USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 789 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 77 GLN : amide:sc= -0.0417 K(o=-0.048,f=-0.58) USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.0061 X(o=-0.048,f=-0.056) USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 146:sc=-0.00602 (180deg=-0.414) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -8 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 1.7 (180deg=1.65) USER MOD Single : A 46 SER OG : rot 66:sc= 0.714 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 1.25 (180deg=0.936) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 155:sc= -0.275 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= -0.0291 (180deg=-0.292) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.259 USER MOD Single : A 68 MET CE :methyl 180:sc=-0.00756 (180deg=-0.00755) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.19) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0.821 K(o=0.82,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 130:sc= -0.207 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0466) USER MOD Single : A 102 HIS : no HE2:sc= 0.566 K(o=0.57,f=-2.5!) USER MOD Single : A 104 LYS NZ :NH3+ 146:sc= 1.23 (180deg=0.819) USER MOD Single : A 106 TYR OH : rot -12:sc= 1.15 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 173:sc= -0.194 (180deg=-0.34) USER MOD Single : A 109 MET CE :methyl -126:sc= -0.332 (180deg=-0.733) USER MOD Single : A 111 SER OG : rot 82:sc= 0.723 USER MOD Single : A 112 MET CE :methyl -169:sc=-0.000766 (180deg=-0.0189) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A -8 -0.199 -3.068 13.103 1.00 0.00 N ATOM 59 CA PHE A -8 -0.559 -3.127 11.677 1.00 0.00 C ATOM 60 C PHE A -8 0.209 -4.096 10.762 1.00 0.00 C ATOM 61 O PHE A -8 -0.390 -4.827 9.968 1.00 0.00 O ATOM 62 CB PHE A -8 -0.622 -1.693 11.120 1.00 0.00 C ATOM 63 CG PHE A -8 -0.424 -1.577 9.620 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.520 -1.664 8.743 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.879 -1.436 9.103 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.309 -1.625 7.354 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.090 -1.418 7.716 1.00 0.00 C ATOM 68 CZ PHE A -8 -0.004 -1.513 6.841 1.00 0.00 C ATOM 0 H1 PHE A -8 -0.803 -2.372 13.585 1.00 0.00 H new ATOM 0 H2 PHE A -8 -0.337 -4.004 13.535 1.00 0.00 H new ATOM 0 H3 PHE A -8 0.798 -2.786 13.198 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.539 -3.603 11.660 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.589 -1.262 11.378 1.00 0.00 H new ATOM 0 HB3 PHE A -8 0.138 -1.092 11.619 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.521 -1.761 9.136 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.718 -1.341 9.776 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.150 -1.681 6.679 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.092 -1.331 7.322 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.157 -1.500 5.773 1.00 0.00 H new ATOM 78 N TRP A -7 1.538 -4.138 10.898 1.00 0.00 N ATOM 79 CA TRP A -7 2.403 -4.958 10.046 1.00 0.00 C ATOM 80 C TRP A -7 2.112 -6.463 10.148 1.00 0.00 C ATOM 81 O TRP A -7 2.226 -7.176 9.154 1.00 0.00 O ATOM 82 CB TRP A -7 3.871 -4.635 10.350 1.00 0.00 C ATOM 83 CG TRP A -7 4.880 -5.412 9.557 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.378 -6.622 9.903 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.308 -5.195 8.173 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.161 -7.118 8.880 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.137 -6.291 7.779 1.00 0.00 C ATOM 88 CE3 TRP A -7 5.094 -4.177 7.214 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.726 -6.372 6.508 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.696 -4.242 5.942 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.507 -5.335 5.586 1.00 0.00 C ATOM 0 H TRP A -7 2.045 -3.603 11.603 1.00 0.00 H new ATOM 0 HA TRP A -7 2.186 -4.701 9.009 1.00 0.00 H new ATOM 0 HB2 TRP A -7 4.035 -3.572 10.173 1.00 0.00 H new ATOM 0 HB3 TRP A -7 4.052 -4.813 11.410 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.191 -7.125 10.840 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.691 -7.988 8.933 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.460 -3.338 7.461 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.339 -7.220 6.242 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.533 -3.444 5.233 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.960 -5.377 4.606 1.00 0.00 H new ATOM 102 N GLU A -6 1.647 -6.956 11.304 1.00 0.00 N ATOM 103 CA GLU A -6 1.269 -8.369 11.475 1.00 0.00 C ATOM 104 C GLU A -6 0.040 -8.776 10.641 1.00 0.00 C ATOM 105 O GLU A -6 -0.152 -9.965 10.385 1.00 0.00 O ATOM 106 CB GLU A -6 1.025 -8.693 12.957 1.00 0.00 C ATOM 107 CG GLU A -6 2.272 -8.455 13.823 1.00 0.00 C ATOM 108 CD GLU A -6 2.135 -9.029 15.247 1.00 0.00 C ATOM 109 OE1 GLU A -6 1.595 -10.148 15.427 1.00 0.00 O ATOM 110 OE2 GLU A -6 2.598 -8.359 16.201 1.00 0.00 O ATOM 0 H GLU A -6 1.522 -6.391 12.144 1.00 0.00 H new ATOM 0 HA GLU A -6 2.112 -8.952 11.105 1.00 0.00 H new ATOM 0 HB2 GLU A -6 0.205 -8.079 13.330 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.713 -9.733 13.052 1.00 0.00 H new ATOM 0 HG2 GLU A -6 3.137 -8.907 13.337 1.00 0.00 H new ATOM 0 HG3 GLU A -6 2.465 -7.384 13.886 1.00 0.00 H new ATOM 117 N TYR A -5 -0.771 -7.806 10.202 1.00 0.00 N ATOM 118 CA TYR A -5 -1.823 -7.969 9.193 1.00 0.00 C ATOM 119 C TYR A -5 -1.371 -7.794 7.741 1.00 0.00 C ATOM 120 O TYR A -5 -1.715 -8.588 6.865 1.00 0.00 O ATOM 121 CB TYR A -5 -3.054 -7.114 9.521 1.00 0.00 C ATOM 122 CG TYR A -5 -3.987 -7.743 10.532 1.00 0.00 C ATOM 123 CD1 TYR A -5 -3.787 -7.546 11.912 1.00 0.00 C ATOM 124 CD2 TYR A -5 -5.067 -8.524 10.078 1.00 0.00 C ATOM 125 CE1 TYR A -5 -4.673 -8.127 12.841 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.960 -9.096 11.001 1.00 0.00 C ATOM 127 CZ TYR A -5 -5.766 -8.902 12.386 1.00 0.00 C ATOM 128 OH TYR A -5 -6.635 -9.463 13.271 1.00 0.00 O ATOM 0 H TYR A -5 -0.710 -6.850 10.553 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.105 -9.020 9.256 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.722 -6.147 9.900 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.607 -6.923 8.601 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -2.955 -6.950 12.258 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -5.210 -8.684 9.019 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -4.518 -7.981 13.900 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -6.795 -9.684 10.650 1.00 0.00 H new ATOM 0 HH TYR A -5 -7.324 -9.959 12.783 1.00 0.00 H new ATOM 138 N TRP A -4 -0.553 -6.769 7.495 1.00 0.00 N ATOM 139 CA TRP A -4 -0.018 -6.432 6.171 1.00 0.00 C ATOM 140 C TRP A -4 0.927 -7.518 5.638 1.00 0.00 C ATOM 141 O TRP A -4 0.900 -7.834 4.450 1.00 0.00 O ATOM 142 CB TRP A -4 0.705 -5.090 6.301 1.00 0.00 C ATOM 143 CG TRP A -4 1.045 -4.473 4.990 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.166 -4.713 4.276 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.137 -3.779 4.083 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.047 -4.126 3.034 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.804 -3.570 2.843 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.194 -3.323 4.184 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.187 -2.941 1.755 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.825 -2.688 3.098 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.141 -2.496 1.887 1.00 0.00 C ATOM 0 H TRP A -4 -0.236 -6.134 8.227 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.833 -6.364 5.450 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.078 -4.401 6.867 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.620 -5.233 6.875 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.020 -5.276 4.623 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.793 -4.107 2.339 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.736 -3.463 5.107 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.723 -2.799 0.828 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.844 -2.345 3.197 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.633 -2.008 1.059 1.00 0.00 H new ATOM 162 N LEU A -3 1.693 -8.176 6.512 1.00 0.00 N ATOM 163 CA LEU A -3 2.523 -9.332 6.171 1.00 0.00 C ATOM 164 C LEU A -3 1.714 -10.476 5.528 1.00 0.00 C ATOM 165 O LEU A -3 2.211 -11.168 4.637 1.00 0.00 O ATOM 166 CB LEU A -3 3.219 -9.777 7.472 1.00 0.00 C ATOM 167 CG LEU A -3 4.215 -10.938 7.316 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.402 -10.517 6.448 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.743 -11.340 8.693 1.00 0.00 C ATOM 0 H LEU A -3 1.754 -7.914 7.496 1.00 0.00 H new ATOM 0 HA LEU A -3 3.257 -9.056 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.746 -8.921 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.455 -10.069 8.193 1.00 0.00 H new ATOM 0 HG LEU A -3 3.699 -11.773 6.843 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.095 -11.352 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.045 -10.224 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.913 -9.674 6.914 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.449 -12.163 8.586 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.245 -10.489 9.153 1.00 0.00 H new ATOM 0 HD23 LEU A -3 3.912 -11.655 9.324 1.00 0.00 H new ATOM 181 N ARG A -2 0.446 -10.643 5.932 1.00 0.00 N ATOM 182 CA ARG A -2 -0.453 -11.710 5.451 1.00 0.00 C ATOM 183 C ARG A -2 -0.926 -11.486 4.014 1.00 0.00 C ATOM 184 O ARG A -2 -1.271 -12.455 3.340 1.00 0.00 O ATOM 185 CB ARG A -2 -1.630 -11.916 6.420 1.00 0.00 C ATOM 186 CG ARG A -2 -1.232 -11.950 7.905 1.00 0.00 C ATOM 187 CD ARG A -2 -0.078 -12.909 8.235 1.00 0.00 C ATOM 188 NE ARG A -2 0.432 -12.661 9.592 1.00 0.00 N ATOM 189 CZ ARG A -2 1.447 -13.269 10.176 1.00 0.00 C ATOM 190 NH1 ARG A -2 2.170 -14.169 9.573 1.00 0.00 N ATOM 191 NH2 ARG A -2 1.764 -12.964 11.401 1.00 0.00 N ATOM 0 H ARG A -2 0.005 -10.029 6.616 1.00 0.00 H new ATOM 0 HA ARG A -2 0.130 -12.631 5.431 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -2.354 -11.115 6.269 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.132 -12.851 6.169 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -0.951 -10.944 8.216 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.103 -12.234 8.495 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -0.421 -13.940 8.153 1.00 0.00 H new ATOM 0 HD3 ARG A -2 0.726 -12.782 7.510 1.00 0.00 H new ATOM 0 HE ARG A -2 -0.048 -11.946 10.138 1.00 0.00 H new ATOM 0 HH11 ARG A -2 1.960 -14.430 8.609 1.00 0.00 H new ATOM 0 HH12 ARG A -2 2.946 -14.613 10.064 1.00 0.00 H new ATOM 0 HH21 ARG A -2 1.229 -12.258 11.906 1.00 0.00 H new ATOM 0 HH22 ARG A -2 2.548 -13.431 11.856 1.00 0.00 H new ATOM 205 N LEU A -1 -0.857 -10.249 3.511 1.00 0.00 N ATOM 206 CA LEU A -1 -1.046 -9.959 2.087 1.00 0.00 C ATOM 207 C LEU A -1 0.069 -10.606 1.259 1.00 0.00 C ATOM 208 O LEU A -1 -0.207 -11.262 0.255 1.00 0.00 O ATOM 209 CB LEU A -1 -1.022 -8.442 1.835 1.00 0.00 C ATOM 210 CG LEU A -1 -2.231 -7.669 2.366 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.914 -6.187 2.243 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.482 -7.946 1.534 1.00 0.00 C ATOM 0 H LEU A -1 -0.669 -9.423 4.079 1.00 0.00 H new ATOM 0 HA LEU A -1 -2.013 -10.365 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.121 -8.030 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.945 -8.270 0.761 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.421 -7.974 3.395 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.756 -5.603 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.025 -5.955 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.733 -5.939 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.321 -7.381 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.306 -7.644 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.712 -9.011 1.567 1.00 0.00 H new ATOM 224 N MET A 0 1.323 -10.439 1.691 1.00 0.00 N ATOM 225 CA MET A 0 2.500 -10.899 0.946 1.00 0.00 C ATOM 226 C MET A 0 2.706 -12.417 1.076 1.00 0.00 C ATOM 227 O MET A 0 3.094 -13.086 0.118 1.00 0.00 O ATOM 228 CB MET A 0 3.756 -10.146 1.408 1.00 0.00 C ATOM 229 CG MET A 0 3.532 -8.634 1.402 1.00 0.00 C ATOM 230 SD MET A 0 5.013 -7.644 1.096 