371 2.488 1.00 11.15 H new ATOM 0 HG11 VAL A 82 -3.959 -2.420 1.300 1.00 44.43 H new ATOM 0 HG12 VAL A 82 -2.633 -1.870 0.247 1.00 44.43 H new ATOM 0 HG13 VAL A 82 -3.264 -3.527 0.093 1.00 44.43 H new ATOM 0 HG21 VAL A 82 -3.523 -4.017 3.139 1.00 3.11 H new ATOM 0 HG22 VAL A 82 -2.802 -5.203 2.025 1.00 3.11 H new ATOM 0 HG23 VAL A 82 -1.878 -4.629 3.433 1.00 3.11 H new ATOM 1419 N ILE A 83 0.177 -2.696 -0.945 1.00 1.52 N ATOM 1420 CA ILE A 83 0.746 -1.654 -1.813 1.00 62.11 C ATOM 1421 C ILE A 83 -0.317 -1.069 -2.758 1.00 22.03 C ATOM 1422 O ILE A 83 -0.930 -1.793 -3.539 1.00 34.33 O ATOM 1423 CB ILE A 83 1.919 -2.207 -2.663 1.00 62.52 C ATOM 1424 CG1 ILE A 83 2.979 -2.860 -1.758 1.00 22.12 C ATOM 1425 CG2 ILE A 83 2.542 -1.093 -3.510 1.00 34.03 C ATOM 1426 CD1 ILE A 83 4.120 -3.504 -2.518 1.00 32.13 C ATOM 0 H ILE A 83 0.045 -3.597 -1.404 1.00 1.52 H new ATOM 0 HA ILE A 83 1.115 -0.867 -1.155 1.00 62.11 H new ATOM 0 HB ILE A 83 1.527 -2.969 -3.337 1.00 62.52 H new ATOM 0 HG12 ILE A 83 3.384 -2.104 -1.085 1.00 22.12 H new ATOM 0 HG13 ILE A 83 2.497 -3.615 -1.136 1.00 22.12 H new ATOM 0 HG21 ILE A 83 3.363 -1.500 -4.100 1.00 34.03 H new ATOM 0 HG22 ILE A 83 1.787 -0.678 -4.178 1.00 34.03 H new ATOM 0 HG23 ILE A 83 2.920 -0.307 -2.856 1.00 34.03 H new ATOM 0 HD11 ILE A 83 4.826 -3.942 -1.812 1.00 32.13 H new ATOM 0 HD12 ILE A 83 3.728 -4.284 -3.171 1.00 32.13 H new ATOM 0 HD13 ILE A 83 4.629 -2.750 -3.119 1.00 32.13 H new ATOM 1438 N VAL A 84 -0.530 0.242 -2.682 1.00 24.23 N ATOM 1439 CA VAL A 84 -1.500 0.931 -3.542 1.00 35.14 C ATOM 1440 C VAL A 84 -0.791 1.873 -4.532 1.00 20.52 C ATOM 1441 O VAL A 84 0.038 2.698 -4.137 1.00 42.22 O ATOM 1442 CB VAL A 84 -2.507 1.752 -2.698 1.00 71.43 C ATOM 1443 CG1 VAL A 84 -3.656 2.262 -3.566 1.00 3.31 C ATOM 1444 CG2 VAL A 84 -3.027 0.928 -1.519 1.00 35.14 C ATOM 0 H VAL A 84 -0.042 0.856 -2.030 1.00 24.23 H new ATOM 0 HA VAL A 84 -2.038 0.163 -4.098 1.00 35.14 H new ATOM 0 HB VAL A 84 -1.985 2.619 -2.294 1.00 71.43 H new ATOM 0 HG11 VAL A 84 -4.350 2.835 -2.951 1.00 3.31 H new ATOM 0 HG12 VAL A 84 -3.260 2.899 -4.356 1.00 3.31 H new ATOM 0 HG13 VAL A 84 -4.180 1.416 -4.011 1.00 3.31 H new ATOM 0 HG21 VAL A 84 -3.732 1.525 -0.941 1.00 35.14 H new ATOM 0 HG22 VAL A 84 -3.528 0.035 -1.892 1.00 35.14 H new ATOM 0 HG23 VAL A 84 -2.192 0.636 -0.883 1.00 35.14 H new ATOM 1454 N THR A 85 -1.128 1.762 -5.815 1.00 35.01 N ATOM 1455 CA THR A 85 -0.447 2.545 -6.857 1.00 4.04 C ATOM 1456 C THR A 85 -1.117 3.905 -7.107 1.00 41.31 C ATOM 1457 O THR A 85 -1.726 4.138 -8.155 1.00 20.52 O ATOM 1458 CB THR A 85 -0.362 1.761 -8.189 1.00 44.13 C ATOM 1459 OG1 THR A 85 -1.671 1.567 -8.749 1.00 14.24 O ATOM 1460 CG2 THR A 85 0.294 0.406 -7.967 1.00 61.24 C ATOM 0 H THR A 85 -1.862 1.144 -6.162 1.00 35.01 H new ATOM 0 HA THR A 85 0.560 2.728 -6.482 1.00 4.04 H new ATOM 0 HB THR A 85 0.241 2.346 -8.884 1.00 44.13 H new ATOM 0 HG1 THR A 85 -2.167 2.412 -8.722 1.00 14.24 H new ATOM 0 HG21 THR A 85 0.346 -0.132 -8.913 1.00 61.24 H new ATOM 0 HG22 THR A 85 1.301 0.549 -7.575 1.00 61.24 H new ATOM 0 HG23 THR A 85 -0.294 -0.171 -7.253 1.00 61.24 H new ATOM 1468 N THR A 86 -0.992 4.812 -6.138 1.00 13.30 N ATOM 1469 CA THR A 86 -1.573 6.156 -6.258 1.00 21.42 C ATOM 1470 C THR A 86 -0.862 7.175 -5.364 1.00 41.34 C ATOM 1471 O THR A 86 -0.214 6.817 -4.378 1.00 52.22 O ATOM 1472 CB THR A 86 -3.082 6.174 -5.918 1.00 15.14 C ATOM 1473 OG1 THR A 86 -3.603 7.506 -6.056 1.00 13.45 O ATOM 1474 CG2 THR A 86 -3.335 5.677 -4.498 1.00 1.50 C ATOM 0 H THR A 86 -0.496 4.645 -5.263 1.00 13.30 H new ATOM 0 HA THR A 86 -1.437 6.436 -7.303 1.00 21.42 H new ATOM 0 HB THR A 86 -3.588 5.506 -6.615 1.00 15.14 H new ATOM 0 HG1 THR A 86 -4.559 7.507 -5.840 1.00 13.45 H new ATOM 0 HG21 THR A 86 -4.405 5.702 -4.289 1.00 1.50 H new ATOM 0 HG22 THR A 86 -2.969 4.655 -4.400 1.00 1.50 H new ATOM 0 HG23 THR A 86 -2.812 6.319 -3.789 1.00 1.50 H new ATOM 1482 N ASP A 87 -0.999 8.447 -5.728 1.00 62.23 N ATOM 1483 CA ASP A 87 -0.427 9.563 -4.967 1.00 21.24 C ATOM 1484 C ASP A 87 -1.560 10.473 -4.436 1.00 74.14 C ATOM 1485 O ASP A 87 -1.328 11.595 -3.980 1.00 15.11 O ATOM 1486 CB ASP A 87 0.533 10.344 -5.888 1.00 33.24 C ATOM 1487 CG ASP A 87 1.415 11.343 -5.152 1.00 64.24 C ATOM 1488 OD1 ASP A 87 2.271 10.911 -4.353 1.00 40.24 O ATOM 1489 OD2 ASP A 87 1.275 12.565 -5.392 1.00 21.45 O ATOM 0 H ASP A 87 -1.511 8.738 -6.561 1.00 62.23 H new ATOM 0 HA ASP A 87 0.130 9.191 -4.107 1.00 21.24 H new ATOM 0 HB2 ASP A 87 1.168 9.635 -6.419 1.00 33.24 H new ATOM 0 HB3 ASP A 87 -0.051 10.874 -6.640 1.00 33.24 H new ATOM 1494 N ASP A 88 -2.795 9.960 -4.487 1.00 54.01 N ATOM 1495 CA ASP A 88 -3.986 10.734 -4.111 1.00 72.33 C ATOM 1496 C ASP A 88 -4.276 10.665 -2.595 1.00 62.43 C ATOM 1497 O ASP A 88 -4.273 9.587 -1.988 1.00 44.34 O ATOM 1498 CB ASP A 88 -5.194 10.227 -4.901 1.00 41.42 C ATOM 1499 CG ASP A 88 -6.409 11.114 -4.731 1.00 24.51 C ATOM 1500 OD1 ASP A 88 -7.122 10.959 -3.730 1.00 41.40 O ATOM 1501 OD2 ASP A 88 -6.650 11.982 -5.598 1.00 73.50 O ATOM 0 H ASP A 88 -2.997 9.006 -4.787 1.00 54.01 H new ATOM 0 HA ASP A 88 -3.793 11.779 -4.353 1.00 72.33 H new ATOM 0 HB2 ASP A 88 -4.935 10.169 -5.958 1.00 41.42 H new ATOM 0 HB3 ASP A 88 -5.438 9.215 -4.577 1.00 41.42 H new ATOM 1506 N LYS A 89 -4.571 11.824 -2.001 1.00 72.54 N ATOM 1507 CA LYS A 89 -4.785 11.919 -0.553 1.00 53.50 C ATOM 1508 C LYS A 89 -6.173 11.400 -0.133 1.00 5.54 C ATOM 1509 O LYS A 89 -6.349 10.926 0.991 1.00 62.25 O ATOM 1510 CB LYS A 89 -4.594 13.368 -0.081 1.00 35.25 C ATOM 1511 CG LYS A 89 -5.684 14.333 -0.543 1.00 13.24 C ATOM 1512 CD LYS A 89 -5.418 15.755 -0.061 1.00 2.10 C ATOM 1513 CE LYS A 89 -5.398 15.860 1.460 1.00 71.21 C ATOM 1514 NZ LYS A 89 -5.054 17.235 1.910 1.00 10.53 N ATOM 0 H LYS A 89 -4.667 12.709 -2.499 1.00 72.54 H new ATOM 0 HA LYS A 89 -4.042 11.281 -0.074 1.00 53.50 H new ATOM 0 HB2 LYS A 89 -4.554 13.380 1.008 1.00 35.25 H new ATOM 0 HB3 LYS A 89 -3.630 13.730 -0.440 1.00 35.25 H new ATOM 0 HG2 LYS A 89 -5.742 14.322 -1.631 1.00 13.24 H new ATOM 0 HG3 LYS A 89 -6.651 13.996 -0.169 1.00 13.24 H new ATOM 0 HD2 LYS A 89 -4.463 16.098 -0.459 1.00 2.10 H new ATOM 0 HD3 LYS A 89 -6.185 16.420 -0.458 1.00 2.10 H new ATOM 0 HE2 LYS A 89 -6.374 15.580 1.857 1.00 71.21 H new ATOM 0 HE3 LYS A 89 -4.674 15.153 1.865 1.00 71.21 H new ATOM 0 HZ1 LYS A 89 -5.501 17.421 2.830 1.00 10.53 H new ATOM 0 HZ2 LYS A 89 -4.022 17.322 2.003 1.00 10.53 H new ATOM 0 HZ3 LYS A 89 -5.398 17.925 1.212 1.00 10.53 H new ATOM 1528 N GLU A 90 -7.157 11.482 -1.031 1.00 72.15 N ATOM 1529 CA GLU A 90 -8.504 10.976 -0.740 1.00 12.50 C ATOM 1530 C GLU A 90 -8.476 9.450 -0.603 1.00 24.12 C ATOM 1531 O GLU A 90 -9.122 8.881 0.278 1.00 13.40 O ATOM 1532 CB GLU A 90 -9.500 11.393 -1.833 1.00 3.14 C ATOM 1533 CG GLU A 90 -9.754 12.896 -1.910 1.00 62.33 C ATOM 1534 CD GLU A 90 -10.419 13.443 -0.655 1.00 64.40 C ATOM 1535 OE1 GLU A 90 -11.647 13.274 -0.507 1.00 30.22 O ATOM 1536 OE2 GLU A 90 -9.717 14.037 0.190 1.00 63.11 O ATOM 0 H GLU A 90 -7.050 11.890 -1.960 1.00 72.15 H new ATOM 0 HA GLU A 90 -8.834 11.412 0.203 1.00 12.50 H new ATOM 0 HB2 GLU A 90 -9.128 11.049 -2.798 1.00 3.14 H new ATOM 0 HB3 GLU A 90 -10.448 10.884 -1.658 1.00 3.14 H new ATOM 0 HG2 GLU A 90 -8.808 13.413 -2.070 1.00 62.33 H new ATOM 0 HG3 GLU A 90 -10.384 13.110 -2.773 1.00 62.33 H new ATOM 1543 N TRP A 91 -7.708 8.797 -1.474 1.00 3.30 N ATOM 1544 CA TRP A 91 -7.484 7.352 -1.377 1.00 61.14 C ATOM 1545 C TRP A 91 -6.807 6.995 -0.043 1.00 20.54 C ATOM 1546 O TRP A 91 -7.248 6.087 0.665 1.00 75.12 O ATOM 1547 CB TRP A 91 -6.630 6.863 -2.558 1.00 32.24 C ATOM 1548 CG TRP A 91 -7.350 6.892 -3.880 1.00 72.14 C ATOM 1549 CD1 TRP A 91 -8.053 7.937 -4.416 1.00 71.55 C ATOM 1550 CD2 TRP A 91 -7.435 5.825 -4.833 1.00 34.24 C ATOM 1551 NE1 TRP A 91 -8.567 7.583 -5.639 1.00 64.40 N ATOM 1552 CE2 TRP A 91 -8.201 6.292 -5.918 1.00 73.21 C ATOM 1553 CE3 TRP A 91 -6.936 4.518 -4.876 1.00 50.53 C ATOM 1554 CZ2 TRP A 91 -8.480 5.500 -7.030 1.00 52.04 C ATOM 1555 CZ3 TRP A 91 -7.214 3.734 -5.980 1.00 33.01 C ATOM 1556 CH2 TRP A 91 -7.980 4.228 -7.044 1.00 34.50 C ATOM 0 H TRP A 91 -7.229 9.244 -2.256 1.00 3.30 H new ATOM 0 HA TRP A 91 -8.452 6.852 -1.415 1.00 61.14 H new ATOM 0 HB2 TRP A 91 -5.735 7.482 -2.628 1.00 32.24 H new ATOM 0 HB3 TRP A 91 -6.298 5.844 -2.357 1.00 32.24 H new ATOM 0 HD1 TRP A 91 -8.184 8.900 -3.945 1.00 71.55 H new ATOM 0 HE1 TRP A 91 -9.130 8.183 -6.242 1.00 64.40 H new ATOM 0 HE3 TRP A 91 -6.344 4.129 -4.061 1.00 50.53 H new ATOM 0 HZ2 TRP A 91 -9.070 5.878 -7.852 1.00 52.04 H new ATOM 0 HZ3 TRP A 91 -6.834 2.724 -6.023 1.00 33.01 H new ATOM 0 HH2 TRP A 91 -8.180 3.591 -7.893 1.00 34.50 H new ATOM 1567 N ILE A 92 -5.738 7.720 0.302 1.00 14.33 N ATOM 1568 CA ILE A 92 -5.084 7.554 1.610 1.00 13.22 C ATOM 1569 C ILE A 92 -6.102 7.713 2.758 1.00 34.14 C ATOM 1570 O ILE A 92 -6.063 6.985 3.754 1.00 4.11 O ATOM 1571 CB ILE A 92 -3.929 8.577 1.803 1.00 51.34 C ATOM 1572 CG1 ILE A 92 -2.875 8.415 0.692 1.00 30.33 C ATOM 1573 CG2 ILE A 92 -3.286 8.420 3.184 1.00 70.51 C ATOM 1574 CD1 ILE A 92 -1.728 9.404 0.780 1.00 70.12 C ATOM 0 H ILE A 92 -5.308 8.423 -0.299 1.00 14.33 H new ATOM 0 HA ILE A 92 -4.667 6.547 1.633 1.00 13.22 H new ATOM 0 HB ILE A 92 -4.348 9.581 1.738 1.00 51.34 H new ATOM 0 HG12 ILE A 92 -2.472 7.403 0.732 1.00 30.33 H new ATOM 0 HG13 ILE A 92 -3.363 8.526 -0.276 1.00 30.33 H new ATOM 0 HG21 ILE A 92 -2.481 9.146 3.295 1.00 70.51 