USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 768 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 60 ASN : amide:sc= -0.338 K(o=-3.6,f=-8.5!) USER MOD Set 1.2: A 61 SER OG : rot 28:sc= -1.35! USER MOD Set 1.3: A 94 GLN : amide:sc= -1.88! K(o=-3.6!,f=-2.9) USER MOD Set 2.1: A 29 GLN : amide:sc= -3.67! C(o=-4.3!,f=-0.63!) USER MOD Set 2.2: A 92 GLN : amide:sc= -0.655 K(o=-4.3,f=-4.9) USER MOD Set 3.1: A 52 CYS SG : rot 82:sc= -4.52! USER MOD Set 3.2: A 59 MET CE :methyl 166:sc=-0.00341 (180deg=-0.424) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc=-0.000611 (180deg=-0.116) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.3) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= 1.12 (180deg=1.06) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -35:sc= 0.153 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0413) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot -135:sc= 1.17 USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 0.894 (180deg=0.223) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -1.06! (180deg=-1.64!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= 0.754 (180deg=-0.229) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -164:sc= -1.95 (180deg=-2.51) USER MOD Single : A 41 THR OG1 : rot -33:sc= 0.562 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.0055) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= -0.0205 (180deg=-0.27) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 0.239 (180deg=-0.461!) USER MOD Single : A 50 SER OG : rot 93:sc= 1.11 USER MOD Single : A 51 TYR OH : rot 24:sc= -2.55 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 55 GLN : amide:sc= -3.46! K(o=-3.5!,f=-0.97) USER MOD Single : A 69 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.99) USER MOD Single : A 74 ASN : amide:sc= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-5.5!) USER MOD Single : A 76 THR OG1 : rot 167:sc= -0.453 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 153:sc= -0.77 (180deg=-2.96) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -101:sc= 0.0693 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.742 -33.159 7.244 1.00 0.00 N ATOM 2 CA MET A 1 1.100 -31.952 8.019 1.00 0.00 C ATOM 3 C MET A 1 0.704 -30.678 7.250 1.00 0.00 C ATOM 4 O MET A 1 1.353 -29.637 7.365 1.00 0.00 O ATOM 5 CB MET A 1 2.613 -31.946 8.297 1.00 0.00 C ATOM 6 CG MET A 1 3.051 -30.952 9.370 1.00 0.00 C ATOM 7 SD MET A 1 4.845 -30.831 9.522 1.00 0.00 S ATOM 8 CE MET A 1 4.991 -29.678 10.888 1.00 0.00 C ATOM 0 H1 MET A 1 1.150 -33.999 7.702 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.293 -33.253 7.207 1.00 0.00 H new ATOM 0 H3 MET A 1 1.117 -33.075 6.278 1.00 0.00 H new ATOM 0 HA MET A 1 0.557 -31.969 8.964 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.919 -32.947 8.600 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.140 -31.718 7.370 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.644 -29.968 9.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.629 -31.251 10.330 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.045 -29.501 11.103 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.511 -28.736 10.622 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.506 -30.096 11.770 1.00 0.00 H new ATOM 18 N SER A 2 -0.382 -30.742 6.489 1.00 0.00 N ATOM 19 CA SER A 2 -0.819 -29.592 5.703 1.00 0.00 C ATOM 20 C SER A 2 -1.956 -28.849 6.397 1.00 0.00 C ATOM 21 O SER A 2 -2.035 -27.622 6.353 1.00 0.00 O ATOM 22 CB SER A 2 -1.250 -30.032 4.302 1.00 0.00 C ATOM 23 OG SER A 2 -0.161 -30.599 3.589 1.00 0.00 O ATOM 0 H SER A 2 -0.972 -31.569 6.399 1.00 0.00 H new ATOM 0 HA SER A 2 0.026 -28.909 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.058 -30.760 4.378 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.643 -29.176 3.753 1.00 0.00 H new ATOM 0 HG SER A 2 -0.461 -30.874 2.698 1.00 0.00 H new ATOM 29 N ASP A 3 -2.819 -29.589 7.066 1.00 0.00 N ATOM 30 CA ASP A 3 -3.971 -29.007 7.755 1.00 0.00 C ATOM 31 C ASP A 3 -3.587 -28.573 9.161 1.00 0.00 C ATOM 32 O ASP A 3 -4.426 -28.527 10.067 1.00 0.00 O ATOM 33 CB ASP A 3 -5.113 -30.032 7.826 1.00 0.00 C ATOM 34 CG ASP A 3 -4.845 -31.169 8.808 1.00 0.00 C ATOM 35 OD1 ASP A 3 -3.700 -31.677 8.855 1.00 0.00 O ATOM 36 OD2 ASP A 3 -5.778 -31.555 9.544 1.00 0.00 O ATOM 0 H ASP A 3 -2.749 -30.603 7.151 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.303 -28.133 7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.032 -29.522 8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.278 -30.450 6.833 1.00 0.00 H new ATOM 41 N GLN A 4 -2.336 -28.198 9.347 1.00 0.00 N ATOM 42 CA GLN A 4 -1.838 -27.864 10.659 1.00 0.00 C ATOM 43 C GLN A 4 -0.580 -27.024 10.560 1.00 0.00 C ATOM 44 O GLN A 4 0.171 -27.106 9.580 1.00 0.00 O ATOM 45 CB GLN A 4 -1.538 -29.140 11.440 1.00 0.00 C ATOM 46 CG GLN A 4 -0.501 -30.018 10.774 1.00 0.00 C ATOM 47 CD GLN A 4 -0.392 -31.369 11.415 1.00 0.00 C ATOM 48 OE1 GLN A 4 0.415 -31.583 12.317 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.213 -32.282 10.963 1.00 0.00 N ATOM 0 H GLN A 4 -1.646 -28.118 8.600 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.603 -27.287 11.179 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.192 -28.874 12.439 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.460 -29.708 11.563 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.755 -30.139 9.721 1.00 0.00 H new ATOM 0 HG3 GLN A 4 0.469 -29.522 10.813 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.865 -32.055 10.212 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.201 -33.221 11.362 1.00 0.00 H new ATOM 58 N GLU A 5 -0.358 -26.217 11.566 1.00 0.00 N ATOM 59 CA GLU A 5 0.820 -25.388 11.677 1.00 0.00 C ATOM 60 C GLU A 5 0.963 -24.961 13.124 1.00 0.00 C ATOM 61 O GLU A 5 -0.013 -24.998 13.883 1.00 0.00 O ATOM 62 CB GLU A 5 0.722 -24.159 10.755 1.00 0.00 C ATOM 63 CG GLU A 5 -0.425 -23.214 11.086 1.00 0.00 C ATOM 64 CD GLU A 5 -0.489 -22.032 10.142 1.00 0.00 C ATOM 65 OE1 GLU A 5 0.331 -21.101 10.290 1.00 0.00 O ATOM 66 OE2 GLU A 5 -1.358 -22.026 9.243 1.00 0.00 O ATOM 0 H GLU A 5 -1.004 -26.114 12.349 1.00 0.00 H new ATOM 0 HA GLU A 5 1.698 -25.954 11.365 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.659 -23.605 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.610 -24.500 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.367 -23.761 11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.312 -22.853 12.108 1.00 0.00 H new ATOM 73 N ALA A 6 2.147 -24.559 13.530 1.00 0.00 N ATOM 74 CA ALA A 6 2.363 -24.161 14.902 1.00 0.00 C ATOM 75 C ALA A 6 3.195 -22.906 14.956 1.00 0.00 C ATOM 76 O ALA A 6 4.304 -22.851 14.412 1.00 0.00 O ATOM 77 CB ALA A 6 3.028 -25.271 15.691 1.00 0.00 C ATOM 0 H ALA A 6 2.971 -24.499 12.932 1.00 0.00 H new ATOM 0 HA ALA A 6 1.393 -23.959 15.355 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.179 -24.946 16.720 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.392 -26.156 15.680 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.991 -25.510 15.241 1.00 0.00 H new ATOM 83 N LYS A 7 2.670 -21.893 15.603 1.00 0.00 N ATOM 84 CA LYS A 7 3.343 -20.614 15.702 1.00 0.00 C ATOM 85 C LYS A 7 2.701 -19.762 16.786 1.00 0.00 C ATOM 86 O LYS A 7 1.511 -19.908 17.068 1.00 0.00 O ATOM 87 CB LYS A 7 3.322 -19.894 14.335 1.00 0.00 C ATOM 88 CG LYS A 7 1.928 -19.723 13.721 1.00 0.00 C ATOM 89 CD LYS A 7 1.274 -18.402 14.119 1.00 0.00 C ATOM 90 CE LYS A 7 2.057 -17.213 13.580 1.00 0.00 C ATOM 91 NZ LYS A 7 1.368 -15.926 13.835 1.00 0.00 N ATOM 0 H LYS A 7 1.767 -21.929 16.076 1.00 0.00 H new ATOM 0 HA LYS A 7 4.384 -20.780 15.980 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.776 -18.910 14.451 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.946 -20.452 13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.004 -19.775 12.635 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.291 -20.550 14.036 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.253 -18.370 13.739 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.212 -18.337 15.205 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.045 -17.192 14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.208 -17.336 12.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.024 -15.139 13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.545 -15.842 13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.050 -15.892 14.825 1.00 0.00 H new ATOM 105 N PRO A 8 3.480 -18.880 17.426 1.00 0.00 N ATOM 106 CA PRO A 8 2.972 -18.009 18.471 1.00 0.00 C ATOM 107 C PRO A 8 2.200 -16.821 17.899 1.00 0.00 C ATOM 108 O PRO A 8 2.315 -16.504 16.707 1.00 0.00 O ATOM 109 CB PRO A 8 4.237 -17.540 19.184 1.00 0.00 C ATOM 110 CG PRO A 8 5.288 -17.559 18.132 1.00 0.00 C ATOM 111 CD PRO A 8 4.922 -18.673 17.184 1.00 0.00 C ATOM 0 HA PRO A 8 2.266 -18.517 19.128 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.110 -16.541 19.600 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.493 -18.200 20.013 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.332 -16.603 17.610 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.272 -17.729 18.569 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.119 -18.398 16.148 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.496 -19.577 17.388 1.00 0.00 H new ATOM 119 N SER A 9 1.441 -16.153 18.764 1.00 0.00 N ATOM 120 CA SER A 9 0.590 -15.025 18.383 1.00 0.00 C ATOM 121 C SER A 9 -0.222 -15.320 17.116 1.00 0.00 C ATOM 122 O SER A 9 0.134 -14.896 16.017 1.00 0.00 O ATOM 123 CB SER A 9 1.424 -13.754 18.209 1.00 0.00 C ATOM 124 OG SER A 9 2.111 -13.431 19.415 1.00 0.00 O ATOM 0 H SER A 9 1.398 -16.380 19.758 1.00 0.00 H new ATOM 0 HA SER A 9 -0.122 -14.867 19.193 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.143 -13.893 17.402 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.777 -12.926 17.921 1.00 0.00 H new ATOM 0 HG SER A 9 2.640 -12.617 19.282 1.00 0.00 H new ATOM 130 N THR A 10 -1.294 -16.068 17.263 1.00 0.00 N ATOM 131 CA THR A 10 -2.134 -16.403 16.131 1.00 0.00 C ATOM 132 C THR A 10 -3.255 -15.375 15.970 1.00 0.00 C ATOM 133 O THR A 10 -3.925 -15.312 14.936 1.00 0.00 O ATOM 134 CB THR A 10 -2.727 -17.832 16.250 1.00 0.00 C ATOM 135 OG1 THR A 10 -3.387 -18.190 15.029 1.00 0.00 O ATOM 136 CG2 THR A 10 -3.713 -17.923 17.409 1.00 0.00 C ATOM 0 H THR A 10 -1.605 -16.456 18.154 1.00 0.00 H new ATOM 0 HA THR A 10 -1.502 -16.382 15.243 1.00 0.00 H new ATOM 0 HB THR A 10 -1.907 -18.524 16.440 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.808 -17.395 14.640 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.112 -18.935 17.468 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.203 -17.679 18.341 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.530 -17.220 17.248 1.00 0.00 H new ATOM 144 N GLU A 11 -3.461 -14.562 16.994 1.00 0.00 N ATOM 145 CA GLU A 11 -4.462 -13.521 16.930 1.00 0.00 C ATOM 146 C GLU A 11 -3.866 -12.279 16.295 1.00 0.00 C ATOM 147 O GLU A 11 -2.659 -12.217 16.044 1.00 0.00 O ATOM 148 CB GLU A 11 -5.039 -13.193 18.323 1.00 0.00 C ATOM 149 CG GLU A 11 -4.009 -12.779 19.369 1.00 0.00 C ATOM 150 CD GLU A 11 -3.292 -13.958 19.984 1.00 0.00 C ATOM 151 OE1 GLU A 11 -3.772 -14.482 21.006 1.00 0.00 O ATOM 152 OE2 GLU A 11 -2.240 -14.365 19.459 1.00 0.00 O ATOM 0 H GLU A 11 -2.948 -14.606 17.874 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.288 -13.882 16.317 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.769 -12.390 18.217 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.577 -14.067 18.691 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.278 -12.115 18.909 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.505 -12.211 20.156 1.00 0.00 H new ATOM 159 N ASP A 12 -4.686 -11.295 16.021 1.00 0.00 N ATOM 160 CA ASP A 12 -4.209 -10.076 15.401 1.00 0.00 C ATOM 161 C ASP A 12 -4.476 -8.899 16.299 1.00 0.00 C ATOM 162 O ASP A 12 -5.612 -8.672 16.723 1.00 0.00 O ATOM 163 CB ASP A 12 -4.892 -9.855 14.058 1.00 0.00 C ATOM 164 CG ASP A 12 -4.289 -8.708 13.275 1.00 0.00 C ATOM 165 OD1 ASP A 12 -3.269 -8.920 12.581 1.00 0.00 O ATOM 166 OD2 ASP A 12 -4.843 -7.591 13.328 1.00 0.00 O ATOM 0 H ASP A 12 -5.687 -11.311 16.216 