USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 951 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 101 GLN : amide:sc= -0.321 X(o=0.036,f=-0.22) USER MOD Set 1.2: A 106 THR OG1 : rot 180:sc= 0.356 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 144:sc= 1.03 (180deg=0.147) USER MOD Set 2.2: A 35 THR OG1 : rot 96:sc= 0.522 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.118 (180deg=-1.15) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc=-0.00667 USER MOD Single : A 5 THR OG1 : rot -110:sc= -0.849 USER MOD Single : A 12 ASN : amide:sc= -0.322 K(o=-0.32,f=-3.3!) USER MOD Single : A 17 SER OG : rot 44:sc= 0.323 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -111:sc= -0.26 (180deg=-2.29!) USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0639) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -120:sc= -0.779 (180deg=-1.27) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 49 TYR OH : rot 15:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.3! C(o=-2.3!,f=-9.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= -2.06! (180deg=-3.31!) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.056) USER MOD Single : A 85 CYS SG : rot 130:sc= -2.45! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -141:sc= -0.0221 (180deg=-0.0895) USER MOD Single : A 90 ASN : amide:sc= 0.159 X(o=0.16,f=-0.16) USER MOD Single : A 97 MET CE :methyl -111:sc= -0.831 (180deg=-2.95!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.054) USER MOD Single : A 120 LYS NZ :NH3+ -164:sc= 2.04 (180deg=1.61) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 149:sc= 0.0521 (180deg=-0.536) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.944 0.220 -1.459 1.00 54.25 N ATOM 2 CA MET A 1 -12.598 -0.411 -1.333 1.00 31.42 C ATOM 3 C MET A 1 -12.216 -1.108 -2.661 1.00 62.24 C ATOM 4 O MET A 1 -12.948 -1.983 -3.131 1.00 51.34 O ATOM 5 CB MET A 1 -12.620 -1.427 -0.159 1.00 0.32 C ATOM 6 CG MET A 1 -11.265 -2.021 0.227 1.00 50.12 C ATOM 7 SD MET A 1 -10.095 -0.779 0.812 1.00 63.32 S ATOM 8 CE MET A 1 -8.826 -1.808 1.553 1.00 0.42 C ATOM 0 H1 MET A 1 -14.194 0.686 -0.564 1.00 54.25 H new ATOM 0 H2 MET A 1 -13.927 0.925 -2.223 1.00 54.25 H new ATOM 0 H3 MET A 1 -14.651 -0.511 -1.678 1.00 54.25 H new ATOM 0 HA MET A 1 -11.848 0.352 -1.124 1.00 31.42 H new ATOM 0 HB2 MET A 1 -13.043 -0.934 0.716 1.00 0.32 H new ATOM 0 HB3 MET A 1 -13.293 -2.243 -0.421 1.00 0.32 H new ATOM 0 HG2 MET A 1 -11.411 -2.770 1.005 1.00 50.12 H new ATOM 0 HG3 MET A 1 -10.840 -2.535 -0.635 1.00 50.12 H new ATOM 0 HE1 MET A 1 -7.904 -1.235 1.651 1.00 0.42 H new ATOM 0 HE2 MET A 1 -9.154 -2.138 2.539 1.00 0.42 H new ATOM 0 HE3 MET A 1 -8.648 -2.678 0.921 1.00 0.42 H new ATOM 20 N ARG A 2 -11.083 -0.705 -3.266 1.00 41.35 N ATOM 21 CA ARG A 2 -10.612 -1.260 -4.559 1.00 12.04 C ATOM 22 C ARG A 2 -9.785 -2.548 -4.330 1.00 75.53 C ATOM 23 O ARG A 2 -8.794 -2.520 -3.594 1.00 34.24 O ATOM 24 CB ARG A 2 -9.763 -0.201 -5.312 1.00 72.11 C ATOM 25 CG ARG A 2 -10.462 1.161 -5.521 1.00 23.33 C ATOM 26 CD ARG A 2 -11.741 1.074 -6.370 1.00 20.12 C ATOM 27 NE ARG A 2 -12.456 2.365 -6.398 1.00 42.11 N ATOM 28 CZ ARG A 2 -12.791 3.044 -7.471 1.00 21.32 C ATOM 29 NH1 ARG A 2 -12.417 2.663 -8.656 1.00 10.44 N ATOM 30 NH2 ARG A 2 -13.468 4.139 -7.340 1.00 40.13 N ATOM 0 H ARG A 2 -10.468 0.010 -2.879 1.00 41.35 H new ATOM 0 HA ARG A 2 -11.480 -1.515 -5.166 1.00 12.04 H new ATOM 0 HB2 ARG A 2 -8.838 -0.038 -4.759 1.00 72.11 H new ATOM 0 HB3 ARG A 2 -9.485 -0.604 -6.286 1.00 72.11 H new ATOM 0 HG2 ARG A 2 -10.710 1.585 -4.548 1.00 23.33 H new ATOM 0 HG3 ARG A 2 -9.764 1.848 -6.000 1.00 23.33 H new ATOM 0 HD2 ARG A 2 -11.485 0.776 -7.387 1.00 20.12 H new ATOM 0 HD3 ARG A 2 -12.396 0.302 -5.966 1.00 20.12 H new ATOM 0 HE ARG A 2 -12.715 2.768 -5.498 1.00 42.11 H new ATOM 0 HH11 ARG A 2 -11.852 1.821 -8.766 1.00 10.44 H new ATOM 0 HH12 ARG A 2 -12.689 3.206 -9.476 1.00 10.44 H new ATOM 0 HH21 ARG A 2 -13.735 4.465 -6.411 1.00 40.13 H new ATOM 0 HH22 ARG A 2 -13.734 4.676 -8.165 1.00 40.13 H new ATOM 44 N SER A 3 -10.209 -3.664 -4.966 1.00 61.11 N ATOM 45 CA SER A 3 -9.561 -5.001 -4.831 1.00 53.04 C ATOM 46 C SER A 3 -8.077 -4.993 -5.270 1.00 72.40 C ATOM 47 O SER A 3 -7.681 -4.178 -6.103 1.00 23.02 O ATOM 48 CB SER A 3 -10.334 -6.045 -5.667 1.00 75.20 C ATOM 49 OG SER A 3 -9.714 -7.327 -5.617 1.00 43.10 O ATOM 0 H SER A 3 -11.014 -3.669 -5.592 1.00 61.11 H new ATOM 0 HA SER A 3 -9.589 -5.262 -3.773 1.00 53.04 H new ATOM 0 HB2 SER A 3 -11.357 -6.121 -5.298 1.00 75.20 H new ATOM 0 HB3 SER A 3 -10.393 -5.710 -6.703 1.00 75.20 H new ATOM 0 HG SER A 3 -10.231 -7.962 -6.156 1.00 43.10 H new ATOM 55 N ALA A 4 -7.276 -5.922 -4.707 1.00 1.43 N ATOM 56 CA ALA A 4 -5.828 -6.062 -5.021 1.00 32.42 C ATOM 57 C ALA A 4 -5.563 -6.254 -6.529 1.00 62.30 C ATOM 58 O ALA A 4 -4.637 -5.658 -7.090 1.00 42.42 O ATOM 59 CB ALA A 4 -5.231 -7.227 -4.214 1.00 52.20 C ATOM 0 H ALA A 4 -7.610 -6.599 -4.021 1.00 1.43 H new ATOM 0 HA ALA A 4 -5.340 -5.130 -4.735 1.00 32.42 H new ATOM 0 HB1 ALA A 4 -4.171 -7.326 -4.447 1.00 52.20 H new ATOM 0 HB2 ALA A 4 -5.351 -7.031 -3.149 1.00 52.20 H new ATOM 0 HB3 ALA A 4 -5.747 -8.151 -4.473 1.00 52.20 H new ATOM 65 N THR A 5 -6.405 -7.079 -7.165 1.00 34.43 N ATOM 66 CA THR A 5 -6.339 -7.357 -8.616 1.00 70.22 C ATOM 67 C THR A 5 -6.649 -6.079 -9.440 1.00 11.43 C ATOM 68 O THR A 5 -6.006 -5.794 -10.454 1.00 12.53 O ATOM 69 CB THR A 5 -7.351 -8.491 -9.011 1.00 51.22 C ATOM 70 OG1 THR A 5 -7.430 -9.466 -7.960 1.00 22.12 O ATOM 71 CG2 THR A 5 -6.932 -9.208 -10.304 1.00 22.43 C ATOM 0 H THR A 5 -7.157 -7.578 -6.690 1.00 34.43 H new ATOM 0 HA THR A 5 -5.325 -7.687 -8.843 1.00 70.22 H new ATOM 0 HB THR A 5 -8.319 -8.016 -9.171 1.00 51.22 H new ATOM 0 HG1 THR A 5 -7.014 -10.302 -8.257 1.00 22.12 H new ATOM 0 HG21 THR A 5 -7.659 -9.985 -10.541 1.00 22.43 H new ATOM 0 HG22 THR A 5 -6.890 -8.489 -11.122 