H new ATOM 0 HG22 ILE A 92 -4.037 8.589 3.956 1.00 70.51 H new ATOM 0 HG23 ILE A 92 -2.882 7.413 3.285 1.00 70.51 H new ATOM 0 HD11 ILE A 92 -1.029 9.224 -0.037 1.00 70.12 H new ATOM 0 HD12 ILE A 92 -2.117 10.420 0.708 1.00 70.12 H new ATOM 0 HD13 ILE A 92 -1.213 9.280 1.732 1.00 70.12 H new ATOM 1586 N LYS A 93 -7.018 8.666 2.595 1.00 14.33 N ATOM 1587 CA LYS A 93 -8.082 8.916 3.575 1.00 60.14 C ATOM 1588 C LYS A 93 -9.037 7.713 3.704 1.00 75.04 C ATOM 1589 O LYS A 93 -9.345 7.274 4.813 1.00 32.40 O ATOM 1590 CB LYS A 93 -8.870 10.168 3.168 1.00 44.05 C ATOM 1591 CG LYS A 93 -10.018 10.526 4.107 1.00 23.44 C ATOM 1592 CD LYS A 93 -10.813 11.722 3.587 1.00 73.30 C ATOM 1593 CE LYS A 93 -11.450 11.435 2.228 1.00 5.02 C ATOM 1594 NZ LYS A 93 -12.543 10.430 2.320 1.00 13.24 N ATOM 0 H LYS A 93 -7.047 9.286 1.785 1.00 14.33 H new ATOM 0 HA LYS A 93 -7.614 9.070 4.547 1.00 60.14 H new ATOM 0 HB2 LYS A 93 -8.183 11.013 3.115 1.00 44.05 H new ATOM 0 HB3 LYS A 93 -9.270 10.020 2.165 1.00 44.05 H new ATOM 0 HG2 LYS A 93 -10.680 9.668 4.218 1.00 23.44 H new ATOM 0 HG3 LYS A 93 -9.623 10.753 5.097 1.00 23.44 H new ATOM 0 HD2 LYS A 93 -11.591 11.981 4.305 1.00 73.30 H new ATOM 0 HD3 LYS A 93 -10.155 12.587 3.504 1.00 73.30 H new ATOM 0 HE2 LYS A 93 -11.845 12.361 1.811 1.00 5.02 H new ATOM 0 HE3 LYS A 93 -10.686 11.076 1.539 1.00 5.02 H new ATOM 0 HZ1 LYS A 93 -12.557 9.853 1.455 1.00 13.24 H new ATOM 0 HZ2 LYS A 93 -12.382 9.816 3.144 1.00 13.24 H new ATOM 0 HZ3 LYS A 93 -13.455 10.918 2.426 1.00 13.24 H new ATOM 1608 N ASP A 94 -9.499 7.186 2.565 1.00 0.41 N ATOM 1609 CA ASP A 94 -10.423 6.044 2.557 1.00 22.53 C ATOM 1610 C ASP A 94 -9.864 4.845 3.346 1.00 51.12 C ATOM 1611 O ASP A 94 -10.602 4.174 4.077 1.00 73.23 O ATOM 1612 CB ASP A 94 -10.750 5.623 1.117 1.00 72.31 C ATOM 1613 CG ASP A 94 -11.680 6.605 0.422 1.00 24.41 C ATOM 1614 OD1 ASP A 94 -12.773 6.871 0.966 1.00 45.24 O ATOM 1615 OD2 ASP A 94 -11.344 7.097 -0.672 1.00 12.44 O ATOM 0 H ASP A 94 -9.250 7.530 1.638 1.00 0.41 H new ATOM 0 HA ASP A 94 -11.339 6.368 3.051 1.00 22.53 H new ATOM 0 HB2 ASP A 94 -9.825 5.538 0.547 1.00 72.31 H new ATOM 0 HB3 ASP A 94 -11.211 4.635 1.126 1.00 72.31 H new ATOM 1620 N PHE A 95 -8.562 4.586 3.203 1.00 24.41 N ATOM 1621 CA PHE A 95 -7.914 3.490 3.928 1.00 64.53 C ATOM 1622 C PHE A 95 -8.026 3.698 5.449 1.00 4.33 C ATOM 1623 O PHE A 95 -8.326 2.763 6.197 1.00 33.34 O ATOM 1624 CB PHE A 95 -6.437 3.374 3.514 1.00 14.42 C ATOM 1625 CG PHE A 95 -5.750 2.144 4.056 1.00 70.31 C ATOM 1626 CD1 PHE A 95 -5.121 2.165 5.293 1.00 14.12 C ATOM 1627 CD2 PHE A 95 -5.744 0.963 3.328 1.00 10.03 C ATOM 1628 CE1 PHE A 95 -4.504 1.035 5.791 1.00 15.33 C ATOM 1629 CE2 PHE A 95 -5.126 -0.170 3.821 1.00 11.41 C ATOM 1630 CZ PHE A 95 -4.505 -0.134 5.055 1.00 50.34 C ATOM 0 H PHE A 95 -7.938 5.117 2.595 1.00 24.41 H new ATOM 0 HA PHE A 95 -8.425 2.562 3.671 1.00 64.53 H new ATOM 0 HB2 PHE A 95 -6.373 3.365 2.426 1.00 14.42 H new ATOM 0 HB3 PHE A 95 -5.902 4.259 3.857 1.00 14.42 H new ATOM 0 HD1 PHE A 95 -5.114 3.076 5.873 1.00 14.12 H new ATOM 0 HD2 PHE A 95 -6.229 0.929 2.363 1.00 10.03 H new ATOM 0 HE1 PHE A 95 -4.020 1.065 6.756 1.00 15.33 H new ATOM 0 HE2 PHE A 95 -5.128 -1.082 3.243 1.00 11.41 H new ATOM 0 HZ PHE A 95 -4.021 -1.018 5.443 1.00 50.34 H new ATOM 1640 N ILE A 96 -7.790 4.931 5.898 1.00 3.14 N ATOM 1641 CA ILE A 96 -7.877 5.266 7.324 1.00 44.14 C ATOM 1642 C ILE A 96 -9.319 5.153 7.843 1.00 13.53 C ATOM 1643 O ILE A 96 -9.576 4.439 8.810 1.00 10.05 O ATOM 1644 CB ILE A 96 -7.344 6.691 7.615 1.00 14.51 C ATOM 1645 CG1 ILE A 96 -5.863 6.801 7.217 1.00 72.23 C ATOM 1646 CG2 ILE A 96 -7.533 7.051 9.093 1.00 71.43 C ATOM 1647 CD1 ILE A 96 -5.242 8.143 7.545 1.00 23.34 C ATOM 0 H ILE A 96 -7.537 5.715 5.297 1.00 3.14 H new ATOM 0 HA ILE A 96 -7.251 4.543 7.846 1.00 44.14 H new ATOM 0 HB ILE A 96 -7.917 7.400 7.017 1.00 14.51 H new ATOM 0 HG12 ILE A 96 -5.301 6.017 7.724 1.00 72.23 H new ATOM 0 HG13 ILE A 96 -5.769 6.619 6.146 1.00 72.23 H new ATOM 0 HG21 ILE A 96 -7.152 8.056 9.274 1.00 71.43 H new ATOM 0 HG22 ILE A 96 -8.593 7.014 9.344 1.00 71.43 H new ATOM 0 HG23 ILE A 96 -6.989 6.339 9.713 1.00 71.43 H new ATOM 0 HD11 ILE A 96 -4.197 8.146 7.236 1.00 23.34 H new ATOM 0 HD12 ILE A 96 -5.779 8.931 7.017 1.00 23.34 H new ATOM 0 HD13 ILE A 96 -5.303 8.319 8.619 1.00 23.34 H new ATOM 1659 N GLU A 97 -10.253 5.849 7.190 1.00 21.32 N ATOM 1660 CA GLU A 97 -11.664 5.860 7.617 1.00 1.30 C ATOM 1661 C GLU A 97 -12.195 4.437 7.864 1.00 54.33 C ATOM 1662 O GLU A 97 -12.824 4.162 8.897 1.00 11.31 O ATOM 1663 CB GLU A 97 -12.531 6.562 6.565 1.00 51.03 C ATOM 1664 CG GLU A 97 -12.144 8.015 6.316 1.00 22.34 C ATOM 1665 CD GLU A 97 -13.014 8.675 5.260 1.00 72.11 C ATOM 1666 OE1 GLU A 97 -12.770 8.450 4.058 1.00 40.14 O ATOM 1667 OE2 GLU A 97 -13.952 9.414 5.628 1.00 22.34 O ATOM 0 H GLU A 97 -10.062 6.414 6.363 1.00 21.32 H new ATOM 0 HA GLU A 97 -11.718 6.408 8.558 1.00 1.30 H new ATOM 0 HB2 GLU A 97 -12.463 6.012 5.626 1.00 51.03 H new ATOM 0 HB3 GLU A 97 -13.573 6.523 6.882 1.00 51.03 H new ATOM 0 HG2 GLU A 97 -12.223 8.574 7.249 1.00 22.34 H new ATOM 0 HG3 GLU A 97 -11.101 8.062 6.004 1.00 22.34 H new ATOM 1674 N GLU A 98 -11.936 3.539 6.912 1.00 75.42 N ATOM 1675 CA GLU A 98 -12.283 2.125 7.069 1.00 70.34 C ATOM 1676 C GLU A 98 -11.622 1.532 8.322 1.00 3.42 C ATOM 1677 O GLU A 98 -12.305 1.043 9.221 1.00 72.12 O ATOM 1678 CB GLU A 98 -11.857 1.324 5.826 1.00 74.43 C ATOM 1679 CG GLU A 98 -12.781 1.496 4.620 1.00 64.34 C ATOM 1680 CD GLU A 98 -14.179 0.936 4.864 1.00 13.14 C ATOM 1681 OE1 GLU A 98 -14.291 -0.111 5.540 1.00 54.24 O ATOM 1682 OE2 GLU A 98 -15.166 1.529 4.372 1.00 73.34 O ATOM 0 H GLU A 98 -11.487 3.765 6.024 1.00 75.42 H new ATOM 0 HA GLU A 98 -13.365 2.057 7.183 1.00 70.34 H new ATOM 0 HB2 GLU A 98 -10.849 1.625 5.542 1.00 74.43 H new ATOM 0 HB3 GLU A 98 -11.813 0.267 6.087 1.00 74.43 H new ATOM 0 HG2 GLU A 98 -12.856 2.555 4.374 1.00 64.34 H new ATOM 0 HG3 GLU A 98 -12.340 0.998 3.756 1.00 64.34 H new ATOM 1689 N ALA A 99 -10.294 1.611 8.387 1.00 23.32 N ATOM 1690 CA ALA A 99 -9.526 1.039 9.499 1.00 52.22 C ATOM 1691 C ALA A 99 -10.033 1.513 10.874 1.00 61.13 C ATOM 1692 O ALA A 99 -10.286 0.695 11.765 1.00 12.10 O ATOM 1693 CB ALA A 99 -8.054 1.379 9.336 1.00 33.43 C ATOM 0 H ALA A 99 -9.721 2.069 7.678 1.00 23.32 H new ATOM 0 HA ALA A 99 -9.662 -0.042 9.467 1.00 52.22 H new ATOM 0 HB1 ALA A 99 -7.488 0.952 10.164 1.00 33.43 H new ATOM 0 HB2 ALA A 99 -7.687 0.967 8.396 1.00 33.43 H new ATOM 0 HB3 ALA A 99 -7.929 2.462 9.331 1.00 33.43 H new ATOM 1699 N LYS A 100 -10.192 2.828 11.038 1.00 11.44 N ATOM 1700 CA LYS A 100 -10.692 3.398 12.300 1.00 5.34 C ATOM 1701 C LYS A 100 -12.051 2.785 12.668 1.00 33.23 C ATOM 1702 O LYS A 100 -12.324 2.493 13.834 1.00 21.22 O ATOM 1703 CB LYS A 100 -10.847 4.925 12.203 1.00 61.03 C ATOM 1704 CG LYS A 100 -9.644 5.667 11.624 1.00 22.42 C ATOM 1705 CD LYS A 100 -8.357 5.461 12.424 1.00 31.40 C ATOM 1706 CE LYS A 100 -8.463 5.959 13.865 1.00 30.12 C ATOM 1707 NZ LYS A 100 -9.095 7.300 13.969 1.00 43.40 N ATOM 0 H LYS A 100 -9.984 3.520 10.318 1.00 11.44 H new ATOM 0 HA LYS A 100 -9.959 3.164 13.072 1.00 5.34 H new ATOM 0 HB2 LYS A 100 -11.720 5.147 11.589 1.00 61.03 H new ATOM 0 HB3 LYS A 100 -11.050 5.317 13.200 1.00 61.03 H new ATOM 0 HG2 LYS A 100 -9.482 5.335 10.598 1.00 22.42 H new ATOM 0 HG3 LYS A 100 -9.870 6.733 11.582 1.00 22.42 H new ATOM 0 HD2 LYS A 100 -8.105 4.401 12.430 1.00 31.40 H new ATOM 0 HD3 LYS A 100 -7.539 5.980 11.925 1.00 31.40 H new ATOM 0 HE2 LYS A 100 -9.042 5.244 14.449 1.00 30.12 H new ATOM 0 HE3 LYS A 100 -7.466 5.998 14.305 1.00 30.12 H new ATOM 0 HZ1 LYS A 100 -9.048 7.630 14.954 1.00 43.40 H new ATOM 0 HZ2 LYS A 100 -8.590 7.970 13.355 1.00 43.40 H new ATOM 0 HZ3 LYS A 100 -10.090 7.239 13.671 1.00 43.40 H new ATOM 1721 N GLU A 101 -12.900 2.597 11.660 1.00 5.24 N ATOM 1722 CA GLU A 101 -14.224 2.003 11.859 1.00 62.35 C ATOM 1723 C GLU A 101 -14.110 0.523 12.268 1.00 33.12 C ATOM 1724 O GLU A 101 -14.857 0.033 13.118 1.00 3.20 O ATOM 1725 CB GLU A 101 -15.048 2.123 10.566 1.00 4.42 C ATOM 1726 CG GLU A 101 -16.553 1.977 10.773 1.00 72.11 C ATOM 1727 CD GLU A 101 -17.144 3.148 11.539 1.00 14.45 C ATOM 1728 OE1 GLU A 101 -17.302 4.234 10.941 1.00 41.24 O ATOM 1729 OE2 GLU A 101 -17.444 3.000 12.739 1.00 74.35 O ATOM 0 H GLU A 101 -12.695 2.848 10.693 1.00 5.24 H new ATOM 0 HA GLU A 101 -14.724 2.543 12.663 1.00 62.35 H new ATOM 0 HB2 GLU A 101 -14.847 3.091 10.108 1.00 4.42 H new ATOM 0 HB3 GLU A 101 -14.713 1.361 9.862 1.00 4.42 H new ATOM 0 HG2 GLU A 101 -17.045 1.894 9.804 1.00 72.11 H new ATOM 0 HG3 GLU A 101 -16.756 1.052 11.313 1.00 72.11 H new ATOM 1736 N ARG A 102 -13.154 -0.179 11.656 1.00 1.52 N ATOM 1737 CA ARG A 102 -12.954 -1.616 11.898 1.00 61.50 C ATOM 1738 C ARG A 102 -12.220 -1.876 13.229 1.00 60.13 C ATOM 1739 O ARG A 102 -12.192 -3.005 13.718 1.00 75.22 O ATOM 1740 CB ARG A 102 -12.162 -2.244 10.738 1.00 41.11 C ATOM 1741 CG ARG A 102 -12.712 -1.909 9.355 1.00 61.33 C ATOM 1742 CD ARG A 102 -14.141 -2.403 9.146 1.00 72.42 C ATOM 1743 NE ARG A 102 -14.701 -1.918 7.882 1.00 2.41 N ATOM 1744 CZ ARG A 102 -15.887 -2.228 7.428 1.00 42.14 C ATOM 1745 NH1 ARG A 102 -16.652 -3.056 8.065 1.00 41.22 N ATOM 1746 NH2 ARG A 102 -16.305 -1.707 6.325 1.00 12.32 N ATOM 0 H ARG A 102 -12.501 0.224 10.984 1.00 1.52 H new ATOM 0 HA ARG A 102 -13.939 -2.077 11.962 1.00 61.50 H new ATOM 0 HB2 