1.00 0.00 S ATOM 231 CE MET A 0 5.821 -7.664 2.705 1.00 0.00 C ATOM 0 H MET A 0 1.552 -9.979 2.572 1.00 0.00 H new ATOM 0 HA MET A 0 2.324 -10.683 -0.108 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.029 -10.471 2.412 1.00 0.00 H new ATOM 0 HB3 MET A 0 4.592 -10.394 0.754 1.00 0.00 H new ATOM 0 HG2 MET A 0 2.790 -8.395 0.641 1.00 0.00 H new ATOM 0 HG3 MET A 0 3.109 -8.341 2.363 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.902 -7.664 2.569 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.526 -6.780 3.271 1.00 0.00 H new ATOM 0 HE3 MET A 0 5.524 -8.560 3.250 1.00 0.00 H new ATOM 241 N GLU A 1 2.398 -12.968 2.252 1.00 0.00 N ATOM 242 CA GLU A 1 2.314 -14.421 2.496 1.00 0.00 C ATOM 243 C GLU A 1 1.128 -15.099 1.773 1.00 0.00 C ATOM 244 O GLU A 1 1.108 -16.324 1.638 1.00 0.00 O ATOM 245 CB GLU A 1 2.211 -14.688 4.009 1.00 0.00 C ATOM 246 CG GLU A 1 3.517 -14.400 4.764 1.00 0.00 C ATOM 247 CD GLU A 1 3.410 -14.655 6.284 1.00 0.00 C ATOM 248 OE1 GLU A 1 2.289 -14.728 6.843 1.00 0.00 O ATOM 249 OE2 GLU A 1 4.471 -14.777 6.942 1.00 0.00 O ATOM 0 H GLU A 1 2.195 -12.411 3.082 1.00 0.00 H new ATOM 0 HA GLU A 1 3.225 -14.858 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.414 -14.073 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.928 -15.728 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.312 -15.022 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.805 -13.362 4.596 1.00 0.00 H new ATOM 678 N LEU A 33 9.431 -8.682 -11.868 1.00 0.00 N ATOM 679 CA LEU A 33 9.156 -7.243 -12.010 1.00 0.00 C ATOM 680 C LEU A 33 7.833 -6.963 -12.753 1.00 0.00 C ATOM 681 O LEU A 33 7.435 -7.722 -13.640 1.00 0.00 O ATOM 682 CB LEU A 33 10.331 -6.546 -12.728 1.00 0.00 C ATOM 683 CG LEU A 33 11.713 -6.704 -12.063 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.791 -6.126 -12.981 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.802 -5.981 -10.718 1.00 0.00 C ATOM 0 HA LEU A 33 9.049 -6.836 -11.005 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.392 -6.933 -13.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.105 -5.482 -12.805 1.00 0.00 H new ATOM 0 HG LEU A 33 11.862 -7.770 -11.893 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.768 -6.238 -12.510 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.783 -6.659 -13.932 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.591 -5.069 -13.156 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.795 -6.124 -10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.620 -4.916 -10.865 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.054 -6.386 -10.037 1.00 0.00 H new ATOM 697 N VAL A 34 7.180 -5.842 -12.413 1.00 0.00 N ATOM 698 CA VAL A 34 5.850 -5.437 -12.933 1.00 0.00 C ATOM 699 C VAL A 34 5.763 -4.056 -13.584 1.00 0.00 C ATOM 700 O VAL A 34 4.833 -3.795 -14.347 1.00 0.00 O ATOM 701 CB VAL A 34 4.741 -5.594 -11.871 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.931 -6.833 -10.997 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.612 -4.396 -10.917 1.00 0.00 C ATOM 0 H VAL A 34 7.566 -5.169 -11.751 1.00 0.00 H new ATOM 0 HA VAL A 34 5.689 -6.141 -13.749 1.00 0.00 H new ATOM 0 HB VAL A 34 3.836 -5.678 -12.473 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.122 -6.892 -10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.921 -7.725 -11.623 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.885 -6.767 -10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.811 -4.585 -10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.551 -4.255 -10.382 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.382 -3.498 -11.490 1.00 0.00 H new ATOM 713 N ARG A 35 6.717 -3.178 -13.249 1.00 0.00 N ATOM 714 CA ARG A 35 6.760 -1.736 -13.559 1.00 0.00 C ATOM 715 C ARG A 35 5.461 -0.996 -13.147 1.00 0.00 C ATOM 716 O ARG A 35 4.567 -0.806 -13.976 1.00 0.00 O ATOM 717 CB ARG A 35 7.189 -1.537 -15.030 1.00 0.00 C ATOM 718 CG ARG A 35 7.240 -0.082 -15.530 1.00 0.00 C ATOM 719 CD ARG A 35 8.130 0.873 -14.719 1.00 0.00 C ATOM 720 NE ARG A 35 8.076 2.228 -15.304 1.00 0.00 N ATOM 721 CZ ARG A 35 8.581 3.343 -14.807 1.00 0.00 C ATOM 722 NH1 ARG A 35 9.292 3.372 -13.717 1.00 0.00 N ATOM 723 NH2 ARG A 35 8.382 4.477 -15.416 1.00 0.00 N ATOM 0 H ARG A 35 7.537 -3.472 -12.718 1.00 0.00 H new ATOM 0 HA ARG A 35 7.521 -1.256 -12.944 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.176 -1.980 -15.162 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.502 -2.094 -15.666 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.589 -0.085 -16.563 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.225 0.316 -15.537 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.797 0.902 -13.682 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.158 0.510 -14.714 1.00 0.00 H new ATOM 0 HE ARG A 35 7.591 2.313 -16.198 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.480 2.508 -13.208 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.661 4.258 -13.372 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.836 4.504 -16.277 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.772 5.338 -15.032 1.00 0.00 H new ATOM 737 N PRO A 36 5.326 -0.592 -11.866 1.00 0.00 N ATOM 738 CA PRO A 36 4.151 0.140 -11.383 1.00 0.00 C ATOM 739 C PRO A 36 4.020 1.550 -11.991 1.00 0.00 C ATOM 740 O PRO A 36 4.986 2.114 -12.514 1.00 0.00 O ATOM 741 CB PRO A 36 4.307 0.192 -9.858 1.00 0.00 C ATOM 742 CG PRO A 36 5.810 0.096 -9.629 1.00 0.00 C ATOM 743 CD PRO A 36 6.281 -0.790 -10.779 1.00 0.00 C ATOM 0 HA PRO A 36 3.233 -0.364 -11.686 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.901 1.117 -9.448 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.778 -0.630 -9.376 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.285 1.077 -9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.042 -0.345 -8.660 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.289 -0.517 -11.092 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.313 -1.836 -10.476 1.00 0.00 H new ATOM 751 N LYS A 37 2.822 2.141 -11.882 1.00 0.00 N ATOM 752 CA LYS A 37 2.491 3.515 -12.234 1.00 0.00 C ATOM 753 C LYS A 37 3.427 4.525 -11.527 1.00 0.00 C ATOM 754 O LYS A 37 3.713 4.327 -10.345 1.00 0.00 O ATOM 755 CB LYS A 37 0.997 3.648 -11.858 1.00 0.00 C ATOM 756 CG LYS A 37 0.548 5.090 -11.718 1.00 0.00 C ATOM 757 CD LYS A 37 -0.971 5.313 -11.680 1.00 0.00 C ATOM 758 CE LYS A 37 -1.668 4.565 -10.534 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.090 4.986 -10.412 1.00 0.00 N ATOM 0 H LYS A 37 2.013 1.635 -11.523 1.00 0.00 H new ATOM 0 HA LYS A 37 2.641 3.745 -13.289 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.391 3.157 -12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.816 3.124 -10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.980 5.499 -10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.960 5.662 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.172 6.380 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.402 4.992 -12.629 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.617 3.491 -10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.146 4.759 -9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.540 4.467 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.134 6.007 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.591 4.778 -11.300 1.00 0.00 H new ATOM 773 N PRO A 38 3.853 5.636 -12.165 1.00 0.00 N ATOM 774 CA PRO A 38 4.735 6.634 -11.539 1.00 0.00 C ATOM 775 C PRO A 38 4.216 7.219 -10.213 1.00 0.00 C ATOM 776 O PRO A 38 5.000 7.466 -9.296 1.00 0.00 O ATOM 777 CB PRO A 38 4.927 7.726 -12.596 1.00 0.00 C ATOM 778 CG PRO A 38 4.806 6.953 -13.907 1.00 0.00 C ATOM 779 CD PRO A 38 3.718 5.929 -13.589 1.00 0.00 C ATOM 0 HA PRO A 38 5.670 6.156 -11.246 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.169 8.505 -12.515 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.897 8.214 -12.502 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.523 7.602 -14.736 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.745 6.474 -14.184 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.729 6.327 -13.814 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.843 5.027 -14.188 1.00 0.00 H new ATOM 787 N LEU A 39 2.895 7.383 -10.067 1.00 0.00 N ATOM 788 CA LEU A 39 2.259 7.833 -8.821 1.00 0.00 C ATOM 789 C LEU A 39 2.400 6.810 -7.671 1.00 0.00 C ATOM 790 O LEU A 39 2.569 7.196 -6.517 1.00 0.00 O ATOM 791 CB LEU A 39 0.784 8.167 -9.128 1.00 0.00 C ATOM 792 CG LEU A 39 0.053 8.938 -8.011 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.575 10.371 -7.876 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.442 9.011 -8.321 1.00 0.00 C ATOM 0 H LEU A 39 2.230 7.205 -10.819 1.00 0.00 H new ATOM 0 HA LEU A 39 2.772 8.725 -8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.742 8.755 -10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.248 7.238 -9.321 1.00 0.00 H new ATOM 0 HG LEU A 39 0.234 8.401 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.035 10.881 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.639 10.350 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.424 10.903 -8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.952 9.557 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.592 9.526 -9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.850 8.002 -8.387 1.00 0.00 H new ATOM 806 N LEU A 40 2.382 5.507 -7.982 1.00 0.00 N ATOM 807 CA LEU A 40 2.654 4.430 -7.027 1.00 0.00 C ATOM 808 C LEU A 40 4.148 4.345 -6.711 1.00 0.00 C ATOM 809 O LEU A 40 4.533 4.245 -5.553 1.00 0.00 O ATOM 810 CB LEU A 40 2.116 3.107 -7.604 1.00 0.00 C ATOM 811 CG LEU A 40 2.438 1.857 -6.765 1.00 0.00 C ATOM 812 CD1 LEU A 40 1.925 1.980 -5.330 1.00 0.00 C ATOM 813 CD2 LEU A 40 1.788 0.627 -7.399 1.00 0.00 C ATOM 0 H LEU A 40 2.174 5.168 -8.921 1.00 0.00 H new ATOM 0 HA LEU A 40 2.146 4.636 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.034 3.187 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.525 2.971 -8.605 1.00 0.00 H new ATOM 0 HG LEU A 40 3.523 1.759 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.175 1.075 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.391 2.840 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.843 2.112 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.019 -0.255 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.708 0.766 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.174 0.492 -8.410 1.00 0.00 H new ATOM 825 N LEU A 41 5.000 4.459 -7.726 1.00 0.00 N ATOM 826 CA LEU A 41 6.456 4.514 -7.561 1.00 0.00 C ATOM 827 C LEU A 41 6.897 5.663 -6.628 1.00 0.00 C ATOM 828 O LEU A 41 7.778 5.475 -5.787 1.00 0.00 O ATOM 829 CB LEU A 41 7.070 4.603 -8.967 1.00 0.00 C ATOM 830 CG LEU A 41 8.593 4.773 -8.996 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.301 3.626 -8.279 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.065 4.805 -10.447 1.00 0.00 C ATOM 0 H LEU A 41 4.699 4.517 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 41 6.818 3.615 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.809 3.700 -9.519 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.615 5.442 -9.494 1.00 0.00 H new ATOM 0 HG LEU A 41 8.837 5.704 -8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.379 3.781 -8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.979 3.593 -7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.051 2.683 -8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.148 4.926 -10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.791 3.872 -10.939 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.593 5.640 -10.965 1.00 0.00 H new ATOM 844 N LYS A 42 6.231 6.822 -6.703 1.00 0.00 N ATOM 845 CA LYS A 42 6.408 7.950 -5.771 1.00 0.00 C ATOM 846 C LYS A 42 6.081 7.581 -4.313 1.00 0.00 C ATOM 847 O LYS A 42 6.780 8.027 -3.405 1.00 0.00 O ATOM 848 CB LYS A 42 5.530 9.118 -6.258 1.00 0.00 C ATOM 849 CG LYS A 42 5.641 10.398 -5.411 1.00 0.00 C ATOM 850 CD LYS A 42 4.529 11.407 -5.741 1.00 0.00 C ATOM 851 CE LYS A 42 4.499 11.897 -7.196 1.00 0.00 C ATOM 852 NZ LYS A 42 5.699 12.700 -7.553 1.00 0.00 N ATOM 0 H LYS A 42 5.538 7.009 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 42 7.459 8.237 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.800 9.354 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.489 8.794 