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.135 -10.173 15.240 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.824 -10.768 13.466 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.952 -9.659 14.222 1.00 0.00 H new ATOM 171 N LEU A 13 -3.451 -8.146 16.603 1.00 0.00 N ATOM 172 CA LEU A 13 -3.598 -6.984 17.441 1.00 0.00 C ATOM 173 C LEU A 13 -2.720 -5.851 16.952 1.00 0.00 C ATOM 174 O LEU A 13 -1.756 -6.067 16.211 1.00 0.00 O ATOM 175 CB LEU A 13 -3.310 -7.325 18.920 1.00 0.00 C ATOM 176 CG LEU A 13 -2.035 -8.139 19.216 1.00 0.00 C ATOM 177 CD1 LEU A 13 -0.780 -7.296 19.044 1.00 0.00 C ATOM 178 CD2 LEU A 13 -2.098 -8.716 20.617 1.00 0.00 C ATOM 0 H LEU A 13 -2.499 -8.318 16.280 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.634 -6.651 17.378 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.252 -6.390 19.478 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.163 -7.878 19.312 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.984 -8.956 18.496 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.099 -7.903 19.261 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.725 -6.931 18.018 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.814 -6.449 19.729 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.192 -9.289 20.816 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.180 -7.905 21.341 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.967 -9.369 20.703 1.00 0.00 H new ATOM 190 N GLY A 14 -3.065 -4.651 17.338 1.00 0.00 N ATOM 191 CA GLY A 14 -2.291 -3.495 16.954 1.00 0.00 C ATOM 192 C GLY A 14 -3.162 -2.317 16.593 1.00 0.00 C ATOM 193 O GLY A 14 -3.060 -1.764 15.497 1.00 0.00 O ATOM 0 H GLY A 14 -3.878 -4.446 17.919 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.628 -3.216 17.773 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.658 -3.750 16.104 1.00 0.00 H new ATOM 197 N ASP A 15 -4.024 -1.917 17.509 1.00 0.00 N ATOM 198 CA ASP A 15 -4.912 -0.789 17.278 1.00 0.00 C ATOM 199 C ASP A 15 -4.383 0.473 17.918 1.00 0.00 C ATOM 200 O ASP A 15 -4.488 0.671 19.127 1.00 0.00 O ATOM 201 CB ASP A 15 -6.325 -1.074 17.783 1.00 0.00 C ATOM 202 CG ASP A 15 -7.138 -1.891 16.809 1.00 0.00 C ATOM 203 OD1 ASP A 15 -7.711 -1.303 15.864 1.00 0.00 O ATOM 204 OD2 ASP A 15 -7.221 -3.120 16.982 1.00 0.00 O ATOM 0 H ASP A 15 -4.130 -2.357 18.423 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.954 -0.639 16.199 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.267 -1.603 18.734 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.835 -0.130 17.974 1.00 0.00 H new ATOM 209 N LYS A 16 -3.795 1.323 17.110 1.00 0.00 N ATOM 210 CA LYS A 16 -3.282 2.597 17.572 1.00 0.00 C ATOM 211 C LYS A 16 -4.207 3.697 17.094 1.00 0.00 C ATOM 212 O LYS A 16 -4.799 3.583 16.025 1.00 0.00 O ATOM 213 CB LYS A 16 -1.848 2.845 17.048 1.00 0.00 C ATOM 214 CG LYS A 16 -0.754 2.013 17.737 1.00 0.00 C ATOM 215 CD LYS A 16 -0.868 0.520 17.432 1.00 0.00 C ATOM 216 CE LYS A 16 -0.522 0.198 15.980 1.00 0.00 C ATOM 217 NZ LYS A 16 0.925 0.365 15.693 1.00 0.00 N ATOM 0 H LYS A 16 -3.657 1.154 16.114 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.240 2.589 18.661 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.826 2.633 15.979 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.610 3.902 17.169 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.225 2.371 17.417 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.812 2.165 18.815 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.203 -0.036 18.094 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.883 0.184 17.645 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.818 -0.827 15.758 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.098 0.846 15.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.133 0.007 14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.176 1.373 15.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.481 -0.168 16.392 1.00 0.00 H new ATOM 231 N LYS A 17 -4.358 4.754 17.876 1.00 0.00 N ATOM 232 CA LYS A 17 -5.233 5.858 17.483 1.00 0.00 C ATOM 233 C LYS A 17 -4.677 6.567 16.249 1.00 0.00 C ATOM 234 O LYS A 17 -3.529 6.358 15.869 1.00 0.00 O ATOM 235 CB LYS A 17 -5.440 6.859 18.641 1.00 0.00 C ATOM 236 CG LYS A 17 -4.365 7.921 18.753 1.00 0.00 C ATOM 237 CD LYS A 17 -3.032 7.331 19.139 1.00 0.00 C ATOM 238 CE LYS A 17 -1.905 8.183 18.625 1.00 0.00 C ATOM 239 NZ LYS A 17 -0.583 7.712 19.114 1.00 0.00 N ATOM 0 H LYS A 17 -3.894 4.875 18.776 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.208 5.438 17.235 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.405 7.349 18.513 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.486 6.306 19.579 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.269 8.443 17.801 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.663 8.662 19.494 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.966 7.248 20.224 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.945 6.322 18.736 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.912 8.175 17.535 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.060 9.216 18.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.166 8.327 18.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.566 7.744 20.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.423 6.735 18.795 1.00 0.00 H new ATOM 253 N GLU A 18 -5.463 7.438 15.657 1.00 0.00 N ATOM 254 CA GLU A 18 -5.051 8.127 14.453 1.00 0.00 C ATOM 255 C GLU A 18 -4.499 9.494 14.812 1.00 0.00 C ATOM 256 O GLU A 18 -4.371 9.824 15.990 1.00 0.00 O ATOM 257 CB GLU A 18 -6.203 8.237 13.427 1.00 0.00 C ATOM 258 CG GLU A 18 -7.535 8.726 13.991 1.00 0.00 C ATOM 259 CD GLU A 18 -8.282 7.647 14.746 1.00 0.00 C ATOM 260 OE1 GLU A 18 -8.908 6.784 14.096 1.00 0.00 O ATOM 261 OE2 GLU A 18 -8.241 7.648 15.990 1.00 0.00 O ATOM 0 H GLU A 18 -6.394 7.687 15.990 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.265 7.542 13.975 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.894 8.914 12.630 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.357 7.258 12.972 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.355 9.571 14.656 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.159 9.090 13.175 1.00 0.00 H new ATOM 268 N GLY A 19 -4.191 10.300 13.825 1.00 0.00 N ATOM 269 CA GLY A 19 -3.600 11.577 14.115 1.00 0.00 C ATOM 270 C GLY A 19 -3.300 12.372 12.878 1.00 0.00 C ATOM 271 O GLY A 19 -4.186 12.983 12.291 1.00 0.00 O ATOM 0 H GLY A 19 -4.337 10.098 12.836 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.274 12.148 14.754 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.679 11.427 14.677 1.00 0.00 H new ATOM 275 N GLU A 20 -2.061 12.337 12.454 1.00 0.00 N ATOM 276 CA GLU A 20 -1.617 13.104 11.306 1.00 0.00 C ATOM 277 C GLU A 20 -1.648 12.267 10.040 1.00 0.00 C ATOM 278 O GLU A 20 -1.081 12.649 9.020 1.00 0.00 O ATOM 279 CB GLU A 20 -0.199 13.621 11.544 1.00 0.00 C ATOM 280 CG GLU A 20 -0.087 14.618 12.681 1.00 0.00 C ATOM 281 CD GLU A 20 -0.853 15.889 12.403 1.00 0.00 C ATOM 282 OE1 GLU A 20 -0.530 16.573 11.410 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.767 16.220 13.183 1.00 0.00 O ATOM 0 H GLU A 20 -1.329 11.778 12.891 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.299 13.945 11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.455 12.774 11.752 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.165 14.088 10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.461 14.164 13.598 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.963 14.858 12.849 1.00 0.00 H new ATOM 290 N TYR A 21 -2.317 11.129 10.085 1.00 0.00 N ATOM 291 CA TYR A 21 -2.354 10.247 8.938 1.00 0.00 C ATOM 292 C TYR A 21 -3.764 9.751 8.618 1.00 0.00 C ATOM 293 O TYR A 21 -4.671 9.811 9.449 1.00 0.00 O ATOM 294 CB TYR A 21 -1.400 9.073 9.138 1.00 0.00 C ATOM 295 CG TYR A 21 -1.678 8.230 10.360 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.552 7.158 10.300 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.046 8.492 11.567 1.00 0.00 C ATOM 298 CE1 TYR A 21 -2.781 6.368 11.401 1.00 0.00 C ATOM 299 CE2 TYR A 21 -1.282 7.708 12.677 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.152 6.643 12.582 1.00 0.00 C ATOM 301 OH TYR A 21 -2.371 5.828 13.665 1.00 0.00 O ATOM 0 H TYR A 21 -2.837 10.798 10.897 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.027 10.831 8.078 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.443 8.434 8.256 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.382 9.458 9.203 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.062 6.939 9.373 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.359 9.322 11.638 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.458 5.530 11.332 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.789 7.927 13.613 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.527 6.377 14.461 1.00 0.00 H new ATOM 311 N ILE A 22 -3.924 9.250 7.401 1.00 0.00 N ATOM 312 CA ILE A 22 -5.193 8.742 6.898 1.00 0.00 C ATOM 313 C ILE A 22 -5.160 7.221 6.797 1.00 0.00 C ATOM 314 O ILE A 22 -4.136 6.586 7.031 1.00 0.00 O ATOM 315 CB ILE A 22 -5.545 9.337 5.515 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.595 8.797 4.446 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.488 10.859 5.568 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.885 9.304 3.049 1.00 0.00 C ATOM 0 H ILE A 22 -3.164 9.184 6.724 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.961 9.047 7.609 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.560 9.039 5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.573 9.066 4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.648 7.708 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.738 11.267 4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.202 11.224 6.306 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.483 11.176 5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.167 8.875 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.894 9.012 2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.802 10.391 3.032 1.00 0.00 H new ATOM 330 N LYS A 23 -6.284 6.635 6.473 1.00 0.00 N ATOM 331 CA LYS A 23 -6.393 5.189 6.384 1.00 0.00 C ATOM 332 C LYS A 23 -6.748 4.774 4.971 1.00 0.00 C ATOM 333 O LYS A 23 -7.549 5.424 4.319 1.00 0.00 O ATOM 334 CB LYS A 23 -7.481 4.705 7.324 1.00 0.00 C ATOM 335 CG LYS A 23 -7.415 5.320 8.708 1.00 0.00 C ATOM 336 CD LYS A 23 -8.708 5.079 9.472 1.00 0.00 C ATOM 337 CE LYS A 23 -9.879 5.801 8.815 1.00 0.00 C ATOM 338 NZ LYS A 23 -11.145 5.605 9.559 1.00 0.00 N ATOM 0 H LYS A 23 -7.147 7.136 6.264 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.435 4.749 6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.453 4.928 6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.413 3.621 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.577 4.894 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.231 6.391 8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.914 4.010 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.596 5.423 10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.658 6.866 8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.000 5.440 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.942 5.589 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.108 4.703 10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.275 6.385 10.234 1.00 0.00 H new ATOM 352 N LEU A 24 -6.135 3.715 4.485 1.00 0.00 N ATOM 353 CA LEU A 24 -6.460 3.196 3.164 1.00 0.00 C ATOM 354 C LEU A 24 -6.602 1.682 3.198 1.00 0.00 C ATOM 355 O LEU A 24 -6.165 1.018 4.149 1.00 0.00 O ATOM 356 CB LEU A 24 -5.412 3.603 2.114 1.00 0.00 C ATOM 357 CG LEU A 24 -5.285 5.102 1.827 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.264 5.737 2.747 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.922 5.343 0.373 1.00 0.00 C ATOM 0 H LEU A 24 -5.410 3.195 4.980 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.414 3.636 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.440 3.234 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.649 3.095 1.179 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.252 5.568 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.189 6.802 