ARG A 102 -11.126 -1.909 10.796 1.00 41.11 H new ATOM 0 HB3 ARG A 102 -12.154 -3.327 10.862 1.00 41.11 H new ATOM 0 HG2 ARG A 102 -12.682 -0.829 9.210 1.00 61.33 H new ATOM 0 HG3 ARG A 102 -12.066 -2.351 8.596 1.00 61.33 H new ATOM 0 HD2 ARG A 102 -14.155 -3.493 9.156 1.00 72.42 H new ATOM 0 HD3 ARG A 102 -14.767 -2.069 9.974 1.00 72.42 H new ATOM 0 HE ARG A 102 -14.125 -1.295 7.316 1.00 2.41 H new ATOM 0 HH11 ARG A 102 -16.332 -3.478 8.937 1.00 41.22 H new ATOM 0 HH12 ARG A 102 -17.574 -3.286 7.695 1.00 41.22 H new ATOM 0 HH21 ARG A 102 -15.711 -1.056 5.811 1.00 12.32 H new ATOM 0 HH22 ARG A 102 -17.230 -1.946 5.966 1.00 12.32 H new ATOM 1760 N GLY A 103 -11.614 -0.831 13.796 1.00 12.11 N ATOM 1761 CA GLY A 103 -10.932 -0.957 15.085 1.00 64.33 C ATOM 1762 C GLY A 103 -9.456 -1.336 14.969 1.00 25.44 C ATOM 1763 O GLY A 103 -8.855 -1.821 15.930 1.00 54.44 O ATOM 0 H GLY A 103 -11.581 0.103 13.388 1.00 12.11 H new ATOM 0 HA2 GLY A 103 -11.013 -0.012 15.622 1.00 64.33 H new ATOM 0 HA3 GLY A 103 -11.444 -1.710 15.684 1.00 64.33 H new ATOM 1767 N VAL A 104 -8.866 -1.100 13.800 1.00 52.35 N ATOM 1768 CA VAL A 104 -7.453 -1.428 13.555 1.00 51.24 C ATOM 1769 C VAL A 104 -6.603 -0.168 13.321 1.00 42.04 C ATOM 1770 O VAL A 104 -7.113 0.874 12.905 1.00 53.01 O ATOM 1771 CB VAL A 104 -7.298 -2.389 12.349 1.00 44.04 C ATOM 1772 CG1 VAL A 104 -7.733 -3.804 12.724 1.00 63.14 C ATOM 1773 CG2 VAL A 104 -8.095 -1.883 11.150 1.00 41.10 C ATOM 0 H VAL A 104 -9.342 -0.681 13.001 1.00 52.35 H new ATOM 0 HA VAL A 104 -7.091 -1.925 14.455 1.00 51.24 H new ATOM 0 HB VAL A 104 -6.244 -2.418 12.072 1.00 44.04 H new ATOM 0 HG11 VAL A 104 -7.616 -4.461 11.862 1.00 63.14 H new ATOM 0 HG12 VAL A 104 -7.116 -4.169 13.545 1.00 63.14 H new ATOM 0 HG13 VAL A 104 -8.778 -3.794 13.033 1.00 63.14 H new ATOM 0 HG21 VAL A 104 -7.972 -2.572 10.315 1.00 41.10 H new ATOM 0 HG22 VAL A 104 -9.150 -1.819 11.415 1.00 41.10 H new ATOM 0 HG23 VAL A 104 -7.732 -0.896 10.862 1.00 41.10 H new ATOM 1783 N GLU A 105 -5.305 -0.281 13.592 1.00 23.11 N ATOM 1784 CA GLU A 105 -4.381 0.855 13.500 1.00 53.10 C ATOM 1785 C GLU A 105 -3.791 0.994 12.092 1.00 23.32 C ATOM 1786 O GLU A 105 -3.509 -0.002 11.420 1.00 32.43 O ATOM 1787 CB GLU A 105 -3.244 0.691 14.513 1.00 72.45 C ATOM 1788 CG GLU A 105 -3.715 0.464 15.941 1.00 51.33 C ATOM 1789 CD GLU A 105 -2.560 0.306 16.913 1.00 32.33 C ATOM 1790 OE1 GLU A 105 -2.074 -0.833 17.094 1.00 32.41 O ATOM 1791 OE2 GLU A 105 -2.128 1.322 17.491 1.00 10.44 O ATOM 0 H GLU A 105 -4.863 -1.154 13.880 1.00 23.11 H new ATOM 0 HA GLU A 105 -4.949 1.758 13.722 1.00 53.10 H new ATOM 0 HB2 GLU A 105 -2.619 -0.149 14.210 1.00 72.45 H new ATOM 0 HB3 GLU A 105 -2.616 1.581 14.486 1.00 72.45 H new ATOM 0 HG2 GLU A 105 -4.337 1.303 16.253 1.00 51.33 H new ATOM 0 HG3 GLU A 105 -4.341 -0.428 15.977 1.00 51.33 H new ATOM 1798 N VAL A 106 -3.577 2.234 11.665 1.00 61.14 N ATOM 1799 CA VAL A 106 -3.057 2.518 10.325 1.00 52.35 C ATOM 1800 C VAL A 106 -1.594 2.979 10.372 1.00 54.33 C ATOM 1801 O VAL A 106 -1.223 3.819 11.185 1.00 40.44 O ATOM 1802 CB VAL A 106 -3.892 3.617 9.621 1.00 55.35 C ATOM 1803 CG1 VAL A 106 -3.465 3.781 8.164 1.00 11.22 C ATOM 1804 CG2 VAL A 106 -5.381 3.315 9.721 1.00 42.12 C ATOM 0 H VAL A 106 -3.756 3.065 12.228 1.00 61.14 H new ATOM 0 HA VAL A 106 -3.125 1.586 9.764 1.00 52.35 H new ATOM 0 HB VAL A 106 -3.704 4.561 10.133 1.00 55.35 H new ATOM 0 HG11 VAL A 106 -4.067 4.558 7.694 1.00 11.22 H new ATOM 0 HG12 VAL A 106 -2.413 4.062 8.123 1.00 11.22 H new ATOM 0 HG13 VAL A 106 -3.610 2.840 7.634 1.00 11.22 H new ATOM 0 HG21 VAL A 106 -5.946 4.101 9.219 1.00 42.12 H new ATOM 0 HG22 VAL A 106 -5.591 2.357 9.245 1.00 42.12 H new ATOM 0 HG23 VAL A 106 -5.674 3.271 10.770 1.00 42.12 H new ATOM 1814 N PHE A 107 -0.768 2.419 9.498 1.00 20.03 N ATOM 1815 CA PHE A 107 0.616 2.869 9.334 1.00 55.45 C ATOM 1816 C PHE A 107 0.912 3.084 7.839 1.00 11.52 C ATOM 1817 O PHE A 107 1.120 2.129 7.088 1.00 74.42 O ATOM 1818 CB PHE A 107 1.560 1.833 9.970 1.00 53.31 C ATOM 1819 CG PHE A 107 3.035 2.107 9.803 1.00 2.33 C ATOM 1820 CD1 PHE A 107 3.710 2.930 10.692 1.00 5.44 C ATOM 1821 CD2 PHE A 107 3.749 1.525 8.767 1.00 50.55 C ATOM 1822 CE1 PHE A 107 5.061 3.172 10.548 1.00 1.23 C ATOM 1823 CE2 PHE A 107 5.101 1.764 8.621 1.00 1.42 C ATOM 1824 CZ PHE A 107 5.758 2.588 9.511 1.00 23.51 C ATOM 0 H PHE A 107 -1.031 1.647 8.886 1.00 20.03 H new ATOM 0 HA PHE A 107 0.774 3.822 9.840 1.00 55.45 H new ATOM 0 HB2 PHE A 107 1.338 1.772 11.035 1.00 53.31 H new ATOM 0 HB3 PHE A 107 1.339 0.855 9.542 1.00 53.31 H new ATOM 0 HD1 PHE A 107 3.171 3.388 11.508 1.00 5.44 H new ATOM 0 HD2 PHE A 107 3.242 0.878 8.067 1.00 50.55 H new ATOM 0 HE1 PHE A 107 5.572 3.818 11.247 1.00 1.23 H new ATOM 0 HE2 PHE A 107 5.645 1.305 7.809 1.00 1.42 H new ATOM 0 HZ PHE A 107 6.815 2.775 9.396 1.00 23.51 H new ATOM 1834 N VAL A 108 0.900 4.349 7.415 1.00 23.52 N ATOM 1835 CA VAL A 108 1.023 4.703 5.994 1.00 72.12 C ATOM 1836 C VAL A 108 2.449 5.131 5.615 1.00 30.44 C ATOM 1837 O VAL A 108 2.993 6.076 6.180 1.00 1.32 O ATOM 1838 CB VAL A 108 0.052 5.857 5.624 1.00 72.30 C ATOM 1839 CG1 VAL A 108 0.144 6.198 4.138 1.00 55.42 C ATOM 1840 CG2 VAL A 108 -1.382 5.507 6.009 1.00 2.10 C ATOM 0 H VAL A 108 0.806 5.152 8.037 1.00 23.52 H new ATOM 0 HA VAL A 108 0.770 3.801 5.437 1.00 72.12 H new ATOM 0 HB VAL A 108 0.351 6.738 6.191 1.00 72.30 H new ATOM 0 HG11 VAL A 108 -0.547 7.009 3.907 1.00 55.42 H new ATOM 0 HG12 VAL A 108 1.161 6.508 3.898 1.00 55.42 H new ATOM 0 HG13 VAL A 108 -0.117 5.320 3.546 1.00 55.42 H new ATOM 0 HG21 VAL A 108 -2.043 6.331 5.740 1.00 2.10 H new ATOM 0 HG22 VAL A 108 -1.691 4.606 5.479 1.00 2.10 H new ATOM 0 HG23 VAL A 108 -1.438 5.333 7.084 1.00 2.10 H new ATOM 1850 N VAL A 109 3.042 4.434 4.650 1.00 21.12 N ATOM 1851 CA VAL A 109 4.326 4.844 4.072 1.00 52.23 C ATOM 1852 C VAL A 109 4.149 5.200 2.587 1.00 20.22 C ATOM 1853 O VAL A 109 3.939 4.323 1.749 1.00 31.03 O ATOM 1854 CB VAL A 109 5.398 3.730 4.201 1.00 63.40 C ATOM 1855 CG1 VAL A 109 6.748 4.209 3.665 1.00 1.53 C ATOM 1856 CG2 VAL A 109 5.524 3.264 5.648 1.00 34.22 C ATOM 0 H VAL A 109 2.656 3.580 4.248 1.00 21.12 H new ATOM 0 HA VAL A 109 4.667 5.717 4.629 1.00 52.23 H new ATOM 0 HB VAL A 109 5.077 2.881 3.598 1.00 63.40 H new ATOM 0 HG11 VAL A 109 7.484 3.411 3.766 1.00 1.53 H new ATOM 0 HG12 VAL A 109 6.647 4.479 2.614 1.00 1.53 H new ATOM 0 HG13 VAL A 109 7.077 5.079 4.233 1.00 1.53 H new ATOM 0 HG21 VAL A 109 6.281 2.483 5.714 1.00 34.22 H new ATOM 0 HG22 VAL A 109 5.815 4.105 6.277 1.00 34.22 H new ATOM 0 HG23 VAL A 109 4.566 2.870 5.988 1.00 34.22 H new ATOM 1866 N TYR A 110 4.212 6.489 2.260 1.00 12.44 N ATOM 1867 CA TYR A 110 4.037 6.928 0.869 1.00 13.42 C ATOM 1868 C TYR A 110 5.348 7.405 0.231 1.00 42.13 C ATOM 1869 O TYR A 110 6.167 8.069 0.871 1.00 23.14 O ATOM 1870 CB TYR A 110 2.962 8.028 0.761 1.00 4.02 C ATOM 1871 CG TYR A 110 3.123 9.201 1.718 1.00 2.14 C ATOM 1872 CD1 TYR A 110 4.050 10.216 1.478 1.00 63.01 C ATOM 1873 CD2 TYR A 110 2.325 9.304 2.852 1.00 4.43 C ATOM 1874 CE1 TYR A 110 4.173 11.288 2.340 1.00 45.40 C ATOM 1875 CE2 TYR A 110 2.442 10.378 3.713 1.00 73.31 C ATOM 1876 CZ TYR A 110 3.366 11.363 3.454 1.00 14.42 C ATOM 1877 OH TYR A 110 3.482 12.432 4.312 1.00 62.43 O ATOM 0 H TYR A 110 4.380 7.243 2.926 1.00 12.44 H new ATOM 0 HA TYR A 110 3.703 6.052 0.313 1.00 13.42 H new ATOM 0 HB2 TYR A 110 2.962 8.412 -0.259 1.00 4.02 H new ATOM 0 HB3 TYR A 110 1.985 7.575 0.931 1.00 4.02 H new ATOM 0 HD1 TYR A 110 4.682 10.162 0.604 1.00 63.01 H new ATOM 0 HD2 TYR A 110 1.601 8.531 3.063 1.00 4.43 H new ATOM 0 HE1 TYR A 110 4.898 12.063 2.142 1.00 45.40 H new ATOM 0 HE2 TYR A 110 1.810 10.444 4.586 1.00 73.31 H new ATOM 0 HH TYR A 110 2.841 12.333 5.046 1.00 62.43 H new ATOM 1887 N ASN A 111 5.538 7.050 -1.039 1.00 32.44 N ATOM 1888 CA ASN A 111 6.665 7.553 -1.821 1.00 62.24 C ATOM 1889 C ASN A 111 6.250 8.822 -2.575 1.00 75.12 C ATOM 1890 O ASN A 111 5.526 8.763 -3.571 1.00 65.14 O ATOM 1891 CB ASN A 111 7.151 6.487 -2.812 1.00 12.01 C ATOM 1892 CG ASN A 111 8.305 6.979 -3.672 1.00 50.41 C ATOM 1893 OD1 ASN A 111 8.103 7.555 -4.734 1.00 55.23 O ATOM 1894 ND2 ASN A 111 9.523 6.754 -3.222 1.00 43.14 N ATOM 0 H ASN A 111 4.924 6.415 -1.549 1.00 32.44 H new ATOM 0 HA ASN A 111 7.483 7.791 -1.141 1.00 62.24 H new ATOM 0 HB2 ASN A 111 7.464 5.599 -2.262 1.00 12.01 H new ATOM 0 HB3 ASN A 111 6.323 6.188 -3.455 1.00 12.01 H new ATOM 0 HD21 ASN A 111 10.331 7.062 -3.762 1.00 43.14 H new ATOM 0 HD22 ASN A 111 9.657 6.272 -2.333 1.00 43.14 H new ATOM 1901 N ASN A 112 6.735 9.961 -2.111 1.00 33.12 N ATOM 1902 CA ASN A 112 6.362 11.251 -2.686 1.00 10.25 C ATOM 1903 C ASN A 112 7.605 12.125 -2.887 1.00 61.51 C ATOM 1904 O ASN A 112 8.390 12.329 -1.959 1.00 43.52 O ATOM 1905 CB ASN A 112 5.348 11.957 -1.780 1.00 40.14 C ATOM 1906 CG ASN A 112 4.755 13.190 -2.433 1.00 21.23 C ATOM 1907 OD1 ASN A 112 5.305 14.278 -2.345 1.00 70.14 O ATOM 1908 ND2 ASN A 112 3.633 13.027 -3.096 1.00 71.32 N ATOM 0 H ASN A 112 7.392 10.023 -1.333 1.00 33.12 H new ATOM 0 HA ASN A 112 5.901 11.082 -3.659 1.00 10.25 H new ATOM 0 HB2 ASN A 112 4.547 11.263 -1.524 1.00 40.14 H new ATOM 0 HB3 ASN A 112 5.834 12.241 -0.846 1.00 40.14 H new ATOM 0 HD21 ASN A 112 3.193 13.823 -3.558 1.00 71.32 H new ATOM 0 HD22 ASN A 112 3.201 12.104 -3.149 1.00 71.32 H new ATOM 1915 N LYS A 113 7.773 12.640 -4.099 1.00 10.11 N ATOM 1916 CA LYS A 113 8.974 13.399 -4.466 