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.592 10.138 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.613 10.862 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.567 10.951 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.639 12.271 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.429 11.038 -7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.604 12.498 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.629 13.006 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.754 13.535 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.554 12.121 -7.429 1.00 0.00 H new ATOM 866 N LEU A 43 5.071 6.737 -4.076 1.00 0.00 N ATOM 867 CA LEU A 43 4.741 6.191 -2.748 1.00 0.00 C ATOM 868 C LEU A 43 5.936 5.401 -2.178 1.00 0.00 C ATOM 869 O LEU A 43 6.375 5.645 -1.055 1.00 0.00 O ATOM 870 CB LEU A 43 3.458 5.329 -2.867 1.00 0.00 C ATOM 871 CG LEU A 43 2.656 5.006 -1.594 1.00 0.00 C ATOM 872 CD1 LEU A 43 3.454 4.247 -0.540 1.00 0.00 C ATOM 873 CD2 LEU A 43 2.035 6.252 -0.978 1.00 0.00 C ATOM 0 H LEU A 43 4.447 6.406 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 43 4.543 6.999 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.785 5.834 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.739 4.382 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 43 1.859 4.342 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.822 4.056 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.796 3.299 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.315 4.842 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.479 5.976 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.822 6.958 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.359 6.715 -1.697 1.00 0.00 H new ATOM 885 N LEU A 44 6.540 4.525 -2.990 1.00 0.00 N ATOM 886 CA LEU A 44 7.740 3.760 -2.613 1.00 0.00 C ATOM 887 C LEU A 44 8.946 4.687 -2.361 1.00 0.00 C ATOM 888 O LEU A 44 9.688 4.520 -1.394 1.00 0.00 O ATOM 889 CB LEU A 44 8.070 2.683 -3.676 1.00 0.00 C ATOM 890 CG LEU A 44 6.875 1.980 -4.342 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.353 0.986 -5.398 1.00 0.00 C ATOM 892 CD2 LEU A 44 5.974 1.245 -3.350 1.00 0.00 C ATOM 0 H LEU A 44 6.209 4.324 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 44 7.523 3.248 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.669 3.149 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.694 1.922 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 44 6.286 2.774 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.492 0.500 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.922 1.514 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.987 0.234 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.152 0.772 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.553 0.483 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.574 1.955 -2.626 1.00 0.00 H new ATOM 904 N LYS A 45 9.123 5.720 -3.191 1.00 0.00 N ATOM 905 CA LYS A 45 10.179 6.738 -3.030 1.00 0.00 C ATOM 906 C LYS A 45 9.977 7.693 -1.852 1.00 0.00 C ATOM 907 O LYS A 45 10.963 8.207 -1.325 1.00 0.00 O ATOM 908 CB LYS A 45 10.404 7.457 -4.365 1.00 0.00 C ATOM 909 CG LYS A 45 11.213 6.521 -5.264 1.00 0.00 C ATOM 910 CD LYS A 45 11.304 7.032 -6.700 1.00 0.00 C ATOM 911 CE LYS A 45 11.841 5.928 -7.605 1.00 0.00 C ATOM 912 NZ LYS A 45 13.212 5.480 -7.243 1.00 0.00 N ATOM 0 H LYS A 45 8.531 5.879 -4.006 1.00 0.00 H new ATOM 0 HA LYS A 45 11.093 6.212 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.451 7.706 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.938 8.395 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.218 6.408 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.755 5.532 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.321 7.353 -7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.958 7.903 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.165 5.074 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.843 6.283 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.483 4.674 -7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.883 6.261 -7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.231 5.192 -6.244 1.00 0.00 H new ATOM 926 N SER A 46 8.750 7.833 -1.348 1.00 0.00 N ATOM 927 CA SER A 46 8.460 8.527 -0.081 1.00 0.00 C ATOM 928 C SER A 46 9.038 7.785 1.140 1.00 0.00 C ATOM 929 O SER A 46 9.228 8.392 2.194 1.00 0.00 O ATOM 930 CB SER A 46 6.951 8.742 0.095 1.00 0.00 C ATOM 931 OG SER A 46 6.440 9.553 -0.950 1.00 0.00 O ATOM 0 H SER A 46 7.917 7.466 -1.809 1.00 0.00 H new ATOM 0 HA SER A 46 8.952 9.498 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.439 7.780 0.100 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.755 9.213 1.058 1.00 0.00 H new ATOM 0 HG SER A 46 6.518 9.076 -1.802 1.00 0.00 H new ATOM 937 N VAL A 47 9.377 6.494 0.983 1.00 0.00 N ATOM 938 CA VAL A 47 10.149 5.672 1.940 1.00 0.00 C ATOM 939 C VAL A 47 11.529 5.241 1.399 1.00 0.00 C ATOM 940 O VAL A 47 12.181 4.364 1.970 1.00 0.00 O ATOM 941 CB VAL A 47 9.314 4.508 2.514 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.018 5.011 3.155 1.00 0.00 C ATOM 943 CG2 VAL A 47 8.950 3.440 1.477 1.00 0.00 C ATOM 0 H VAL A 47 9.110 5.969 0.150 1.00 0.00 H new ATOM 0 HA VAL A 47 10.378 6.319 2.787 1.00 0.00 H new ATOM 0 HB VAL A 47 9.960 4.049 3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.455 4.165 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.256 5.698 3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.419 5.529 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.364 2.655 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.366 3.894 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.862 3.011 1.062 1.00 0.00 H new ATOM 953 N GLY A 48 12.013 5.889 0.330 1.00 0.00 N ATOM 954 CA GLY A 48 13.391 5.778 -0.166 1.00 0.00 C ATOM 955 C GLY A 48 13.704 4.595 -1.091 1.00 0.00 C ATOM 956 O GLY A 48 14.861 4.174 -1.153 1.00 0.00 O ATOM 0 H GLY A 48 11.441 6.522 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.635 6.698 -0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.057 5.721 0.695 1.00 0.00 H new ATOM 960 N ALA A 49 12.718 4.041 -1.806 1.00 0.00 N ATOM 961 CA ALA A 49 12.924 2.922 -2.727 1.00 0.00 C ATOM 962 C ALA A 49 13.831 3.333 -3.918 1.00 0.00 C ATOM 963 O ALA A 49 13.505 4.249 -4.679 1.00 0.00 O ATOM 964 CB ALA A 49 11.530 2.437 -3.134 1.00 0.00 C ATOM 0 H ALA A 49 11.750 4.360 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 49 13.464 2.098 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.624 1.599 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.983 2.117 -2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.990 3.249 -3.621 1.00 0.00 H new ATOM 970 N GLN A 50 14.988 2.679 -4.078 1.00 0.00 N ATOM 971 CA GLN A 50 16.063 3.115 -4.992 1.00 0.00 C ATOM 972 C GLN A 50 15.822 2.871 -6.496 1.00 0.00 C ATOM 973 O GLN A 50 16.098 3.755 -7.311 1.00 0.00 O ATOM 974 CB GLN A 50 17.390 2.467 -4.559 1.00 0.00 C ATOM 975 CG GLN A 50 17.849 2.930 -3.163 1.00 0.00 C ATOM 976 CD GLN A 50 19.213 2.372 -2.746 1.00 0.00 C ATOM 977 OE1 GLN A 50 19.864 1.596 -3.437 1.00 0.00 O ATOM 978 NE2 GLN A 50 19.708 2.747 -1.583 1.00 0.00 N ATOM 0 H GLN A 50 15.211 1.822 -3.573 1.00 0.00 H new ATOM 0 HA GLN A 50 16.090 4.201 -4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.277 1.383 -4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 50 18.163 2.707 -5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.892 4.019 -3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 50 17.103 2.630 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 50 19.185 3.392 -0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.614 2.392 -1.276 1.00 0.00 H new ATOM 987 N LYS A 51 15.309 1.692 -6.875 1.00 0.00 N ATOM 988 CA LYS A 51 15.031 1.276 -8.268 1.00 0.00 C ATOM 989 C LYS A 51 13.871 2.058 -8.909 1.00 0.00 C ATOM 990 O LYS A 51 13.171 2.826 -8.246 1.00 0.00 O ATOM 991 CB LYS A 51 14.705 -0.234 -8.315 1.00 0.00 C ATOM 992 CG LYS A 51 15.721 -1.155 -7.619 1.00 0.00 C ATOM 993 CD LYS A 51 15.384 -2.639 -7.845 1.00 0.00 C ATOM 994 CE LYS A 51 14.067 -3.052 -7.169 1.00 0.00 C ATOM 995 NZ LYS A 51 13.645 -4.411 -7.579 1.00 0.00 N ATOM 0 H LYS A 51 15.065 0.970 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 51 15.932 1.494 -8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.728 -0.391 -7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.622 -0.537 -9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.722 -0.946 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.734 -0.942 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.316 -2.834 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.196 -3.256 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.188 -3.019 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.286 -2.336 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.728 -4.636 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.555 -4.449 -8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.355 -5.104 -7.267 1.00 0.00 H new ATOM 1009 N ASP A 52 13.641 1.819 -10.199 1.00 0.00 N ATOM 1010 CA ASP A 52 12.471 2.265 -10.979 1.00 0.00 C ATOM 1011 C ASP A 52 11.514 1.147 -11.454 1.00 0.00 C ATOM 1012 O ASP A 52 10.499 1.409 -12.106 1.00 0.00 O ATOM 1013 CB ASP A 52 12.869 3.249 -12.093 1.00 0.00 C ATOM 1014 CG ASP A 52 14.053 2.822 -12.984 1.00 0.00 C ATOM 1015 OD1 ASP A 52 14.475 1.640 -12.963 1.00 0.00 O ATOM 1016 OD2 ASP A 52 14.562 3.687 -13.738 1.00 0.00 O ATOM 0 H ASP A 52 14.297 1.281 -10.765 1.00 0.00 H new ATOM 0 HA ASP A 52 11.856 2.813 -10.265 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.001 3.414 -12.731 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.113 4.207 -11.634 1.00 0.00 H new ATOM 1021 N THR A 53 11.811 -0.104 -11.093 1.00 0.00 N ATOM 1022 CA THR A 53 11.028 -1.311 -11.417 1.00 0.00 C ATOM 1023 C THR A 53 11.000 -2.178 -10.154 1.00 0.00 C ATOM 1024 O THR A 53 11.999 -2.314 -9.443 1.00 0.00 O ATOM 1025 CB THR A 53 11.691 -2.144 -12.534 1.00 0.00 C ATOM 1026 OG1 THR A 53 13.104 -2.145 -12.449 1.00 0.00 O ATOM 1027 CG2 THR A 53 11.302 -1.616 -13.912 1.00 0.00 C ATOM 0 H THR A 53 12.641 -0.319 -10.541 1.00 0.00 H new ATOM 0 HA THR A 53 10.036 -1.009 -11.754 1.00 0.00 H new ATOM 0 HB THR A 53 11.330 -3.163 -12.397 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.475 -2.687 -13.176 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.782 -2.220 -14.682 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.220 -1.671 -14.030 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.626 -0.580 -14.009 1.00 0.00 H new ATOM 1035 N TYR A 54 9.839 -2.786 -9.889 1.00 0.00 N ATOM 1036 CA TYR A 54 9.535 -3.519 -8.655 1.00 0.00 C ATOM 1037 C TYR A 54 8.660 -4.763 -8.831 1.00 0.00 C ATOM 1038 O TYR A 54 7.905 -4.843 -9.801 1.00 0.00 O ATOM 1039 CB TYR A 54 8.917 -2.565 -7.618 1.00 0.00 C ATOM 1040 CG TYR A 54 9.885 -1.531 -7.082 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.833 -1.897 -6.109 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.872 -0.221 -7.600 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.776 -0.960 -5.653 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.820 0.716 -7.151 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.768 0.343 -6.182 1.00 0.00 C ATOM 1046 OH TYR A 54 12.713 1.231 -5.799 1.00 0.00 O ATOM 0 H TYR A 54 9.060 -2.782 -10.548 1.00 0.00 H new ATOM 0 HA TYR A 54 10.492 -3.903 -8.302 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.068 -2.053 -8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.529 -3.151 -6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.836 -2.901 -5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.137 0.063 -8.339 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.501 -1.238 -4.902 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.820 1.720 -7.550 1.00 0.00 H new ATOM 0 HH TYR A 54 12.830 1.906 -6.499 1.00 0.00 H new ATOM 1056 N THR A 55 8.748 -5.722 -7.908 1.00 0.00 N ATOM 1057 CA THR A 55 7.799 -6.851 -7.778 1.00 0.00 C ATOM 1058 C THR A 55 6.559 -6.528 -6.946 1.00 0.00 C ATOM 1059 O THR A 55 6.605 -5.606 -6.135 1.00 0.00 O ATOM 1060 CB THR A 55 8.454 -8.171 -7.334 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.453 -8.305 -5.931 1.00 0.00 O ATOM 1062 CG2 THR A 55 9.890 -8.328 -7.820 1.00 0.00 C ATOM 0 H THR A 55 9.493 -5.745 -7.211 1.00 0.00 H new ATOM 0 HA THR A 55 7.450 -7.010 -8.798 1.00 0.00 H new ATOM 0 HB THR A 55 7.845 -8.950 -7.792 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.874 -9.154 -5.683 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.290 -9.280 -7.471 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.910 -8.303 -8.910 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.498 -7.513 -7.427 1.00 0.00 H new ATOM 1070 N MET A 56 5.453 -7.276 -7.071 1.00 0.00 N ATOM 1071 CA MET A 56 4.269 -7.046 -6.221 1.00 0.00 C ATOM 1072 C MET A 56 4.583 -7.158 -4.717 1.00 0.00 C ATOM 1073 O MET A 56 4.077 -6.362 -3.926 1.00 0.00 O ATOM 1074 CB MET A 56 3.129 -8.007 -6.589 1.00 0.00 C ATOM 1075 CG MET A 56 2.675 -7.837 -8.042 1.00 0.00 C ATOM 1076 SD MET A 56 1.031 -8.491 -8.402 1.00 0.00 S ATOM 1077 CE MET A 56 0.165 -6.937 -8.128 1.00 0.00 C ATOM 0 H MET A 56 5.351 -8.037 -7.743 1.00 0.00 H new ATOM 0 HA MET A 56 3.952 -6.021 -6.414 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.457 -9.034 -6.430 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.283 -7.836 -5.923 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.691 -6.776 -8.291 1.00 0.00 H new ATOM 0 HG3 MET A 56 3.397 -8.329 -8.694 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.903 -7.081 -8.293 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.332 -6.603 -7.104 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.541 -6.184 -8.821 1.00 0.00 H new ATOM 1087 N LYS A 57 5.469 -8.087 -4.330 1.00 0.00 N ATOM 1088 CA LYS A 57 5.996 -8.231 -2.963 1.00 0.00 C ATOM 1089 C LYS A 57 6.839 -7.023 -2.555 1.00 0.00 C ATOM 1090 O LYS A 57 6.670 -6.521 -1.452 1.00 0.00 O ATOM 1091 CB LYS A 57 6.747 -9.572 -2.895 1.00 0.00 C ATOM 1092 CG LYS A 57 7.452 -9.901 -1.568 1.00 0.00 C ATOM 1093 CD LYS A 57 8.842 -9.250 -1.422 1.00 0.00 C ATOM 1094 CE LYS A 57 9.768 -9.995 -0.449 1.00 0.00 C ATOM 1095 NZ LYS A 57 10.114 -11.354 -0.940 1.00 0.00 N ATOM 0 H LYS A 57 5.850 -8.778 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 57 5.188 -8.251 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.038 -10.371 -3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.493 -9.585 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.820 -9.575 -0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.557 -10.983 -1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.318 -9.205 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.719 -8.223 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.682 -9.418 -0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.283 -10.074 0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.965 -11.694 -0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.323 -12.003 -0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.297 -11.317 -1.963 1.00 0.00 H new ATOM 1109 N GLU A 58 7.694 -6.500 -3.432 1.00 0.00 N ATOM 1110 CA GLU A 58 8.460 -5.275 -3.150 1.00 0.00 C ATOM 1111 C GLU A 58 7.573 -4.023 -3.010 1.00 0.00 C ATOM 1112 O GLU A 58 7.776 -3.228 -2.089 1.00 0.00 O ATOM 1113 CB GLU A 58 9.520 -5.052 -4.232 1.00 0.00 C ATOM 1114 CG GLU A 58 10.652 -6.091 -4.186 1.00 0.00 C ATOM 1115 CD GLU A 58 11.643 -5.936 -5.354 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.306 -5.305 -6.384 1.00 0.00 O ATOM 1117 OE2 GLU A 58 12.791 -6.430 -5.250 1.00 0.00 O ATOM 0 H GLU A 58 7.878 -6.904 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 58 8.943 -5.426 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.044 -5.085 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.945 -4.055 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.190 -5.996 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.223 -7.093 -4.209 1.00 0.00 H new ATOM 1124 N VAL A 59 6.558 -3.862 -3.871 1.00 0.00 N ATOM 1125 CA VAL A 59 5.573 -2.767 -3.785 1.00 0.00 C ATOM 1126 C VAL A 59 4.801 -2.859 -2.464 1.00 0.00 C ATOM 1127 O VAL A 59 4.758 -1.879 -1.720 1.00 0.00 O ATOM 1128 CB VAL A 59 4.596 -2.773 -4.981 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.530 -1.679 -4.872 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.301 -2.539 -6.324 1.00 0.00 C ATOM 0 H VAL A 59 6.394 -4.493 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 59 6.121 -1.825 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 59 4.145 -3.765 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.869 -1.727 -5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.948 -1.828 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.013 -0.702 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.566 -2.554 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.802 -1.571 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.037 -3.326 -6.491 1.00 0.00 H new ATOM 1140 N LEU A 60 4.228 -4.027 -2.140 1.00 0.00 N ATOM 1141 CA LEU A 60 3.531 -4.262 -0.870 1.00 0.00 C ATOM 1142 C LEU A 60 4.461 -4.022 0.332 1.00 0.00 C ATOM 1143 O LEU A 60 4.052 -3.347 1.275 1.00 0.00 O ATOM 1144 CB LEU A 60 2.966 -5.696 -0.833 1.00 0.00 C ATOM 1145 CG LEU A 60 1.716 -5.953 -1.694 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.451 -7.459 -1.782 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.467 -5.302 -1.096 1.00 0.00 C ATOM 0 H LEU A 60 4.236 -4.840 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 60 2.707 -3.552 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.750 -6.382 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.727 -5.944 0.201 1.00 0.00 H new ATOM 0 HG LEU A 60 1.911 -5.523 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.566 -7.638 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.310 -7.954 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.289 -7.859 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.392 -5.508 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.285 -5.709 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.617 -4.225 -1.025 1.00 0.00 H new ATOM 1159 N PHE A 61 5.708 -4.497 0.302 1.00 0.00 N ATOM 1160 CA PHE A 61 6.710 -4.253 1.343 1.00 0.00 C ATOM 1161 C PHE A 61 6.924 -2.779 1.700 1.00 0.00 C ATOM 1162 O PHE A 61 6.725 -2.351 2.840 1.00 0.00 O ATOM 1163 CB PHE A 61 8.018 -4.999 1.013 1.00 0.00 C ATOM 1164 CG PHE A 61 9.244 -4.585 1.805 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.549 -5.228 3.020 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.101 -3.579 1.316 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.698 -4.864 3.744 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.249 -3.214 2.041 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.551 -3.859 3.252 1.00 0.00 C ATOM 0 H PHE A 61 6.057 -5.074 -0.463 1.00 0.00 H new ATOM 0 HA PHE A 61 6.304 -4.669 2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.853 -6.065 1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.232 -4.862 -0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.898 -6.003 3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.875 -3.087 0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.926 -5.356 4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.899 -2.437 1.667 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.437 -3.584 3.805 1.00 0.00 H new ATOM 1179 N TYR A 62 7.243 -1.993 0.675 1.00 0.00 N ATOM 1180 CA TYR A 62 7.388 -0.539 0.777 1.00 0.00 C ATOM 1181 C TYR A 62 6.121 0.250 1.141 1.00 0.00 C ATOM 1182 O TYR A 62 6.180 1.184 1.940 1.00 0.00 O ATOM 1183 CB TYR A 62 8.085 0.035 -0.462 1.00 0.00 C ATOM 1184 CG TYR A 62 9.581 -0.200 -0.567 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.458 0.294 0.418 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.104 -0.874 -1.689 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.849 0.132 0.277 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.492 -1.056 -1.826 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.372 -0.543 -0.847 1.00 0.00 C ATOM 1190 OH TYR A 62 13.719 -0.694 -0.979 1.00 0.00 O ATOM 0 H TYR A 62 7.411 -2.351 -0.265 1.00 0.00 H new ATOM 0 HA TYR A 62 8.026 -0.397 1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.610 -0.388 -1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.906 1.110 -0.487 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.061 0.800 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.435 -1.253 -2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.517 0.525 1.030 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.885 -1.588 -2.680 1.00 0.00 H new ATOM 0 HH TYR A 62 13.914 -1.182 -1.806 1.00 0.00 H new ATOM 1200 N LEU A 63 4.958 -0.148 0.616 1.00 0.00 N ATOM 1201 CA LEU A 63 3.660 0.420 0.976 1.00 0.00 C ATOM 1202 C LEU A 63 3.312 0.146 2.451 1.00 0.00 C ATOM 1203 O LEU A 63 2.869 1.051 3.158 1.00 0.00 O ATOM 1204 CB LEU A 63 2.612 -0.127 -0.010 1.00 0.00 C ATOM 1205 CG LEU A 63 1.155 0.227 0.321 1.00 0.00 C ATOM 1206 CD1 LEU A 63 0.931 1.731 0.440 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.235 -0.285 -0.787 1.00 0.00 C ATOM 0 H LEU A 63 4.894 -0.888 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 63 3.682 1.507 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.843 0.249 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.705 -1.212 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 63 0.932 -0.241 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.115 1.926 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.562 2.131 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.187 2.213 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.798 -0.032 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.513 0.178 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.333 -1.367 -0.870 1.00 0.00 H new ATOM 1219 N GLY A 64 3.597 -1.057 2.952 1.00 0.00 N ATOM 1220 CA GLY A 64 3.469 -1.386 4.373 1.00 0.00 C ATOM 1221 C GLY A 64 4.388 -0.531 5.251 1.00 0.00 C ATOM 1222 O GLY A 64 3.933 0.025 6.250 1.00 0.00 O ATOM 0 H GLY A 64 3.925 -1.835 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.435 -1.243 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.704 -2.440 4.523 1.00 0.00 H new ATOM 1226 N GLN A 65 5.646 -0.325 4.843 1.00 0.00 N ATOM 1227 CA GLN A 65 6.552 0.625 5.505 1.00 0.00 C ATOM 1228 C GLN A 65 6.045 2.079 5.464 1.00 0.00 C ATOM 1229 O GLN A 65 6.238 2.818 6.431 1.00 0.00 O ATOM 1230 CB GLN A 65 7.965 0.537 4.907 1.00 0.00 C ATOM 1231 CG GLN A 65 8.692 -0.761 5.290 1.00 0.00 C ATOM 1232 CD GLN A 65 10.176 -0.740 4.920 1.00 0.00 C ATOM 1233 OE1 GLN A 65 10.630 -0.032 4.031 1.00 0.00 O ATOM 1234 NE2 GLN A 65 11.000 -1.507 5.604 1.00 0.00 N ATOM 0 H GLN A 65 6.064 -0.809 4.049 1.00 0.00 H new ATOM 0 HA GLN A 65 6.583 0.333 6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.900 0.605 3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.552 1.391 5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.592 -0.925 6.363 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.210 -1.603 4.792 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.641 -2.104 6.349 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.997 -1.504 5.389 1.00 0.00 H new ATOM 1243 N TYR A 66 5.357 2.493 4.394 1.00 0.00 N ATOM 1244 CA TYR A 66 4.737 3.815 4.299 1.00 0.00 C ATOM 1245 C TYR A 66 3.566 4.008 5.267 1.00 0.00 C ATOM 1246 O TYR A 66 3.557 4.946 6.063 1.00 0.00 O ATOM 1247 CB TYR A 66 4.395 4.156 2.843 1.00 0.00 C ATOM 1248 CG TYR A 66 3.617 5.446 2.648 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.209 5.456 2.705 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.315 6.638 2.371 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.505 6.657 2.499 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.613 7.835 2.136 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.202 7.845 2.193 1.00 0.00 C ATOM 1254 OH TYR A 66 1.509 8.989 1.943 1.00 0.00 O ATOM 0 H TYR A 66 5.215 1.915 3.566 1.00 0.00 H new ATOM 0 HA TYR A 66 5.477 4.544 4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.322 4.220 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.817 3.334 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.670 4.542 2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.395 6.633 2.339 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.428 6.669 2.575 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.152 8.744 1.913 1.00 0.00 H new ATOM 0 HH TYR A 66 2.137 9.716 1.750 1.00 0.00 H new ATOM 1264 N ILE A 67 2.626 3.059 5.272 1.00 0.00 N ATOM 1265 CA