1.00 22.43 H new ATOM 0 HG23 THR A 5 -5.950 -9.660 -10.167 1.00 22.43 H new ATOM 79 N ASP A 6 -7.648 -5.316 -8.967 1.00 5.24 N ATOM 80 CA ASP A 6 -8.086 -4.043 -9.590 1.00 70.31 C ATOM 81 C ASP A 6 -6.977 -2.944 -9.532 1.00 51.32 C ATOM 82 O ASP A 6 -6.826 -2.151 -10.474 1.00 42.03 O ATOM 83 CB ASP A 6 -9.385 -3.567 -8.884 1.00 70.43 C ATOM 84 CG ASP A 6 -9.922 -2.224 -9.412 1.00 1.04 C ATOM 85 OD1 ASP A 6 -10.359 -2.169 -10.580 1.00 51.21 O ATOM 86 OD2 ASP A 6 -9.916 -1.223 -8.661 1.00 60.35 O ATOM 0 H ASP A 6 -8.183 -5.562 -8.134 1.00 5.24 H new ATOM 0 HA ASP A 6 -8.282 -4.219 -10.648 1.00 70.31 H new ATOM 0 HB2 ASP A 6 -10.155 -4.329 -9.007 1.00 70.43 H new ATOM 0 HB3 ASP A 6 -9.194 -3.476 -7.815 1.00 70.43 H new ATOM 91 N LEU A 7 -6.225 -2.903 -8.412 1.00 72.33 N ATOM 92 CA LEU A 7 -5.069 -1.979 -8.241 1.00 62.44 C ATOM 93 C LEU A 7 -3.942 -2.269 -9.267 1.00 62.31 C ATOM 94 O LEU A 7 -3.345 -1.344 -9.835 1.00 1.54 O ATOM 95 CB LEU A 7 -4.500 -2.075 -6.802 1.00 4.34 C ATOM 96 CG LEU A 7 -5.479 -1.749 -5.630 1.00 42.02 C ATOM 97 CD1 LEU A 7 -4.746 -1.792 -4.278 1.00 44.41 C ATOM 98 CD2 LEU A 7 -6.187 -0.395 -5.829 1.00 74.52 C ATOM 0 H LEU A 7 -6.395 -3.501 -7.604 1.00 72.33 H new ATOM 0 HA LEU A 7 -5.438 -0.969 -8.418 1.00 62.44 H new ATOM 0 HB2 LEU A 7 -4.120 -3.086 -6.655 1.00 4.34 H new ATOM 0 HB3 LEU A 7 -3.647 -1.400 -6.729 1.00 4.34 H new ATOM 0 HG LEU A 7 -6.251 -2.519 -5.629 1.00 42.02 H new ATOM 0 HD11 LEU A 7 -5.448 -1.562 -3.476 1.00 44.41 H new ATOM 0 HD12 LEU A 7 -4.330 -2.787 -4.121 1.00 44.41 H new ATOM 0 HD13 LEU A 7 -3.941 -1.058 -4.277 1.00 44.41 H new ATOM 0 HD21 LEU A 7 -6.858 -0.209 -4.991 1.00 74.52 H new ATOM 0 HD22 LEU A 7 -5.443 0.400 -5.882 1.00 74.52 H new ATOM 0 HD23 LEU A 7 -6.761 -0.417 -6.755 1.00 74.52 H new ATOM 110 N LEU A 8 -3.675 -3.573 -9.487 1.00 11.20 N ATOM 111 CA LEU A 8 -2.672 -4.062 -10.471 1.00 43.11 C ATOM 112 C LEU A 8 -2.980 -3.589 -11.912 1.00 33.54 C ATOM 113 O LEU A 8 -2.057 -3.366 -12.706 1.00 3.21 O ATOM 114 CB LEU A 8 -2.615 -5.608 -10.427 1.00 11.15 C ATOM 115 CG LEU A 8 -2.062 -6.225 -9.105 1.00 31.20 C ATOM 116 CD1 LEU A 8 -2.349 -7.734 -9.033 1.00 61.02 C ATOM 117 CD2 LEU A 8 -0.546 -5.936 -8.943 1.00 33.33 C ATOM 0 H LEU A 8 -4.149 -4.325 -8.987 1.00 11.20 H new ATOM 0 HA LEU A 8 -1.706 -3.641 -10.192 1.00 43.11 H new ATOM 0 HB2 LEU A 8 -3.620 -5.996 -10.595 1.00 11.15 H new ATOM 0 HB3 LEU A 8 -1.997 -5.955 -11.255 1.00 11.15 H new ATOM 0 HG LEU A 8 -2.582 -5.748 -8.274 1.00 31.20 H new ATOM 0 HD11 LEU A 8 -1.952 -8.136 -8.101 1.00 61.02 H new ATOM 0 HD12 LEU A 8 -3.425 -7.902 -9.071 1.00 61.02 H new ATOM 0 HD13 LEU A 8 -1.873 -8.235 -9.876 1.00 61.02 H new ATOM 0 HD21 LEU A 8 -0.189 -6.378 -8.013 1.00 33.33 H new ATOM 0 HD22 LEU A 8 -0.002 -6.368 -9.783 1.00 33.33 H new ATOM 0 HD23 LEU A 8 -0.381 -4.859 -8.919 1.00 33.33 H new ATOM 129 N ASP A 9 -4.285 -3.445 -12.233 1.00 40.11 N ATOM 130 CA ASP A 9 -4.743 -2.985 -13.561 1.00 4.21 C ATOM 131 C ASP A 9 -4.226 -1.561 -13.879 1.00 24.11 C ATOM 132 O ASP A 9 -3.813 -1.294 -15.011 1.00 72.03 O ATOM 133 CB ASP A 9 -6.287 -3.035 -13.644 1.00 0.25 C ATOM 134 CG ASP A 9 -6.823 -2.750 -15.062 1.00 40.10 C ATOM 135 OD1 ASP A 9 -6.750 -3.650 -15.927 1.00 13.23 O ATOM 136 OD2 ASP A 9 -7.287 -1.619 -15.329 1.00 33.52 O ATOM 0 H ASP A 9 -5.045 -3.643 -11.583 1.00 40.11 H new ATOM 0 HA ASP A 9 -4.328 -3.660 -14.310 1.00 4.21 H new ATOM 0 HB2 ASP A 9 -6.631 -4.018 -13.322 1.00 0.25 H new ATOM 0 HB3 ASP A 9 -6.707 -2.307 -12.950 1.00 0.25 H new ATOM 141 N GLU A 10 -4.237 -0.663 -12.873 1.00 60.25 N ATOM 142 CA GLU A 10 -3.693 0.699 -13.033 1.00 71.21 C ATOM 143 C GLU A 10 -2.145 0.657 -13.089 1.00 24.53 C ATOM 144 O GLU A 10 -1.550 1.197 -14.020 1.00 5.50 O ATOM 145 CB GLU A 10 -4.154 1.642 -11.889 1.00 62.14 C ATOM 146 CG GLU A 10 -3.723 3.117 -12.101 1.00 71.05 C ATOM 147 CD GLU A 10 -4.053 4.062 -10.934 1.00 31.41 C ATOM 148 OE1 GLU A 10 -5.255 4.278 -10.661 1.00 64.10 O ATOM 149 OE2 GLU A 10 -3.120 4.620 -10.299 1.00 72.13 O ATOM 0 H GLU A 10 -4.615 -0.856 -11.946 1.00 60.25 H new ATOM 0 HA GLU A 10 -4.080 1.097 -13.971 1.00 71.21 H new ATOM 0 HB2 GLU A 10 -5.240 1.596 -11.805 1.00 62.14 H new ATOM 0 HB3 GLU A 10 -3.745 1.283 -10.944 1.00 62.14 H new ATOM 0 HG2 GLU A 10 -2.648 3.144 -12.279 1.00 71.05 H new ATOM 0 HG3 GLU A 10 -4.205 3.495 -13.003 1.00 71.05 H new ATOM 156 N LEU A 11 -1.526 -0.040 -12.102 1.00 35.44 N ATOM 157 CA LEU A 11 -0.045 -0.121 -11.924 1.00 51.00 C ATOM 158 C LEU A 11 0.710 -0.489 -13.237 1.00 0.43 C ATOM 159 O LEU A 11 1.599 0.246 -13.677 1.00 55.33 O ATOM 160 CB LEU A 11 0.285 -1.158 -10.806 1.00 13.53 C ATOM 161 CG LEU A 11 -0.110 -0.746 -9.349 1.00 54.12 C ATOM 162 CD1 LEU A 11 0.041 -1.934 -8.366 1.00 33.43 C ATOM 163 CD2 LEU A 11 0.721 0.474 -8.881 1.00 4.34 C ATOM 0 H LEU A 11 -2.042 -0.568 -11.398 1.00 35.44 H new ATOM 0 HA LEU A 11 0.302 0.872 -11.637 1.00 51.00 H new ATOM 0 HB2 LEU A 11 -0.219 -2.094 -11.047 1.00 13.53 H new ATOM 0 HB3 LEU A 11 1.356 -1.357 -10.828 1.00 13.53 H new ATOM 0 HG LEU A 11 -1.161 -0.459 -9.356 1.00 54.12 H new ATOM 0 HD11 LEU A 11 -0.241 -1.614 -7.363 1.00 33.43 H new ATOM 0 HD12 LEU A 11 -0.606 -2.752 -8.682 1.00 33.43 H new ATOM 0 HD13 LEU A 11 1.077 -2.273 -8.361 1.00 33.43 H new ATOM 0 HD21 LEU A 11 0.431 0.744 -7.866 1.00 4.34 H new ATOM 0 HD22 LEU A 11 1.781 0.221 -8.900 1.00 4.34 H new ATOM 0 HD23 LEU A 11 0.537 1.317 -9.547 1.00 4.34 H new ATOM 175 N ASN A 12 0.330 -1.627 -13.849 1.00 12.32 N ATOM 176 CA ASN A 12 0.927 -2.108 -15.129 1.00 4.13 C ATOM 177 C ASN A 12 0.570 -1.216 -16.352 1.00 50.30 C ATOM 178 O ASN A 12 1.255 -1.259 -17.377 1.00 1.13 O ATOM 179 CB ASN A 12 0.477 -3.566 -15.411 1.00 75.13 C ATOM 180 CG ASN A 12 1.111 -4.588 -14.472 1.00 21.14 C ATOM 181 OD1 ASN A 12 2.172 -5.127 -14.756 1.00 64.24 O ATOM 182 ND2 ASN A 12 0.475 -4.872 -13.355 1.00 53.22 N ATOM 0 H