1.00 2.43 C ATOM 1917 C LYS A 113 8.791 14.911 -4.231 1.00 14.51 C ATOM 1918 O LYS A 113 9.630 15.720 -4.635 1.00 60.30 O ATOM 1919 CB LYS A 113 9.343 13.116 -5.934 1.00 41.42 C ATOM 1920 CG LYS A 113 9.988 11.742 -6.175 1.00 5.11 C ATOM 1921 CD LYS A 113 9.080 10.567 -5.797 1.00 14.13 C ATOM 1922 CE LYS A 113 7.796 10.527 -6.623 1.00 4.12 C ATOM 1923 NZ LYS A 113 6.925 9.378 -6.246 1.00 40.13 N ATOM 0 H LYS A 113 7.091 12.548 -4.852 1.00 10.11 H new ATOM 0 HA LYS A 113 9.790 13.071 -3.822 1.00 2.43 H new ATOM 0 HB2 LYS A 113 8.442 13.192 -6.543 1.00 41.42 H new ATOM 0 HB3 LYS A 113 10.028 13.890 -6.279 1.00 41.42 H new ATOM 0 HG2 LYS A 113 10.261 11.657 -7.227 1.00 5.11 H new ATOM 0 HG3 LYS A 113 10.912 11.677 -5.600 1.00 5.11 H new ATOM 0 HD2 LYS A 113 9.625 9.633 -5.934 1.00 14.13 H new ATOM 0 HD3 LYS A 113 8.825 10.635 -4.739 1.00 14.13 H new ATOM 0 HE2 LYS A 113 7.247 11.459 -6.485 1.00 4.12 H new ATOM 0 HE3 LYS A 113 8.048 10.459 -7.681 1.00 4.12 H new ATOM 0 HZ1 LYS A 113 6.795 8.756 -7.069 1.00 40.13 H new ATOM 0 HZ2 LYS A 113 7.372 8.842 -5.474 1.00 40.13 H new ATOM 0 HZ3 LYS A 113 6.000 9.733 -5.931 1.00 40.13 H new ATOM 1937 N ASP A 114 7.694 15.284 -3.573 1.00 23.24 N ATOM 1938 CA ASP A 114 7.444 16.679 -3.195 1.00 63.40 C ATOM 1939 C ASP A 114 7.499 16.837 -1.665 1.00 0.23 C ATOM 1940 O ASP A 114 6.575 16.436 -0.953 1.00 2.21 O ATOM 1941 CB ASP A 114 6.078 17.137 -3.712 1.00 20.15 C ATOM 1942 CG ASP A 114 5.903 16.909 -5.203 1.00 52.32 C ATOM 1943 OD1 ASP A 114 6.358 17.756 -5.998 1.00 43.14 O ATOM 1944 OD2 ASP A 114 5.293 15.888 -5.587 1.00 62.54 O ATOM 0 H ASP A 114 6.959 14.637 -3.288 1.00 23.24 H new ATOM 0 HA ASP A 114 8.219 17.299 -3.645 1.00 63.40 H new ATOM 0 HB2 ASP A 114 5.294 16.604 -3.174 1.00 20.15 H new ATOM 0 HB3 ASP A 114 5.950 18.197 -3.494 1.00 20.15 H new ATOM 1949 N ASP A 115 8.578 17.431 -1.166 1.00 70.42 N ATOM 1950 CA ASP A 115 8.805 17.553 0.277 1.00 53.40 C ATOM 1951 C ASP A 115 7.646 18.277 0.990 1.00 54.14 C ATOM 1952 O ASP A 115 7.212 17.858 2.065 1.00 23.51 O ATOM 1953 CB ASP A 115 10.129 18.277 0.536 1.00 2.22 C ATOM 1954 CG ASP A 115 10.438 18.411 2.015 1.00 51.30 C ATOM 1955 OD1 ASP A 115 10.561 17.371 2.696 1.00 1.21 O ATOM 1956 OD2 ASP A 115 10.576 19.554 2.500 1.00 53.33 O ATOM 0 H ASP A 115 9.316 17.839 -1.740 1.00 70.42 H new ATOM 0 HA ASP A 115 8.854 16.546 0.690 1.00 53.40 H new ATOM 0 HB2 ASP A 115 10.938 17.734 0.047 1.00 2.22 H new ATOM 0 HB3 ASP A 115 10.092 19.268 0.085 1.00 2.22 H new ATOM 1961 N ASP A 116 7.144 19.352 0.387 1.00 32.15 N ATOM 1962 CA ASP A 116 6.053 20.129 0.980 1.00 62.20 C ATOM 1963 C ASP A 116 4.726 19.342 0.991 1.00 41.50 C ATOM 1964 O ASP A 116 3.920 19.487 1.913 1.00 11.21 O ATOM 1965 CB ASP A 116 5.902 21.463 0.250 1.00 54.23 C ATOM 1966 CG ASP A 116 7.167 22.296 0.351 1.00 72.05 C ATOM 1967 OD1 ASP A 116 7.415 22.881 1.428 1.00 42.42 O ATOM 1968 OD2 ASP A 116 7.940 22.343 -0.633 1.00 40.04 O ATOM 0 H ASP A 116 7.473 19.706 -0.511 1.00 32.15 H new ATOM 0 HA ASP A 116 6.308 20.328 2.021 1.00 62.20 H new ATOM 0 HB2 ASP A 116 5.667 21.281 -0.799 1.00 54.23 H new ATOM 0 HB3 ASP A 116 5.064 22.018 0.673 1.00 54.23 H new ATOM 1973 N ARG A 117 4.506 18.508 -0.031 1.00 73.31 N ATOM 1974 CA ARG A 117 3.381 17.559 -0.014 1.00 4.25 C ATOM 1975 C ARG A 117 3.497 16.611 1.186 1.00 42.20 C ATOM 1976 O ARG A 117 2.523 16.355 1.890 1.00 34.54 O ATOM 1977 CB ARG A 117 3.331 16.734 -1.312 1.00 75.03 C ATOM 1978 CG ARG A 117 2.546 17.381 -2.450 1.00 3.14 C ATOM 1979 CD ARG A 117 2.525 16.476 -3.679 1.00 42.15 C ATOM 1980 NE ARG A 117 1.549 16.902 -4.676 1.00 14.11 N ATOM 1981 CZ ARG A 117 1.606 16.580 -5.939 1.00 24.05 C ATOM 1982 NH1 ARG A 117 2.639 15.967 -6.421 1.00 1.55 N ATOM 1983 NH2 ARG A 117 0.636 16.907 -6.724 1.00 13.32 N ATOM 0 H ARG A 117 5.082 18.468 -0.872 1.00 73.31 H new ATOM 0 HA ARG A 117 2.462 18.139 0.069 1.00 4.25 H new ATOM 0 HB2 ARG A 117 4.351 16.552 -1.650 1.00 75.03 H new ATOM 0 HB3 ARG A 117 2.890 15.762 -1.092 1.00 75.03 H new ATOM 0 HG2 ARG A 117 1.526 17.583 -2.125 1.00 3.14 H new ATOM 0 HG3 ARG A 117 2.995 18.341 -2.707 1.00 3.14 H new ATOM 0 HD2 ARG A 117 3.517 16.461 -4.131 1.00 42.15 H new ATOM 0 HD3 ARG A 117 2.300 15.455 -3.370 1.00 42.15 H new ATOM 0 HE ARG A 117 0.774 17.488 -4.366 1.00 14.11 H new ATOM 0 HH11 ARG A 117 3.422 15.730 -5.811 1.00 1.55 H new ATOM 0 HH12 ARG A 117 2.670 15.721 -7.410 1.00 1.55 H new ATOM 0 HH21 ARG A 117 -0.169 17.414 -6.356 1.00 13.32 H new ATOM 0 HH22 ARG A 117 0.674 16.658 -7.713 1.00 13.32 H new ATOM 1997 N ARG A 118 4.706 16.102 1.411 1.00 4.02 N ATOM 1998 CA ARG A 118 4.976 15.209 2.543 1.00 61.23 C ATOM 1999 C ARG A 118 4.744 15.933 3.881 1.00 21.11 C ATOM 2000 O ARG A 118 4.182 15.370 4.820 1.00 63.20 O ATOM 2001 CB ARG A 118 6.418 14.685 2.461 1.00 11.23 C ATOM 2002 CG ARG A 118 6.750 14.016 1.129 1.00 14.23 C ATOM 2003 CD ARG A 118 8.131 13.362 1.134 1.00 24.21 C ATOM 2004 NE ARG A 118 9.201 14.299 1.473 1.00 12.24 N ATOM 2005 CZ ARG A 118 10.471 14.060 1.271 1.00 64.41 C ATOM 2006 NH1 ARG A 118 10.854 12.963 0.699 1.00 24.40 N ATOM 2007 NH2 ARG A 118 11.359 14.925 1.631 1.00 1.21 N ATOM 0 H ARG A 118 5.519 16.291 0.824 1.00 4.02 H new ATOM 0 HA ARG A 118 4.287 14.366 2.492 1.00 61.23 H new ATOM 0 HB2 ARG A 118 7.107 15.514 2.623 1.00 11.23 H new ATOM 0 HB3 ARG A 118 6.583 13.971 3.268 1.00 11.23 H new ATOM 0 HG2 ARG A 118 5.995 13.262 0.906 1.00 14.23 H new ATOM 0 HG3 ARG A 118 6.705 14.758 0.332 1.00 14.23 H new ATOM 0 HD2 ARG A 118 8.135 12.539 1.848 1.00 24.21 H new ATOM 0 HD3 ARG A 118 8.328 12.933 0.152 1.00 24.21 H new ATOM 0 HE ARG A 118 8.942 15.192 1.892 1.00 12.24 H new ATOM 0 HH11 ARG A 118 10.163 12.275 0.401 1.00 24.40 H new ATOM 0 HH12 ARG A 118 11.847 12.787 0.547 1.00 24.40 H new ATOM 0 HH21 ARG A 118 11.071 15.797 2.074 1.00 1.21 H new ATOM 0 HH22 ARG A 118 12.349 14.736 1.472 1.00 1.21 H new ATOM 2021 N LYS A 119 5.173 17.192 3.944 1.00 63.12 N ATOM 2022 CA LYS A 119 4.966 18.040 5.125 1.00 13.11 C ATOM 2023 C LYS A 119 3.473 18.159 5.478 1.00 74.33 C ATOM 2024 O LYS A 119 3.067 17.899 6.615 1.00 14.40 O ATOM 2025 CB LYS A 119 5.587 19.432 4.862 1.00 1.44 C ATOM 2026 CG LYS A 119 5.337 20.494 5.942 1.00 14.22 C ATOM 2027 CD LYS A 119 4.025 21.253 5.721 1.00 11.51 C ATOM 2028 CE LYS A 119 3.864 22.410 6.699 1.00 42.34 C ATOM 2029 NZ LYS A 119 4.946 23.419 6.552 1.00 20.33 N ATOM 0 H LYS A 119 5.672 17.655 3.184 1.00 63.12 H new ATOM 0 HA LYS A 119 5.458 17.580 5.982 1.00 13.11 H new ATOM 0 HB2 LYS A 119 6.664 19.311 4.742 1.00 1.44 H new ATOM 0 HB3 LYS A 119 5.200 19.807 3.915 1.00 1.44 H new ATOM 0 HG2 LYS A 119 5.316 20.015 6.921 1.00 14.22 H new ATOM 0 HG3 LYS A 119 6.166 21.202 5.951 1.00 14.22 H new ATOM 0 HD2 LYS A 119 3.994 21.634 4.700 1.00 11.51 H new ATOM 0 HD3 LYS A 119 3.186 20.566 5.830 1.00 11.51 H new ATOM 0 HE2 LYS A 119 2.898 22.889 6.538 1.00 42.34 H new ATOM 0 HE3 LYS A 119 3.863 22.025 7.719 1.00 42.34 H new ATOM 0 HZ1 LYS A 119 4.672 24.295 7.040 1.00 20.33 H new ATOM 0 HZ2 LYS A 119 5.824 23.050 6.970 1.00 20.33 H new ATOM 0 HZ3 LYS A 119 5.100 23.619 5.543 1.00 20.33 H new ATOM 2043 N GLU A 120 2.660 18.551 4.501 1.00 61.24 N ATOM 2044 CA GLU A 120 1.230 18.774 4.738 1.00 50.52 C ATOM 2045 C GLU A 120 0.468 17.452 4.945 1.00 31.11 C ATOM 2046 O GLU A 120 -0.491 17.401 5.717 1.00 70.23 O ATOM 2047 CB GLU A 120 0.606 19.578 3.587 1.00 11.03 C ATOM 2048 CG GLU A 120 0.560 18.848 2.247 1.00 3.11 C ATOM 2049 CD GLU A 120 -0.096 19.677 1.153 1.00 54.12 C ATOM 2050 OE1 GLU A 120 -1.286 20.038 1.309 1.00 44.12 O ATOM 2051 OE2 GLU A 120 0.567 19.972 0.134 1.00 40.24 O ATOM 0 H GLU A 120 2.961 18.721 3.541 1.00 61.24 H new ATOM 0 HA GLU A 120 1.142 19.352 5.658 1.00 50.52 H new ATOM 0 HB2 GLU A 120 -0.409 19.858 3.867 1.00 11.03 H new ATOM 0 HB3 GLU A 120 1.169 20.503 3.462 1.00 11.03 H new ATOM 0 HG2 GLU A 120 1.574 18.589 1.943 1.00 3.11 H new ATOM 0 HG3 GLU A 120 0.014 17.912 2.366 1.00 3.11 H new ATOM 2058 N ALA A 121 0.900 16.388 4.263 1.00 15.30 N ATOM 2059 CA ALA A 121 0.275 15.064 4.404 1.00 12.41 C ATOM 2060 C ALA A 121 0.403 14.535 5.840 1.00 24.31 C ATOM 2061 O ALA A 121 -0.561 14.025 6.419 1.00 74.33 O ATOM 2062 CB ALA A 121 0.889 14.080 3.415 1.00 22.13 C ATOM 0 H ALA A 121 1.680 16.414 3.607 1.00 15.30 H new ATOM 0 HA ALA A 121 -0.787 15.169 4.182 1.00 12.41 H new ATOM 0 HB1 ALA A 121 0.416 13.105 3.531 1.00 22.13 H new ATOM 0 HB2 ALA A 121 0.732 14.440 2.398 1.00 22.13 H new ATOM 0 HB3 ALA A 121 1.958 13.990 3.607 1.00 22.13 H new ATOM 2068 N GLN A 122 1.601 14.662 6.408 1.00 43.41 N ATOM 2069 CA GLN A 122 1.839 14.330 7.817 1.00 34.34 C ATOM 2070 C GLN A 122 0.855 15.084 8.731 1.00 75.22 C ATOM 2071 O GLN A 122 0.213 14.495 9.598 1.00 32.32 O ATOM 2072 CB GLN A 122 3.286 14.687 8.195 1.00 12.43 C ATOM 2073 CG GLN A 122 4.340 13.845 7.478 1.00 14.12 C ATOM 2074 CD GLN A 122 4.458 12.423 8.010 1.00 52.55 C ATOM 2075 OE1 GLN A 122 4.768 11.498 7.271 1.00 71.21 O ATOM 2076 NE2 GLN A 122 4.239 12.228 9.295 1.00 52.30 N ATOM 0 H GLN A 122 2.428 14.994 5.913 1.00 43.41 H new ATOM 0 HA GLN A 122 1.681 13.260 7.954 1.00 34.34 H new ATOM 0 HB2 GLN A 122 3.461 15.739 7.969 1.00 12.43 H new ATOM 0 HB3 GLN A 122 3.410 14.567 9.271 1.00 12.43 H new ATOM 0 HG2 GLN A 122 4.099 13.807 6.416 1.00 14.12 H new ATOM 0 HG3 GLN A 122 5.308 14.338 7.568 1.00 14.12 H new ATOM 0 HE21 GLN A 122 3.982 13.013 9.893 1.00 52.30 H new ATOM 0 HE22 GLN A 122 4.327 11.292 9.691 1.00 