ILE A 67 1.470 3.036 6.181 1.00 0.00 C ATOM 1266 C ILE A 67 1.921 2.971 7.650 1.00 0.00 C ATOM 1267 O ILE A 67 1.352 3.662 8.498 1.00 0.00 O ATOM 1268 CB ILE A 67 0.539 1.858 5.812 1.00 0.00 C ATOM 1269 CG1 ILE A 67 -0.062 2.034 4.397 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.586 1.700 6.851 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.538 0.714 3.774 1.00 0.00 C ATOM 0 H ILE A 67 2.645 2.266 4.631 1.00 0.00 H new ATOM 0 HA ILE A 67 0.909 3.963 6.065 1.00 0.00 H new ATOM 0 HB ILE A 67 1.145 0.952 5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.902 2.727 4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.685 2.487 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.227 0.865 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.151 1.508 7.832 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.177 2.615 6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.949 0.907 2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.304 0.027 3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.308 0.270 4.406 1.00 0.00 H new ATOM 1283 N MET A 68 2.981 2.205 7.936 1.00 0.00 N ATOM 1284 CA MET A 68 3.647 2.134 9.239 1.00 0.00 C ATOM 1285 C MET A 68 4.235 3.491 9.659 1.00 0.00 C ATOM 1286 O MET A 68 3.854 4.028 10.699 1.00 0.00 O ATOM 1287 CB MET A 68 4.726 1.038 9.191 1.00 0.00 C ATOM 1288 CG MET A 68 5.527 0.880 10.491 1.00 0.00 C ATOM 1289 SD MET A 68 7.027 -0.133 10.327 1.00 0.00 S ATOM 1290 CE MET A 68 6.312 -1.762 9.974 1.00 0.00 C ATOM 0 H MET A 68 3.413 1.597 7.240 1.00 0.00 H new ATOM 0 HA MET A 68 2.909 1.877 9.999 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.250 0.087 8.954 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.417 1.260 8.378 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.808 1.869 10.853 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.883 0.434 11.249 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.112 -2.491 9.848 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.672 -2.066 10.802 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.722 -1.710 9.059 1.00 0.00 H new ATOM 1300 N THR A 69 5.132 4.075 8.855 1.00 0.00 N ATOM 1301 CA THR A 69 5.801 5.349 9.185 1.00 0.00 C ATOM 1302 C THR A 69 4.885 6.575 9.268 1.00 0.00 C ATOM 1303 O THR A 69 5.078 7.453 10.112 1.00 0.00 O ATOM 1304 CB THR A 69 7.060 5.570 8.326 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.967 6.398 9.021 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.783 6.233 6.975 1.00 0.00 C ATOM 0 H THR A 69 5.417 3.682 7.958 1.00 0.00 H new ATOM 0 HA THR A 69 6.132 5.235 10.217 1.00 0.00 H new ATOM 0 HB THR A 69 7.464 4.575 8.136 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.768 6.537 8.474 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.719 6.354 6.430 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.104 5.608 6.395 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.328 7.210 7.136 1.00 0.00 H new ATOM 1314 N LYS A 70 3.821 6.600 8.455 1.00 0.00 N ATOM 1315 CA LYS A 70 2.745 7.608 8.473 1.00 0.00 C ATOM 1316 C LYS A 70 1.662 7.359 9.543 1.00 0.00 C ATOM 1317 O LYS A 70 0.867 8.258 9.816 1.00 0.00 O ATOM 1318 CB LYS A 70 2.112 7.658 7.071 1.00 0.00 C ATOM 1319 CG LYS A 70 3.043 8.183 5.961 1.00 0.00 C ATOM 1320 CD LYS A 70 2.965 9.702 5.738 1.00 0.00 C ATOM 1321 CE LYS A 70 1.606 10.092 5.139 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.566 11.510 4.706 1.00 0.00 N ATOM 0 H LYS A 70 3.677 5.891 7.736 1.00 0.00 H new ATOM 0 HA LYS A 70 3.196 8.563 8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.778 6.656 6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.224 8.290 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.071 7.916 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.798 7.677 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.114 10.222 6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.767 10.019 5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.389 9.448 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.823 9.918 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.804 11.639 4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.389 12.120 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.477 11.767 4.275 1.00 0.00 H new ATOM 1336 N ARG A 71 1.617 6.152 10.131 1.00 0.00 N ATOM 1337 CA ARG A 71 0.599 5.661 11.086 1.00 0.00 C ATOM 1338 C ARG A 71 -0.847 5.831 10.584 1.00 0.00 C ATOM 1339 O ARG A 71 -1.710 6.351 11.292 1.00 0.00 O ATOM 1340 CB ARG A 71 0.825 6.197 12.519 1.00 0.00 C ATOM 1341 CG ARG A 71 2.144 5.751 13.178 1.00 0.00 C ATOM 1342 CD ARG A 71 3.332 6.686 12.909 1.00 0.00 C ATOM 1343 NE ARG A 71 3.149 8.001 13.560 1.00 0.00 N ATOM 1344 CZ ARG A 71 3.541 9.185 13.121 1.00 0.00 C ATOM 1345 NH1 ARG A 71 4.217 9.348 12.019 1.00 0.00 N ATOM 1346 NH2 ARG A 71 3.258 10.257 13.805 1.00 0.00 N ATOM 0 H ARG A 71 2.331 5.448 9.944 1.00 0.00 H new ATOM 0 HA ARG A 71 0.742 4.582 11.147 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.800 7.286 12.492 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.005 5.874 13.147 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.992 5.677 14.255 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.395 4.752 12.822 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.249 6.224 13.274 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.450 6.825 11.834 1.00 0.00 H new ATOM 0 HE ARG A 71 2.661 7.994 14.456 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.468 8.539 11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.495 10.284 11.725 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.735 10.182 14.677 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.560 11.171 13.468 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.107 5.414 9.339 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.426 5.552 8.689 1.00 0.00 C ATOM 1362 C LEU A 72 -3.471 4.524 9.164 1.00 0.00 C ATOM 1363 O LEU A 72 -4.645 4.631 8.811 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.281 5.526 7.153 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.337 6.587 6.575 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.199 6.418 5.064 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.824 8.004 6.867 1.00 0.00 C ATOM 0 H LEU A 72 -0.407 4.968 8.746 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.812 6.523 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.924 4.541 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.267 5.657 6.707 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.370 6.443 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.525 7.180 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.796 5.430 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.177 6.523 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.126 8.724 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.810 8.148 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.884 8.153 7.945 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.075 3.529 9.960 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.004 2.595 10.599 1.00 0.00 C ATOM 1381 C TYR A 73 -4.972 3.212 11.628 1.00 0.00 C ATOM 1382 O TYR A 73 -4.614 4.167 12.321 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.304 1.328 11.111 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.030 1.585 11.898 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -0.793 1.732 11.238 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -2.093 1.685 13.302 1.00 0.00 C ATOM 1387 CE1 TYR A 73 0.375 1.985 11.982 1.00 0.00 C ATOM 1388 CE2 TYR A 73 -0.925 1.932 14.049 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.313 2.086 13.389 1.00 0.00 C ATOM 1390 OH TYR A 73 1.450 2.323 14.099 1.00 0.00 O ATOM 0 H TYR A 73 -2.096 3.348 10.181 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.667 2.290 9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.999 0.774 11.741 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.067 0.690 10.260 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.741 1.651 10.162 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.041 1.572 13.807 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.321 2.102 11.475 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.977 2.003 15.125 1.00 0.00 H new ATOM 0 HH TYR A 73 1.236 2.365 15.054 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.186 2.670 11.758 1.00 0.00 N ATOM 1401 CA ASP A 74 -7.124 3.050 12.821 1.00 0.00 C ATOM 1402 C ASP A 74 -6.571 2.788 14.238 1.00 0.00 C ATOM 1403 O ASP A 74 -6.084 1.693 14.524 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.518 2.447 12.566 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.515 2.542 13.731 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.438 3.482 14.553 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.405 1.668 13.816 1.00 0.00 O ATOM 0 H ASP A 74 -6.548 1.954 11.128 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.246 4.133 12.784 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.954 2.943 11.699 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.395 1.396 12.303 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.648 3.777 15.134 1.00 0.00 N ATOM 1413 CA GLU A 75 -6.208 3.646 16.530 1.00 0.00 C ATOM 1414 C GLU A 75 -6.950 2.536 17.300 1.00 0.00 C ATOM 1415 O GLU A 75 -6.378 1.962 18.230 1.00 0.00 O ATOM 1416 CB GLU A 75 -6.330 4.999 17.255 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.765 5.544 17.379 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.847 6.922 18.076 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.826 7.444 18.588 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.961 7.499 18.122 1.00 0.00 O ATOM 0 H GLU A 75 -7.021 4.700 14.910 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.161 3.344 16.505 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.908 4.898 18.255 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.723 5.734 16.726 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.202 5.623 16.383 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.370 4.828 17.936 1.00 0.00 H new ATOM 1427 N LYS A 76 -8.185 2.195 16.897 1.00 0.00 N ATOM 1428 CA LYS A 76 -8.941 1.036 17.400 1.00 0.00 C ATOM 1429 C LYS A 76 -8.620 -0.240 16.611 1.00 0.00 C ATOM 1430 O LYS A 76 -7.984 -1.143 17.157 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.453 1.336 17.441 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.844 2.602 18.228 1.00 0.00 C ATOM 1433 CD LYS A 76 -10.360 2.650 19.690 1.00 0.00 C ATOM 1434 CE LYS A 76 -10.848 1.484 20.566 1.00 0.00 C ATOM 1435 NZ LYS A 76 -12.324 1.500 20.764 1.00 0.00 N ATOM 0 H LYS A 76 -8.698 2.730 16.196 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.622 0.850 18.426 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.816 1.435 16.418 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.966 0.480 17.880 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.448 3.472 17.704 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.930 2.693 18.220 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.270 2.661 19.698 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.692 3.587 20.138 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.556 0.540 20.105 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.354 1.531 21.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.603 0.695 21.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.602 2.388 21.