ASN A 12 -0.395 -2.242 -13.480 1.00 12.32 H new ATOM 0 HA ASN A 12 2.008 -2.057 -14.999 1.00 4.13 H new ATOM 0 HB2 ASN A 12 -0.608 -3.627 -15.323 1.00 75.13 H new ATOM 0 HB3 ASN A 12 0.729 -3.824 -16.440 1.00 75.13 H new ATOM 0 HD21 ASN A 12 0.866 -5.554 -12.705 1.00 53.22 H new ATOM 0 HD22 ASN A 12 -0.408 -4.410 -13.139 1.00 53.22 H new ATOM 189 N ALA A 13 -0.511 -0.430 -16.247 1.00 33.15 N ATOM 190 CA ALA A 13 -1.040 0.373 -17.376 1.00 62.45 C ATOM 191 C ALA A 13 -0.490 1.819 -17.407 1.00 63.03 C ATOM 192 O ALA A 13 -0.405 2.422 -18.479 1.00 11.43 O ATOM 193 CB ALA A 13 -2.574 0.396 -17.319 1.00 73.25 C ATOM 0 H ALA A 13 -1.046 -0.328 -15.385 1.00 33.15 H new ATOM 0 HA ALA A 13 -0.702 -0.108 -18.294 1.00 62.45 H new ATOM 0 HB1 ALA A 13 -2.960 0.987 -18.150 1.00 73.25 H new ATOM 0 HB2 ALA A 13 -2.956 -0.622 -17.389 1.00 73.25 H new ATOM 0 HB3 ALA A 13 -2.896 0.840 -16.377 1.00 73.25 H new ATOM 199 N VAL A 14 -0.141 2.392 -16.236 1.00 21.31 N ATOM 200 CA VAL A 14 0.236 3.830 -16.130 1.00 30.34 C ATOM 201 C VAL A 14 1.735 4.029 -15.790 1.00 30.41 C ATOM 202 O VAL A 14 2.276 3.397 -14.871 1.00 72.51 O ATOM 203 CB VAL A 14 -0.672 4.601 -15.086 1.00 24.31 C ATOM 204 CG1 VAL A 14 -2.166 4.479 -15.471 1.00 65.32 C ATOM 205 CG2 VAL A 14 -0.436 4.134 -13.621 1.00 41.21 C ATOM 0 H VAL A 14 -0.110 1.888 -15.350 1.00 21.31 H new ATOM 0 HA VAL A 14 0.064 4.258 -17.118 1.00 30.34 H new ATOM 0 HB VAL A 14 -0.381 5.651 -15.127 1.00 24.31 H new ATOM 0 HG11 VAL A 14 -2.774 5.015 -14.742 1.00 65.32 H new ATOM 0 HG12 VAL A 14 -2.323 4.908 -16.461 1.00 65.32 H new ATOM 0 HG13 VAL A 14 -2.454 3.428 -15.482 1.00 65.32 H new ATOM 0 HG21 VAL A 14 -1.085 4.697 -12.951 1.00 41.21 H new ATOM 0 HG22 VAL A 14 -0.662 3.071 -13.537 1.00 41.21 H new ATOM 0 HG23 VAL A 14 0.605 4.306 -13.347 1.00 41.21 H new ATOM 215 N ASP A 15 2.419 4.863 -16.604 1.00 75.31 N ATOM 216 CA ASP A 15 3.751 5.442 -16.273 1.00 52.43 C ATOM 217 C ASP A 15 3.749 6.286 -14.962 1.00 12.44 C ATOM 218 O ASP A 15 4.810 6.505 -14.360 1.00 11.02 O ATOM 219 CB ASP A 15 4.240 6.337 -17.449 1.00 23.22 C ATOM 220 CG ASP A 15 4.179 5.630 -18.812 1.00 72.04 C ATOM 221 OD1 ASP A 15 5.166 4.974 -19.200 1.00 14.43 O ATOM 222 OD2 ASP A 15 3.122 5.709 -19.489 1.00 72.53 O ATOM 0 H ASP A 15 2.066 5.158 -17.514 1.00 75.31 H new ATOM 0 HA ASP A 15 4.424 4.599 -16.115 1.00 52.43 H new ATOM 0 HB2 ASP A 15 3.631 7.240 -17.488 1.00 23.22 H new ATOM 0 HB3 ASP A 15 5.265 6.652 -17.256 1.00 23.22 H new ATOM 227 N GLU A 16 2.561 6.759 -14.533 1.00 3.02 N ATOM 228 CA GLU A 16 2.405 7.618 -13.331 1.00 41.31 C ATOM 229 C GLU A 16 1.394 6.986 -12.344 1.00 64.52 C ATOM 230 O GLU A 16 0.171 7.098 -12.526 1.00 4.10 O ATOM 231 CB GLU A 16 1.960 9.059 -13.734 1.00 50.24 C ATOM 232 CG GLU A 16 1.665 10.023 -12.552 1.00 11.25 C ATOM 233 CD GLU A 16 2.870 10.279 -11.622 1.00 14.22 C ATOM 234 OE1 GLU A 16 3.647 11.220 -11.885 1.00 54.41 O ATOM 235 OE2 GLU A 16 3.039 9.547 -10.617 1.00 43.22 O ATOM 0 H GLU A 16 1.680 6.559 -15.007 1.00 3.02 H new ATOM 0 HA GLU A 16 3.372 7.692 -12.833 1.00 41.31 H new ATOM 0 HB2 GLU A 16 2.740 9.501 -14.355 1.00 50.24 H new ATOM 0 HB3 GLU A 16 1.065 8.985 -14.351 1.00 50.24 H new ATOM 0 HG2 GLU A 16 1.323 10.977 -12.954 1.00 11.25 H new ATOM 0 HG3 GLU A 16 0.846 9.614 -11.961 1.00 11.25 H new ATOM 242 N SER A 17 1.919 6.298 -11.313 1.00 3.34 N ATOM 243 CA SER A 17 1.106 5.686 -10.240 1.00 64.15 C ATOM 244 C SER A 17 0.609 6.783 -9.267 1.00 74.24 C ATOM 245 O SER A 17 1.324 7.192 -8.342 1.00 33.02 O ATOM 246 CB SER A 17 1.926 4.598 -9.504 1.00 21.44 C ATOM 247 OG SER A 17 3.159 5.107 -9.005 1.00 75.54 O ATOM 0 H SER A 17 2.922 6.149 -11.198 1.00 3.34 H new ATOM 0 HA SER A 17 0.232 5.202 -10.676 1.00 64.15 H new ATOM 0 HB2 SER A 17 1.338 4.197 -8.678 1.00 21.44 H new ATOM 0 HB3 SER A 17 2.124 3.770 -10.185 1.00 21.44 H new ATOM 0 HG SER A 17 3.007 5.980 -8.587 1.00 75.54 H new ATOM 253 N ALA A 18 -0.618 7.270 -9.520 1.00 15.30 N ATOM 254 CA ALA A 18 -1.158 8.489 -8.880 1.00 12.02 C ATOM 255 C ALA A 18 -1.446 8.313 -7.364 1.00 20.51 C ATOM 256 O ALA A 18 -0.841 8.994 -6.528 1.00 11.03 O ATOM 257 CB ALA A 18 -2.415 8.944 -9.639 1.00 42.02 C ATOM 0 H ALA A 18 -1.266 6.831 -10.174 1.00 15.30 H new ATOM 0 HA ALA A 18 -0.391 9.261 -8.940 1.00 12.02 H new ATOM 0 HB1 ALA A 18 -2.817 9.843 -9.171 1.00 42.02 H new ATOM 0 HB2 ALA A 18 -2.156 9.159 -10.676 1.00 42.02 H new ATOM 0 HB3 ALA A 18 -3.164 8.153 -9.609 1.00 42.02 H new ATOM 263 N ARG A 19 -2.392 7.419 -7.015 1.00 22.05 N ATOM 264 CA ARG A 19 -2.763 7.136 -5.597 1.00 24.31 C ATOM 265 C ARG A 19 -2.567 5.644 -5.230 1.00 72.13 C ATOM 266 O ARG A 19 -2.913 5.236 -4.122 1.00 64.02 O ATOM 267 CB ARG A 19 -4.234 7.601 -5.278 1.00 13.35 C ATOM 268 CG ARG A 19 -4.406 9.126 -5.020 1.00 71.23 C ATOM 269 CD ARG A 19 -4.454 9.987 -6.306 1.00 61.40 C ATOM 270 NE ARG A 19 -5.825 10.149 -6.835 1.00 11.12 N ATOM 271 CZ ARG A 19 -6.288 9.676 -7.976 1.00 52.24 C ATOM 272 NH1 ARG A 19 -5.599 8.854 -8.704 1.00 11.25 N ATOM 273 NH2 ARG A 19 -7.470 10.013 -8.367 1.00 21.22 N ATOM 0 H ARG A 19 -2.921 6.873 -7.694 1.00 22.05 H new ATOM 0 HA ARG A 19 -2.083 7.719 -4.976 1.00 24.31 H new ATOM 0 HB2 ARG A 19 -4.877 7.315 -6.110 1.00 13.35 H new ATOM 0 HB3 ARG A 19 -4.587 7.058 -4.401 1.00 13.35 H new ATOM 0 HG2 ARG A 19 -5.324 9.286 -4.455 1.00 71.23 H new ATOM 0 HG3 ARG A 19 -3.583 9.472 -4.395 1.00 71.23 H new ATOM 0 HD2 ARG A 19 -4.032 10.970 -6.096 1.00 61.40 H new ATOM 0 HD3 ARG A 19 -3.827 9.527 -7.070 1.00 61.40 H new ATOM 0 HE ARG A 19 -6.479 10.680 -6.260 1.00 11.12 H new ATOM 0 HH11 ARG A 19 -4.672 8.556 -8.399 1.00 11.25 H new ATOM 0 HH12 ARG A 19 -5.984 8.505 -9.582 1.00 11.25 H new ATOM 0 HH21 ARG A 19 -8.037 10.639 -7.796 1.00 21.22 H new ATOM 0 HH22 ARG A 19 -7.838 9.653 -9.248 1.00 21.22 H new ATOM 287 N ILE A 20 -1.974 4.838 -6.134 1.00 34.20 N ATOM 288 CA ILE A 20 -1.716 3.396 -5.876 1.00 11.13 C ATOM 289 C ILE A 20 -0.198 3.146 -5.881 1.00 30.21 C ATOM 290 O ILE A 20 0.437 3.273 -6.929 1.00 45.22 O ATOM 291 CB ILE A 20 -2.405 2.451 -6.939 1.00 53.23 C ATOM 292 CG1 ILE A 20 -3.919 2.802 -7.096 1.00 51.41 C ATOM 293 CG2 ILE A 20 -2.222 0.956 -6.543 1.00 21.15 C ATOM 294 CD1 ILE A 20 -4.680 1.954 -8.103 1.00 41.23 C ATOM 0 H ILE A 20 -1.662 5.156 -7.052 1.00 34.20 H new ATOM 0 HA ILE A 20 -2.148 3.157 -4.904 1.00 11.13 H new ATOM 0 HB ILE A 20 -1.920 2.611 -7.902 1.00 53.23 H new ATOM 0 HG12 ILE A 20 -4.401 2.702 -6.124 1.00 51.41 H new ATOM 0 HG13 ILE A 20 -4.004 3.849 -7.388 1.00 51.41 H new ATOM 0 HG21 ILE A 20 -2.703 0.321 -7.287 1.00 21.15 H new ATOM 0 HG22 ILE A 20 -1.159 0.719 -6.497 1.00 21.15 H new ATOM 0 HG23 ILE A 20 -2.676 0.780 -5.568 1.00 21.15 H new ATOM 0 HD11 ILE A 20 -5.721 2.276 -8.137 1.00 41.23 H new ATOM 0 HD12 ILE A 20 -4.231 2.070 -9.090 1.00 41.23 H new ATOM 0 HD13 ILE A 20 -4.634 0.907 -7.805 1.00 41.23 H new ATOM 306 N GLU A 21 0.386 2.796 -4.721 1.00 54.44 N ATOM 307 CA GLU A 21 1.854 2.587 -4.602 1.00 53.41 C ATOM 308 C GLU A 21 2.144 1.166 -4.049 1.00 23.24 C ATOM 309 O GLU A 21 1.763 0.839 -2.916 1.00 1.51 O ATOM 310 CB GLU A 21 2.470 3.714 -3.706 1.00 5.12 C ATOM 311 CG GLU A 21 3.981 4.033 -3.969 1.00 61.50 C ATOM 312 CD GLU A 21 4.932 3.638 -2.819 1.00 34.15 C ATOM 313 OE1 GLU A 21 5.376 2.470 -2.769 1.00 63.02 O ATOM 314 OE2 GLU A 21 5.233 4.498 -1.951 1.00 72.54 O ATOM 0 H GLU A 21 -0.127 2.651 -3.852 1.00 54.44 H new ATOM 0 HA GLU A 21 2.324 2.651 -5.583 1.00 53.41 H new ATOM 0 HB2 GLU A 21 1.893 4.627 -3.853 1.00 5.12 H new ATOM 0 HB3 GLU A 21 2.354 3.428 -2.661 1.00 5.12 H new ATOM 0 HG2 GLU A 21 4.295 3.516 -4.876 1.00 61.50 H new ATOM 0 HG3 GLU A 21 4.085 5.101 -4.158 1.00 61.50 H new ATOM 321 N ALA A 22 2.804 0.321 -4.873 1.00 72.53 N ATOM 322 CA ALA A 22 3.040 -1.109 -4.565 1.00 12.10 C ATOM 323 C ALA A 22 4.388 -1.330 -3.844 1.00 2.05 C ATOM 324 O ALA A 22 5.423 -0.826 -4.285 1.00 12.42 O ATOM 325 CB ALA A 22 2.985 -1.935 -5.857 1.00 31.34 C ATOM 0 H ALA A 22 3.189 0.611 -5.772 1.00 72.53 H new ATOM 0 HA ALA A 22 2.252 -1.439 -3.887 1.00 12.10 H new ATOM 0 HB1 ALA A 22 3.159 -2.986 -5.625 1.00 31.34 H new ATOM 0 HB2 ALA A 22 2.004 -1.823 -6.319 1.00 31.34 H new ATOM 0 HB3 ALA A 22 3.753 -1.584 -6.546 1.00 31.34 H new ATOM 331 N LYS A 23 4.363 -2.101 -2.734 1.00 13.51 N ATOM 332 CA LYS A 23 5.555 -2.405 -1.906 1.00 42.41 C ATOM 333 C LYS A 23 5.668 -3.926 -1.649 1.00 45.35 C ATOM 334 O LYS A 23 4.663 -4.644 -1.652 1.00 35.44 O ATOM 335 CB LYS A 23 5.439 -1.664 -0.543 1.00 32.14 C ATOM 336 CG LYS A 23 5.264 -0.135 -0.650 1.00 71.01 C ATOM 337 CD LYS A 23 4.941 0.525 0.705 1.00 3.14 C ATOM 338 CE LYS A 23 4.725 2.041 0.591 1.00 41.24 C ATOM 339 NZ LYS A 23 5.943 2.746 0.119 1.00 34.22 N ATOM 0 H LYS A 23 3.509 -2.534 -2.383 1.00 13.51 H new ATOM 0 HA LYS A 23 6.444 -2.071 -2.440 1.00 42.41 H new ATOM 0 HB2 LYS A 23 4.592 -2.075 0.007 1.00 32.14 H new ATOM 0 HB3 LYS A 23 6.333 -1.873 0.045 1.00 32.14 H new ATOM 0 HG2 LYS A 23 6.177 0.303 -1.054 1.00 71.01 H new ATOM 0 HG3 LYS A 23 4.464 0.086 -1.357 1.00 71.01 H new ATOM 0 HD2 LYS A 23 4.046 0.065 1.124 1.00 3.14 H new ATOM 0 HD3 LYS A 23 5.756 0.330 1.403 1.00 3.14 H new ATOM 0 HE2 LYS A 23 3.903 2.239 -0.097 1.00 41.24 H new ATOM 0 HE3 LYS A 23 4.430 2.439 1.562 1.00 41.24 H new ATOM 0 HZ1 LYS A 23 5.669 3.537 -0.498 1.00 34.22 H new ATOM 0 HZ2 LYS A 23 6.471 3.111 0.937 1.00 34.22 H new ATOM 0 HZ3 LYS A 23 6.543 2.084 -0.413 1.00 34.22 H new ATOM 353 N ARG A 24 6.904 -4.410 -1.458 1.00 74.03 N ATOM 354 CA ARG A 24 7.168 -5.771 -0.932 1.00 34.03 C ATOM 355 C ARG A 24 7.264 -5.762 0.613 1.00 44.02 C ATOM 356 O ARG A 24 7.280 -4.698 1.250 1.00 33.23 O ATOM 357 CB ARG A 24 8.472 -6.345 -1.559 1.00 31.32 C ATOM 358 CG ARG A 24 8.347 -6.670 -3.059 1.00 32.42 C ATOM 359 CD ARG A 24 9.623 -7.258 -3.683 1.00 71.43 C ATOM 360 NE ARG A 24 10.690 -6.258 -3.874 1.00 35.32 N ATOM 361 CZ ARG A 24 11.718 -6.401 -4.684 1.00 34.45 C ATOM 362 NH1 ARG A 24 11.856 -7.457 -5.414 1.00 12.11 N ATOM 363 NH2 ARG A 24 12.607 -5.477 -4.770 1.00 5.40 N ATOM 0 H ARG A 24 7.750 -3.877 -1.661 1.00 74.03 H new ATOM 0 HA ARG A 24 6.333 -6.413 -1.210 1.00 34.03 H new ATOM 0 HB2 ARG A 24 9.279 -5.626 -1.418 1.00 31.32 H new ATOM 0 HB3 ARG A 24 8.754 -7.251 -1.022 1.00 31.32 H new ATOM 0 HG2 ARG A 24 7.528 -7.376 -3.200 1.00 32.42 H new ATOM 0 HG3 ARG A 24 8.079 -5.760 -3.596 1.00 32.42 H new ATOM 0 HD2 ARG A 24 9.995 -8.060 -3.045 1.00 71.43 H new ATOM 0 HD3 ARG A 24 9.376 -7.705 -4.646 1.00 71.43 H new ATOM 0 HE ARG A 24 10.627 -5.392 -3.339 1.00 35.32 H new ATOM 0 HH11 ARG A 24 11.160 -8.202 -5.370 1.00 12.11 H new ATOM 0 HH12 ARG A 24 12.661 -7.546 -6.035 1.00 12.11 H new ATOM 0 HH21 ARG A 24 12.517 -4.629 -4.210 1.00 5.40 H new ATOM 0 HH22 ARG A 24 13.402 -5.591 -5.399 1.00 5.40 H new ATOM 377 N ALA A 25 7.308 -6.970 1.205 1.00 30.25 N ATOM 378 CA ALA A 25 7.541 -7.160 2.661 1.00 53.23 C ATOM 379 C ALA A 25 8.930 -6.610 3.097 1.00 64.44 C ATOM 380 O ALA A 25 9.110 -6.187 4.239 1.00 23.21 O ATOM 381 CB ALA A 25 7.400 -8.651 3.016 1.00 44.24 C ATOM 0 H ALA A 25 7.184 -7.844 0.694 1.00 30.25 H new ATOM 0 HA ALA A 25 6.789 -6.591 3.208 1.00 53.23 H new ATOM 0 HB1 ALA A 25 7.571 -8.789 4.084 1.00 44.24 H new ATOM 0 HB2 ALA A 25 6.396 -8.992 2.762 1.00 44.24 H new ATOM 0 HB3 ALA A 25 8.133 -9.230 2.454 1.00 44.24 H new ATOM 387 N SER A 26 9.913 -6.652 2.175 1.00 23.22 N ATOM 388 CA SER A 26 11.245 -6.004 2.349 1.00 62.03 C ATOM 389 C SER A 26 11.148 -4.463 2.536 1.00 34.11 C ATOM 390 O SER A 26 11.999 -3.857 3.195 1.00 55.42 O ATOM 391 CB SER A 26 12.133 -6.327 1.123 1.00 11.15 C ATOM 392 OG SER A 26 11.515 -5.906 -0.091 1.00 63.35 O ATOM 0 H SER A 26 9.813 -7.136 1.283 1.00 23.22 H new ATOM 0 HA SER A 26 11.687 -6.406 3.261 1.00 62.03 H new ATOM 0 HB2 SER A 26 13.099 -5.834 1.231 1.00 11.15 H new ATOM 0 HB3 SER A 26 12.325 -7.399 1.083 1.00 11.15 H new ATOM 0 HG SER A 26 12.100 -6.121 -0.847 1.00 63.35 H new ATOM 398 N ASP A 27 10.117 -3.839 1.933 1.00 12.43 N ATOM 399 CA ASP A 27 9.877 -2.374 2.035 1.00 73.13 C ATOM 400 C ASP A 27 9.034 -1.991 3.284 1.00 30.33 C ATOM 401 O ASP A 27 8.793 -0.797 3.529 1.00 35.02 O ATOM 402 CB ASP A 27 9.175 -1.875 0.753 1.00 54.01 C ATOM 403 CG ASP A 27 9.983 -2.207 -0.509 1.00 31.00 C ATOM 404 OD1 ASP A 27 10.904 -1.438 -0.860 1.00 20.22 O ATOM 405 OD2 ASP A 27 9.723 -3.255 -1.139 1.00 33.23 O ATOM 0 H ASP A 27 9.427 -4.328 1.363 1.00 12.43 H new ATOM 0 HA ASP A 27 10.848 -1.892 2.146 1.00 73.13 H new ATOM 0 HB2 ASP A 27 8.186 -2.328 0.681 1.00 54.01 H new ATOM 0 HB3 ASP A 27 9.027 -0.797 0.816 1.00 54.01 H new ATOM 410 N MET A 28 8.595 -3.004 4.063 1.00 64.22 N ATOM 411 CA MET A 28 7.774 -2.810 5.286 1.00 73.54 C ATOM 412 C MET A 28 8.539 -2.024 6.393 1.00 13.23 C ATOM 413 O MET A 28 9.625 -2.435 6.821 1.00 53.31 O ATOM 414 CB MET A 28 7.300 -4.193 5.813 1.00 41.32 C ATOM 415 CG MET A 28 6.391 -4.145 7.042 1.00 75.43 C ATOM 416 SD MET A 28 4.920 -3.136 6.772 1.00 43.41 S ATOM 417 CE MET A 28 4.014 -3.441 8.286 1.00 65.14 C ATOM 0 H MET A 28 8.799 -3.983 3.864 1.00 64.22 H new ATOM 0 HA MET A 28 6.907 -2.204 5.020 1.00 73.54 H new ATOM 0 HB2 MET A 28 6.772 -4.708 5.010 1.00 41.32 H new ATOM 0 HB3 MET A 28 8.178 -4.793 6.053 1.00 41.32 H new ATOM 0 HG2 MET A 28 6.089 -5.158 7.307 1.00 75.43 H new ATOM 0 HG3 MET A 28 6.950 -3.747 7.889 1.00 75.43 H new ATOM 0 HE1 MET A 28 3.123 -4.029 8.065 1.00 65.14 H new ATOM 0 HE2 MET A 28 4.646 -3.989 8.984 1.00 65.14 H new ATOM 0 HE3 MET A 28 3.720 -2.491 8.732 1.00 65.14 H new ATOM 427 N GLY A 29 7.956 -0.887 6.844 1.00 62.42 N ATOM 428 CA GLY A 29 8.572 -0.031 7.875 1.00 42.01 C ATOM 429 C GLY A 29 8.246 1.456 7.696 1.00 64.51 C ATOM 430 O GLY A 29 7.097 1.811 7.412 1.00 12.11 O ATOM 0 H GLY A 29 7.057 -0.545 6.506 1.00 62.42 H new ATOM 0 HA2 GLY A 29 8.232 -0.355 8.859 1.00 42.01 H new ATOM 0 HA3 GLY A 29 9.653 -0.165 7.851 1.00 42.01 H new ATOM 434 N LYS A 30 9.274 2.326 7.842 1.00 3.33 N ATOM 435 CA LYS A 30 9.124 3.811 7.730 1.00 10.13 C ATOM 436 C LYS A 30 8.792 4.236 6.278 1.00 22.22 C ATOM 437 O LYS A 30 8.098 5.231 6.056 1.00 44.14 O ATOM 438 CB LYS A 30 10.402 4.573 8.220 1.00 2.32 C ATOM 439 CG LYS A 30 10.719 4.473 9.738 1.00 32.44 C ATOM 440 CD LYS A 30 11.223 3.077 10.184 1.00 42.42 C ATOM 441 CE LYS A 30 11.579 3.017 11.677 1.00 25.11 C ATOM 442 NZ LYS A 30 12.706 3.924 12.028 1.00 63.54 N ATOM 0 H LYS A 30 10.229 2.028 8.040 1.00 3.33 H new ATOM 0 HA LYS A 30 8.294 4.085 8.381 1.00 10.13 H new ATOM 0 HB2 LYS A 30 11.260 4.195 7.665 1.00 2.32 H new ATOM 0 HB3 LYS A 30 10.294 5.626 7.961 1.00 2.32 H new ATOM 0 HG2 LYS A 30 11.473 5.219 9.992 1.00 32.44 H new ATOM 0 HG3 LYS A 30 9.821 4.722 10.304 1.00 32.44 H new ATOM 0 HD2 LYS A 30 10.455 2.334 9.969 1.00 42.42 H new ATOM 0 HD3 LYS A 30 12.100 2.808 9.596 1.00 42.42 H new ATOM 0 HE2 LYS A 30 10.703 3.285 12.268 1.00 25.11 H new ATOM 0 HE3 LYS A 30 11.843 1.994 11.944 1.00 25.11 H new ATOM 0 HZ1 LYS A 30 12.987 3.762 13.016 1.00 63.54 H new ATOM 0 HZ2 LYS A 30 13.514 3.732 11.402 1.00 63.54 H new ATOM 0 HZ3 LYS A 30 12.405 4.913 11.911 1.00 63.54 H new ATOM 456 N SER A 31 9.301 3.460 5.300 1.00 31.34 N ATOM 457 CA SER A 31 9.022 3.672 3.856 1.00 3.15 C ATOM 458 C SER A 31 7.518 3.499 3.525 1.00 63.34 C ATOM 459 O SER A 31 7.009 4.109 2.580 1.00 23.15 O ATOM 460 CB SER A 31 9.881 2.710 2.997 1.00 63.23 C ATOM 461 OG SER A 31 11.270 2.963 3.169 1.00 64.20 O ATOM 0 H SER A 31 9.917 2.668 5.484 1.00 31.34 H new ATOM 0 HA SER A 31 9.291 4.701 3.616 1.00 3.15 H new ATOM 0 HB2 SER A 31 9.660 1.679 3.272 1.00 63.23 H new ATOM 0 HB3 SER A 31 9.616 2.823 1.946 1.00 63.23 H new ATOM 0 HG SER A 31 11.787 2.340 2.616 1.00 64.20 H new ATOM 467 N VAL A 32 6.824 2.620 4.276 1.00 54.44 N ATOM 468 CA VAL A 32 5.348 2.511 4.219 1.00 0.44 C ATOM 469 C VAL A 32 4.675 3.717 4.920 1.00 52.24 C ATOM 470 O VAL A 32 3.728 4.311 4.392 1.00 5.24 O ATOM 471 CB VAL A 32 4.828 1.168 4.860 1.00 14.22 C ATOM 472 CG1 VAL A 32 3.303 0.989 4.648 1.00 24.55 C ATOM 473 CG2 VAL A 32 5.597 -0.051 4.305 1.00 72.14 C ATOM 0 H VAL A 32 7.262 1.973 4.932 1.00 54.44 H new ATOM 0 HA VAL A 32 5.075 2.511 3.164 1.00 0.44 H new ATOM 0 HB VAL A 32 5.013 1.231 5.932 1.00 14.22 H new ATOM 0 HG11 VAL A 32 2.980 0.053 5.103 1.00 24.55 H new ATOM 0 HG12 VAL A 32 2.771 1.820 5.111 1.00 24.55 H new ATOM 0 HG13 VAL A 32 3.084 0.968 3.580 1.00 24.55 H new ATOM 0 HG21 VAL A 32 5.216 -0.962 4.766 1.00 72.14 H new ATOM 0 HG22 VAL A 32 5.461 -0.106 3.225 1.00 72.14 H new ATOM 0 HG23 VAL A 32 6.658 0.054 4.532 1.00 72.14 H new ATOM 483 N MET A 33 5.216 4.069 6.098 1.00 41.21 N ATOM 484 CA MET A 33 4.608 5.056 7.021 1.00 41.21 C ATOM 485 C MET A 33 4.500 6.474 6.408 1.00 72.25 C ATOM 486 O MET A 33 3.422 7.065 6.415 1.00 32.15 O ATOM 487 CB MET A 33 5.397 5.089 8.360 1.00 64.10 C ATOM 488 CG MET A 33 4.824 6.057 9.413 1.00 43.13 C ATOM 489 SD MET A 33 3.042 5.846 9.670 1.00 40.44 S ATOM 490 CE MET A 33 2.926 4.155 10.245 1.00 21.41 C ATOM 0 H MET A 33 6.092 3.678 6.443 1.00 41.21 H new ATOM 0 HA MET A 33 3.586 4.730 7.211 1.00 41.21 H new ATOM 0 HB2 MET A 33 5.417 4.084 8.781 1.00 64.10 H new ATOM 0 HB3 MET A 33 6.430 5.368 8.152 1.00 64.10 H new ATOM 0 HG2 MET A 33 5.343 5.905 10.359 1.00 43.13 H new ATOM 0 HG3 MET A 33 5.022 7.083 9.102 1.00 43.13 H new ATOM 0 HE1 MET A 33 2.304 3.579 9.559 1.00 21.41 H new ATOM 0 HE2 MET A 33 3.923 3.716 10.287 1.00 21.41 H new ATOM 0 HE3 MET A 33 2.480 4.139 11.240 1.00 21.41 H new ATOM 500 N GLU A 34 5.610 6.987 5.852 1.00 24.33 N ATOM 501 CA GLU A 34 5.646 8.328 5.206 1.00 42.44 C ATOM 502 C GLU A 34 4.724 8.405 3.953 1.00 54.10 C ATOM 503 O GLU A 34 4.236 9.487 3.602 1.00 31.23 O ATOM 504 CB GLU