52.30 H new ATOM 2085 N GLN A 123 0.745 16.389 8.504 1.00 23.50 N ATOM 2086 CA GLN A 123 -0.182 17.254 9.249 1.00 12.13 C ATOM 2087 C GLN A 123 -1.653 16.843 9.025 1.00 2.41 C ATOM 2088 O GLN A 123 -2.481 16.932 9.934 1.00 14.32 O ATOM 2089 CB GLN A 123 0.056 18.717 8.815 1.00 73.43 C ATOM 2090 CG GLN A 123 -0.915 19.754 9.395 1.00 52.30 C ATOM 2091 CD GLN A 123 -2.258 19.847 8.664 1.00 3.32 C ATOM 2092 OE1 GLN A 123 -2.279 19.560 7.373 1.00 21.10 O flip ATOM 2093 NE2 GLN A 123 -3.273 20.187 9.259 1.00 32.35 N flip ATOM 0 H GLN A 123 1.293 16.883 7.800 1.00 23.50 H new ATOM 0 HA GLN A 123 0.011 17.148 10.317 1.00 12.13 H new ATOM 0 HB2 GLN A 123 1.070 18.999 9.098 1.00 73.43 H new ATOM 0 HB3 GLN A 123 0.003 18.766 7.727 1.00 73.43 H new ATOM 0 HG2 GLN A 123 -1.102 19.513 10.441 1.00 52.30 H new ATOM 0 HG3 GLN A 123 -0.436 20.733 9.374 1.00 52.30 H new ATOM 0 HE21 GLN A 123 -3.232 20.403 10.255 1.00 32.35 H new ATOM 0 HE22 GLN A 123 -4.159 20.254 8.759 1.00 32.35 H new ATOM 2102 N GLU A 124 -1.958 16.390 7.814 1.00 22.00 N ATOM 2103 CA GLU A 124 -3.336 16.085 7.408 1.00 71.54 C ATOM 2104 C GLU A 124 -3.870 14.772 8.014 1.00 50.35 C ATOM 2105 O GLU A 124 -4.974 14.739 8.566 1.00 42.42 O ATOM 2106 CB GLU A 124 -3.403 16.008 5.873 1.00 64.04 C ATOM 2107 CG GLU A 124 -4.800 15.751 5.307 1.00 50.44 C ATOM 2108 CD GLU A 124 -5.712 16.963 5.414 1.00 21.45 C ATOM 2109 OE1 GLU A 124 -5.664 17.828 4.509 1.00 65.31 O ATOM 2110 OE2 GLU A 124 -6.473 17.060 6.398 1.00 73.10 O ATOM 0 H GLU A 124 -1.265 16.223 7.085 1.00 22.00 H new ATOM 0 HA GLU A 124 -3.969 16.887 7.787 1.00 71.54 H new ATOM 0 HB2 GLU A 124 -3.024 16.942 5.459 1.00 64.04 H new ATOM 0 HB3 GLU A 124 -2.736 15.215 5.533 1.00 64.04 H new ATOM 0 HG2 GLU A 124 -4.715 15.458 4.261 1.00 50.44 H new ATOM 0 HG3 GLU A 124 -5.253 14.913 5.837 1.00 50.44 H new ATOM 2117 N PHE A 125 -3.089 13.694 7.910 1.00 33.30 N ATOM 2118 CA PHE A 125 -3.595 12.343 8.215 1.00 34.55 C ATOM 2119 C PHE A 125 -3.119 11.770 9.563 1.00 15.21 C ATOM 2120 O PHE A 125 -3.794 10.906 10.129 1.00 2.43 O ATOM 2121 CB PHE A 125 -3.208 11.380 7.086 1.00 61.02 C ATOM 2122 CG PHE A 125 -3.830 11.736 5.761 1.00 72.22 C ATOM 2123 CD1 PHE A 125 -5.174 11.483 5.526 1.00 25.40 C ATOM 2124 CD2 PHE A 125 -3.079 12.331 4.756 1.00 0.31 C ATOM 2125 CE1 PHE A 125 -5.755 11.814 4.320 1.00 21.14 C ATOM 2126 CE2 PHE A 125 -3.657 12.662 3.546 1.00 74.04 C ATOM 2127 CZ PHE A 125 -4.996 12.405 3.329 1.00 73.32 C ATOM 0 H PHE A 125 -2.112 13.723 7.620 1.00 33.30 H new ATOM 0 HA PHE A 125 -4.677 12.443 8.296 1.00 34.55 H new ATOM 0 HB2 PHE A 125 -2.123 11.372 6.980 1.00 61.02 H new ATOM 0 HB3 PHE A 125 -3.509 10.369 7.361 1.00 61.02 H new ATOM 0 HD1 PHE A 125 -5.772 11.021 6.297 1.00 25.40 H new ATOM 0 HD2 PHE A 125 -2.032 12.537 4.922 1.00 0.31 H new ATOM 0 HE1 PHE A 125 -6.802 11.611 4.151 1.00 21.14 H new ATOM 0 HE2 PHE A 125 -3.062 13.121 2.770 1.00 74.04 H new ATOM 0 HZ PHE A 125 -5.450 12.666 2.384 1.00 73.32 H new ATOM 2137 N ARG A 126 -1.978 12.225 10.086 1.00 44.33 N ATOM 2138 CA ARG A 126 -1.429 11.633 11.317 1.00 12.34 C ATOM 2139 C ARG A 126 -2.415 11.797 12.491 1.00 14.22 C ATOM 2140 O ARG A 126 -2.557 12.881 13.058 1.00 3.31 O ATOM 2141 CB ARG A 126 -0.053 12.239 11.662 1.00 71.23 C ATOM 2142 CG ARG A 126 0.914 11.247 12.320 1.00 73.31 C ATOM 2143 CD ARG A 126 0.446 10.796 13.702 1.00 64.42 C ATOM 2144 NE ARG A 126 1.225 9.666 14.205 1.00 10.13 N ATOM 2145 CZ ARG A 126 1.074 9.144 15.393 1.00 51.50 C ATOM 2146 NH1 ARG A 126 0.282 9.689 16.259 1.00 74.51 N ATOM 2147 NH2 ARG A 126 1.739 8.088 15.726 1.00 74.41 N ATOM 0 H ARG A 126 -1.424 12.984 9.690 1.00 44.33 H new ATOM 0 HA ARG A 126 -1.287 10.567 11.141 1.00 12.34 H new ATOM 0 HB2 ARG A 126 0.402 12.625 10.750 1.00 71.23 H new ATOM 0 HB3 ARG A 126 -0.198 13.088 12.330 1.00 71.23 H new ATOM 0 HG2 ARG A 126 1.027 10.374 11.676 1.00 73.31 H new ATOM 0 HG3 ARG A 126 1.898 11.708 12.407 1.00 73.31 H new ATOM 0 HD2 ARG A 126 0.524 11.629 14.400 1.00 64.42 H new ATOM 0 HD3 ARG A 126 -0.607 10.518 13.655 1.00 64.42 H new ATOM 0 HE ARG A 126 1.930 9.260 13.590 1.00 10.13 H new ATOM 0 HH11 ARG A 126 -0.233 10.536 16.017 1.00 74.51 H new ATOM 0 HH12 ARG A 126 0.173 9.272 17.183 1.00 74.51 H new ATOM 0 HH21 ARG A 126 2.383 7.660 15.061 1.00 74.41 H new ATOM 0 HH22 ARG A 126 1.620 7.682 16.654 1.00 74.41 H new ATOM 2161 N SER A 127 -3.083 10.699 12.848 1.00 10.11 N ATOM 2162 CA SER A 127 -4.157 10.721 13.856 1.00 1.34 C ATOM 2163 C SER A 127 -3.961 9.655 14.938 1.00 3.34 C ATOM 2164 O SER A 127 -2.927 8.990 15.008 1.00 72.41 O ATOM 2165 CB SER A 127 -5.524 10.488 13.181 1.00 44.14 C ATOM 2166 OG SER A 127 -5.834 11.514 12.252 1.00 32.03 O ATOM 0 H SER A 127 -2.901 9.776 12.454 1.00 10.11 H new ATOM 0 HA SER A 127 -4.124 11.702 14.329 1.00 1.34 H new ATOM 0 HB2 SER A 127 -5.518 9.525 12.670 1.00 44.14 H new ATOM 0 HB3 SER A 127 -6.302 10.440 13.943 1.00 44.14 H new ATOM 0 HG SER A 127 -5.245 11.439 11.473 1.00 32.03 H new ATOM 2172 N ASP A 128 -4.980 9.511 15.782 1.00 55.31 N ATOM 2173 CA ASP A 128 -5.030 8.466 16.803 1.00 11.32 C ATOM 2174 C ASP A 128 -4.918 7.064 16.176 1.00 64.20 C ATOM 2175 O ASP A 128 -5.737 6.677 15.342 1.00 40.52 O ATOM 2176 CB ASP A 128 -6.342 8.605 17.590 1.00 34.34 C ATOM 2177 CG ASP A 128 -7.561 8.691 16.676 1.00 54.31 C ATOM 2178 OD1 ASP A 128 -7.710 9.712 15.964 1.00 15.42 O ATOM 2179 OD2 ASP A 128 -8.378 7.746 16.662 1.00 41.22 O ATOM 0 H ASP A 128 -5.799 10.119 15.777 1.00 55.31 H new ATOM 0 HA ASP A 128 -4.182 8.585 17.477 1.00 11.32 H new ATOM 0 HB2 ASP A 128 -6.453 7.752 18.260 1.00 34.34 H new ATOM 0 HB3 ASP A 128 -6.295 9.497 18.214 1.00 34.34 H new ATOM 2184 N GLY A 129 -3.886 6.317 16.571 1.00 1.33 N ATOM 2185 CA GLY A 129 -3.666 4.981 16.020 1.00 74.22 C ATOM 2186 C GLY A 129 -3.257 4.991 14.547 1.00 14.04 C ATOM 2187 O GLY A 129 -3.272 3.952 13.885 1.00 72.34 O ATOM 0 H GLY A 129 -3.197 6.611 17.263 1.00 1.33 H new ATOM 0 HA2 GLY A 129 -2.892 4.480 16.601 1.00 74.22 H new ATOM 0 HA3 GLY A 129 -4.578 4.395 16.132 1.00 74.22 H new ATOM 2191 N VAL A 130 -2.895 6.166 14.026 1.00 73.00 N ATOM 2192 CA VAL A 130 -2.470 6.296 12.628 1.00 32.20 C ATOM 2193 C VAL A 130 -1.083 6.940 12.519 1.00 2.22 C ATOM 2194 O VAL A 130 -0.916 8.130 12.793 1.00 54.11 O ATOM 2195 CB VAL A 130 -3.469 7.144 11.799 1.00 13.31 C ATOM 2196 CG1 VAL A 130 -3.000 7.262 10.345 1.00 51.10 C ATOM 2197 CG2 VAL A 130 -4.880 6.561 11.880 1.00 42.02 C ATOM 0 H VAL A 130 -2.887 7.041 14.550 1.00 73.00 H new ATOM 0 HA VAL A 130 -2.436 5.283 12.227 1.00 32.20 H new ATOM 0 HB VAL A 130 -3.501 8.147 12.225 1.00 13.31 H new ATOM 0 HG11 VAL A 130 -3.714 7.861 9.780 1.00 51.10 H new ATOM 0 HG12 VAL A 130 -2.022 7.741 10.316 1.00 51.10 H new ATOM 0 HG13 VAL A 130 -2.930 6.268 9.903 1.00 51.10 H new ATOM 0 HG21 VAL A 130 -5.561 7.174 11.290 1.00 42.02 H new ATOM 0 HG22 VAL A 130 -4.876 5.544 11.489 1.00 42.02 H new ATOM 0 HG23 VAL A 130 -5.210 6.549 12.919 1.00 42.02 H new ATOM 2207 N ASP A 131 -0.097 6.158 12.097 1.00 72.22 N ATOM 2208 CA ASP A 131 1.250 6.671 11.864 1.00 74.34 C ATOM 2209 C ASP A 131 1.438 7.012 10.378 1.00 23.35 C ATOM 2210 O ASP A 131 0.936 6.307 9.501 1.00 54.44 O ATOM 2211 CB ASP A 131 2.299 5.644 12.305 1.00 44.21 C ATOM 2212 CG ASP A 131 3.572 6.309 12.807 1.00 31.32 C ATOM 2213 OD1 ASP A 131 3.510 6.999 13.851 1.00 21.24 O ATOM 2214 OD2 ASP A 131 4.628 6.170 12.156 1.00 72.22 O ATOM 0 H ASP A 131 -0.205 5.161 11.908 1.00 72.22 H new ATOM 0 HA ASP A 131 1.381 7.578 12.454 1.00 74.34 H new ATOM 0 HB2 ASP A 131 1.883 5.016 13.093 1.00 44.21 H new ATOM 0 HB3 ASP A 131 2.538 4.988 11.468 1.00 44.21 H new ATOM 2219 N VAL A 132 2.153 8.095 10.099 1.00 34.32 N ATOM 2220 CA VAL A 132 2.379 8.539 8.721 1.00 50.32 C ATOM 2221 C VAL A 132 3.881 8.731 8.452 1.00 44.35 C ATOM 2222 O VAL A 132 4.563 9.445 9.185 1.00 75.31 O ATOM 2223 CB VAL A 132 1.616 9.858 8.429 1.00 11.54 C ATOM 2224 CG1 VAL A 132 1.834 10.313 6.991 1.00 12.42 C ATOM 2225 CG2 VAL A 132 0.123 9.697 8.720 1.00 2.53 C ATOM 0 H VAL A 132 2.589 8.686 10.807 1.00 34.32 H new ATOM 0 HA VAL A 132 1.998 7.764 8.056 1.00 50.32 H new ATOM 0 HB VAL A 132 2.015 10.627 9.090 1.00 11.54 H new ATOM 0 HG11 VAL A 132 1.287 11.240 6.816 1.00 12.42 H new ATOM 0 HG12 VAL A 132 2.897 10.481 6.820 1.00 12.42 H new ATOM 0 HG13 VAL A 132 1.474 9.544 6.308 1.00 12.42 H new ATOM 0 HG21 VAL A 132 -0.392 10.634 8.508 1.00 2.53 H new ATOM 0 HG22 VAL A 132 -0.287 8.907 8.091 1.00 2.53 H new ATOM 0 HG23 VAL A 132 -0.017 9.435 9.769 1.00 2.53 H new ATOM 2235 N ARG A 133 4.382 8.088 7.397 1.00 30.24 N ATOM 2236 CA ARG A 133 5.815 8.100 7.073 1.00 61.44 C ATOM 2237 C ARG A 133 6.079 8.694 5.683 1.00 34.12 C ATOM 2238 O ARG A 133 5.267 8.553 4.763 1.00 44.02 O ATOM 2239 CB ARG A 133 6.378 6.672 7.149 1.00 60.33 C ATOM 2240 CG ARG A 133 6.315 6.052 8.544 1.00 43.41 C ATOM 2241 CD ARG A 133 7.437 6.544 9.460 1.00 2.44 C ATOM 2242 NE ARG A 133 7.484 8.005 9.573 1.00 14.01 N ATOM 2243 CZ ARG A 133 7.034 8.682 10.596 1.00 71.32 C ATOM 2244 NH1 ARG A 133 6.401 8.093 11.558 1.00 53.35 N ATOM 2245 NH2 ARG A 133 7.180 9.965 10.627 1.00 45.13 N ATOM 0 H ARG A 133 3.814 7.547 6.745 1.00 30.24 H new ATOM 0 HA ARG A 133 6.318 8.733 7.804 1.00 61.44 H new ATOM 0 HB2 ARG A 133 5.826 6.038 6.456 1.00 60.33 H new ATOM 0 HB3 ARG A 133 7.415 6.683 6.814 1.00 60.33 H new ATOM 0 HG2 ARG A 133 5.352 6.286 8.998 1.00 43.41 H new ATOM 0 HG3 ARG A 133 6.371 4.967 8.458 1.00 43.41 