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.799 1.428 19.842 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.028 -0.333 15.342 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.823 -1.521 14.507 1.00 0.00 C ATOM 1451 C GLN A 77 -7.477 -1.462 13.769 1.00 0.00 C ATOM 1452 O GLN A 77 -7.351 -0.844 12.711 1.00 0.00 O ATOM 1453 CB GLN A 77 -9.997 -1.703 13.526 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.380 -1.827 14.192 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.522 -2.993 15.174 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -10.768 -3.958 15.179 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -12.509 -2.959 16.044 1.00 0.00 N ATOM 0 H GLN A 77 -9.515 0.422 14.860 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.792 -2.393 15.161 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.014 -0.856 12.840 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.816 -2.595 12.926 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.597 -0.898 14.720 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.134 -1.934 13.412 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.149 -2.165 16.058 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.634 -3.726 16.704 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.466 -2.162 14.294 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.093 -2.133 13.755 1.00 0.00 C ATOM 1468 C GLN A 78 -5.007 -2.722 12.330 1.00 0.00 C ATOM 1469 O GLN A 78 -4.061 -2.447 11.594 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.149 -2.899 14.705 1.00 0.00 C ATOM 1471 CG GLN A 78 -4.289 -2.538 16.198 1.00 0.00 C ATOM 1472 CD GLN A 78 -4.203 -1.041 16.491 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -3.243 -0.361 16.153 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -5.185 -0.486 17.167 1.00 0.00 N ATOM 0 H GLN A 78 -6.572 -2.768 15.107 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.787 -1.089 13.687 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.329 -3.968 14.587 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.120 -2.713 14.397 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.245 -2.914 16.563 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.509 -3.052 16.759 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.988 -1.046 17.452 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.143 0.505 17.406 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.008 -3.519 11.936 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.149 -4.143 10.620 1.00 0.00 C ATOM 1485 C HIS A 79 -6.916 -3.283 9.589 1.00 0.00 C ATOM 1486 O HIS A 79 -7.272 -3.795 8.530 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.793 -5.528 10.802 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.256 -5.513 11.177 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -8.787 -5.510 12.450 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.311 -5.553 10.304 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.127 -5.541 12.342 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.497 -5.566 11.050 1.00 0.00 N ATOM 0 H HIS A 79 -6.779 -3.756 12.560 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.151 -4.243 10.192 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.678 -6.089 9.875 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.243 -6.069 11.572 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.241 -5.571 9.226 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -10.811 -5.545 13.178 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.450 -5.590 10.686 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.203 -2.004 9.865 1.00 0.00 N ATOM 1501 CA ILE A 80 -7.925 -1.088 8.956 1.00 0.00 C ATOM 1502 C ILE A 80 -7.100 0.186 8.735 1.00 0.00 C ATOM 1503 O ILE A 80 -6.558 0.742 9.690 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.350 -0.782 9.488 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.133 -2.093 9.743 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.123 0.129 8.514 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.585 -1.908 10.202 1.00 0.00 C ATOM 0 H ILE A 80 -6.936 -1.562 10.745 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.053 -1.574 7.989 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.246 -0.252 10.435 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.131 -2.683 8.826 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.602 -2.674 10.497 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.118 0.327 8.913 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.587 1.070 8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.211 -0.365 7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.046 -2.884 10.353 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.602 -1.350 11.138 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.140 -1.359 9.441 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.010 0.657 7.487 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.265 1.861 7.067 1.00 0.00 C ATOM 1521 C VAL A 81 -7.179 3.010 6.640 1.00 0.00 C ATOM 1522 O VAL A 81 -8.170 2.778 5.949 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.199 1.558 5.988 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.140 2.663 5.892 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.460 0.238 6.237 1.00 0.00 C ATOM 0 H VAL A 81 -7.472 0.194 6.704 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.734 2.195 7.958 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.763 1.493 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.414 2.405 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.621 3.607 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.631 2.764 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.725 0.078 5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.954 0.281 7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.175 -0.585 6.238 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.827 4.241 7.019 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.490 5.499 6.662 1.00 0.00 C ATOM 1537 C TYR A 82 -6.580 6.522 5.964 1.00 0.00 C ATOM 1538 O TYR A 82 -5.531 6.879 6.503 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.194 6.117 7.880 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.472 5.426 8.316 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.406 4.263 9.108 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.726 5.964 7.963 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.588 3.630 9.538 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.911 5.330 8.386 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.845 4.159 9.174 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.996 3.557 9.583 1.00 0.00 O ATOM 0 H TYR A 82 -6.019 4.396 7.622 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.240 5.231 5.918 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.498 6.118 8.719 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.423 7.159 7.655 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.445 3.855 9.386 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.779 6.863 7.367 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.533 2.739 10.147 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.871 5.739 8.108 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.766 4.057 9.241 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.969 7.021 4.788 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.219 8.032 4.044 1.00 0.00 C ATOM 1558 C CYS A 83 -7.143 8.764 3.052 1.00 0.00 C ATOM 1559 O CYS A 83 -7.527 8.219 2.015 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.044 7.354 3.320 1.00 0.00 C ATOM 1561 SG CYS A 83 -3.978 8.629 2.593 1.00 0.00 S ATOM 0 H CYS A 83 -7.827 6.729 4.320 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.823 8.779 4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.474 6.742 4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.416 6.687 2.542 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.742 8.405 2.929 1.00 0.00 H new ATOM 1567 N SER A 84 -7.486 10.011 3.373 1.00 0.00 N ATOM 1568 CA SER A 84 -8.174 10.964 2.488 1.00 0.00 C ATOM 1569 C SER A 84 -7.348 12.244 2.284 1.00 0.00 C ATOM 1570 O SER A 84 -6.560 12.634 3.151 1.00 0.00 O ATOM 1571 CB SER A 84 -9.584 11.269 3.014 1.00 0.00 C ATOM 1572 OG SER A 84 -9.541 11.872 4.298 1.00 0.00 O ATOM 0 H SER A 84 -7.286 10.405 4.292 1.00 0.00 H new ATOM 0 HA SER A 84 -8.279 10.500 1.507 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.098 11.931 2.317 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.163 10.347 3.063 1.00 0.00 H new ATOM 0 HG SER A 84 -10.454 12.055 4.604 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.520 12.896 1.126 1.00 0.00 N ATOM 1579 CA ASN A 85 -6.842 14.146 0.732 1.00 0.00 C ATOM 1580 C ASN A 85 -5.291 14.097 0.769 1.00 0.00 C ATOM 1581 O ASN A 85 -4.630 15.127 0.927 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.456 15.342 1.497 1.00 0.00 C ATOM 1583 CG ASN A 85 -8.948 15.526 1.257 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.487 15.241 0.196 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -9.664 16.058 2.224 1.00 0.00 N ATOM 0 H ASN A 85 -8.160 12.557 0.408 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.035 14.289 -0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.284 15.205 2.565 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.936 16.254 1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.660 16.230 2.086 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.223 16.299 3.112 1.00 0.00 H new ATOM 1592 N ASP A 86 -4.699 12.907 0.624 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.245 12.667 0.595 1.00 0.00 C ATOM 1594 C ASP A 86 -2.947 11.533 -0.420 1.00 0.00 C ATOM 1595 O ASP A 86 -3.862 10.852 -0.899 1.00 0.00 O ATOM 1596 CB ASP A 86 -2.781 12.330 2.027 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.259 12.396 2.248 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.507 12.815 1.337 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -0.808 12.048 3.366 1.00 0.00 O ATOM 0 H ASP A 86 -5.238 12.047 0.519 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.693 13.548 0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.264 13.018 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.127 11.327 2.279 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.669 11.331 -0.757 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.198 10.489 -1.866 1.00 0.00 C ATOM 1606 C LEU A 87 -1.801 9.073 -1.901 1.00 0.00 C ATOM 1607 O LEU A 87 -2.328 8.666 -2.935 1.00 0.00 O ATOM 1608 CB LEU A 87 0.346 10.469 -1.851 1.00 0.00 C ATOM 1609 CG LEU A 87 0.997 9.628 -2.968 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.636 10.121 -4.368 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.520 9.683 -2.847 1.00 0.00 C ATOM 0 H LEU A 87 -0.902 11.767 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.557 10.938 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.709 11.494 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.680 10.086 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 87 0.618 8.614 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.123 9.491 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.445 10.073 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.972 11.151 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.970 9.086 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.855 10.716 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.823 9.286 -1.878 1.00 0.00 H new ATOM 1623 N LEU A 88 -1.768 8.321 -0.796 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.244 6.930 -0.791 1.00 0.00 C ATOM 1625 C LEU A 88 -3.760 6.799 -1.047 1.00 0.00 C ATOM 1626 O LEU A 88 -4.196 5.865 -1.722 1.00 0.00 O ATOM 1627 CB LEU A 88 -1.811 6.250 0.517 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.223 4.772 0.607 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.567 3.954 -0.507 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -1.811 4.202 1.961 1.00 0.00 C ATOM 0 H LEU A 88 -1.418 8.649 0.104 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.780 6.414 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.728 6.323 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.243 6.791 1.359 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.306 4.712 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.874 2.912 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.876 4.345 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.483 4.021 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.105 3.154 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.730 4.282 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.303 4.762 2.756 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.554 7.761 -0.574 1.00 0.00 N ATOM 1643 CA GLY A 89 -5.979 7.870 -0.900 1.00 0.00 C ATOM 1644 C GLY A 89 -6.233 8.082 -2.399 1.00 0.00 C ATOM 1645 O GLY A 89 -7.193 7.535 -2.945 1.00 0.00 O ATOM 0 H GLY A 89 -4.223 8.495 0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.492 6.965 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.412 8.700 -0.342 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.339 8.797 -3.090 