A 34 7.119 8.736 4.873 1.00 40.14 C ATOM 505 CG GLU A 34 7.920 9.368 6.050 1.00 72.40 C ATOM 506 CD GLU A 34 8.073 8.472 7.304 1.00 45.43 C ATOM 507 OE1 GLU A 34 7.184 8.494 8.189 1.00 34.13 O ATOM 508 OE2 GLU A 34 9.096 7.765 7.435 1.00 54.21 O ATOM 0 H GLU A 34 6.504 6.497 5.833 1.00 24.33 H new ATOM 0 HA GLU A 34 5.248 9.050 5.919 1.00 42.44 H new ATOM 0 HB2 GLU A 34 7.653 7.852 4.526 1.00 40.14 H new ATOM 0 HB3 GLU A 34 7.103 9.444 4.045 1.00 40.14 H new ATOM 0 HG2 GLU A 34 8.914 9.633 5.690 1.00 72.40 H new ATOM 0 HG3 GLU A 34 7.430 10.296 6.344 1.00 72.40 H new ATOM 515 N THR A 35 4.495 7.252 3.289 1.00 52.43 N ATOM 516 CA THR A 35 3.534 7.145 2.160 1.00 44.31 C ATOM 517 C THR A 35 2.062 7.267 2.669 1.00 33.03 C ATOM 518 O THR A 35 1.231 7.928 2.036 1.00 52.22 O ATOM 519 CB THR A 35 3.726 5.797 1.376 1.00 41.53 C ATOM 520 OG1 THR A 35 5.094 5.662 0.940 1.00 32.33 O ATOM 521 CG2 THR A 35 2.802 5.687 0.148 1.00 35.34 C ATOM 0 H THR A 35 4.964 6.375 3.514 1.00 52.43 H new ATOM 0 HA THR A 35 3.736 7.970 1.477 1.00 44.31 H new ATOM 0 HB THR A 35 3.464 4.997 2.069 1.00 41.53 H new ATOM 0 HG1 THR A 35 5.593 5.124 1.590 1.00 32.33 H new ATOM 0 HG21 THR A 35 2.977 4.736 -0.355 1.00 35.34 H new ATOM 0 HG22 THR A 35 1.762 5.741 0.469 1.00 35.34 H new ATOM 0 HG23 THR A 35 3.012 6.506 -0.540 1.00 35.34 H new ATOM 529 N VAL A 36 1.762 6.636 3.834 1.00 54.23 N ATOM 530 CA VAL A 36 0.434 6.743 4.512 1.00 14.23 C ATOM 531 C VAL A 36 0.158 8.208 4.949 1.00 72.31 C ATOM 532 O VAL A 36 -0.940 8.738 4.742 1.00 30.44 O ATOM 533 CB VAL A 36 0.340 5.775 5.764 1.00 54.53 C ATOM 534 CG1 VAL A 36 -1.000 5.940 6.535 1.00 5.41 C ATOM 535 CG2 VAL A 36 0.547 4.297 5.343 1.00 20.22 C ATOM 0 H VAL A 36 2.426 6.042 4.330 1.00 54.23 H new ATOM 0 HA VAL A 36 -0.326 6.439 3.792 1.00 14.23 H new ATOM 0 HB VAL A 36 1.144 6.059 6.443 1.00 54.53 H new ATOM 0 HG11 VAL A 36 -1.018 5.256 7.384 1.00 5.41 H new ATOM 0 HG12 VAL A 36 -1.090 6.966 6.893 1.00 5.41 H new ATOM 0 HG13 VAL A 36 -1.833 5.714 5.869 1.00 5.41 H new ATOM 0 HG21 VAL A 36 0.477 3.655 6.221 1.00 20.22 H new ATOM 0 HG22 VAL A 36 -0.221 4.012 4.624 1.00 20.22 H new ATOM 0 HG23 VAL A 36 1.531 4.183 4.887 1.00 20.22 H new ATOM 545 N ILE A 37 1.194 8.853 5.523 1.00 64.53 N ATOM 546 CA ILE A 37 1.138 10.277 5.944 1.00 52.01 C ATOM 547 C ILE A 37 0.841 11.197 4.731 1.00 11.54 C ATOM 548 O ILE A 37 0.072 12.151 4.848 1.00 61.43 O ATOM 549 CB ILE A 37 2.484 10.730 6.647 1.00 74.44 C ATOM 550 CG1 ILE A 37 2.779 9.849 7.907 1.00 1.42 C ATOM 551 CG2 ILE A 37 2.462 12.240 7.031 1.00 12.12 C ATOM 552 CD1 ILE A 37 4.113 10.135 8.596 1.00 24.30 C ATOM 0 H ILE A 37 2.092 8.407 5.709 1.00 64.53 H new ATOM 0 HA ILE A 37 0.328 10.369 6.668 1.00 52.01 H new ATOM 0 HB ILE A 37 3.287 10.587 5.924 1.00 74.44 H new ATOM 0 HG12 ILE A 37 1.976 9.994 8.629 1.00 1.42 H new ATOM 0 HG13 ILE A 37 2.757 8.800 7.612 1.00 1.42 H new ATOM 0 HG21 ILE A 37 3.404 12.507 7.510 1.00 12.12 H new ATOM 0 HG22 ILE A 37 2.328 12.842 6.132 1.00 12.12 H new ATOM 0 HG23 ILE A 37 1.638 12.428 7.720 1.00 12.12 H new ATOM 0 HD11 ILE A 37 4.227 9.476 9.457 1.00 24.30 H new ATOM 0 HD12 ILE A 37 4.929 9.961 7.895 1.00 24.30 H new ATOM 0 HD13 ILE A 37 4.136 11.173 8.928 1.00 24.30 H new ATOM 564 N ALA A 38 1.417 10.854 3.558 1.00 62.22 N ATOM 565 CA ALA A 38 1.279 11.649 2.314 1.00 62.43 C ATOM 566 C ALA A 38 -0.196 11.738 1.826 1.00 41.33 C ATOM 567 O ALA A 38 -0.695 12.830 1.558 1.00 15.14 O ATOM 568 CB ALA A 38 2.185 11.059 1.217 1.00 45.21 C ATOM 0 H ALA A 38 1.991 10.018 3.445 1.00 62.22 H new ATOM 0 HA ALA A 38 1.594 12.669 2.535 1.00 62.43 H new ATOM 0 HB1 ALA A 38 2.081 11.646 0.304 1.00 45.21 H new ATOM 0 HB2 ALA A 38 3.223 11.086 1.549 1.00 45.21 H new ATOM 0 HB3 ALA A 38 1.893 10.027 1.020 1.00 45.21 H new ATOM 574 N PHE A 39 -0.891 10.583 1.766 1.00 74.54 N ATOM 575 CA PHE A 39 -2.306 10.523 1.286 1.00 45.03 C ATOM 576 C PHE A 39 -3.286 11.143 2.319 1.00 63.24 C ATOM 577 O PHE A 39 -4.304 11.735 1.946 1.00 75.13 O ATOM 578 CB PHE A 39 -2.731 9.068 0.955 1.00 33.13 C ATOM 579 CG PHE A 39 -1.927 8.406 -0.164 1.00 61.13 C ATOM 580 CD1 PHE A 39 -1.892 8.959 -1.448 1.00 65.42 C ATOM 581 CD2 PHE A 39 -1.204 7.238 0.063 1.00 73.02 C ATOM 582 CE1 PHE A 39 -1.163 8.357 -2.460 1.00 11.22 C ATOM 583 CE2 PHE A 39 -0.479 6.641 -0.951 1.00 73.22 C ATOM 584 CZ PHE A 39 -0.454 7.198 -2.208 1.00 0.24 C ATOM 0 H PHE A 39 -0.507 9.679 2.040 1.00 74.54 H new ATOM 0 HA PHE A 39 -2.355 11.113 0.371 1.00 45.03 H new ATOM 0 HB2 PHE A 39 -2.639 8.463 1.857 1.00 33.13 H new ATOM 0 HB3 PHE A 39 -3.785 9.066 0.677 1.00 33.13 H new ATOM 0 HD1 PHE A 39 -2.440 9.867 -1.653 1.00 65.42 H new ATOM 0 HD2 PHE A 39 -1.210 6.792 1.046 1.00 73.02 H new ATOM 0 HE1 PHE A 39 -1.149 8.794 -3.448 1.00 11.22 H new ATOM 0 HE2 PHE A 39 0.071 5.732 -0.755 1.00 73.22 H new ATOM 0 HZ PHE A 39 0.118 6.731 -2.996 1.00 0.24 H new ATOM 594 N ALA A 40 -2.948 11.005 3.617 1.00 44.34 N ATOM 595 CA ALA A 40 -3.762 11.548 4.734 1.00 53.24 C ATOM 596 C ALA A 40 -3.602 13.084 4.896 1.00 31.24 C ATOM 597 O ALA A 40 -4.494 13.757 5.434 1.00 53.43 O ATOM 598 CB ALA A 40 -3.382 10.831 6.041 1.00 64.03 C ATOM 0 H ALA A 40 -2.107 10.517 3.924 1.00 44.34 H new ATOM 0 HA ALA A 40 -4.810 11.364 4.499 1.00 53.24 H new ATOM 0 HB1 ALA A 40 -3.979 11.229 6.861 1.00 64.03 H new ATOM 0 HB2 ALA A 40 -3.573 9.763 5.939 1.00 64.03 H new ATOM 0 HB3 ALA A 40 -2.325 10.992 6.250 1.00 64.03 H new ATOM 604 N ASN A 41 -2.452 13.624 4.451 1.00 74.10 N ATOM 605 CA ASN A 41 -2.118 15.063 4.595 1.00 20.12 C ATOM 606 C ASN A 41 -2.498 15.881 3.333 1.00 51.45 C ATOM 607 O ASN A 41 -2.857 17.054 3.445 1.00 1.23 O ATOM 608 CB ASN A 41 -0.607 15.226 4.904 1.00 34.31 C ATOM 609 CG ASN A 41 -0.176 16.669 5.193 1.00 62.24 C ATOM 610 OD1 ASN A 41 -0.928 17.466 5.756 1.00 14.31 O ATOM 611 ND2 ASN A 41 1.034 17.023 4.800 1.00 60.40 N ATOM 0 H ASN A 41 -1.727 