H new ATOM 0 HD2 ARG A 133 7.304 6.112 10.452 1.00 2.44 H new ATOM 0 HD3 ARG A 133 8.393 6.183 9.081 1.00 2.44 H new ATOM 0 HE ARG A 133 7.896 8.529 8.801 1.00 14.01 H new ATOM 0 HH11 ARG A 133 6.247 7.085 11.525 1.00 53.35 H new ATOM 0 HH12 ARG A 133 6.056 8.636 12.349 1.00 53.35 H new ATOM 0 HH21 ARG A 133 7.644 10.444 9.856 1.00 45.13 H new ATOM 0 HH22 ARG A 133 6.831 10.499 11.423 1.00 45.13 H new ATOM 2259 N THR A 134 7.231 9.349 5.534 1.00 64.10 N ATOM 2260 CA THR A 134 7.590 10.032 4.283 1.00 31.32 C ATOM 2261 C THR A 134 8.896 9.508 3.680 1.00 33.03 C ATOM 2262 O THR A 134 9.946 9.520 4.330 1.00 21.41 O ATOM 2263 CB THR A 134 7.753 11.553 4.497 1.00 74.13 C ATOM 2264 OG1 THR A 134 8.744 11.808 5.508 1.00 1.20 O ATOM 2265 CG2 THR A 134 6.442 12.195 4.908 1.00 75.42 C ATOM 0 H THR A 134 7.937 9.423 6.266 1.00 64.10 H new ATOM 0 HA THR A 134 6.768 9.827 3.597 1.00 31.32 H new ATOM 0 HB THR A 134 8.072 11.988 3.550 1.00 74.13 H new ATOM 0 HG1 THR A 134 9.486 11.176 5.405 1.00 1.20 H new ATOM 0 HG21 THR A 134 6.590 13.265 5.051 1.00 75.42 H new ATOM 0 HG22 THR A 134 5.697 12.033 4.129 1.00 75.42 H new ATOM 0 HG23 THR A 134 6.095 11.749 5.840 1.00 75.42 H new ATOM 2273 N VAL A 135 8.830 9.054 2.430 1.00 53.14 N ATOM 2274 CA VAL A 135 10.027 8.693 1.666 1.00 53.45 C ATOM 2275 C VAL A 135 9.930 9.232 0.230 1.00 42.24 C ATOM 2276 O VAL A 135 8.839 9.358 -0.323 1.00 52.12 O ATOM 2277 CB VAL A 135 10.259 7.157 1.623 1.00 24.24 C ATOM 2278 CG1 VAL A 135 10.344 6.571 3.033 1.00 31.11 C ATOM 2279 CG2 VAL A 135 9.174 6.461 0.802 1.00 70.21 C ATOM 0 H VAL A 135 7.956 8.926 1.920 1.00 53.14 H new ATOM 0 HA VAL A 135 10.875 9.147 2.178 1.00 53.45 H new ATOM 0 HB VAL A 135 11.216 6.979 1.132 1.00 24.24 H new ATOM 0 HG11 VAL A 135 10.507 5.495 2.971 1.00 31.11 H new ATOM 0 HG12 VAL A 135 11.173 7.033 3.570 1.00 31.11 H new ATOM 0 HG13 VAL A 135 9.413 6.767 3.565 1.00 31.11 H new ATOM 0 HG21 VAL A 135 9.361 5.387 0.788 1.00 70.21 H new ATOM 0 HG22 VAL A 135 8.199 6.654 1.249 1.00 70.21 H new ATOM 0 HG23 VAL A 135 9.187 6.845 -0.218 1.00 70.21 H new ATOM 2289 N SER A 136 11.068 9.582 -0.353 1.00 23.22 N ATOM 2290 CA SER A 136 11.129 10.041 -1.752 1.00 0.31 C ATOM 2291 C SER A 136 11.812 8.999 -2.639 1.00 33.33 C ATOM 2292 O SER A 136 11.475 8.840 -3.812 1.00 31.45 O ATOM 2293 CB SER A 136 11.892 11.370 -1.854 1.00 72.11 C ATOM 2294 OG SER A 136 12.053 11.779 -3.206 1.00 3.44 O ATOM 0 H SER A 136 11.973 9.560 0.117 1.00 23.22 H new ATOM 0 HA SER A 136 10.105 10.186 -2.096 1.00 0.31 H new ATOM 0 HB2 SER A 136 11.356 12.141 -1.301 1.00 72.11 H new ATOM 0 HB3 SER A 136 12.871 11.265 -1.386 1.00 72.11 H new ATOM 0 HG SER A 136 12.541 12.628 -3.235 1.00 3.44 H new ATOM 2300 N ASP A 137 12.768 8.278 -2.059 1.00 3.54 N ATOM 2301 CA ASP A 137 13.561 7.297 -2.805 1.00 44.24 C ATOM 2302 C ASP A 137 13.086 5.858 -2.558 1.00 70.10 C ATOM 2303 O ASP A 137 12.495 5.545 -1.522 1.00 12.24 O ATOM 2304 CB ASP A 137 15.042 7.428 -2.432 1.00 75.22 C ATOM 2305 CG ASP A 137 15.619 8.772 -2.843 1.00 72.42 C ATOM 2306 OD1 ASP A 137 15.476 9.751 -2.077 1.00 50.53 O ATOM 2307 OD2 ASP A 137 16.225 8.858 -3.930 1.00 1.31 O ATOM 0 H ASP A 137 13.015 8.353 -1.072 1.00 3.54 H new ATOM 0 HA ASP A 137 13.427 7.509 -3.866 1.00 44.24 H new ATOM 0 HB2 ASP A 137 15.157 7.299 -1.356 1.00 75.22 H new ATOM 0 HB3 ASP A 137 15.608 6.629 -2.911 1.00 75.22 H new ATOM 2312 N LYS A 138 13.361 4.995 -3.530 1.00 43.03 N ATOM 2313 CA LYS A 138 13.035 3.568 -3.451 1.00 61.44 C ATOM 2314 C LYS A 138 13.654 2.898 -2.210 1.00 43.23 C ATOM 2315 O LYS A 138 12.945 2.310 -1.392 1.00 41.13 O ATOM 2316 CB LYS A 138 13.519 2.876 -4.738 1.00 63.22 C ATOM 2317 CG LYS A 138 13.870 1.404 -4.578 1.00 63.02 C ATOM 2318 CD LYS A 138 14.392 0.826 -5.887 1.00 73.21 C ATOM 2319 CE LYS A 138 15.260 -0.405 -5.669 1.00 65.40 C ATOM 2320 NZ LYS A 138 16.560 -0.081 -5.018 1.00 73.42 N ATOM 0 H LYS A 138 13.819 5.263 -4.401 1.00 43.03 H new ATOM 0 HA LYS A 138 11.954 3.466 -3.354 1.00 61.44 H new ATOM 0 HB2 LYS A 138 12.743 2.969 -5.498 1.00 63.22 H new ATOM 0 HB3 LYS A 138 14.396 3.406 -5.111 1.00 63.22 H new ATOM 0 HG2 LYS A 138 14.623 1.288 -3.798 1.00 63.02 H new ATOM 0 HG3 LYS A 138 12.989 0.849 -4.256 1.00 63.02 H new ATOM 0 HD2 LYS A 138 13.550 0.565 -6.528 1.00 73.21 H new ATOM 0 HD3 LYS A 138 14.969 1.586 -6.413 1.00 73.21 H new ATOM 0 HE2 LYS A 138 14.718 -1.123 -5.053 1.00 65.40 H new ATOM 0 HE3 LYS A 138 15.448 -0.887 -6.628 1.00 65.40 H new ATOM 0 HZ1 LYS A 138 17.221 -0.873 -5.149 1.00 73.42 H new ATOM 0 HZ2 LYS A 138 16.959 0.778 -5.448 1.00 73.42 H new ATOM 0 HZ3 LYS A 138 16.409 0.079 -4.002 1.00 73.42 H new ATOM 2334 N GLU A 139 14.975 2.996 -2.080 1.00 33.24 N ATOM 2335 CA GLU A 139 15.708 2.342 -0.989 1.00 23.41 C ATOM 2336 C GLU A 139 15.165 2.750 0.394 1.00 22.24 C ATOM 2337 O GLU A 139 15.030 1.914 1.290 1.00 72.21 O ATOM 2338 CB GLU A 139 17.201 2.672 -1.106 1.00 31.31 C ATOM 2339 CG GLU A 139 18.086 1.912 -0.128 1.00 63.45 C ATOM 2340 CD GLU A 139 19.565 2.067 -0.443 1.00 61.03 C ATOM 2341 OE1 GLU A 139 20.095 1.257 -1.235 1.00 12.11 O ATOM 2342 OE2 GLU A 139 20.203 2.996 0.092 1.00 23.41 O ATOM 0 H GLU A 139 15.567 3.525 -2.720 1.00 33.24 H new ATOM 0 HA GLU A 139 15.566 1.265 -1.080 1.00 23.41 H new ATOM 0 HB2 GLU A 139 17.531 2.455 -2.122 1.00 31.31 H new ATOM 0 HB3 GLU A 139 17.339 3.742 -0.948 1.00 31.31 H new ATOM 0 HG2 GLU A 139 17.894 2.268 0.884 1.00 63.45 H new ATOM 0 HG3 GLU A 139 17.822 0.855 -0.149 1.00 63.45 H new ATOM 2349 N GLU A 140 14.833 4.029 0.551 1.00 5.20 N ATOM 2350 CA GLU A 140 14.243 4.533 1.799 1.00 70.44 C ATOM 2351 C GLU A 140 12.947 3.782 2.142 1.00 23.41 C ATOM 2352 O GLU A 140 12.679 3.465 3.302 1.00 60.44 O ATOM 2353 CB GLU A 140 13.948 6.035 1.673 1.00 12.21 C ATOM 2354 CG GLU A 140 15.177 6.882 1.359 1.00 4.32 C ATOM 2355 CD GLU A 140 16.307 6.675 2.354 1.00 42.33 C ATOM 2356 OE1 GLU A 140 16.219 7.198 3.484 1.00 52.43 O ATOM 2357 OE2 GLU A 140 17.288 5.988 2.009 1.00 63.14 O ATOM 0 H GLU A 140 14.961 4.740 -0.169 1.00 5.20 H new ATOM 0 HA GLU A 140 14.962 4.367 2.602 1.00 70.44 H new ATOM 0 HB2 GLU A 140 13.206 6.185 0.889 1.00 12.21 H new ATOM 0 HB3 GLU A 140 13.504 6.387 2.604 1.00 12.21 H new ATOM 0 HG2 GLU A 140 15.533 6.640 0.357 1.00 4.32 H new ATOM 0 HG3 GLU A 140 14.894 7.935 1.351 1.00 4.32 H new ATOM 2364 N LEU A 141 12.157 3.496 1.111 1.00 12.24 N ATOM 2365 CA LEU A 141 10.890 2.783 1.274 1.00 51.30 C ATOM 2366 C LEU A 141 11.150 1.313 1.654 1.00 65.13 C ATOM 2367 O LEU A 141 10.474 0.752 2.521 1.00 3.40 O ATOM 2368 CB LEU A 141 10.076 2.882 -0.032 1.00 4.42 C ATOM 2369 CG LEU A 141 8.543 2.808 0.113 1.00 70.22 C ATOM 2370 CD1 LEU A 141 7.868 3.106 -1.224 1.00 11.55 C ATOM 2371 CD2 LEU A 141 8.091 1.448 0.644 1.00 70.45 C ATOM 0 H LEU A 141 12.373 3.748 0.147 1.00 12.24 H new ATOM 0 HA LEU A 141 10.316 3.239 2.080 1.00 51.30 H new ATOM 0 HB2 LEU A 141 10.329 3.822 -0.522 1.00 4.42 H new ATOM 0 HB3 LEU A 141 10.396 2.080 -0.697 1.00 4.42 H new ATOM 0 HG LEU A 141 8.243 3.563 0.840 1.00 70.22 H new ATOM 0 HD11 LEU A 141 6.786 3.050 -1.106 1.00 11.55 H new ATOM 0 HD12 LEU A 141 8.145 4.106 -1.557 1.00 11.55 H new ATOM 0 HD13 LEU A 141 8.190 2.375 -1.965 1.00 11.55 H new ATOM 0 HD21 LEU A 141 7.005 1.435 0.732 1.00 70.45 H new ATOM 0 HD22 LEU A 141 8.409 0.665 -0.044 1.00 70.45 H new ATOM 0 HD23 LEU A 141 8.537 1.273 1.623 1.00 70.45 H new ATOM 2383 N ILE A 142 12.148 0.705 1.013 1.00 21.31 N ATOM 2384 CA ILE A 142 12.534 -0.682 1.313 1.00 53.41 C ATOM 2385 C ILE A 142 12.853 -0.858 2.806 1.00 10.32 C ATOM 2386 O ILE A 142 12.446 -1.841 3.428 1.00 63.01 O ATOM 2387 CB ILE A 142 13.769 -1.118 0.482 1.00 33.32 C ATOM 2388 CG1 ILE A 142 13.505 -0.937 -1.023 1.00 54.31 C ATOM 2389 CG2 ILE A 142 14.152 -2.565 0.791 1.00 23.25 C ATOM 2390 CD1 ILE A 142 12.342 -1.753 -1.551 1.00 40.25 C ATOM 0 H ILE A 142 12.706 1.147 0.283 1.00 21.31 H new ATOM 0 HA ILE A 142 11.684 -1.310 1.047 1.00 53.41 H new ATOM 0 HB ILE A 142 14.606 -0.478 0.762 1.00 33.32 H new ATOM 0 HG12 ILE A 142 13.315 0.118 -1.223 1.00 54.31 H new ATOM 0 HG13 ILE A 142 14.405 -1.209 -1.574 1.00 54.31 H new ATOM 0 HG21 ILE A 142 15.021 -2.847 0.196 1.00 23.25 H new ATOM 0 HG22 ILE A 142 14.392 -2.660 1.850 1.00 23.25 H new ATOM 0 HG23 ILE A 142 13.317 -3.222 0.548 1.00 23.25 H new ATOM 0 HD11 ILE A 142 12.223 -1.568 -2.619 1.00 40.25 H new ATOM 0 HD12 ILE A 142 12.536 -2.813 -1.385 1.00 40.25 H new ATOM 0 HD13 ILE A 142 11.429 -1.466 -1.029 1.00 40.25 H new ATOM 2402 N GLU A 143 13.572 0.109 3.373 1.00 21.12 N ATOM 2403 CA GLU A 143 13.934 0.084 4.795 1.00 71.35 C ATOM 2404 C GLU A 143 12.694 -0.010 5.704 1.00 4.32 C ATOM 2405 O GLU A 143 12.726 -0.662 6.750 1.00 15.30 O ATOM 2406 CB GLU A 143 14.757 1.328 5.153 1.00 62.21 C ATOM 2407 CG GLU A 143 16.078 1.436 4.397 1.00 33.22 C ATOM 2408 CD GLU A 143 16.957 0.207 4.573 1.00 73.51 C ATOM 2409 OE1 GLU A 143 17.453 -0.021 5.699 1.00 3.31 O ATOM 2410 OE2 GLU A 143 17.145 -0.545 3.593 1.00 50.34 O ATOM 0 H GLU A 143 13.919 0.925 2.869 1.00 21.12 H new ATOM 0 HA GLU A 143 14.534 -0.810 4.965 1.00 71.35 H new ATOM 0 HB2 GLU A 143 14.160 2.217 4.950 1.00 62.21 H new ATOM 0 HB3 GLU A 143 14.962 1.320 6.223 1.00 62.21 H new ATOM 0 HG2 GLU A 143 15.874 1.583 3.336 1.00 33.22 H new ATOM 0 HG3 GLU A 143 16.619 2.317 4.743 1.00 33.22 H new ATOM 2417 N GLN A 144 11.603 0.644 5.305 1.00 74.44 N ATOM 2418 CA GLN A 144 10.334 0.543 6.041 1.00 24.53 C ATOM 2419 C GLN