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.574 5.601 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.293 5.265 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.837 6.415 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.970 4.861 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.698 4.927 -0.270 1.00 0.00 H new ATOM 371 N LYS A 25 -7.210 1.132 2.166 1.00 0.00 N ATOM 372 CA LYS A 25 -7.408 -0.300 2.073 1.00 0.00 C ATOM 373 C LYS A 25 -7.010 -0.798 0.701 1.00 0.00 C ATOM 374 O LYS A 25 -7.171 -0.106 -0.295 1.00 0.00 O ATOM 375 CB LYS A 25 -8.870 -0.655 2.370 1.00 0.00 C ATOM 376 CG LYS A 25 -9.162 -2.153 2.387 1.00 0.00 C ATOM 377 CD LYS A 25 -9.977 -2.598 1.179 1.00 0.00 C ATOM 378 CE LYS A 25 -11.334 -1.909 1.152 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.300 -2.568 0.234 1.00 0.00 N ATOM 0 H LYS A 25 -7.578 1.660 1.375 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.776 -0.789 2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.145 -0.232 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.506 -0.181 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.222 -2.704 2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.702 -2.405 3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.431 -2.370 0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.115 -3.679 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.749 -1.896 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.202 -0.871 0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.261 -2.227 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.054 -2.340 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.261 -3.598 0.371 1.00 0.00 H new ATOM 393 N VAL A 26 -6.462 -1.983 0.654 1.00 0.00 N ATOM 394 CA VAL A 26 -6.056 -2.576 -0.601 1.00 0.00 C ATOM 395 C VAL A 26 -6.868 -3.811 -0.914 1.00 0.00 C ATOM 396 O VAL A 26 -7.226 -4.580 -0.021 1.00 0.00 O ATOM 397 CB VAL A 26 -4.528 -2.905 -0.597 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.222 -4.247 -1.265 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.766 -1.795 -1.291 1.00 0.00 C ATOM 0 H VAL A 26 -6.284 -2.563 1.474 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.245 -1.844 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.210 -2.982 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.148 -4.431 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.740 -5.045 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.559 -4.223 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.701 -2.027 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.113 -1.703 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.935 -0.855 -0.766 1.00 0.00 H new ATOM 409 N ILE A 27 -7.183 -3.985 -2.183 1.00 0.00 N ATOM 410 CA ILE A 27 -7.864 -5.163 -2.638 1.00 0.00 C ATOM 411 C ILE A 27 -6.857 -6.027 -3.344 1.00 0.00 C ATOM 412 O ILE A 27 -6.339 -5.662 -4.398 1.00 0.00 O ATOM 413 CB ILE A 27 -9.036 -4.841 -3.594 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.098 -4.005 -2.871 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.650 -6.132 -4.143 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.694 -4.696 -1.669 1.00 0.00 C ATOM 0 H ILE A 27 -6.971 -3.311 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.296 -5.671 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.651 -4.261 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.653 -3.062 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.896 -3.761 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.473 -5.887 -4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.891 -6.692 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.023 -6.737 -3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.437 -4.046 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.169 -5.626 -1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.907 -4.916 -0.948 1.00 0.00 H new ATOM 428 N GLY A 28 -6.559 -7.159 -2.768 1.00 0.00 N ATOM 429 CA GLY A 28 -5.557 -8.007 -3.319 1.00 0.00 C ATOM 430 C GLY A 28 -6.059 -8.811 -4.482 1.00 0.00 C ATOM 431 O GLY A 28 -7.252 -8.851 -4.765 1.00 0.00 O ATOM 0 H GLY A 28 -7.000 -7.509 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.709 -7.401 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.192 -8.682 -2.545 1.00 0.00 H new ATOM 435 N GLN A 29 -5.146 -9.484 -5.135 1.00 0.00 N ATOM 436 CA GLN A 29 -5.444 -10.325 -6.265 1.00 0.00 C ATOM 437 C GLN A 29 -6.259 -11.526 -5.806 1.00 0.00 C ATOM 438 O GLN A 29 -6.979 -12.155 -6.582 1.00 0.00 O ATOM 439 CB GLN A 29 -4.146 -10.798 -6.963 1.00 0.00 C ATOM 440 CG GLN A 29 -2.798 -10.316 -6.351 1.00 0.00 C ATOM 441 CD GLN A 29 -2.572 -10.728 -4.893 1.00 0.00 C ATOM 442 OE1 GLN A 29 -2.236 -11.865 -4.609 1.00 0.00 O ATOM 443 NE2 GLN A 29 -2.650 -9.765 -3.976 1.00 0.00 N ATOM 0 H GLN A 29 -4.156 -9.462 -4.891 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.022 -9.746 -6.985 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.144 -11.888 -6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.182 -10.472 -8.002 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.980 -10.707 -6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.752 -9.229 -6.418 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.935 -8.824 -4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.425 -9.969 -3.002 1.00 0.00 H new ATOM 452 N ASP A 30 -6.135 -11.838 -4.527 1.00 0.00 N ATOM 453 CA ASP A 30 -6.882 -12.919 -3.916 1.00 0.00 C ATOM 454 C ASP A 30 -8.111 -12.348 -3.205 1.00 0.00 C ATOM 455 O ASP A 30 -8.777 -13.026 -2.432 1.00 0.00 O ATOM 456 CB ASP A 30 -5.984 -13.677 -2.922 1.00 0.00 C ATOM 457 CG ASP A 30 -6.586 -14.992 -2.464 1.00 0.00 C ATOM 458 OD1 ASP A 30 -6.676 -15.923 -3.291 1.00 0.00 O ATOM 459 OD2 ASP A 30 -6.965 -15.103 -1.282 1.00 0.00 O ATOM 0 H ASP A 30 -5.513 -11.347 -3.885 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.212 -13.618 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.017 -13.869 -3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.800 -13.046 -2.053 1.00 0.00 H new ATOM 464 N SER A 31 -8.402 -11.065 -3.492 1.00 0.00 N ATOM 465 CA SER A 31 -9.530 -10.333 -2.891 1.00 0.00 C ATOM 466 C SER A 31 -9.268 -10.051 -1.413 1.00 0.00 C ATOM 467 O SER A 31 -10.170 -9.704 -0.653 1.00 0.00 O ATOM 468 CB SER A 31 -10.854 -11.084 -3.090 1.00 0.00 C ATOM 469 OG SER A 31 -11.124 -11.272 -4.473 1.00 0.00 O ATOM 0 H SER A 31 -7.858 -10.506 -4.150 1.00 0.00 H new ATOM 0 HA SER A 31 -9.619 -9.376 -3.405 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.808 -12.051 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.668 -10.524 -2.629 1.00 0.00 H new ATOM 0 HG SER A 31 -11.971 -11.754 -4.578 1.00 0.00 H new ATOM 475 N SER A 32 -8.014 -10.194 -1.022 1.00 0.00 N ATOM 476 CA SER A 32 -7.586 -9.945 0.336 1.00 0.00 C ATOM 477 C SER A 32 -7.620 -8.449 0.623 1.00 0.00 C ATOM 478 O SER A 32 -6.911 -7.669 -0.015 1.00 0.00 O ATOM 479 CB SER A 32 -6.164 -10.491 0.535 1.00 0.00 C ATOM 480 OG SER A 32 -5.770 -10.436 1.893 1.00 0.00 O ATOM 0 H SER A 32 -7.262 -10.488 -1.645 1.00 0.00 H new ATOM 0 HA SER A 32 -8.261 -10.450 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.117 -11.522 0.183 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.464 -9.915 -0.071 1.00 0.00 H new ATOM 0 HG SER A 32 -4.862 -10.792 1.985 1.00 0.00 H new ATOM 486 N GLU A 33 -8.463 -8.038 1.551 1.00 0.00 N ATOM 487 CA GLU A 33 -8.561 -6.642 1.909 1.00 0.00 C ATOM 488 C GLU A 33 -7.587 -6.324 3.015 1.00 0.00 C ATOM 489 O GLU A 33 -7.758 -6.749 4.158 1.00 0.00 O ATOM 490 CB GLU A 33 -9.975 -6.282 2.350 1.00 0.00 C ATOM 491 CG GLU A 33 -11.051 -6.660 1.348 1.00 0.00 C ATOM 492 CD GLU A 33 -12.402 -6.082 1.702 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.085 -6.642 2.590 1.00 0.00 O ATOM 494 OE2 GLU A 33 -12.794 -5.059 1.095 1.00 0.00 O ATOM 0 H GLU A 33 -9.089 -8.654 2.069 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.318 -6.051 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.186 -6.777 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.025 -5.209 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.759 -6.311 0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.127 -7.746 1.294 1.00 0.00 H new ATOM 501 N ILE A 34 -6.555 -5.598 2.684 1.00 0.00 N ATOM 502 CA ILE A 34 -5.562 -5.218 3.656 1.00 0.00 C ATOM 503 C ILE A 34 -5.860 -3.815 4.141 1.00 0.00 C ATOM 504 O ILE A 34 -6.230 -2.945 3.349 1.00 0.00 O ATOM 505 CB ILE A 34 -4.136 -5.264 3.049 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.877 -6.627 2.381 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.088 -4.989 4.122 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.898 -7.799 3.342 1.00 0.00 C ATOM 0 H ILE A 34 -6.377 -5.254 1.740 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.599 -5.923 4.486 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.062 -4.487 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.629 -6.790 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.909 -6.597 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.094 -5.025 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.257 -4.002 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.163 -5.743 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.708 -8.722 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.127 -7.661 4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.874 -7.858 3.823 1.00 0.00 H new ATOM 520 N HIS A 35 -5.718 -3.580 5.429 1.00 0.00 N ATOM 521 CA HIS A 35 -6.011 -2.279 6.003 1.00 0.00 C ATOM 522 C HIS A 35 -4.753 -1.692 6.587 1.00 0.00 C ATOM 523 O HIS A 35 -4.044 -2.347 7.348 1.00 0.00 O ATOM 524 CB HIS A 35 -7.083 -2.383 7.099 1.00 0.00 C ATOM 525 CG HIS A 35 -8.469 -2.656 6.601 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.597 -2.153 7.214 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.914 -3.391 5.554 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.667 -2.566 6.569 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.282 -3.318 5.559 1.00 0.00 N ATOM 0 H HIS A 35 -5.400 -4.276 6.103 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.392 -1.635 5.211 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.799 -3.176 7.791 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.093 -1.452 7.667 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.304 -3.934 4.847 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.689 -2.328 6.825 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.902 -3.773 4.889 1.00 0.00 H new ATOM 538 N PHE A 36 -4.462 -0.468 6.232 1.00 0.00 N ATOM 539 CA PHE A 36 -3.275 0.201 6.708 1.00 0.00 C ATOM 540 C PHE A 36 -3.526 1.679 6.865 1.00 0.00 C ATOM 541 O PHE A 36 -4.440 2.244 6.262 1.00 0.00 O ATOM 542 CB PHE A 36 -2.102 -0.047 5.760 1.00 0.00 C ATOM 543 CG PHE A 36 -2.526 -0.143 4.334 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.836 0.989 3.612 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.640 -1.373 3.725 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.247 0.889 2.306 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.053 -1.474 2.425 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.357 -0.341 1.716 1.00 0.00 C ATOM 0 H PHE A 36 -5.039 0.094 5.606 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.019 -0.209 7.685 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.377 0.760 5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.596 -0.969 6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.755 1.961 4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.401 -2.268 4.280 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.483 1.781 1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.139 -2.444 1.958 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.684 -0.419 0.690 1.00 0.00 H new ATOM 558 N LYS A 37 -2.727 2.307 7.678 1.00 0.00 N ATOM 559 CA LYS A 37 -2.880 3.710 7.937 1.00 0.00 C ATOM 560 C LYS A 37 -1.578 4.447 7.680 1.00 0.00 C ATOM 561 O LYS A 37 -0.567 4.206 8.341 1.00 0.00 O ATOM 562 CB LYS A 37 -3.392 3.922 9.360 1.00 0.00 C ATOM 563 CG LYS A 37 -4.675 3.144 9.649 1.00 0.00 C ATOM 564 CD LYS A 37 -5.282 3.476 11.005 1.00 0.00 C ATOM 565 CE LYS A 37 -4.391 3.042 12.153 1.00 0.00 C ATOM 566 NZ LYS A 37 -5.134 3.025 13.437 1.00 0.00 N ATOM 0 H LYS A 37 -1.955 1.865 8.178 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.620 4.126 7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.621 3.618 10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.572 4.985 9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.406 3.357 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.463 2.076 9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.458 4.550 11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.253 2.988 11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.990 2.049 11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.540 3.719 12.