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.356 8.938 -4.551 1.00 0.00 C ATOM 1651 C ASP A 90 -4.950 7.684 -5.346 1.00 0.00 C ATOM 1652 O ASP A 90 -5.476 7.454 -6.438 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.590 10.194 -5.009 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.312 11.533 -4.756 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.517 11.558 -4.403 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.668 12.592 -4.952 1.00 0.00 O ATOM 0 H ASP A 90 -4.572 9.301 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.409 9.068 -4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.626 10.218 -4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.385 10.106 -6.076 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.069 6.838 -4.792 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.766 5.513 -5.343 1.00 0.00 C ATOM 1663 C LEU A 91 -4.953 4.551 -5.191 1.00 0.00 C ATOM 1664 O LEU A 91 -5.429 4.006 -6.189 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.515 4.914 -4.664 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.142 5.319 -5.223 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -1.050 5.139 -6.739 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.735 6.741 -4.863 1.00 0.00 C ATOM 0 H LEU A 91 -3.545 7.057 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.569 5.642 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.542 5.186 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.592 3.828 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.443 4.636 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.060 5.440 -7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.219 4.092 -6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.805 5.757 -7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.244 6.958 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.469 7.441 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.688 6.843 -3.779 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.437 4.335 -3.962 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.554 3.423 -3.700 1.00 0.00 C ATOM 1682 C PHE A 92 -7.946 3.842 -4.201 1.00 0.00 C ATOM 1683 O PHE A 92 -8.793 2.990 -4.469 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.547 2.912 -2.249 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.541 1.815 -1.940 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.608 0.585 -2.624 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.580 1.986 -0.927 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.718 -0.459 -2.312 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.701 0.936 -0.599 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.765 -0.282 -1.295 1.00 0.00 C ATOM 0 H PHE A 92 -5.067 4.786 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.346 2.579 -4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.351 3.756 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.544 2.543 -2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.350 0.442 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.516 2.926 -0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.767 -1.393 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.976 1.068 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.082 -1.082 -1.049 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.191 5.149 -4.348 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.478 5.696 -4.799 1.00 0.00 C ATOM 1702 C GLY A 93 -10.607 5.604 -3.760 1.00 0.00 C ATOM 1703 O GLY A 93 -11.780 5.740 -4.114 1.00 0.00 O ATOM 0 H GLY A 93 -7.493 5.867 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.338 6.741 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.787 5.168 -5.701 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.267 5.367 -2.487 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.195 5.225 -1.348 1.00 0.00 C ATOM 1709 C VAL A 94 -10.589 5.915 -0.114 1.00 0.00 C ATOM 1710 O VAL A 94 -9.363 5.960 0.023 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.465 3.743 -0.994 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.457 3.112 -1.972 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.212 2.859 -0.931 1.00 0.00 C ATOM 0 H VAL A 94 -9.292 5.263 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.140 5.685 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.881 3.781 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.626 2.071 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.401 3.656 -1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.052 3.159 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.499 1.839 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.713 2.865 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.532 3.245 -0.171 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.425 6.427 0.813 1.00 0.00 N ATOM 1724 CA PRO A 95 -10.969 7.055 2.057 1.00 0.00 C ATOM 1725 C PRO A 95 -10.405 6.049 3.076 1.00 0.00 C ATOM 1726 O PRO A 95 -9.644 6.439 3.964 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.211 7.760 2.614 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.365 6.890 2.114 1.00 0.00 C ATOM 1729 CD PRO A 95 -12.882 6.457 0.735 1.00 0.00 C ATOM 0 HA PRO A 95 -10.141 7.737 1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.189 7.812 3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.291 8.783 2.247 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.542 6.036 2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.299 7.448 2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.279 5.477 0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.218 7.154 -0.033 1.00 0.00 H new ATOM 1737 N SER A 96 -10.771 4.766 2.978 1.00 0.00 N ATOM 1738 CA SER A 96 -10.354 3.700 3.898 1.00 0.00 C ATOM 1739 C SER A 96 -10.530 2.295 3.303 1.00 0.00 C ATOM 1740 O SER A 96 -11.290 2.108 2.347 1.00 0.00 O ATOM 1741 CB SER A 96 -11.142 3.802 5.214 1.00 0.00 C ATOM 1742 OG SER A 96 -12.536 3.625 5.004 1.00 0.00 O ATOM 0 H SER A 96 -11.384 4.430 2.235 1.00 0.00 H new ATOM 0 HA SER A 96 -9.289 3.843 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.781 3.049 5.914 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.963 4.775 5.671 1.00 0.00 H new ATOM 0 HG SER A 96 -13.007 3.694 5.861 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.838 1.299 3.870 1.00 0.00 N ATOM 1749 CA PHE A 97 -9.988 -0.121 3.511 1.00 0.00 C ATOM 1750 C PHE A 97 -9.516 -1.026 4.674 1.00 0.00 C ATOM 1751 O PHE A 97 -8.683 -0.629 5.492 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.176 -0.416 2.231 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.667 -0.336 2.387 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -6.976 -1.453 2.882 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -6.951 0.832 2.059 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.589 -1.407 3.081 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.555 0.877 2.248 1.00 0.00 C ATOM 1758 CZ PHE A 97 -4.874 -0.247 2.758 1.00 0.00 C ATOM 0 H PHE A 97 -9.147 1.457 4.603 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.040 -0.334 3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.436 -1.414 1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.482 0.287 1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.519 -2.358 3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.471 1.692 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.072 -2.266 3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.006 1.774 2.002 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.804 -0.214 2.899 1.00 0.00 H new ATOM 1768 N SER A 98 -10.019 -2.266 4.732 1.00 0.00 N ATOM 1769 CA SER A 98 -9.526 -3.318 5.643 1.00 0.00 C ATOM 1770 C SER A 98 -8.362 -4.110 5.036 1.00 0.00 C ATOM 1771 O SER A 98 -8.475 -4.645 3.932 1.00 0.00 O ATOM 1772 CB SER A 98 -10.661 -4.272 6.028 1.00 0.00 C ATOM 1773 OG SER A 98 -10.155 -5.376 6.764 1.00 0.00 O ATOM 0 H SER A 98 -10.791 -2.575 4.141 1.00 0.00 H new ATOM 0 HA SER A 98 -9.155 -2.817 6.537 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.404 -3.741 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.166 -4.627 5.130 1.00 0.00 H new ATOM 0 HG SER A 98 -10.893 -5.975 7.004 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.258 -4.232 5.780 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.081 -5.053 5.442 1.00 0.00 C ATOM 1781 C VAL A 99 -6.406 -6.545 5.382 1.00 0.00 C ATOM 1782 O VAL A 99 -5.888 -7.254 4.519 1.00 0.00 O ATOM 1783 CB VAL A 99 -4.914 -4.797 6.413 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.628 -5.496 5.969 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.580 -3.309 6.567 1.00 0.00 C ATOM 0 H VAL A 99 -7.151 -3.744 6.670 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.773 -4.745 4.443 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.262 -5.200 7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.834 -5.286 6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.797 -6.572 5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.336 -5.129 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.750 -3.193 7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.301 -2.897 5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.452 -2.778 6.950 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.282 -7.022 6.277 1.00 0.00 N ATOM 1796 CA LYS A 100 -7.680 -8.438 6.385 1.00 0.00 C ATOM 1797 C LYS A 100 -8.567 -8.903 5.221 1.00 0.00 C ATOM 1798 O LYS A 100 -8.563 -10.082 4.870 1.00 0.00 O ATOM 1799 CB LYS A 100 -8.349 -8.642 7.758 1.00 0.00 C ATOM 1800 CG LYS A 100 -8.729 -10.092 8.107 1.00 0.00 C ATOM 1801 CD LYS A 100 -7.542 -11.072 8.043 1.00 0.00 C ATOM 1802 CE LYS A 100 -7.884 -12.468 8.580 1.00 0.00 C ATOM 1803 NZ LYS A 100 -8.161 -12.488 10.042 1.00 0.00 N ATOM 0 H LYS A 100 -7.745 -6.424 6.962 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.792 -9.066 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.676 -8.267 8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.250 -8.030 7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.156 -10.116 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.506 -10.430 7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.206 -11.159 7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.710 -10.663 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.755 -12.851 8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.057 -13.144 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.284 -13.471 10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.364 -12.057 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.029 -11.950 10.238 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.280 -7.983 4.573 1.00 0.00 N ATOM 1818 CA GLU A 101 -10.052 -8.219 3.341 1.00 0.00 C ATOM 1819 C GLU A 101 -9.134 -8.272 2.098 1.00 0.00 C ATOM 1820 O GLU A 101 -9.303 -7.517 1.137 1.00 0.00 O ATOM 1821 CB GLU A 101 -11.190 -7.182 3.232 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.240 -7.381 4.343 1.00 0.00 C ATOM 1823 CD GLU A 101 -13.391 -6.352 4.324 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -13.301 -5.309 3.633 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -14.407 -6.584 5.024 1.00 0.00 O ATOM 0 H GLU A 101 -9.342 -7.018 4.897 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.521 -9.202 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.775 -6.176 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.669 -7.267 2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.662 -8.382 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.741 -7.332 5.311 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.141 -9.174 2.120 1.00 0.00 N ATOM 1833 CA HIS A 102 -7.025 -9.236 1.164 1.00 0.00 C ATOM 1834 C HIS A 102 -7.455 -9.196 -0.317 1.00 0.00 C ATOM 1835 O HIS A 102 -6.845 -8.481 -1.112 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.187 -10.503 1.417 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.700 -10.754 2.828 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -5.183 -9.833 3.712 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -5.419 -11.989 3.351 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.637 -10.490 4.746 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -4.766 -11.816 4.578 1.00 0.00 N ATOM 0 H HIS A 102 -8.091 -9.906 2.829 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.436 -8.335 