A 144 9.773 -0.888 5.980 1.00 71.51 C ATOM 2420 O GLN A 144 9.322 -1.438 6.988 1.00 24.30 O ATOM 2421 CB GLN A 144 9.302 1.538 5.483 1.00 12.22 C ATOM 2422 CG GLN A 144 9.639 3.004 5.748 1.00 55.40 C ATOM 2423 CD GLN A 144 9.661 3.347 7.231 1.00 10.34 C ATOM 2424 OE1 GLN A 144 8.644 3.699 7.816 1.00 23.10 O ATOM 2425 NE2 GLN A 144 10.822 3.264 7.848 1.00 14.31 N ATOM 0 H GLN A 144 11.568 1.246 4.483 1.00 74.44 H new ATOM 0 HA GLN A 144 10.533 0.791 7.084 1.00 24.53 H new ATOM 0 HB2 GLN A 144 9.212 1.386 4.407 1.00 12.22 H new ATOM 0 HB3 GLN A 144 8.328 1.316 5.919 1.00 12.22 H new ATOM 0 HG2 GLN A 144 10.612 3.233 5.313 1.00 55.40 H new ATOM 0 HG3 GLN A 144 8.908 3.637 5.245 1.00 55.40 H new ATOM 0 HE21 GLN A 144 11.652 2.968 7.335 1.00 14.31 H new ATOM 0 HE22 GLN A 144 10.891 3.496 8.839 1.00 14.31 H new ATOM 2434 N VAL A 145 9.820 -1.484 4.788 1.00 32.33 N ATOM 2435 CA VAL A 145 9.358 -2.863 4.579 1.00 4.01 C ATOM 2436 C VAL A 145 10.187 -3.856 5.413 1.00 53.33 C ATOM 2437 O VAL A 145 9.642 -4.757 6.054 1.00 3.04 O ATOM 2438 CB VAL A 145 9.443 -3.254 3.082 1.00 41.41 C ATOM 2439 CG1 VAL A 145 8.880 -4.656 2.843 1.00 3.42 C ATOM 2440 CG2 VAL A 145 8.723 -2.220 2.216 1.00 50.12 C ATOM 0 H VAL A 145 10.175 -1.032 3.945 1.00 32.33 H new ATOM 0 HA VAL A 145 8.318 -2.910 4.902 1.00 4.01 H new ATOM 0 HB VAL A 145 10.495 -3.268 2.796 1.00 41.41 H new ATOM 0 HG11 VAL A 145 8.953 -4.902 1.784 1.00 3.42 H new ATOM 0 HG12 VAL A 145 9.450 -5.381 3.424 1.00 3.42 H new ATOM 0 HG13 VAL A 145 7.835 -4.686 3.151 1.00 3.42 H new ATOM 0 HG21 VAL A 145 8.793 -2.511 1.168 1.00 50.12 H new ATOM 0 HG22 VAL A 145 7.674 -2.167 2.509 1.00 50.12 H new ATOM 0 HG23 VAL A 145 9.188 -1.244 2.353 1.00 50.12 H new ATOM 2450 N ARG A 146 11.507 -3.670 5.408 1.00 75.25 N ATOM 2451 CA ARG A 146 12.417 -4.489 6.219 1.00 33.30 C ATOM 2452 C ARG A 146 12.045 -4.401 7.709 1.00 44.33 C ATOM 2453 O ARG A 146 12.002 -5.408 8.416 1.00 15.45 O ATOM 2454 CB ARG A 146 13.871 -4.028 6.015 1.00 3.10 C ATOM 2455 CG ARG A 146 14.353 -4.096 4.567 1.00 24.21 C ATOM 2456 CD ARG A 146 15.742 -3.482 4.400 1.00 63.02 C ATOM 2457 NE ARG A 146 16.751 -4.130 5.242 1.00 3.12 N ATOM 2458 CZ ARG A 146 17.987 -3.714 5.346 1.00 72.44 C ATOM 2459 NH1 ARG A 146 18.390 -2.667 4.705 1.00 4.34 N ATOM 2460 NH2 ARG A 146 18.820 -4.334 6.115 1.00 10.15 N ATOM 0 H ARG A 146 11.975 -2.956 4.849 1.00 75.25 H new ATOM 0 HA ARG A 146 12.323 -5.526 5.897 1.00 33.30 H new ATOM 0 HB2 ARG A 146 13.968 -3.002 6.371 1.00 3.10 H new ATOM 0 HB3 ARG A 146 14.525 -4.643 6.633 1.00 3.10 H new ATOM 0 HG2 ARG A 146 14.374 -5.135 4.240 1.00 24.21 H new ATOM 0 HG3 ARG A 146 13.645 -3.573 3.924 1.00 24.21 H new ATOM 0 HD2 ARG A 146 16.044 -3.556 3.355 1.00 63.02 H new ATOM 0 HD3 ARG A 146 15.698 -2.421 4.645 1.00 63.02 H new ATOM 0 HE ARG A 146 16.474 -4.953 5.778 1.00 3.12 H new ATOM 0 HH11 ARG A 146 17.742 -2.153 4.108 1.00 4.34 H new ATOM 0 HH12 ARG A 146 19.357 -2.354 4.796 1.00 4.34 H new ATOM 0 HH21 ARG A 146 18.515 -5.151 6.644 1.00 10.15 H new ATOM 0 HH22 ARG A 146 19.783 -4.006 6.193 1.00 10.15 H new ATOM 2474 N ARG A 147 11.762 -3.184 8.172 1.00 1.12 N ATOM 2475 CA ARG A 147 11.378 -2.947 9.570 1.00 32.21 C ATOM 2476 C ARG A 147 9.990 -3.520 9.903 1.00 54.04 C ATOM 2477 O ARG A 147 9.701 -3.825 11.063 1.00 33.52 O ATOM 2478 CB ARG A 147 11.438 -1.452 9.884 1.00 12.35 C ATOM 2479 CG ARG A 147 12.866 -0.922 9.968 1.00 23.21 C ATOM 2480 CD ARG A 147 12.906 0.563 10.286 1.00 44.40 C ATOM 2481 NE ARG A 147 14.262 1.004 10.609 1.00 45.54 N ATOM 2482 CZ ARG A 147 15.118 1.469 9.740 1.00 74.45 C ATOM 2483 NH1 ARG A 147 14.806 1.571 8.489 1.00 35.14 N ATOM 2484 NH2 ARG A 147 16.301 1.814 10.128 1.00 44.51 N ATOM 0 H ARG A 147 11.791 -2.341 7.599 1.00 1.12 H new ATOM 0 HA ARG A 147 12.094 -3.475 10.200 1.00 32.21 H new ATOM 0 HB2 ARG A 147 10.896 -0.902 9.115 1.00 12.35 H new ATOM 0 HB3 ARG A 147 10.929 -1.263 10.829 1.00 12.35 H new ATOM 0 HG2 ARG A 147 13.412 -1.471 10.735 1.00 23.21 H new ATOM 0 HG3 ARG A 147 13.376 -1.104 9.022 1.00 23.21 H new ATOM 0 HD2 ARG A 147 12.531 1.129 9.433 1.00 44.40 H new ATOM 0 HD3 ARG A 147 12.243 0.775 11.125 1.00 44.40 H new ATOM 0 HE ARG A 147 14.560 0.944 11.583 1.00 45.54 H new ATOM 0 HH11 ARG A 147 13.880 1.286 8.169 1.00 35.14 H new ATOM 0 HH12 ARG A 147 15.486 1.936 7.822 1.00 35.14 H new ATOM 0 HH21 ARG A 147 16.563 1.722 11.110 1.00 44.51 H new ATOM 0 HH22 ARG A 147 16.973 2.178 9.453 1.00 44.51 H new ATOM 2498 N PHE A 148 9.131 -3.662 8.896 1.00 61.41 N ATOM 2499 CA PHE A 148 7.833 -4.323 9.088 1.00 71.33 C ATOM 2500 C PHE A 148 8.027 -5.777 9.551 1.00 25.21 C ATOM 2501 O PHE A 148 7.430 -6.216 10.537 1.00 51.41 O ATOM 2502 CB PHE A 148 7.005 -4.288 7.796 1.00 14.32 C ATOM 2503 CG PHE A 148 5.746 -5.122 7.866 1.00 22.53 C ATOM 2504 CD1 PHE A 148 4.734 -4.800 8.760 1.00 72.23 C ATOM 2505 CD2 PHE A 148 5.578 -6.227 7.040 1.00 54.10 C ATOM 2506 CE1 PHE A 148 3.585 -5.563 8.829 1.00 33.34 C ATOM 2507 CE2 PHE A 148 4.428 -6.991 7.108 1.00 4.10 C ATOM 2508 CZ PHE A 148 3.432 -6.659 8.003 1.00 41.05 C ATOM 0 H PHE A 148 9.303 -3.333 7.946 1.00 61.41 H new ATOM 0 HA PHE A 148 7.291 -3.779 9.862 1.00 71.33 H new ATOM 0 HB2 PHE A 148 6.736 -3.255 7.574 1.00 14.32 H new ATOM 0 HB3 PHE A 148 7.621 -4.642 6.969 1.00 14.32 H new ATOM 0 HD1 PHE A 148 4.846 -3.944 9.408 1.00 72.23 H new ATOM 0 HD2 PHE A 148 6.354 -6.492 6.337 1.00 54.10 H new ATOM 0 HE1 PHE A 148 2.805 -5.302 9.530 1.00 33.34 H new ATOM 0 HE2 PHE A 148 4.309 -7.847 6.461 1.00 4.10 H new ATOM 0 HZ PHE A 148 2.533 -7.256 8.058 1.00 41.05 H new ATOM 2518 N VAL A 149 8.877 -6.506 8.839 1.00 32.42 N ATOM 2519 CA VAL A 149 9.201 -7.893 9.193 1.00 63.43 C ATOM 2520 C VAL A 149 9.834 -7.980 10.597 1.00 41.54 C ATOM 2521 O VAL A 149 9.739 -9.006 11.277 1.00 45.31 O ATOM 2522 CB VAL A 149 10.163 -8.520 8.148 1.00 3.22 C ATOM 2523 CG1 VAL A 149 10.417 -9.999 8.445 1.00 31.21 C ATOM 2524 CG2 VAL A 149 9.613 -8.333 6.735 1.00 11.32 C ATOM 0 H VAL A 149 9.359 -6.163 8.008 1.00 32.42 H new ATOM 0 HA VAL A 149 8.266 -8.453 9.198 1.00 63.43 H new ATOM 0 HB VAL A 149 11.120 -8.002 8.216 1.00 3.22 H new ATOM 0 HG11 VAL A 149 11.094 -10.409 7.696 1.00 31.21 H new ATOM 0 HG12 VAL A 149 10.865 -10.100 9.433 1.00 31.21 H new ATOM 0 HG13 VAL A 149 9.473 -10.543 8.418 1.00 31.21 H new ATOM 0 HG21 VAL A 149 10.300 -8.778 6.015 1.00 11.32 H new ATOM 0 HG22 VAL A 149 8.640 -8.818 6.656 1.00 11.32 H new ATOM 0 HG23 VAL A 149 9.506 -7.269 6.524 1.00 11.32 H new ATOM 2534 N ARG A 150 10.470 -6.893 11.033 1.00 2.53 N ATOM 2535 CA ARG A 150 11.113 -6.851 12.352 1.00 43.11 C ATOM 2536 C ARG A 150 10.101 -6.570 13.481 1.00 25.13 C ATOM 2537 O ARG A 150 10.149 -7.208 14.537 1.00 65.44 O ATOM 2538 CB ARG A 150 12.229 -5.799 12.374 1.00 43.31 C ATOM 2539 CG ARG A 150 13.278 -5.998 11.281 1.00 13.33 C ATOM 2540 CD ARG A 150 14.541 -5.181 11.542 1.00 4.55 C ATOM 2541 NE ARG A 150 15.254 -5.660 12.728 1.00 25.45 N ATOM 2542 CZ ARG A 150 16.531 -5.496 12.942 1.00 44.32 C ATOM 2543 NH1 ARG A 150 17.259 -4.807 12.123 1.00 32.22 N ATOM 2544 NH2 ARG A 150 17.075 -6.011 13.995 1.00 32.34 N ATOM 0 H ARG A 150 10.555 -6.030 10.496 1.00 2.53 H new ATOM 0 HA ARG A 150 11.543 -7.836 12.530 1.00 43.11 H new ATOM 0 HB2 ARG A 150 11.786 -4.809 12.265 1.00 43.31 H new ATOM 0 HB3 ARG A 150 12.721 -5.823 13.347 1.00 43.31 H new ATOM 0 HG2 ARG A 150 13.537 -7.055 11.216 1.00 13.33 H new ATOM 0 HG3 ARG A 150 12.855 -5.714 10.317 1.00 13.33 H new ATOM 0 HD2 ARG A 150 15.198 -5.237 10.674 1.00 4.55 H new ATOM 0 HD3 ARG A 150 14.276 -4.132 11.674 1.00 4.55 H new ATOM 0 HE ARG A 150 14.715 -6.157 13.437 1.00 25.45 H new ATOM 0 HH11 ARG A 150 16.836 -4.384 11.297 1.00 32.22 H new ATOM 0 HH12 ARG A 150 18.256 -4.687 12.304 1.00 32.22 H new ATOM 0 HH21 ARG A 150 16.507 -6.543 14.654 1.00 32.34 H new ATOM 0 HH22 ARG A 150 18.073 -5.886 14.167 1.00 32.34 H new ATOM 2558 N LYS A 151 9.187 -5.618 13.261 1.00 42.21 N ATOM 2559 CA LYS A 151 8.190 -5.258 14.284 1.00 2.21 C ATOM 2560 C LYS A 151 7.225 -6.422 14.571 1.00 21.22 C ATOM 2561 O LYS A 151 6.849 -6.657 15.720 1.00 23.40 O ATOM 2562 CB LYS A 151 7.400 -3.997 13.879 1.00 52.01 C ATOM 2563 CG LYS A 151 6.618 -4.133 12.574 1.00 30.31 C ATOM 2564 CD LYS A 151 5.706 -2.931 12.316 1.00 32.12 C ATOM 2565 CE LYS A 151 6.479 -1.615 12.243 1.00 64.23 C ATOM 2566 NZ LYS A 151 5.579 -0.457 11.974 1.00 74.41 N ATOM 0 H LYS A 151 9.114 -5.086 12.394 1.00 42.21 H new ATOM 0 HA LYS A 151 8.740 -5.040 15.200 1.00 2.21 H new ATOM 0 HB2 LYS A 151 6.705 -3.746 14.680 1.00 52.01 H new ATOM 0 HB3 LYS A 151 8.095 -3.162 13.787 1.00 52.01 H new ATOM 0 HG2 LYS A 151 7.316 -4.241 11.744 1.00 30.31 H new ATOM 0 HG3 LYS A 151 6.017 -5.042 12.606 1.00 30.31 H new ATOM 0 HD2 LYS A 151 5.165 -3.083 11.382 1.00 32.12 H new ATOM 0 HD3 LYS A 151 4.961 -2.867 13.109 1.00 32.12 H new ATOM 0 HE2 LYS A 151 7.009 -1.453 13.181 1.00 64.23 H new ATOM 0 HE3 LYS A 151 7.233 -1.679 11.458 1.00 64.23 H new ATOM 0 HZ1 LYS A 151 5.710 0.263 12.713 1.00 74.41 H new ATOM 0 HZ2 LYS A 151 5.809 -0.047 11.046 1.00 74.41 H new ATOM 0 HZ3 LYS A 151 4.590 -0.778 11.975 1.00 74.41 H new ATOM 2580 N VAL A 152 6.834 -7.154 13.528 1.00 54.20 N ATOM 2581 CA VAL A 152 5.944 -8.310 13.692 1.00 12.21 C ATOM 2582 C VAL A 152 6.692 -9.514 14.295 1.00 61.43 C ATOM 2583 O VAL A 152 6.090 -10.372 14.940 1.00 10.03 O ATOM 2584 CB VAL A 152 5.288 -8.729 12.351 1.00 14.50 C ATOM 2585 CG1 VAL A 152 4.443 -7.591 11.783 