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.544 3.441 14.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.009 3.578 13.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.371 2.044 13.688 1.00 0.00 H new ATOM 580 N VAL A 38 -1.600 5.342 6.699 1.00 0.00 N ATOM 581 CA VAL A 38 -0.409 6.080 6.287 1.00 0.00 C ATOM 582 C VAL A 38 -0.721 7.567 6.153 1.00 0.00 C ATOM 583 O VAL A 38 -1.878 7.965 6.082 1.00 0.00 O ATOM 584 CB VAL A 38 0.158 5.556 4.935 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.434 4.060 5.001 1.00 0.00 C ATOM 586 CG2 VAL A 38 -0.786 5.877 3.786 1.00 0.00 C ATOM 0 H VAL A 38 -2.439 5.577 6.168 1.00 0.00 H new ATOM 0 HA VAL A 38 0.344 5.927 7.061 1.00 0.00 H new ATOM 0 HB VAL A 38 1.103 6.067 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.829 3.720 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.163 3.859 5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.492 3.529 5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.366 5.500 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.752 5.405 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.918 6.957 3.714 1.00 0.00 H new ATOM 596 N LYS A 39 0.303 8.393 6.111 1.00 0.00 N ATOM 597 CA LYS A 39 0.103 9.827 6.022 1.00 0.00 C ATOM 598 C LYS A 39 -0.069 10.278 4.570 1.00 0.00 C ATOM 599 O LYS A 39 0.328 9.581 3.640 1.00 0.00 O ATOM 600 CB LYS A 39 1.256 10.567 6.688 1.00 0.00 C ATOM 601 CG LYS A 39 1.004 12.043 6.838 1.00 0.00 C ATOM 602 CD LYS A 39 2.082 12.717 7.633 1.00 0.00 C ATOM 603 CE LYS A 39 1.736 14.169 7.873 1.00 0.00 C ATOM 604 NZ LYS A 39 2.740 14.846 8.728 1.00 0.00 N ATOM 0 H LYS A 39 1.279 8.099 6.137 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.818 10.072 6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.437 10.134 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.163 10.417 6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.940 12.502 5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.042 12.199 7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.212 12.206 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.031 12.647 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.666 14.688 6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.755 14.235 8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.464 15.839 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.790 14.368 9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.671 14.807 8.267 1.00 0.00 H new ATOM 618 N MET A 40 -0.647 11.458 4.375 1.00 0.00 N ATOM 619 CA MET A 40 -0.915 11.979 3.039 1.00 0.00 C ATOM 620 C MET A 40 0.360 12.376 2.312 1.00 0.00 C ATOM 621 O MET A 40 0.487 12.184 1.103 1.00 0.00 O ATOM 622 CB MET A 40 -1.862 13.178 3.108 1.00 0.00 C ATOM 623 CG MET A 40 -3.287 12.824 3.488 1.00 0.00 C ATOM 624 SD MET A 40 -4.461 13.192 2.171 1.00 0.00 S ATOM 625 CE MET A 40 -3.793 12.192 0.845 1.00 0.00 C ATOM 0 H MET A 40 -0.941 12.076 5.131 1.00 0.00 H new ATOM 0 HA MET A 40 -1.386 11.175 2.474 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.472 13.894 3.832 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.870 13.677 2.139 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.342 11.764 3.734 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.568 13.374 4.386 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.220 12.515 -0.105 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.709 12.306 0.814 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.043 11.145 1.018 1.00 0.00 H new ATOM 635 N THR A 41 1.307 12.925 3.043 1.00 0.00 N ATOM 636 CA THR A 41 2.550 13.389 2.456 1.00 0.00 C ATOM 637 C THR A 41 3.618 12.286 2.453 1.00 0.00 C ATOM 638 O THR A 41 4.783 12.537 2.132 1.00 0.00 O ATOM 639 CB THR A 41 3.088 14.632 3.217 1.00 0.00 C ATOM 640 OG1 THR A 41 4.190 15.219 2.509 1.00 0.00 O ATOM 641 CG2 THR A 41 3.537 14.253 4.621 1.00 0.00 C ATOM 0 H THR A 41 1.240 13.062 4.052 1.00 0.00 H new ATOM 0 HA THR A 41 2.336 13.665 1.423 1.00 0.00 H new ATOM 0 HB THR A 41 2.277 15.357 3.286 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.697 14.516 2.052 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.910 15.139 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.693 13.841 5.174 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.330 13.508 4.561 1.00 0.00 H new ATOM 649 N THR A 42 3.232 11.065 2.783 1.00 0.00 N ATOM 650 CA THR A 42 4.198 9.988 2.831 1.00 0.00 C ATOM 651 C THR A 42 4.258 9.270 1.485 1.00 0.00 C ATOM 652 O THR A 42 3.405 9.473 0.620 1.00 0.00 O ATOM 653 CB THR A 42 3.898 8.976 3.973 1.00 0.00 C ATOM 654 OG1 THR A 42 5.120 8.359 4.404 1.00 0.00 O ATOM 655 CG2 THR A 42 2.927 7.892 3.513 1.00 0.00 C ATOM 0 H THR A 42 2.275 10.800 3.017 1.00 0.00 H new ATOM 0 HA THR A 42 5.169 10.434 3.044 1.00 0.00 H new ATOM 0 HB THR A 42 3.441 9.524 4.797 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.929 7.723 5.125 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.738 7.201 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.989 8.352 3.202 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.360 7.348 2.673 1.00 0.00 H new ATOM 663 N HIS A 43 5.262 8.436 1.302 1.00 0.00 N ATOM 664 CA HIS A 43 5.422 7.717 0.059 1.00 0.00 C ATOM 665 C HIS A 43 4.658 6.406 0.070 1.00 0.00 C ATOM 666 O HIS A 43 4.603 5.702 1.078 1.00 0.00 O ATOM 667 CB HIS A 43 6.895 7.465 -0.247 1.00 0.00 C ATOM 668 CG HIS A 43 7.627 8.673 -0.732 1.00 0.00 C ATOM 669 ND1 HIS A 43 8.962 8.904 -0.483 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.207 9.705 -1.488 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.327 10.027 -1.067 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.279 10.532 -1.684 1.00 0.00 N ATOM 0 H HIS A 43 5.979 8.241 2.001 1.00 0.00 H new ATOM 0 HA HIS A 43 5.007 8.345 -0.729 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.384 7.092 0.653 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.971 6.680 -0.999 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.208 9.853 -1.870 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.316 10.459 -1.044 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.268 11.399 -2.221 1.00 0.00 H new ATOM 681 N LEU A 44 4.075 6.077 -1.068 1.00 0.00 N ATOM 682 CA LEU A 44 3.301 4.856 -1.244 1.00 0.00 C ATOM 683 C LEU A 44 4.174 3.622 -1.124 1.00 0.00 C ATOM 684 O LEU A 44 3.675 2.530 -0.895 1.00 0.00 O ATOM 685 CB LEU A 44 2.622 4.863 -2.615 1.00 0.00 C ATOM 686 CG LEU A 44 1.094 4.978 -2.628 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.453 3.711 -2.098 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.635 6.173 -1.827 1.00 0.00 C ATOM 0 H LEU A 44 4.125 6.655 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 44 2.549 4.823 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.030 5.693 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.898 3.946 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 44 0.779 5.117 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.632 3.817 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.746 2.867 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.783 3.537 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.453 6.232 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.969 6.069 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.057 7.082 -2.255 1.00 0.00 H new ATOM 700 N LYS A 45 5.487 3.793 -1.281 1.00 0.00 N ATOM 701 CA LYS A 45 6.426 2.674 -1.205 1.00 0.00 C ATOM 702 C LYS A 45 6.222 1.843 0.052 1.00 0.00 C ATOM 703 O LYS A 45 6.097 0.624 -0.021 1.00 0.00 O ATOM 704 CB LYS A 45 7.872 3.156 -1.290 1.00 0.00 C ATOM 705 CG LYS A 45 8.181 4.375 -0.447 1.00 0.00 C ATOM 706 CD LYS A 45 9.568 4.302 0.166 1.00 0.00 C ATOM 707 CE LYS A 45 10.622 4.031 -0.889 1.00 0.00 C ATOM 708 NZ LYS A 45 11.997 4.157 -0.351 1.00 0.00 N ATOM 0 H LYS A 45 5.924 4.697 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 45 6.221 2.035 -2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.531 2.343 -0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.105 3.382 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.103 5.271 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.438 4.466 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.793 5.239 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.594 3.515 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.482 3.028 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.492 4.728 -1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.685 3.963 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.142 5.122 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.131 3.475 0.422 1.00 0.00 H new ATOM 722 N LYS A 46 6.148 2.502 1.207 1.00 0.00 N ATOM 723 CA LYS A 46 5.979 1.799 2.468 1.00 0.00 C ATOM 724 C LYS A 46 4.613 1.143 2.553 1.00 0.00 C ATOM 725 O LYS A 46 4.454 0.121 3.175 1.00 0.00 O ATOM 726 CB LYS A 46 6.250 2.734 3.667 1.00 0.00 C ATOM 727 CG LYS A 46 5.431 4.027 3.685 1.00 0.00 C ATOM 728 CD LYS A 46 4.057 3.844 4.324 1.00 0.00 C ATOM 729 CE LYS A 46 4.158 3.565 5.822 1.00 0.00 C ATOM 730 NZ LYS A 46 4.770 4.699 6.562 1.00 0.00 N ATOM 0 H LYS A 46 6.203 3.517 1.291 1.00 0.00 H new ATOM 0 HA LYS A 46 6.719 1.000 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.052 2.185 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.309 2.994 3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.982 4.794 4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.307 4.388 2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.459 4.740 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.536 3.020 3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.163 3.367 6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.751 2.665 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.592 4.585 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.795 4.713 6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.351 5.593 6.235 1.00 0.00 H new ATOM 744 N LEU A 47 3.637 1.726 1.901 1.00 0.00 N ATOM 745 CA LEU A 47 2.296 1.175 1.876 1.00 0.00 C ATOM 746 C LEU A 47 2.280 -0.098 1.029 1.00 0.00 C ATOM 747 O LEU A 47 1.755 -1.137 1.442 1.00 0.00 O ATOM 748 CB LEU A 47 1.332 2.236 1.312 1.00 0.00 C ATOM 749 CG LEU A 47 -0.169 1.905 1.300 1.00 0.00 C ATOM 750 CD1 LEU A 47 -0.980 3.189 1.195 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.520 0.978 0.136 1.00 0.00 C ATOM 0 H LEU A 47 3.745 2.592 1.373 1.00 0.00 H new ATOM 0 HA LEU A 47 1.974 0.911 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.469 3.152 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.635 2.454 0.288 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.411 1.393 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.043 2.948 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.759 3.829 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.719 3.710 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.588 0.761 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.263 1.463 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.041 0.048 0.230 1.00 0.00 H new ATOM 763 N LYS A 48 2.874 -0.011 -0.154 1.00 0.00 N ATOM 764 CA LYS A 48 2.943 -1.130 -1.087 1.00 0.00 C ATOM 765 C LYS A 48 3.652 -2.331 -0.459 1.00 0.00 C ATOM 766 O LYS A 48 3.176 -3.459 -0.538 1.00 0.00 O ATOM 767 CB LYS A 48 3.667 -0.703 -2.368 1.00 0.00 C ATOM 768 CG LYS A 48 3.016 0.474 -3.082 1.00 0.00 C ATOM 769 CD LYS A 48 4.045 1.304 -3.845 1.00 0.00 C ATOM 770 CE LYS A 48 4.653 0.531 -4.989 1.00 0.00 C ATOM 771 NZ LYS A 48 5.883 1.165 -5.506 1.00 0.00 N ATOM 0 H LYS A 