1.338 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.780 -11.364 1.109 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.316 -10.465 0.763 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -5.211 -8.820 3.599 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -5.661 -12.937 2.894 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.161 -10.019 5.594 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.546 -9.893 -0.681 1.00 0.00 N ATOM 1850 CA ARG A 103 -9.134 -9.914 -2.040 1.00 0.00 C ATOM 1851 C ARG A 103 -9.371 -8.522 -2.643 1.00 0.00 C ATOM 1852 O ARG A 103 -9.064 -8.293 -3.814 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.433 -10.757 -2.060 1.00 0.00 C ATOM 1854 CG ARG A 103 -11.396 -10.511 -0.878 1.00 0.00 C ATOM 1855 CD ARG A 103 -12.825 -11.002 -1.149 1.00 0.00 C ATOM 1856 NE ARG A 103 -13.610 -10.010 -1.914 1.00 0.00 N ATOM 1857 CZ ARG A 103 -14.928 -9.898 -1.942 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -15.736 -10.741 -1.376 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -15.513 -8.911 -2.553 1.00 0.00 N ATOM 0 H ARG A 103 -9.061 -10.476 -0.021 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.388 -10.385 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.965 -10.553 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.162 -11.813 -2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.008 -11.013 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.422 -9.444 -0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.788 -11.941 -1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.324 -11.209 -0.202 1.00 0.00 H new ATOM 0 HE ARG A 103 -13.082 -9.344 -2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -15.363 -11.546 -0.873 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -16.744 -10.598 -1.434 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -14.954 -8.200 -3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.531 -8.847 -2.560 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.879 -7.583 -1.838 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.170 -6.200 -2.248 1.00 0.00 C ATOM 1875 C LYS A 104 -8.898 -5.366 -2.427 1.00 0.00 C ATOM 1876 O LYS A 104 -8.850 -4.507 -3.302 1.00 0.00 O ATOM 1877 CB LYS A 104 -11.148 -5.603 -1.224 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.536 -4.140 -1.504 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.794 -3.710 -0.729 1.00 0.00 C ATOM 1880 CE LYS A 104 -12.643 -3.951 0.778 1.00 0.00 C ATOM 1881 NZ LYS A 104 -13.894 -3.658 1.521 1.00 0.00 N ATOM 0 H LYS A 104 -10.105 -7.765 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.636 -6.192 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.053 -6.210 -1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.701 -5.666 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.705 -3.488 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.708 -4.010 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.990 -2.653 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.657 -4.262 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.354 -4.988 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.838 -3.327 1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.982 -4.313 2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.868 -2.680 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.710 -3.776 0.887 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.842 -5.652 -1.663 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.522 -5.035 -1.860 1.00 0.00 C ATOM 1897 C ILE A 105 -5.849 -5.581 -3.122 1.00 0.00 C ATOM 1898 O ILE A 105 -5.377 -4.790 -3.936 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.645 -5.182 -0.598 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.269 -4.343 0.536 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.194 -4.722 -0.848 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.700 -4.664 1.914 1.00 0.00 C ATOM 0 H ILE A 105 -7.874 -6.317 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.657 -3.965 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.609 -6.236 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.111 -3.286 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.346 -4.508 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.612 -4.842 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.753 -5.325 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.191 -3.673 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.184 -4.037 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.881 -5.713 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.627 -4.471 1.919 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.854 -6.900 -3.342 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.192 -7.515 -4.500 1.00 0.00 C ATOM 1916 C TYR A 106 -5.652 -6.973 -5.858 1.00 0.00 C ATOM 1917 O TYR A 106 -4.826 -6.606 -6.693 1.00 0.00 O ATOM 1918 CB TYR A 106 -5.319 -9.045 -4.469 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.646 -9.769 -3.316 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.364 -9.398 -2.857 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.318 -10.850 -2.712 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.776 -10.080 -1.773 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.725 -11.551 -1.648 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.459 -11.159 -1.170 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.904 -11.835 -0.134 1.00 0.00 O ATOM 0 H TYR A 106 -6.315 -7.570 -2.726 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.144 -7.233 -4.403 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.379 -9.297 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.911 -9.438 -5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.833 -8.590 -3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -6.295 -11.142 -3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.807 -9.779 -1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.238 -12.388 -1.198 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.959 -11.590 -0.052 1.00 0.00 H new ATOM 1935 N THR A 107 -6.970 -6.846 -6.056 1.00 0.00 N ATOM 1936 CA THR A 107 -7.543 -6.231 -7.266 1.00 0.00 C ATOM 1937 C THR A 107 -7.159 -4.762 -7.482 1.00 0.00 C ATOM 1938 O THR A 107 -6.896 -4.357 -8.616 1.00 0.00 O ATOM 1939 CB THR A 107 -9.060 -6.468 -7.343 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.527 -6.304 -8.663 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.862 -5.511 -6.472 1.00 0.00 C ATOM 0 H THR A 107 -7.670 -7.165 -5.386 1.00 0.00 H new ATOM 0 HA THR A 107 -7.079 -6.746 -8.107 1.00 0.00 H new ATOM 0 HB THR A 107 -9.206 -7.488 -6.987 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.494 -6.461 -8.690 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.925 -5.732 -6.572 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.563 -5.630 -5.430 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.673 -4.485 -6.789 1.00 0.00 H new ATOM 1949 N MET A 108 -7.079 -3.967 -6.408 1.00 0.00 N ATOM 1950 CA MET A 108 -6.660 -2.562 -6.474 1.00 0.00 C ATOM 1951 C MET A 108 -5.156 -2.422 -6.735 1.00 0.00 C ATOM 1952 O MET A 108 -4.759 -1.636 -7.593 1.00 0.00 O ATOM 1953 CB MET A 108 -7.054 -1.808 -5.193 1.00 0.00 C ATOM 1954 CG MET A 108 -8.572 -1.629 -5.056 1.00 0.00 C ATOM 1955 SD MET A 108 -9.103 -0.457 -3.768 1.00 0.00 S ATOM 1956 CE MET A 108 -8.550 -1.274 -2.243 1.00 0.00 C ATOM 0 H MET A 108 -7.304 -4.282 -5.464 1.00 0.00 H new ATOM 0 HA MET A 108 -7.184 -2.114 -7.318 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.676 -2.350 -4.326 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.575 -0.829 -5.190 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.970 -1.295 -6.014 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.019 -2.601 -4.846 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.702 -0.605 -1.396 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.124 -2.188 -2.091 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.491 -1.520 -2.325 1.00 0.00 H new ATOM 1966 N MET A 109 -4.321 -3.223 -6.065 1.00 0.00 N ATOM 1967 CA MET A 109 -2.866 -3.243 -6.265 1.00 0.00 C ATOM 1968 C MET A 109 -2.495 -3.688 -7.681 1.00 0.00 C ATOM 1969 O MET A 109 -1.627 -3.084 -8.310 1.00 0.00 O ATOM 1970 CB MET A 109 -2.194 -4.169 -5.234 1.00 0.00 C ATOM 1971 CG MET A 109 -2.238 -3.614 -3.804 1.00 0.00 C ATOM 1972 SD MET A 109 -1.439 -2.007 -3.543 1.00 0.00 S ATOM 1973 CE MET A 109 0.293 -2.397 -3.909 1.00 0.00 C ATOM 0 H MET A 109 -4.640 -3.886 -5.358 1.00 0.00 H new ATOM 0 HA MET A 109 -2.504 -2.224 -6.126 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.685 -5.142 -5.255 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.155 -4.330 -5.523 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.282 -3.531 -3.501 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.770 -4.341 -3.140 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.919 -2.095 -3.070 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.398 -3.470 -4.072 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.605 -1.862 -4.806 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.199 -4.687 -8.221 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.042 -5.112 -9.609 1.00 0.00 C ATOM 1985 C ALA A 110 -3.462 -4.008 -10.600 1.00 0.00 C ATOM 1986 O ALA A 110 -2.799 -3.804 -11.616 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.858 -6.392 -9.801 1.00 0.00 C ATOM 0 H ALA A 110 -3.895 -5.223 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.991 -5.308 -9.819 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.760 -6.735 -10.831 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.489 -7.164 -9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.907 -6.191 -9.584 1.00 0.00 H new ATOM 1993 N SER A 111 -4.512 -3.241 -10.289 1.00 0.00 N ATOM 1994 CA SER A 111 -4.976 -2.116 -11.119 1.00 0.00 C ATOM 1995 C SER A 111 -4.049 -0.886 -11.122 1.00 0.00 C ATOM 1996 O SER A 111 -4.208 -0.006 -11.967 1.00 0.00 O ATOM 1997 CB SER A 111 -6.405 -1.718 -10.732 1.00 0.00 C ATOM 1998 OG SER A 111 -7.296 -2.789 -11.007 1.00 0.00 O ATOM 0 H SER A 111 -5.071 -3.382 -9.448 1.00 0.00 H new ATOM 0 HA SER A 111 -4.957 -2.487 -12.144 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.446 -1.462 -9.673 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.708 -0.830 -11.287 1.00 0.00 H new ATOM 0 HG SER A 111 -7.263 -3.438 -10.274 1.00 0.00 H new ATOM 2004 N MET A 112 -3.054 -0.821 -10.226 1.00 0.00 N ATOM 2005 CA MET A 112 -1.972 0.182 -10.258 1.00 0.00 C ATOM 2006 C MET A 112 -0.792 -0.207 -11.175 1.00 0.00 C ATOM 2007 O MET A 112 0.150 0.574 -11.328 1.00 0.00 O ATOM 2008 CB MET A 112 -1.457 0.461 -8.837 1.00 0.00 C ATOM 2009 CG MET A 112 -2.525 1.000 -7.881 1.00 0.00 C ATOM 2010 SD MET A 112 -1.917 1.241 -6.190 1.00 0.00 S ATOM 2011 CE MET A 112 -3.468 1.073 -5.271 1.00 0.00 C ATOM 0 H MET A 112 -2.974 -1.473 -9.445 1.00 0.00 H new ATOM 0 HA MET A 112 -2.412 1.084 -10.682 1.00 0.00 H new ATOM 0 HB2 MET A 112 -1.046 -0.460 -8.424 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.639 1.179 -8.893 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.900 1.949 -8.264 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.368 0.309 -7.862 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.314 1.385 -4.238 1.00 0.00 H new ATOM 0 HE2 MET A 112 -4.232 1.700 -5.730 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.792 0.033 -5.291 1.00 0.00 H new ATOM 2021 N THR A 113 -0.809 -1.410 -11.769 1.00 0.00 N ATOM 2022 CA THR A 113 0.277 -1.957 -12.613 1.00 0.00 C ATOM 2023 C THR A 113 -0.155 -2.589 -13.944 1.00 0.00 C ATOM 2024 O THR A 113 0.516 -2.400 -14.962 1.00 0.00 O ATOM 2025 CB THR A 113 1.263 -2.846 -11.822 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.834 -4.190 -11.842 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.450 -2.460 -10.349 1.00 0.00 C ATOM 0 H THR A 113 -1.597 -2.050 -11.676 1.00 0.00 H new ATOM 0 HA THR A 113 0.822 -1.065 -12.924 1.00 0.00 H new ATOM 0 HB THR A 113 2.218 -2.700 -12.327 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.468 -4.743 -11.339 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.160 -3.142 -9.881 1.00 0.00 H new ATOM 0 HG22 THR A 113 1.831 -1.441 -10.286 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.492 -2.522 -9.832 1.00 0.00 H new