1.00 4.45 C ATOM 2586 CG2 VAL A 152 6.341 -9.178 11.339 1.00 22.32 C ATOM 0 H VAL A 152 7.116 -6.971 12.565 1.00 54.20 H new ATOM 0 HA VAL A 152 5.158 -7.999 14.380 1.00 12.21 H new ATOM 0 HB VAL A 152 4.632 -9.576 12.550 1.00 14.50 H new ATOM 0 HG11 VAL A 152 3.992 -7.907 10.842 1.00 4.45 H new ATOM 0 HG12 VAL A 152 3.657 -7.332 12.493 1.00 4.45 H new ATOM 0 HG13 VAL A 152 5.075 -6.721 11.608 1.00 4.45 H new ATOM 0 HG21 VAL A 152 5.852 -9.466 10.408 1.00 22.32 H new ATOM 0 HG22 VAL A 152 7.033 -8.358 11.147 1.00 22.32 H new ATOM 0 HG23 VAL A 152 6.890 -10.030 11.739 1.00 22.32 H new ATOM 2596 N GLY A 153 8.008 -9.563 14.085 1.00 52.45 N ATOM 2597 CA GLY A 153 8.820 -10.655 14.618 1.00 73.35 C ATOM 2598 C GLY A 153 9.227 -10.453 16.076 1.00 73.03 C ATOM 2599 O GLY A 153 9.408 -11.422 16.818 1.00 22.51 O ATOM 0 H GLY A 153 8.530 -8.865 13.554 1.00 52.45 H new ATOM 0 HA2 GLY A 153 8.263 -11.588 14.530 1.00 73.35 H new ATOM 0 HA3 GLY A 153 9.718 -10.761 14.009 1.00 73.35 H new ATOM 2603 N SER A 154 9.392 -9.196 16.486 1.00 22.52 N ATOM 2604 CA SER A 154 9.777 -8.873 17.872 1.00 42.50 C ATOM 2605 C SER A 154 8.560 -8.505 18.734 1.00 41.42 C ATOM 2606 O SER A 154 8.626 -8.557 19.963 1.00 21.34 O ATOM 2607 CB SER A 154 10.786 -7.717 17.890 1.00 52.05 C ATOM 2608 OG SER A 154 11.235 -7.434 19.209 1.00 24.53 O ATOM 0 H SER A 154 9.267 -8.382 15.885 1.00 22.52 H new ATOM 0 HA SER A 154 10.234 -9.767 18.296 1.00 42.50 H new ATOM 0 HB2 SER A 154 11.640 -7.969 17.261 1.00 52.05 H new ATOM 0 HB3 SER A 154 10.327 -6.826 17.462 1.00 52.05 H new ATOM 0 HG SER A 154 11.877 -6.694 19.184 1.00 24.53 H new ATOM 2614 N LEU A 155 7.457 -8.135 18.076 1.00 42.21 N ATOM 2615 CA LEU A 155 6.222 -7.710 18.755 1.00 2.32 C ATOM 2616 C LEU A 155 6.445 -6.450 19.608 1.00 62.35 C ATOM 2617 O LEU A 155 6.720 -6.526 20.806 1.00 73.12 O ATOM 2618 CB LEU A 155 5.641 -8.846 19.611 1.00 72.05 C ATOM 2619 CG LEU A 155 5.237 -10.109 18.835 1.00 72.24 C ATOM 2620 CD1 LEU A 155 4.663 -11.156 19.783 1.00 23.31 C ATOM 2621 CD2 LEU A 155 4.240 -9.772 17.726 1.00 43.31 C ATOM 0 H LEU A 155 7.392 -8.121 17.058 1.00 42.21 H new ATOM 0 HA LEU A 155 5.499 -7.461 17.978 1.00 2.32 H new ATOM 0 HB2 LEU A 155 6.376 -9.123 20.366 1.00 72.05 H new ATOM 0 HB3 LEU A 155 4.766 -8.469 20.141 1.00 72.05 H new ATOM 0 HG LEU A 155 6.130 -10.524 18.367 1.00 72.24 H new ATOM 0 HD11 LEU A 155 4.382 -12.044 19.217 1.00 23.31 H new ATOM 0 HD12 LEU A 155 5.413 -11.423 20.528 1.00 23.31 H new ATOM 0 HD13 LEU A 155 3.783 -10.751 20.283 1.00 23.31 H new ATOM 0 HD21 LEU A 155 3.969 -10.682 17.191 1.00 43.31 H new ATOM 0 HD22 LEU A 155 3.345 -9.329 18.163 1.00 43.31 H new ATOM 0 HD23 LEU A 155 4.693 -9.064 17.032 1.00 43.31 H new ATOM 2633 N GLU A 156 6.325 -5.293 18.972 1.00 3.31 N ATOM 2634 CA GLU A 156 6.584 -4.009 19.628 1.00 20.41 C ATOM 2635 C GLU A 156 5.445 -3.615 20.589 1.00 73.42 C ATOM 2636 O GLU A 156 4.269 -3.900 20.340 1.00 31.03 O ATOM 2637 CB GLU A 156 6.770 -2.917 18.557 1.00 62.22 C ATOM 2638 CG GLU A 156 7.850 -1.884 18.873 1.00 25.15 C ATOM 2639 CD GLU A 156 7.589 -1.079 20.140 1.00 71.35 C ATOM 2640 OE1 GLU A 156 6.817 -0.100 20.089 1.00 42.32 O ATOM 2641 OE2 GLU A 156 8.166 -1.415 21.193 1.00 30.55 O ATOM 0 H GLU A 156 6.048 -5.212 17.994 1.00 3.31 H new ATOM 0 HA GLU A 156 7.493 -4.109 20.222 1.00 20.41 H new ATOM 0 HB2 GLU A 156 7.012 -3.396 17.609 1.00 62.22 H new ATOM 0 HB3 GLU A 156 5.821 -2.399 18.419 1.00 62.22 H new ATOM 0 HG2 GLU A 156 8.808 -2.394 18.970 1.00 25.15 H new ATOM 0 HG3 GLU A 156 7.939 -1.198 18.031 1.00 25.15 H new ATOM 2648 N HIS A 157 5.817 -2.967 21.692 1.00 42.24 N ATOM 2649 CA HIS A 157 4.856 -2.411 22.651 1.00 61.22 C ATOM 2650 C HIS A 157 5.558 -1.468 23.650 1.00 2.24 C ATOM 2651 O HIS A 157 5.457 -1.631 24.871 1.00 50.21 O ATOM 2652 CB HIS A 157 4.094 -3.532 23.381 1.00 23.22 C ATOM 2653 CG HIS A 157 4.969 -4.596 23.970 1.00 54.24 C ATOM 2654 ND1 HIS A 157 5.517 -4.506 25.227 1.00 60.11 N ATOM 2655 CD2 HIS A 157 5.376 -5.790 23.472 1.00 10.54 C ATOM 2656 CE1 HIS A 157 6.219 -5.591 25.479 1.00 74.35 C ATOM 2657 NE2 HIS A 157 6.151 -6.386 24.433 1.00 74.11 N ATOM 0 H HIS A 157 6.792 -2.811 21.948 1.00 42.24 H new ATOM 0 HA HIS A 157 4.126 -1.822 22.095 1.00 61.22 H new ATOM 0 HB2 HIS A 157 3.496 -3.089 24.177 1.00 23.22 H new ATOM 0 HB3 HIS A 157 3.399 -3.997 22.682 1.00 23.22 H new ATOM 0 HD1 HIS A 157 5.398 -3.720 25.866 1.00 60.11 H new ATOM 0 HD2 HIS A 157 5.135 -6.195 22.500 1.00 10.54 H new ATOM 0 HE1 HIS A 157 6.760 -5.794 26.391 1.00 74.35 H new ATOM 2666 N HIS A 158 6.294 -0.490 23.109 1.00 21.23 N ATOM 2667 CA HIS A 158 6.956 0.551 23.913 1.00 62.44 C ATOM 2668 C HIS A 158 6.858 1.927 23.230 1.00 33.20 C ATOM 2669 O HIS A 158 6.118 2.802 23.683 1.00 63.05 O ATOM 2670 CB HIS A 158 8.433 0.207 24.151 1.00 10.24 C ATOM 2671 CG HIS A 158 8.653 -0.960 25.061 1.00 50.10 C ATOM 2672 ND1 HIS A 158 9.194 -2.155 24.640 1.00 5.42 N ATOM 2673 CD2 HIS A 158 8.427 -1.101 26.388 1.00 13.50 C ATOM 2674 CE1 HIS A 158 9.289 -2.978 25.663 1.00 13.33 C ATOM 2675 NE2 HIS A 158 8.833 -2.364 26.732 1.00 15.32 N ATOM 0 H HIS A 158 6.449 -0.396 22.105 1.00 21.23 H new ATOM 0 HA HIS A 158 6.440 0.594 24.872 1.00 62.44 H new ATOM 0 HB2 HIS A 158 8.905 -0.002 23.191 1.00 10.24 H new ATOM 0 HB3 HIS A 158 8.935 1.079 24.570 1.00 10.24 H new ATOM 0 HD2 HIS A 158 8.006 -0.359 27.050 1.00 13.50 H new ATOM 0 HE1 HIS A 158 9.676 -3.986 25.630 1.00 13.33 H new ATOM 0 HE2 HIS A 158 8.788 -2.764 27.669 1.00 15.32 H new ATOM 2684 N HIS A 159 7.604 2.114 22.134 1.00 52.41 N ATOM 2685 CA HIS A 159 7.591 3.399 21.414 1.00 32.22 C ATOM 2686 C HIS A 159 6.301 3.575 20.597 1.00 35.01 C ATOM 2687 O HIS A 159 6.006 4.668 20.107 1.00 25.54 O ATOM 2688 CB HIS A 159 8.841 3.566 20.532 1.00 62.44 C ATOM 2689 CG HIS A 159 9.152 2.403 19.636 1.00 43.13 C ATOM 2690 ND1 HIS A 159 10.117 1.466 19.937 1.00 24.43 N ATOM 2691 CD2 HIS A 159 8.660 2.049 18.423 1.00 22.35 C ATOM 2692 CE1 HIS A 159 10.208 0.594 18.956 1.00 40.15 C ATOM 2693 NE2 HIS A 159 9.338 0.922 18.023 1.00 25.42 N ATOM 0 H HIS A 159 8.216 1.406 21.729 1.00 52.41 H new ATOM 0 HA HIS A 159 7.613 4.190 22.164 1.00 32.22 H new ATOM 0 HB2 HIS A 159 8.714 4.456 19.915 1.00 62.44 H new ATOM 0 HB3 HIS A 159 9.700 3.746 21.178 1.00 62.44 H new ATOM 0 HD2 HIS A 159 7.881 2.557 17.874 1.00 22.35 H new ATOM 0 HE1 HIS A 159 10.882 -0.249 18.922 1.00 40.15 H new ATOM 0 HE2 HIS A 159 9.191 0.421 17.147 1.00 25.42 H new ATOM 2702 N HIS A 160 5.545 2.494 20.440 1.00 53.34 N ATOM 2703 CA HIS A 160 4.178 2.580 19.932 1.00 5.32 C ATOM 2704 C HIS A 160 3.228 2.898 21.099 1.00 52.35 C ATOM 2705 O HIS A 160 3.063 2.087 22.011 1.00 24.41 O ATOM 2706 CB HIS A 160 3.773 1.264 19.248 1.00 3.20 C ATOM 2707 CG HIS A 160 2.475 1.331 18.490 1.00 44.45 C ATOM 2708 ND1 HIS A 160 2.098 0.380 17.572 1.00 30.43 N ATOM 2709 CD2 HIS A 160 1.464 2.237 18.515 1.00 53.32 C ATOM 2710 CE1 HIS A 160 0.924 0.692 17.069 1.00 1.13 C ATOM 2711 NE2 HIS A 160 0.513 1.813 17.623 1.00 23.52 N ATOM 0 H HIS A 160 5.855 1.547 20.657 1.00 53.34 H new ATOM 0 HA HIS A 160 4.117 3.375 19.189 1.00 5.32 H new ATOM 0 HB2 HIS A 160 4.566 0.967 18.561 1.00 3.20 H new ATOM 0 HB3 HIS A 160 3.698 0.483 20.005 1.00 3.20 H new ATOM 0 HD1 HIS A 160 2.646 -0.443 17.319 1.00 30.43 H new ATOM 0 HD2 HIS A 160 1.418 3.127 19.125 1.00 53.32 H new ATOM 0 HE1 HIS A 160 0.386 0.123 16.325 1.00 1.13 H new ATOM 0 HE2 HIS A 160 -0.367 2.288 17.422 1.00 23.52 H new ATOM 2720 N HIS A 161 2.598 4.070 21.063 1.00 21.01 N ATOM 2721 CA HIS A 161 1.755 4.541 22.174 1.00 24.23 C ATOM 2722 C HIS A 161 0.376 3.834 22.198 1.00 72.54 C ATOM 2723 O HIS A 161 -0.616 4.402 22.653 1.00 5.21 O ATOM 2724 CB HIS A 161 1.581 6.066 22.058 1.00 74.21 C ATOM 2725 CG HIS A 161 1.137 6.732 23.329 1.00 52.04 C ATOM 2726 ND1 HIS A 161 2.017 7.125 24.312 1.00 15.15 N ATOM 2727 CD2 HIS A 161 -0.095 7.085 23.774 1.00 35.31 C ATOM 2728 CE1 HIS A 161 1.353 7.683 25.303 1.00 65.34 C ATOM 2729 NE2 HIS A 161 0.071 7.673 25.002 1.00 62.11 N ATOM 0 H HIS A 161 2.652 4.717 20.276 1.00 21.01 H new ATOM 0 HA HIS A 161 2.251 4.294 23.113 1.00 24.23 H new ATOM 0 HB2 HIS A 161 2.527 6.506 21.742 1.00 74.21 H new ATOM 0 HB3 HIS A 161 0.853 6.279 21.275 1.00 74.21 H new ATOM 0 HD2 HIS A 161 -1.031 6.932 23.258 1.00 35.31 H new ATOM 0 HE1 HIS A 161 1.786 8.081 26.209 1.00 65.34 H new ATOM 0 HE2 HIS A 161 -0.678 8.043 25.588 1.00 62.11 H new ATOM 2738 N HIS A 162 0.336 2.580 21.748 1.00 42.12 N ATOM 2739 CA HIS A 162 -0.917 1.815 21.658 1.00 65.44 C ATOM 2740 C HIS A 162 -0.629 0.313 21.446 1.00 12.50 C ATOM 2741 O HIS A 162 -1.054 -0.510 22.289 1.00 36.71 O ATOM 2742 CB HIS A 162 -1.785 2.361 20.514 1.00 41.44 C ATOM 2743 CG HIS A 162 -3.186 1.823 20.492 1.00 53.21 C ATOM 2744 ND1 HIS A 162 -4.284 2.572 20.861 1.00 23.34 N ATOM 2745 CD2 HIS A 162 -3.670 0.613 20.124 1.00 13.25 C ATOM 2746 CE1 HIS A 162 -5.375 1.850 20.722 1.00 31.41 C ATOM 2747 NE2 HIS A 162 -5.033 0.659 20.279 1.00 65.15 N ATOM 2748 OXT HIS A 162 0.041 -0.032 20.450 1.00 36.71 O ATOM 0 H HIS A 162 1.160 2.066 21.437 1.00 42.12 H new ATOM 0 HA HIS A 162 -1.459 1.926 22.597 1.00 65.44 H new ATOM 0 HB2 HIS A 162 -1.826 3.447 20.591 1.00 41.44 H new ATOM 0 HB3 HIS A 162 -1.303 2.127 19.565 1.00 41.44 H new ATOM 0 HD2 HIS A 162 -3.092 -0.230 19.774 1.00 13.25 H new ATOM 0 HE1 HIS A 162 -6.381 2.179 20.935 1.00 31.41 H new ATOM 0 HE2 HIS A 162 -5.677 -0.107 20.082 1.00 65.15 H new TER 2757 HIS A 162