48 3.323 0.839 -0.495 1.00 0.00 H new ATOM 0 HA LYS A 48 1.924 -1.429 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.696 -0.442 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.708 -1.552 -3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.258 0.107 -3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.505 1.105 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.571 2.207 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.833 1.623 -3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.881 -0.482 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.924 0.447 -5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.457 0.455 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.629 1.929 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.430 1.559 -4.714 1.00 0.00 H new ATOM 785 N GLU A 49 4.776 -2.082 0.189 1.00 0.00 N ATOM 786 CA GLU A 49 5.544 -3.158 0.817 1.00 0.00 C ATOM 787 C GLU A 49 4.826 -3.680 2.059 1.00 0.00 C ATOM 788 O GLU A 49 4.905 -4.864 2.394 1.00 0.00 O ATOM 789 CB GLU A 49 6.980 -2.700 1.148 1.00 0.00 C ATOM 790 CG GLU A 49 7.072 -1.423 1.973 1.00 0.00 C ATOM 791 CD GLU A 49 7.421 -1.667 3.423 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.625 -1.818 3.728 1.00 0.00 O ATOM 793 OE2 GLU A 49 6.502 -1.698 4.272 1.00 0.00 O ATOM 0 H GLU A 49 5.181 -1.152 0.297 1.00 0.00 H new ATOM 0 HA GLU A 49 5.621 -3.979 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.486 -3.501 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.523 -2.552 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.823 -0.768 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.119 -0.896 1.920 1.00 0.00 H new ATOM 800 N SER A 50 4.090 -2.801 2.714 1.00 0.00 N ATOM 801 CA SER A 50 3.359 -3.152 3.909 1.00 0.00 C ATOM 802 C SER A 50 2.196 -4.104 3.614 1.00 0.00 C ATOM 803 O SER A 50 2.004 -5.109 4.315 1.00 0.00 O ATOM 804 CB SER A 50 2.876 -1.885 4.610 1.00 0.00 C ATOM 805 OG SER A 50 3.924 -1.305 5.366 1.00 0.00 O ATOM 0 H SER A 50 3.985 -1.827 2.430 1.00 0.00 H new ATOM 0 HA SER A 50 4.035 -3.688 4.575 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.514 -1.170 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.036 -2.122 5.264 1.00 0.00 H new ATOM 0 HG SER A 50 4.391 -0.638 4.820 1.00 0.00 H new ATOM 811 N TYR A 51 1.433 -3.833 2.567 1.00 0.00 N ATOM 812 CA TYR A 51 0.307 -4.692 2.262 1.00 0.00 C ATOM 813 C TYR A 51 0.795 -6.004 1.657 1.00 0.00 C ATOM 814 O TYR A 51 0.212 -7.063 1.888 1.00 0.00 O ATOM 815 CB TYR A 51 -0.732 -3.990 1.355 1.00 0.00 C ATOM 816 CG TYR A 51 -0.466 -4.069 -0.136 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.831 -5.195 -0.858 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.124 -3.021 -0.818 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.611 -5.278 -2.211 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.351 -3.097 -2.183 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.020 -4.226 -2.869 1.00 0.00 C ATOM 822 OH TYR A 51 0.203 -4.305 -4.220 1.00 0.00 O ATOM 0 H TYR A 51 1.569 -3.047 1.931 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.208 -4.917 3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.712 -4.424 1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.785 -2.939 1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.298 -6.024 -0.346 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.412 -2.130 -0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.901 -6.165 -2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.817 -2.273 -2.703 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.421 -4.947 -4.618 1.00 0.00 H new ATOM 832 N CYS A 52 1.891 -5.936 0.894 1.00 0.00 N ATOM 833 CA CYS A 52 2.472 -7.122 0.284 1.00 0.00 C ATOM 834 C CYS A 52 2.866 -8.140 1.337 1.00 0.00 C ATOM 835 O CYS A 52 2.533 -9.327 1.228 1.00 0.00 O ATOM 836 CB CYS A 52 3.680 -6.761 -0.582 1.00 0.00 C ATOM 837 SG CYS A 52 3.262 -5.886 -2.103 1.00 0.00 S ATOM 0 H CYS A 52 2.389 -5.070 0.688 1.00 0.00 H new ATOM 0 HA CYS A 52 1.711 -7.567 -0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.362 -6.144 0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.216 -7.675 -0.837 1.00 0.00 H new ATOM 0 HG CYS A 52 3.090 -4.624 -1.844 1.00 0.00 H new ATOM 843 N GLN A 53 3.542 -7.683 2.386 1.00 0.00 N ATOM 844 CA GLN A 53 3.975 -8.587 3.434 1.00 0.00 C ATOM 845 C GLN A 53 2.783 -9.132 4.210 1.00 0.00 C ATOM 846 O GLN A 53 2.815 -10.259 4.687 1.00 0.00 O ATOM 847 CB GLN A 53 4.987 -7.937 4.391 1.00 0.00 C ATOM 848 CG GLN A 53 4.449 -6.752 5.167 1.00 0.00 C ATOM 849 CD GLN A 53 5.290 -6.420 6.384 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.497 -6.665 6.412 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.657 -5.863 7.396 1.00 0.00 N ATOM 0 H GLN A 53 3.797 -6.706 2.528 1.00 0.00 H new ATOM 0 HA GLN A 53 4.484 -9.416 2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.334 -8.690 5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.855 -7.615 3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.407 -5.882 4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.427 -6.963 5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.656 -5.677 7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.168 -5.618 8.244 1.00 0.00 H new ATOM 860 N ARG A 54 1.720 -8.323 4.352 1.00 0.00 N ATOM 861 CA ARG A 54 0.503 -8.773 5.039 1.00 0.00 C ATOM 862 C ARG A 54 -0.107 -9.989 4.361 1.00 0.00 C ATOM 863 O ARG A 54 -0.671 -10.865 5.016 1.00 0.00 O ATOM 864 CB ARG A 54 -0.521 -7.641 5.094 1.00 0.00 C ATOM 865 CG ARG A 54 -0.193 -6.546 6.099 1.00 0.00 C ATOM 866 CD ARG A 54 -0.612 -6.935 7.511 1.00 0.00 C ATOM 867 NE ARG A 54 0.139 -8.081 8.042 1.00 0.00 N ATOM 868 CZ ARG A 54 -0.328 -8.903 8.988 1.00 0.00 C ATOM 869 NH1 ARG A 54 -1.537 -8.710 9.499 1.00 0.00 N ATOM 870 NH2 ARG A 54 0.414 -9.915 9.423 1.00 0.00 N ATOM 0 H ARG A 54 1.680 -7.365 4.004 1.00 0.00 H new ATOM 0 HA ARG A 54 0.783 -9.059 6.053 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.605 -7.195 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.497 -8.061 5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.878 -6.343 6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.697 -5.624 5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.474 -6.080 8.173 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.676 -7.172 7.515 1.00 0.00 H new ATOM 0 HE ARG A 54 1.071 -8.260 7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.112 -7.934 9.170 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.892 -9.338 10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.345 -10.068 9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.053 -10.539 10.145 1.00 0.00 H new ATOM 884 N GLN A 55 0.002 -10.043 3.048 1.00 0.00 N ATOM 885 CA GLN A 55 -0.522 -11.165 2.283 1.00 0.00 C ATOM 886 C GLN A 55 0.460 -12.324 2.308 1.00 0.00 C ATOM 887 O GLN A 55 0.099 -13.475 2.064 1.00 0.00 O ATOM 888 CB GLN A 55 -0.772 -10.743 0.845 1.00 0.00 C ATOM 889 CG GLN A 55 -1.890 -9.731 0.682 1.00 0.00 C ATOM 890 CD GLN A 55 -1.651 -8.790 -0.480 1.00 0.00 C ATOM 891 OE1 GLN A 55 -2.586 -8.370 -1.163 1.00 0.00 O ATOM 892 NE2 GLN A 55 -0.400 -8.427 -0.691 1.00 0.00 N ATOM 0 H GLN A 55 0.450 -9.321 2.484 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.462 -11.484 2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.147 -10.322 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.008 -11.628 0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.833 -10.256 0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.989 -9.152 1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.345 -8.799 -0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.178 -7.775 -1.443 1.00 0.00 H new ATOM 901 N GLY A 56 1.708 -12.014 2.607 1.00 0.00 N ATOM 902 CA GLY A 56 2.735 -13.026 2.663 1.00 0.00 C ATOM 903 C GLY A 56 3.282 -13.354 1.294 1.00 0.00 C ATOM 904 O GLY A 56 3.732 -14.471 1.045 1.00 0.00 O ATOM 0 H GLY A 56 2.030 -11.069 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.547 -12.684 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.329 -13.930 3.117 1.00 0.00 H new ATOM 908 N VAL A 57 3.250 -12.381 0.394 1.00 0.00 N ATOM 909 CA VAL A 57 3.734 -12.580 -0.962 1.00 0.00 C ATOM 910 C VAL A 57 4.670 -11.448 -1.373 1.00 0.00 C ATOM 911 O VAL A 57 4.498 -10.303 -0.943 1.00 0.00 O ATOM 912 CB VAL A 57 2.569 -12.683 -1.991 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.661 -13.862 -1.673 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.769 -11.388 -2.039 1.00 0.00 C ATOM 0 H VAL A 57 2.893 -11.444 0.581 1.00 0.00 H new ATOM 0 HA VAL A 57 4.277 -13.525 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 57 3.008 -12.849 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.857 -13.910 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.239 -14.786 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.236 -13.736 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.962 -11.486 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.349 -11.183 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.423 -10.567 -2.332 1.00 0.00 H new ATOM 924 N PRO A 58 5.689 -11.758 -2.186 1.00 0.00 N ATOM 925 CA PRO A 58 6.635 -10.758 -2.676 1.00 0.00 C ATOM 926 C PRO A 58 5.966 -9.726 -3.590 1.00 0.00 C ATOM 927 O PRO A 58 4.995 -10.027 -4.300 1.00 0.00 O ATOM 928 CB PRO A 58 7.668 -11.576 -3.454 1.00 0.00 C ATOM 929 CG PRO A 58 6.985 -12.858 -3.780 1.00 0.00 C ATOM 930 CD PRO A 58 6.010 -13.111 -2.671 1.00 0.00 C ATOM 0 HA PRO A 58 7.069 -10.180 -1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.982 -11.056 -4.359 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.564 -11.748 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.473 -12.792 -4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.705 -13.673 -3.858 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.121 -13.632 -3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.446 -13.727 -1.885 1.00 0.00 H new ATOM 938 N MET A 59 6.508 -8.515 -3.593 1.00 0.00 N ATOM 939 CA MET A 59 5.965 -7.397 -4.375 1.00 0.00 C ATOM 940 C MET A 59 6.087 -7.642 -5.877 1.00 0.00 C ATOM 941 O MET A 59 5.463 -6.957 -6.684 1.00 0.00 O ATOM 942 CB MET A 59 6.695 -6.100 -4.014 1.00 0.00 C ATOM 943 CG MET A 59 6.721 -5.800 -2.526 1.00 0.00 C ATOM 944 SD MET A 59 7.634 -4.296 -2.132 1.00 0.00 S ATOM 945 CE MET A 59 6.508 -3.058 -2.762 1.00 0.00 C ATOM 0 H MET A 59 7.339 -8.273 -3.054 1.00 0.00 H new ATOM 0 HA MET A 59 4.907 -7.311 -4.129 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.720 -6.158 -4.381 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.217 -5.269 -4.533 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.698 -5.705 -2.161 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.170 -6.641 -1.998 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.796 -2.078 -2.382 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.547 -3.051 -3.851 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.494 -3.290 -2.437 1.00 0.00 H new ATOM 955 N ASN A 60 6.879 -8.630 -6.253 1.00 0.00 N ATOM 956 CA ASN A 60 7.106 -8.944 -7.657 1.00 0.00 C ATOM 957 C ASN A 60 6.010 -9.844 -8.195 1.00 0.00 C ATOM 958 O ASN A 60 5.884 -10.050 -9.390 1.00 0.00 O ATOM 959 CB ASN A 60 8.487 -9.611 -7.843 1.00 0.00 C ATOM 960 CG ASN A 60 8.662 -10.905 -7.033 1.00 0.00 C ATOM 961 OD1 ASN A 60 7.722 -11.683 -6.844 1.00 0.00 O ATOM 962 ND2 ASN A 60 9.862 -11.125 -6.535 1.00 0.00 N ATOM 0 H ASN A 60 7.380 -9.234 -5.602 1.00 0.00 H new ATOM 0 HA ASN A 60 7.088 -8.011 -8.220 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.635 -9.832 -8.900 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.264 -8.904 -7.554 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.036 -11.959 -5.974 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.617 -10.461 -6.711 1.00 0.00 H new ATOM 969 N SER A 61 5.222 -10.392 -7.305 1.00 0.00 N ATOM 970 CA SER A 61 4.170 -11.297 -7.678 1.00 0.00 C ATOM 971 C SER A 61 2.870 -10.574 -8.001 1.00 0.00 C ATOM 972 O SER A 61 1.998 -11.114 -8.689 1.00 0.00 O ATOM 973 CB SER A 61 3.946 -12.288 -6.553 1.00 0.00 C ATOM 974 OG SER A 61 5.105 -13.069 -6.339 1.00 0.00 O ATOM 0 H SER A 61 5.293 -10.222 -6.302 1.00 0.00 H new ATOM 