13.081 3.982 1.00 74.10 H new ATOM 0 HA ASN A 41 -2.706 15.456 5.424 1.00 20.12 H new ATOM 0 HB2 ASN A 41 -0.354 14.604 5.763 1.00 34.31 H new ATOM 0 HB3 ASN A 41 -0.032 14.850 4.058 1.00 34.31 H new ATOM 0 HD21 ASN A 41 1.364 17.975 4.961 1.00 60.40 H new ATOM 0 HD22 ASN A 41 1.638 16.345 4.336 1.00 60.40 H new ATOM 618 N GLU A 42 -2.398 15.276 2.136 1.00 14.12 N ATOM 619 CA GLU A 42 -2.699 15.982 0.865 1.00 63.21 C ATOM 620 C GLU A 42 -4.217 16.334 0.738 1.00 5.31 C ATOM 621 O GLU A 42 -5.067 15.446 0.884 1.00 72.01 O ATOM 622 CB GLU A 42 -2.202 15.158 -0.360 1.00 11.40 C ATOM 623 CG GLU A 42 -0.672 15.169 -0.577 1.00 71.45 C ATOM 624 CD GLU A 42 -0.104 16.587 -0.780 1.00 3.11 C ATOM 625 OE1 GLU A 42 -0.334 17.180 -1.859 1.00 41.53 O ATOM 626 OE2 GLU A 42 0.561 17.122 0.135 1.00 63.52 O ATOM 0 H GLU A 42 -2.113 14.304 2.016 1.00 14.12 H new ATOM 0 HA GLU A 42 -2.155 16.926 0.879 1.00 63.21 H new ATOM 0 HB2 GLU A 42 -2.530 14.125 -0.241 1.00 11.40 H new ATOM 0 HB3 GLU A 42 -2.684 15.544 -1.258 1.00 11.40 H new ATOM 0 HG2 GLU A 42 -0.185 14.708 0.282 1.00 71.45 H new ATOM 0 HG3 GLU A 42 -0.429 14.558 -1.447 1.00 71.45 H new ATOM 633 N PRO A 43 -4.565 17.651 0.464 1.00 22.25 N ATOM 634 CA PRO A 43 -5.976 18.149 0.446 1.00 51.11 C ATOM 635 C PRO A 43 -6.913 17.416 -0.558 1.00 25.12 C ATOM 636 O PRO A 43 -6.786 17.575 -1.778 1.00 75.23 O ATOM 637 CB PRO A 43 -5.831 19.658 0.097 1.00 12.21 C ATOM 638 CG PRO A 43 -4.424 19.995 0.491 1.00 43.11 C ATOM 639 CD PRO A 43 -3.614 18.761 0.174 1.00 4.02 C ATOM 0 HA PRO A 43 -6.461 17.963 1.404 1.00 51.11 H new ATOM 0 HB2 PRO A 43 -6.001 19.839 -0.964 1.00 12.21 H new ATOM 0 HB3 PRO A 43 -6.553 20.264 0.644 1.00 12.21 H new ATOM 0 HG2 PRO A 43 -4.057 20.859 -0.063 1.00 43.11 H new ATOM 0 HG3 PRO A 43 -4.361 20.245 1.550 1.00 43.11 H new ATOM 0 HD2 PRO A 43 -3.286 18.750 -0.865 1.00 4.02 H new ATOM 0 HD3 PRO A 43 -2.718 18.697 0.792 1.00 4.02 H new ATOM 647 N GLY A 44 -7.857 16.627 -0.009 1.00 63.01 N ATOM 648 CA GLY A 44 -8.854 15.886 -0.790 1.00 34.31 C ATOM 649 C GLY A 44 -8.316 14.647 -1.512 1.00 33.12 C ATOM 650 O GLY A 44 -8.887 14.241 -2.533 1.00 64.12 O ATOM 0 H GLY A 44 -7.946 16.488 0.998 1.00 63.01 H new ATOM 0 HA2 GLY A 44 -9.661 15.579 -0.124 1.00 34.31 H new ATOM 0 HA3 GLY A 44 -9.289 16.559 -1.529 1.00 34.31 H new ATOM 654 N LEU A 45 -7.226 14.018 -1.007 1.00 64.03 N ATOM 655 CA LEU A 45 -6.642 12.795 -1.627 1.00 20.24 C ATOM 656 C LEU A 45 -7.060 11.502 -0.883 1.00 63.31 C ATOM 657 O LEU A 45 -6.467 10.435 -1.109 1.00 72.22 O ATOM 658 CB LEU A 45 -5.084 12.920 -1.710 1.00 72.21 C ATOM 659 CG LEU A 45 -4.502 13.711 -2.935 1.00 70.11 C ATOM 660 CD1 LEU A 45 -4.908 13.061 -4.267 1.00 44.32 C ATOM 661 CD2 LEU A 45 -4.884 15.206 -2.906 1.00 74.42 C ATOM 0 H LEU A 45 -6.732 14.335 -0.173 1.00 64.03 H new ATOM 0 HA LEU A 45 -7.042 12.716 -2.638 1.00 20.24 H new ATOM 0 HB2 LEU A 45 -4.733 13.401 -0.797 1.00 72.21 H new ATOM 0 HB3 LEU A 45 -4.663 11.915 -1.723 1.00 72.21 H new ATOM 0 HG LEU A 45 -3.416 13.659 -2.852 1.00 70.11 H new ATOM 0 HD11 LEU A 45 -4.488 13.634 -5.094 1.00 44.32 H new ATOM 0 HD12 LEU A 45 -4.529 12.040 -4.304 1.00 44.32 H new ATOM 0 HD13 LEU A 45 -5.995 13.048 -4.349 1.00 44.32 H new ATOM 0 HD21 LEU A 45 -4.457 15.708 -3.774 1.00 74.42 H new ATOM 0 HD22 LEU A 45 -5.969 15.305 -2.927 1.00 74.42 H new ATOM 0 HD23 LEU A 45 -4.496 15.663 -1.996 1.00 74.42 H new ATOM 673 N ASP A 46 -8.070 11.608 0.007 1.00 54.12 N ATOM 674 CA ASP A 46 -8.761 10.435 0.591 1.00 33.24 C ATOM 675 C ASP A 46 -9.237 9.461 -0.523 1.00 30.04 C ATOM 676 O ASP A 46 -10.055 9.817 -1.376 1.00 35.14 O ATOM 677 CB ASP A 46 -9.947 10.885 1.489 1.00 42.55 C ATOM 678 CG ASP A 46 -10.957 11.806 0.787 1.00 71.34 C ATOM 679 OD1 ASP A 46 -10.602 12.962 0.471 1.00 34.41 O ATOM 680 OD2 ASP A 46 -12.106 11.380 0.546 1.00 44.04 O ATOM 0 H ASP A 46 -8.429 12.503 0.340 1.00 54.12 H new ATOM 0 HA ASP A 46 -8.050 9.899 1.220 1.00 33.24 H new ATOM 0 HB2 ASP A 46 -10.470 10.000 1.850 1.00 42.55 H new ATOM 0 HB3 ASP A 46 -9.550 11.400 2.364 1.00 42.55 H new ATOM 685 N GLY A 47 -8.682 8.240 -0.511 1.00 2.21 N ATOM 686 CA GLY A 47 -8.852 7.285 -1.616 1.00 23.11 C ATOM 687 C GLY A 47 -7.520 6.880 -2.234 1.00 41.32 C ATOM 688 O GLY A 47 -7.431 6.682 -3.453 1.00 2.21 O ATOM 0 H GLY A 47 -8.109 7.889 0.256 1.00 2.21 H new ATOM 0 HA2 GLY A 47 -9.367 6.396 -1.250 1.00 23.11 H new ATOM 0 HA3 GLY A 47 -9.487 7.728 -2.383 1.00 23.11 H new ATOM 692 N GLY A 48 -6.471 6.754 -1.393 1.00 50.25 N ATOM 693 CA GLY A 48 -5.154 6.291 -1.839 1.00 11.11 C ATOM 694 C GLY A 48 -4.837 4.916 -1.255 1.00 12.14 C ATOM 695 O GLY A 48 -4.916 4.727 -0.039 1.00 52.32 O ATOM 0 H GLY A 48 -6.519 6.970 -0.397 1.00 50.25 H new ATOM 0 HA2 GLY A 48 -5.130 6.243 -2.928 1.00 11.11 H new ATOM 0 HA3 GLY A 48 -4.390 7.006 -1.534 1.00 11.11 H new ATOM 699 N TYR A 49 -4.473 3.951 -2.115 1.00 54.22 N ATOM 700 CA TYR A 49 -4.320 2.536 -1.719 1.00 34.32 C ATOM 701 C TYR A 49 -2.849 2.083 -1.857 1.00 53.13 C ATOM 702 O TYR A 49 -2.247 2.212 -2.924 1.00 12.43 O ATOM 703 CB TYR A 49 -5.233 1.643 -2.601 1.00 30.34 C ATOM 704 CG TYR A 49 -6.738 1.946 -2.482 1.00 22.11 C ATOM 705 CD1 TYR A 49 -7.338 2.961 -3.235 1.00 11.13 C ATOM 706 CD2 TYR A 49 -7.563 1.207 -1.629 1.00 23.51 C ATOM 707 CE1 TYR A 49 -8.692 3.224 -3.135 1.00 11.33 C ATOM 708 CE2 TYR A 49 -8.917 1.461 -1.536 1.00 23.11 C ATOM 709 CZ TYR A 49 -9.476 2.472 -2.287 1.00 1.24 C ATOM 710 OH TYR A 49 -10.831 2.717 -2.201 1.00 21.55 O ATOM 0 H TYR A 49 -4.277 4.125 -3.101 1.00 54.22 H new ATOM 0 HA TYR A 49 -4.614 2.435 -0.674 1.00 34.32 H new ATOM 0 HB2 TYR A 49 -4.934 1.759 -3.643 1.00 30.34 H new ATOM 0 HB3 TYR A 49 -5.064 0.600 -2.335 1.00 30.34 H new ATOM 0 HD1 TYR A 49 -6.732 3.550 -3.907 1.00 11.13 H new ATOM 0 HD2 TYR A 49 -7.131 0.419 -1.029 1.00 23.51 H new ATOM 0 HE1 TYR A 49 -9.134 4.017 -3.720 1.00 11.33 H new ATOM 0 