0 HA SER A 61 4.480 -11.815 -8.585 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.686 -11.755 -5.638 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.104 -12.936 -6.795 1.00 0.00 H new ATOM 0 HG SER A 61 5.898 -12.558 -6.607 1.00 0.00 H new ATOM 980 N LEU A 62 2.722 -9.362 -7.530 1.00 0.00 N ATOM 981 CA LEU A 62 1.481 -8.645 -7.730 1.00 0.00 C ATOM 982 C LEU A 62 1.670 -7.263 -8.350 1.00 0.00 C ATOM 983 O LEU A 62 2.785 -6.773 -8.494 1.00 0.00 O ATOM 984 CB LEU A 62 0.696 -8.580 -6.420 1.00 0.00 C ATOM 985 CG LEU A 62 1.515 -8.289 -5.166 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.998 -6.849 -5.145 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.710 -8.613 -3.925 1.00 0.00 C ATOM 0 H LEU A 62 3.436 -8.852 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 62 0.900 -9.207 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.071 -7.811 -6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.180 -9.530 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 62 2.398 -8.928 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.578 -6.673 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.623 -6.662 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.140 -6.177 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.307 -8.400 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.194 -8.004 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.437 -9.668 -3.934 1.00 0.00 H new ATOM 999 N ARG A 63 0.555 -6.645 -8.701 1.00 0.00 N ATOM 1000 CA ARG A 63 0.541 -5.347 -9.357 1.00 0.00 C ATOM 1001 C ARG A 63 -0.271 -4.353 -8.552 1.00 0.00 C ATOM 1002 O ARG A 63 -1.445 -4.574 -8.281 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.043 -5.464 -10.770 1.00 0.00 C ATOM 1004 CG ARG A 63 0.772 -6.335 -11.700 1.00 0.00 C ATOM 1005 CD ARG A 63 0.175 -6.385 -13.098 1.00 0.00 C ATOM 1006 NE ARG A 63 -0.840 -7.438 -13.238 1.00 0.00 N ATOM 1007 CZ ARG A 63 -1.911 -7.357 -14.035 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -2.195 -6.225 -14.663 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -2.711 -8.408 -14.178 1.00 0.00 N ATOM 0 H ARG A 63 -0.374 -7.033 -8.538 1.00 0.00 H new ATOM 0 HA ARG A 63 1.569 -4.993 -9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.053 -5.867 -10.703 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.126 -4.467 -11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.792 -5.954 -11.754 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.830 -7.345 -11.294 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.273 -5.419 -13.333 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.971 -6.553 -13.824 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.720 -8.290 -12.690 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.595 -5.409 -14.540 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.013 -6.170 -15.269 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.508 -9.275 -13.680 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.528 -8.348 -14.785 1.00 0.00 H new ATOM 1023 N PHE A 64 0.352 -3.262 -8.171 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.307 -2.218 -7.401 1.00 0.00 C ATOM 1025 C PHE A 64 -0.611 -0.998 -8.269 1.00 0.00 C ATOM 1026 O PHE A 64 0.297 -0.359 -8.817 1.00 0.00 O ATOM 1027 CB PHE A 64 0.553 -1.818 -6.187 1.00 0.00 C ATOM 1028 CG PHE A 64 2.040 -2.023 -6.385 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.727 -1.350 -7.384 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.747 -2.898 -5.569 1.00 0.00 C ATOM 1031 CE1 PHE A 64 4.079 -1.545 -7.570 1.00 0.00 C ATOM 1032 CE2 PHE A 64 4.102 -3.095 -5.749 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.769 -2.420 -6.752 1.00 0.00 C ATOM 0 H PHE A 64 1.331 -3.068 -8.383 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.255 -2.616 -7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.370 -0.769 -5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.230 -2.396 -5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.195 -0.663 -8.026 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.230 -3.431 -4.784 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.599 -1.015 -8.354 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.639 -3.776 -5.106 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.828 -2.575 -6.897 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.885 -0.669 -8.402 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.289 0.473 -9.194 1.00 0.00 C ATOM 1045 C LEU A 65 -3.527 1.145 -8.597 1.00 0.00 C ATOM 1046 O LEU A 65 -4.228 0.573 -7.767 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.505 0.080 -10.694 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.787 -0.694 -11.081 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.030 -1.866 -10.164 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.001 0.229 -11.140 1.00 0.00 C ATOM 0 H LEU A 65 -2.655 -1.179 -7.970 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.479 1.202 -9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.482 0.997 -11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.650 -0.520 -11.005 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.631 -1.095 -12.083 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.939 -2.384 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.185 -2.553 -10.220 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.141 -1.510 -9.140 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.884 -0.348 -11.415 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.157 0.688 -10.164 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.830 1.007 -11.884 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.796 2.350 -9.034 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.938 3.104 -8.571 1.00 0.00 C ATOM 1064 C PHE A 66 -5.509 3.885 -9.724 1.00 0.00 C ATOM 1065 O PHE A 66 -4.763 4.477 -10.482 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.537 4.053 -7.445 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.646 4.943 -6.981 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.648 4.446 -6.181 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.678 6.279 -7.341 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.667 5.259 -5.742 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.696 7.102 -6.908 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.693 6.591 -6.106 1.00 0.00 C ATOM 0 H PHE A 66 -3.227 2.839 -9.725 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.688 2.415 -8.183 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.176 3.467 -6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.705 4.671 -7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.635 3.405 -5.894 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.897 6.682 -7.968 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.447 4.856 -5.113 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.712 8.143 -7.196 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.493 7.230 -5.763 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.840 3.862 -9.867 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.568 4.555 -10.957 1.00 0.00 C ATOM 1084 C GLU A 67 -6.976 4.243 -12.345 1.00 0.00 C ATOM 1085 O GLU A 67 -7.130 5.017 -13.296 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.648 6.086 -10.731 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.335 6.821 -10.904 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.516 8.295 -11.178 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.880 9.043 -10.245 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.298 8.718 -12.331 1.00 0.00 O ATOM 0 H GLU A 67 -7.455 3.359 -9.227 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.585 4.162 -10.933 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.377 6.504 -11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.023 6.272 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.733 6.696 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.778 6.370 -11.725 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.353 3.085 -12.479 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.736 2.711 -13.735 1.00 0.00 C ATOM 1099 C GLY A 68 -4.322 3.250 -13.903 1.00 0.00 C ATOM 1100 O GLY A 68 -3.825 3.355 -15.019 1.00 0.00 O ATOM 0 H GLY A 68 -6.262 2.392 -11.736 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.713 1.624 -13.809 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.354 3.074 -14.556 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.667 3.585 -12.805 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.302 4.106 -12.858 1.00 0.00 C ATOM 1106 C GLN A 69 -1.415 3.308 -11.912 1.00 0.00 C ATOM 1107 O GLN A 69 -1.813 3.007 -10.788 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.270 5.597 -12.461 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.978 5.834 -10.982 1.00 0.00 C ATOM 1110 CD GLN A 69 -2.140 7.268 -10.556 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -1.210 8.064 -10.649 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.300 7.590 -10.041 1.00 0.00 N ATOM 0 H GLN A 69 -4.053 3.508 -11.864 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.933 4.010 -13.879 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.513 6.106 -13.057 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.230 6.050 -12.710 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.643 5.210 -10.385 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.959 5.513 -10.766 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.044 6.894 -9.985 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.460 8.537 -9.696 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.237 2.928 -12.362 1.00 0.00 N ATOM 1122 CA ARG A 70 0.703 2.208 -11.513 1.00 0.00 C ATOM 1123 C ARG A 70 1.162 3.072 -10.350 1.00 0.00 C ATOM 1124 O ARG A 70 1.310 4.299 -10.468 1.00 0.00 O ATOM 1125 CB ARG A 70 1.925 1.707 -12.323 1.00 0.00 C ATOM 1126 CG ARG A 70 2.944 2.789 -12.717 1.00 0.00 C ATOM 1127 CD ARG A 70 2.341 3.854 -13.626 1.00 0.00 C ATOM 1128 NE ARG A 70 1.804 3.284 -14.864 1.00 0.00 N ATOM 1129 CZ ARG A 70 1.138 3.978 -15.794 1.00 0.00 C ATOM 1130 NH1 ARG A 70 0.936 5.284 -15.644 1.00 0.00 N ATOM 1131 NH2 ARG A 70 0.685 3.365 -16.876 1.00 0.00 N ATOM 0 H ARG A 70 0.097 3.103 -13.310 1.00 0.00 H new ATOM 0 HA ARG A 70 0.180 1.339 -11.113 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.439 0.944 -11.738 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.564 1.224 -13.231 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.333 3.263 -11.816 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.789 2.321 -13.222 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.546 4.376 -13.094 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.102 4.595 -13.869 1.00 0.00 H new ATOM 0 HE ARG A 70 1.948 2.288 -15.029 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.290 5.763 -14.816 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.427 5.807 -16.357 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.844 2.365 -17.000 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.177 3.892 -17.586 1.00 0.00 H new ATOM 1145 N ILE A 71 1.377 2.451 -9.221 1.00 0.00 N ATOM 1146 CA ILE A 71 1.821 3.166 -8.057 1.00 0.00 C ATOM 1147 C ILE A 71 3.328 3.054 -7.919 1.00 0.00 C ATOM 1148 O ILE A 71 3.871 1.966 -7.752 1.00 0.00 O ATOM 1149 CB ILE A 71 1.160 2.638 -6.767 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.357 2.492 -6.940 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.471 3.563 -5.615 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.050 3.742 -7.450 1.00 0.00 C ATOM 0 H ILE A 71 1.251 1.448 -9.084 1.00 0.00 H new ATOM 0 HA ILE A 71 1.530 4.208 -8.190 1.00 0.00 H new ATOM 0 HB ILE A 71 1.568 1.650 -6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.555 1.673 -7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.795 2.213 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.001 3.184 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.550 3.614 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.086 4.559 -5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.119 3.553 -7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.886 4.560 -6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.643 4.012 -8.424 1.00 0.00 H new ATOM 1164 N ALA A 72 4.008 4.176 -7.977 1.00 0.00 N ATOM 1165 CA ALA A 72 5.440 4.191 -7.862 1.00 0.00 C ATOM 1166 C ALA A 72 5.827 4.331 -6.407 1.00 0.00 C ATOM 1167 O ALA A 72 5.010 4.719 -5.573 1.00 0.00 O ATOM 1168 CB ALA A 72 6.022 5.331 -8.681 1.00 0.00 C ATOM 0 H ALA A 72 3.584 5.095 -8.104 1.00 0.00 H new ATOM 0 HA ALA A 72 5.843 3.255 -8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.108 5.331 -8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.750 5.202 -9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.626 6.279 -8.318 1.00 0.00 H new ATOM 1174 N ASP A 73 7.061 4.011 -6.092 1.00 0.00 N ATOM 1175 CA ASP A 73 7.561 4.122 -4.724 1.00 0.00 C ATOM 1176 C ASP A 73 7.589 5.571 -4.291 1.00 0.00 C ATOM 1177 O ASP A 73 7.490 5.892 -3.109 1.00 0.00 O ATOM 1178 CB ASP A 73 8.961 3.507 -4.617 1.00 0.00 C ATOM 1179 CG ASP A 73 8.942 2.006 -4.789 1.00 0.00 C ATOM 1180 OD1 ASP A 73 8.114 1.342 -4.128 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.745 1.478 -5.589 1.00 0.00 O ATOM 0 H ASP A 73 7.748 3.669 -6.764 1.00 0.00 H new ATOM 0 HA ASP A 73 6.889 3.574 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.609 3.949 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.391 3.754 -3.646 1.00 0.00 H new ATOM 1186 N ASN A 74 7.691 6.453 -5.257 1.00 0.00 N ATOM 1187 CA ASN A 74 7.745 7.873 -4.984 1.00 0.00 C ATOM 1188 C ASN A 74 6.380 8.486 -5.150 1.00 0.00 C ATOM 1189 O ASN A 74 6.220 9.704 -5.121 1.00 0.00 O ATOM 1190 CB ASN A 74 8.727 8.562 -5.921 1.00 0.00 C ATOM 1191 CG ASN A 74 10.014 7.804 -6.040 1.00 0.00 C ATOM 1192 OD1 ASN A 74 10.948 8.019 -5.274 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.073 6.909 -7.003 1.00 0.00 N ATOM 0 H ASN A 74 7.739 6.211 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 74 8.081 8.010 -3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.275 8.666 -6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.931 9.569 -5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.922 6.359 -7.137 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.270 6.765 -7.616 1.00 0.00 H new ATOM 1200 N HIS A 75 5.376 7.648 -5.314 1.00 0.00 N ATOM 1201 CA HIS A 75 4.024 8.148 -5.465 1.00 0.00 C ATOM 1202 C HIS A 75 3.425 8.387 -4.106 1.00 0.00 C ATOM 1203 O HIS A 75 3.677 7.638 -3.180 1.00 0.00 O ATOM 1204 CB HIS A 75 3.150 7.194 -6.283 1.00 0.00 C ATOM 1205 CG HIS A 75 3.051 7.571 -7.731 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.310 6.859 -8.658 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.599 8.602 -8.411 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.416 7.439 -9.838 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.191 8.497 -9.713 1.00 0.00 N ATOM 0 H HIS A 75 5.467 6.633 -5.346 1.00 0.00 H new ATOM 0 HA HIS A 75 4.066 9.088 -6.015 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.555 6.185 -6.205 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.149 7.170 -5.852 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.241 9.368 -8.002 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.947 7.104 -10.751 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.446 9.136 -10.466 1.00 0.00 H new ATOM 1218 N THR A 76 2.673 9.445 -3.966 1.00 0.00 N ATOM 1219 CA THR A 76 2.053 9.761 -2.692 1.00 0.00 C ATOM 1220 C THR A 76 0.544 9.762 -2.824 1.00 0.00 C ATOM 1221 O THR A 76 0.012 9.976 -3.921 1.00 0.00 O ATOM 1222 CB THR A 76 2.516 11.137 -2.161 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.101 12.163 -3.050 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.020 11.182 -2.030 1.00 0.00 C ATOM 0 H THR A 76 2.470 10.108 -4.714 1.00 0.00 H new ATOM 0 HA THR A 76 2.361 8.993 -1.983 1.00 0.00 H new ATOM 0 HB THR A 76 2.067 11.290 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.208 13.035 -2.616 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.323 12.159 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.348 10.409 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.475 11.010 -3.005 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.174 9.516 -1.717 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.631 9.494 -1.721 1.00 0.00 C ATOM 1234 C PRO A 77 -2.208 10.835 -2.162 1.00 0.00 C ATOM 1235 O PRO A 77 -3.169 10.893 -2.915 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.999 9.212 -0.257 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.776 8.624 0.351 1.00 0.00 C ATOM 1238 CD PRO A 77 0.380 9.230 -0.379 1.00 0.00 C ATOM 0 HA PRO A 77 -2.029 8.754 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.293 10.127 0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.841 8.524 -0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.724 8.847 1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.774 7.539 0.252 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.735 10.137 0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.226 8.545 -0.432 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.592 11.917 -1.719 1.00 0.00 N ATOM 1247 CA LYS A 78 -2.068 13.256 -2.044 1.00 0.00 C ATOM 1248 C LYS A 78 -1.865 13.569 -3.525 1.00 0.00 C ATOM 1249 O LYS A 78 -2.716 14.184 -4.164 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.349 14.300 -1.193 1.00 0.00 C ATOM 1251 CG LYS A 78 0.141 14.307 -1.416 1.00 0.00 C ATOM 1252 CD LYS A 78 0.774 15.594 -0.974 1.00 0.00 C ATOM 1253 CE LYS A 78 2.144 15.725 -1.588 1.00 0.00 C ATOM 1254 NZ LYS A 78 2.800 16.996 -1.214 1.00 0.00 N ATOM 0 H LYS A 78 -0.758 11.897 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.136 13.290 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.751 15.287 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.554 14.108 -0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.592 13.477 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.349 14.146 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.150 16.437 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.849 15.619 0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.766 14.889 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.062 15.665 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.739 17.045 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.220 17.795 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.902 17.043 -0.180 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.744 13.125 -4.078 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.428 13.394 -5.464 1.00 0.00 C ATOM 1270 C GLU A 79 -1.306 12.575 -6.387 1.00 0.00 C ATOM 1271 O GLU A 79 -1.673 13.020 -7.468 1.00 0.00 O ATOM 1272 CB GLU A 79 1.036 13.104 -5.750 1.00 0.00 C ATOM 1273 CG GLU A 79 1.998 14.173 -5.248 1.00 0.00 C ATOM 1274 CD GLU A 79 1.921 15.459 -6.031 1.00 0.00 C ATOM 1275 OE1 GLU A 79 1.087 16.314 -5.699 1.00 0.00 O ATOM 1276 OE2 GLU A 79 2.705 15.623 -6.977 1.00 0.00 O ATOM 0 H GLU A 79 -0.041 12.577 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.618 14.451 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.301 12.150 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.168 12.990 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.785 14.381 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.016 13.787 -5.296 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.651 11.363 -5.965 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.500 10.508 -6.783 1.00 0.00 C ATOM 1285 C LEU A 80 -3.977 10.827 -6.559 1.00 0.00 C ATOM 1286 O LEU A 80 -4.861 10.178 -7.115 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.229 9.019 -6.513 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.766 8.556 -6.624 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.690 7.074 -6.932 1.00 0.00 C ATOM 1290 CD2 LEU A 80 -0.007 9.354 -7.664 1.00 0.00 C ATOM 0 H LEU A 80 -1.361 10.956 -5.076 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.255 10.712 -7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.586 8.784 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.826 8.432 -7.210 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.294 8.733 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.354 6.771 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.176 6.511 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.194 6.873 -7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.022 8.999 -7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.482 9.229 -8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.014 10.409 -7.390 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.238 11.822 -5.723 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.606 12.256 -5.478 1.00 0.00 C ATOM 1304 C GLY A 81 -6.388 11.287 -4.614 1.00 0.00 C ATOM 1305 O GLY A 81 -7.566 11.008 -4.870 1.00 0.00 O ATOM 0 H GLY A 81 -3.527 12.340 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.591 13.233 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.119 12.379 -6.432 1.00 0.00 H new ATOM 1309 N MET A 82 -5.745 10.766 -3.595 1.00 0.00 N ATOM 1310 CA MET A 82 -6.374 9.845 -2.672 1.00 0.00 C ATOM 1311 C MET A 82 -6.780 10.594 -1.418 1.00 0.00 C ATOM 1312 O MET A 82 -6.327 11.718 -1.181 1.00 0.00 O ATOM 1313 CB MET A 82 -5.400 8.730 -2.294 1.00 0.00 C ATOM 1314 CG MET A 82 -4.934 7.878 -3.458 1.00 0.00 C ATOM 1315 SD MET A 82 -3.623 6.734 -2.979 1.00 0.00 S ATOM 1316 CE MET A 82 -3.250 5.972 -4.549 1.00 0.00 C ATOM 0 H MET A 82 -4.769 10.968 -3.381 1.00 0.00 H new ATOM 0 HA MET A 82 -7.251 9.408 -3.149 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.528 9.174 -1.814 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.876 8.084 -1.556 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.778 7.315 -3.856 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.576 8.524 -4.259 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.215 5.631 -4.551 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.913 5.121 -4.707 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.394 6.698 -5.349 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.624 9.993 -0.616 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.054 10.607 0.623 1.00 0.00 C ATOM 1328 C GLU A 83 -8.236 9.546 1.696 1.00 0.00 C ATOM 1329 O GLU A 83 -7.847 8.392 1.511 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.356 11.385 0.415 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.529 10.531 -0.038 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.820 11.311 -0.066 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -12.400 11.538 1.013 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.258 11.712 -1.167 1.00 0.00 O ATOM 0 H GLU A 83 -8.030 9.075 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.285 11.308 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.622 11.881 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.184 12.167 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.325 10.133 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.636 9.678 0.632 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.812 9.930 2.822 1.00 0.00 N ATOM 1342 CA GLU A 84 -9.055 8.994 3.902 1.00 0.00 C ATOM 1343 C GLU A 84 -10.049 7.925 3.464 1.00 0.00 C ATOM 1344 O GLU A 84 -10.986 8.206 2.709 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.589 9.719 5.140 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.946 10.375 4.930 1.00 0.00 C ATOM 1347 CD GLU A 84 -11.504 10.975 6.192 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -11.152 12.128 6.516 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -12.307 10.301 6.869 1.00 0.00 O ATOM 0 H GLU A 84 -9.120 10.884 3.011 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.107 8.519 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.663 9.008 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.870 10.481 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.855 11.153 4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.647 9.635 4.544 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.810 6.692 3.898 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.697 5.551 3.632 1.00 0.00 C ATOM 1358 C GLU A 85 -10.608 5.073 2.172 1.00 0.00 C ATOM 1359 O GLU A 85 -11.311 4.142 1.770 1.00 0.00 O ATOM 1360 CB GLU A 85 -12.147 5.886 3.997 1.00 0.00 C ATOM 1361 CG GLU A 85 -12.800 4.863 4.894 1.00 0.00 C ATOM 1362 CD GLU A 85 -12.179 4.825 6.271 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -12.526 5.687 7.111 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -11.346 3.936 6.527 1.00 0.00 O ATOM 0 H GLU A 85 -8.988 6.448 4.451 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.356 4.732 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.173 6.858 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.731 5.978 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.863 5.088 4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.720 3.878 4.435 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.752 5.717 1.381 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.578 5.364 -0.042 1.00 0.00 C ATOM 1373 C ASP A 86 -9.071 3.935 -0.206 1.00 0.00 C ATOM 1374 O ASP A 86 -8.522 3.336 0.726 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.618 6.329 -0.734 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.022 6.624 -2.164 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.080 5.688 -2.979 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -9.298 7.809 -2.471 1.00 0.00 O ATOM 0 H ASP A 86 -9.163 6.489 1.695 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.559 5.441 -0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.578 7.262 -0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.613 5.907 -0.724 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.246 3.386 -1.387 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.868 2.018 -1.657 1.00 0.00 C ATOM 1385 C VAL A 87 -7.988 1.915 -2.907 1.00 0.00 C ATOM 1386 O VAL A 87 -8.173 2.640 -3.883 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.129 1.129 -1.833 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -10.993 1.636 -2.981 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.747 -0.329 -2.046 1.00 0.00 C ATOM 0 H VAL A 87 -9.653 3.874 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.293 1.664 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.713 1.191 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.870 0.998 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.310 2.658 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.417 1.615 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.650 -0.928 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.131 -0.417 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.186 -0.688 -1.183 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.033 1.008 -2.871 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.137 0.786 -3.986 1.00 0.00 C ATOM 1401 C ILE A 88 -6.398 -0.602 -4.574 1.00 0.00 C ATOM 1402 O ILE A 88 -6.828 -1.518 -3.860 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.647 0.918 -3.550 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.439 2.212 -2.762 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.713 0.881 -4.749 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.466 2.022 -1.262 1.00 0.00 C ATOM 0 H ILE A 88 -6.857 0.404 -2.068 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.327 1.547 -4.743 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.409 0.067 -2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.482 2.650 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.213 2.926 -3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.681 0.975 -4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.836 -0.065 -5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.951 1.706 -5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.312 2.983 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.432 1.613 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.674 1.333 -0.968 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.133 -0.770 -5.859 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.414 -2.026 -6.536 1.00 0.00 C ATOM 1420 C GLU A 89 -5.126 -2.803 -6.773 1.00 0.00 C ATOM 1421 O GLU A 89 -4.095 -2.228 -7.130 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.118 -1.763 -7.870 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.457 -3.024 -8.644 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.552 -3.836 -7.996 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -8.317 -4.408 -6.922 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -9.662 -3.920 -8.576 1.00 0.00 O ATOM 0 H GLU A 89 -5.723 -0.051 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.070 -2.621 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.036 -1.206 -7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.481 -1.129 -8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.763 -2.753 -9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.562 -3.639 -8.736 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.163 -4.097 -6.534 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.003 -4.934 -6.744 1.00 0.00 C ATOM 1435 C VAL A 90 -4.339 -6.150 -7.607 1.00 0.00 C ATOM 1436 O VAL A 90 -5.312 -6.857 -7.361 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.424 -5.409 -5.394 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.226 -6.329 -5.601 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.042 -4.215 -4.540 1.00 0.00 C ATOM 0 H VAL A 90 -5.987 -4.592 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.260 -4.332 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.194 -5.980 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.840 -6.647 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.534 -7.204 -6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.447 -5.795 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.635 -4.562 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.292 -3.620 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.925 -3.603 -4.354 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.508 -6.403 -8.602 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.679 -7.542 -9.493 1.00 0.00 C ATOM 1451 C TYR A 91 -2.512 -8.495 -9.308 1.00 0.00 C ATOM 1452 O TYR A 91 -1.613 -8.236 -8.518 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.733 -7.096 -10.956 1.00 0.00 C ATOM 1454 CG TYR A 91 -4.991 -6.366 -11.358 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -5.128 -5.007 -11.139 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -6.033 -7.037 -11.982 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -6.266 -4.334 -11.530 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -7.177 -6.370 -12.371 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.285 -5.018 -12.142 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.415 -4.343 -12.534 1.00 0.00 O ATOM 0 H TYR A 91 -2.695 -5.826 -8.817 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.620 -8.035 -9.247 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.878 -6.450 -11.154 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.623 -7.975 -11.592 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.330 -4.464 -10.654 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.948 -8.098 -12.166 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.355 -3.272 -11.355 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.982 -6.906 -12.852 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.042 -4.969 -12.953 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.515 -9.591 -10.027 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.435 -10.554 -9.950 1.00 0.00 C ATOM 1472 C GLN A 92 -0.586 -10.464 -11.215 1.00 0.00 C ATOM 1473 O GLN A 92 -1.107 -10.184 -12.297 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.006 -11.970 -9.822 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.042 -12.982 -9.227 1.00 0.00 C ATOM 1476 CD GLN A 92 -0.962 -12.881 -7.716 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.710 -13.539 -7.006 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.061 -12.057 -7.218 1.00 0.00 N ATOM 0 H GLN A 92 -3.258 -9.843 -10.678 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.821 -10.335 -9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.903 -11.933 -9.203 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.314 -12.316 -10.809 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.357 -13.988 -9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.050 -12.829 -9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.545 -11.525 -7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.030 -11.951 -6.208 1.00 0.00 H new ATOM 1487 N GLU A 93 0.718 -10.656 -11.088 1.00 0.00 N ATOM 1488 CA GLU A 93 1.596 -10.669 -12.254 1.00 0.00 C ATOM 1489 C GLU A 93 2.523 -11.875 -12.216 1.00 0.00 C ATOM 1490 O GLU A 93 3.542 -11.916 -12.906 1.00 0.00 O ATOM 1491 CB GLU A 93 2.407 -9.375 -12.376 1.00 0.00 C ATOM 1492 CG GLU A 93 3.325 -9.083 -11.203 1.00 0.00 C ATOM 1493 CD GLU A 93 4.338 -8.007 -11.533 1.00 0.00 C ATOM 1494 OE1 GLU A 93 4.041 -6.818 -11.324 1.00 0.00 O ATOM 1495 OE2 GLU A 93 5.435 -8.345 -12.030 1.00 0.00 O ATOM 0 H GLU A 93 1.192 -10.804 -10.197 1.00 0.00 H new ATOM 0 HA GLU A 93 0.959 -10.741 -13.136 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.007 -9.424 -13.285 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.716 -8.540 -12.495 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.730 -8.770 -10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.846 -9.996 -10.914 1.00 0.00 H new ATOM 1502 N GLN A 94 2.163 -12.865 -11.393 1.00 0.00 N ATOM 1503 CA GLN A 94 2.922 -14.116 -11.293 1.00 0.00 C ATOM 1504 C GLN A 94 2.921 -14.863 -12.634 1.00 0.00 C ATOM 1505 O GLN A 94 2.482 -14.330 -13.662 1.00 0.00 O ATOM 1506 CB GLN A 94 2.342 -15.003 -10.184 1.00 0.00 C ATOM 1507 CG GLN A 94 2.506 -14.415 -8.796 1.00 0.00 C ATOM 1508 CD GLN A 94 1.802 -15.211 -7.716 1.00 0.00 C ATOM 1509 OE1 GLN A 94 0.783 -15.858 -7.963 1.00 0.00 O ATOM 1510 NE2 GLN A 94 2.339 -15.168 -6.511 1.00 0.00 N ATOM 0 H GLN A 94 1.346 -12.824 -10.783 1.00 0.00 H new ATOM 0 HA GLN A 94 3.954 -13.872 -11.041 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.282 -15.168 -10.378 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.828 -15.978 -10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.568 -14.355 -8.558 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.121 -13.395 -8.794 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.184 -14.620 -6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.909 -15.683 -5.742 1.00 0.00 H new ATOM 1519 N THR A 95 3.349 -16.106 -12.636 1.00 0.00 N ATOM 1520 CA THR A 95 3.463 -16.843 -13.867 1.00 0.00 C ATOM 1521 C THR A 95 3.742 -18.313 -13.576 1.00 0.00 C ATOM 1522 O THR A 95 3.817 -18.725 -12.417 1.00 0.00 O ATOM 1523 CB THR A 95 4.579 -16.253 -14.776 1.00 0.00 C ATOM 1524 OG1 THR A 95 4.541 -16.865 -16.074 1.00 0.00 O ATOM 1525 CG2 THR A 95 5.958 -16.455 -14.155 1.00 0.00 C ATOM 0 H THR A 95 3.622 -16.623 -11.800 1.00 0.00 H new ATOM 0 HA THR A 95 2.516 -16.759 -14.400 1.00 0.00 H new ATOM 0 HB THR A 95 4.397 -15.183 -14.875 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.243 -17.546 -16.135 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.718 -16.033 -14.812 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.998 -15.956 -13.187 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.145 -17.521 -14.022 1.00 0.00 H new ATOM 1533 N GLY A 96 3.882 -19.094 -14.621 1.00 0.00 N ATOM 1534 CA GLY A 96 4.148 -20.503 -14.480 1.00 0.00 C ATOM 1535 C GLY A 96 4.803 -21.050 -15.718 1.00 0.00 C ATOM 1536 O GLY A 96 5.688 -21.902 -15.650 1.00 0.00 O ATOM 0 H GLY A 96 3.815 -18.772 -15.586 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.793 -20.671 -13.618 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.216 -21.036 -14.290 1.00 0.00 H new ATOM 1540 N GLY A 97 4.386 -20.544 -16.859 1.00 0.00 N ATOM 1541 CA GLY A 97 4.937 -20.966 -18.111 1.00 0.00 C ATOM 1542 C GLY A 97 4.395 -20.135 -19.235 1.00 0.00 C ATOM 1543 O GLY A 97 4.300 -20.639 -20.365 1.00 0.00 O ATOM 1544 OXT GLY A 97 4.038 -18.972 -18.985 1.00 0.00 O ATOM 0 H GLY A 97 3.659 -19.833 -16.936 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.023 -20.884 -18.082 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.701 -22.016 -18.282 1.00 0.00 H new TER 1548 GLY A 97