HE2 TYR A 49 -9.536 0.870 -0.877 1.00 23.11 H new ATOM 0 HH TYR A 49 -11.112 3.273 -2.958 1.00 21.55 H new ATOM 720 N LEU A 50 -2.286 1.542 -0.768 1.00 63.04 N ATOM 721 CA LEU A 50 -0.950 0.913 -0.773 1.00 54.42 C ATOM 722 C LEU A 50 -1.128 -0.597 -0.977 1.00 3.35 C ATOM 723 O LEU A 50 -1.819 -1.248 -0.182 1.00 32.11 O ATOM 724 CB LEU A 50 -0.176 1.189 0.556 1.00 44.44 C ATOM 725 CG LEU A 50 0.317 2.654 0.790 1.00 52.34 C ATOM 726 CD1 LEU A 50 -0.848 3.640 0.988 1.00 32.32 C ATOM 727 CD2 LEU A 50 1.297 2.726 1.976 1.00 12.52 C ATOM 0 H LEU A 50 -2.741 1.526 0.145 1.00 63.04 H new ATOM 0 HA LEU A 50 -0.360 1.342 -1.583 1.00 54.42 H new ATOM 0 HB2 LEU A 50 -0.821 0.910 1.389 1.00 44.44 H new ATOM 0 HB3 LEU A 50 0.691 0.529 0.588 1.00 44.44 H new ATOM 0 HG LEU A 50 0.844 2.956 -0.115 1.00 52.34 H new ATOM 0 HD11 LEU A 50 -0.453 4.643 1.147 1.00 32.32 H new ATOM 0 HD12 LEU A 50 -1.483 3.636 0.102 1.00 32.32 H new ATOM 0 HD13 LEU A 50 -1.435 3.340 1.856 1.00 32.32 H new ATOM 0 HD21 LEU A 50 1.624 3.756 2.116 1.00 12.52 H new ATOM 0 HD22 LEU A 50 0.799 2.377 2.881 1.00 12.52 H new ATOM 0 HD23 LEU A 50 2.162 2.096 1.772 1.00 12.52 H new ATOM 739 N LEU A 51 -0.523 -1.159 -2.035 1.00 32.42 N ATOM 740 CA LEU A 51 -0.682 -2.590 -2.350 1.00 44.32 C ATOM 741 C LEU A 51 0.581 -3.372 -1.934 1.00 41.54 C ATOM 742 O LEU A 51 1.636 -3.268 -2.557 1.00 42.11 O ATOM 743 CB LEU A 51 -0.988 -2.779 -3.860 1.00 63.34 C ATOM 744 CG LEU A 51 -1.322 -4.239 -4.304 1.00 51.15 C ATOM 745 CD1 LEU A 51 -2.486 -4.828 -3.482 1.00 14.40 C ATOM 746 CD2 LEU A 51 -1.628 -4.301 -5.815 1.00 34.20 C ATOM 0 H LEU A 51 0.077 -0.650 -2.684 1.00 32.42 H new ATOM 0 HA LEU A 51 -1.525 -2.986 -1.784 1.00 44.32 H new ATOM 0 HB2 LEU A 51 -1.828 -2.137 -4.125 1.00 63.34 H new ATOM 0 HB3 LEU A 51 -0.128 -2.432 -4.433 1.00 63.34 H new ATOM 0 HG LEU A 51 -0.440 -4.850 -4.111 1.00 51.15 H new ATOM 0 HD11 LEU A 51 -2.691 -5.844 -3.818 1.00 14.40 H new ATOM 0 HD12 LEU A 51 -2.215 -4.842 -2.426 1.00 14.40 H new ATOM 0 HD13 LEU A 51 -3.376 -4.214 -3.620 1.00 14.40 H new ATOM 0 HD21 LEU A 51 -1.857 -5.328 -6.098 1.00 34.20 H new ATOM 0 HD22 LEU A 51 -2.483 -3.663 -6.040 1.00 34.20 H new ATOM 0 HD23 LEU A 51 -0.760 -3.955 -6.376 1.00 34.20 H new ATOM 758 N LEU A 52 0.437 -4.169 -0.870 1.00 72.31 N ATOM 759 CA LEU A 52 1.514 -4.996 -0.305 1.00 0.12 C ATOM 760 C LEU A 52 1.499 -6.404 -0.939 1.00 21.41 C ATOM 761 O LEU A 52 0.440 -7.034 -1.054 1.00 20.34 O ATOM 762 CB LEU A 52 1.371 -5.095 1.250 1.00 70.24 C ATOM 763 CG LEU A 52 1.696 -3.816 2.099 1.00 23.12 C ATOM 764 CD1 LEU A 52 3.149 -3.343 1.887 1.00 1.11 C ATOM 765 CD2 LEU A 52 0.685 -2.670 1.858 1.00 52.45 C ATOM 0 H LEU A 52 -0.446 -4.261 -0.367 1.00 72.31 H new ATOM 0 HA LEU A 52 2.469 -4.523 -0.533 1.00 0.12 H new ATOM 0 HB2 LEU A 52 0.347 -5.394 1.474 1.00 70.24 H new ATOM 0 HB3 LEU A 52 2.020 -5.900 1.595 1.00 70.24 H new ATOM 0 HG LEU A 52 1.594 -4.107 3.144 1.00 23.12 H new ATOM 0 HD11 LEU A 52 3.335 -2.455 2.492 1.00 1.11 H new ATOM 0 HD12 LEU A 52 3.836 -4.135 2.184 1.00 1.11 H new ATOM 0 HD13 LEU A 52 3.304 -3.104 0.835 1.00 1.11 H new ATOM 0 HD21 LEU A 52 0.957 -1.810 2.470 1.00 52.45 H new ATOM 0 HD22 LEU A 52 0.701 -2.386 0.806 1.00 52.45 H new ATOM 0 HD23 LEU A 52 -0.316 -3.005 2.128 1.00 52.45 H new ATOM 777 N GLY A 53 2.682 -6.870 -1.367 1.00 73.41 N ATOM 778 CA GLY A 53 2.857 -8.226 -1.906 1.00 41.42 C ATOM 779 C GLY A 53 2.979 -8.251 -3.426 1.00 21.11 C ATOM 780 O GLY A 53 2.539 -9.200 -4.086 1.00 30.34 O ATOM 0 H GLY A 53 3.541 -6.320 -1.349 1.00 73.41 H new ATOM 0 HA2 GLY A 53 3.749 -8.673 -1.468 1.00 41.42 H new ATOM 0 HA3 GLY A 53 2.011 -8.843 -1.605 1.00 41.42 H new ATOM 784 N VAL A 54 3.561 -7.189 -3.997 1.00 4.15 N ATOM 785 CA VAL A 54 3.853 -7.113 -5.442 1.00 2.31 C ATOM 786 C VAL A 54 5.372 -7.079 -5.675 1.00 50.22 C ATOM 787 O VAL A 54 6.076 -6.318 -5.032 1.00 5.21 O ATOM 788 CB VAL A 54 3.205 -5.836 -6.086 1.00 60.31 C ATOM 789 CG1 VAL A 54 3.485 -5.751 -7.609 1.00 31.23 C ATOM 790 CG2 VAL A 54 1.692 -5.795 -5.805 1.00 11.43 C ATOM 0 H VAL A 54 3.844 -6.359 -3.476 1.00 4.15 H new ATOM 0 HA VAL A 54 3.426 -7.998 -5.913 1.00 2.31 H new ATOM 0 HB VAL A 54 3.669 -4.965 -5.623 1.00 60.31 H new ATOM 0 HG11 VAL A 54 3.019 -4.853 -8.015 1.00 31.23 H new ATOM 0 HG12 VAL A 54 4.561 -5.710 -7.779 1.00 31.23 H new ATOM 0 HG13 VAL A 54 3.072 -6.630 -8.104 1.00 31.23 H new ATOM 0 HG21 VAL A 54 1.262 -4.903 -6.260 1.00 11.43 H new ATOM 0 HG22 VAL A 54 1.219 -6.682 -6.228 1.00 11.43 H new ATOM 0 HG23 VAL A 54 1.522 -5.772 -4.729 1.00 11.43 H new ATOM 800 N ASP A 55 5.842 -7.888 -6.629 1.00 40.43 N ATOM 801 CA ASP A 55 7.248 -7.918 -7.066 1.00 33.02 C ATOM 802 C ASP A 55 7.279 -7.456 -8.531 1.00 5.13 C ATOM 803 O ASP A 55 6.554 -7.989 -9.369 1.00 70.53 O ATOM 804 CB ASP A 55 7.805 -9.358 -6.919 1.00 22.22 C ATOM 805 CG ASP A 55 9.319 -9.471 -7.159 1.00 5.33 C ATOM 806 OD1 ASP A 55 9.757 -9.438 -8.328 1.00 12.31 O ATOM 807 OD2 ASP A 55 10.080 -9.585 -6.176 1.00 64.23 O ATOM 0 H ASP A 55 5.251 -8.552 -7.129 1.00 40.43 H new ATOM 0 HA ASP A 55 7.870 -7.261 -6.458 1.00 33.02 H new ATOM 0 HB2 ASP A 55 7.578 -9.724 -5.918 1.00 22.22 H new ATOM 0 HB3 ASP A 55 7.287 -10.010 -7.622 1.00 22.22 H new ATOM 812 N TRP A 56 8.139 -6.486 -8.846 1.00 73.04 N ATOM 813 CA TRP A 56 8.181 -5.865 -10.194 1.00 63.34 C ATOM 814 C TRP A 56 9.473 -6.241 -10.957 1.00 14.20 C ATOM 815 O TRP A 56 10.583 -6.089 -10.445 1.00 64.50 O ATOM 816 CB TRP A 56 7.969 -4.323 -10.098 1.00 64.31 C ATOM 817 CG TRP A 56 8.775 -3.631 -9.017 1.00 73.41 C ATOM 818 CD1 TRP A 56 10.016 -3.062 -9.135 1.00 53.50 C ATOM 819 CD2 TRP A 56 8.372 -3.428 -7.652 1.00 2.24 C ATOM 820 NE1 TRP A 56 10.414 -2.547 -7.926 1.00 61.03 N ATOM 821 CE2 TRP A 56 9.423 -2.757 -7.003 1.00 23.43 C ATOM 822 CE3 TRP A 56 7.227 -3.765 -6.915 1.00 5.33 C ATOM 823 CZ2 TRP A 56 9.360 -2.402 -5.658 1.00 63.34 C ATOM 824 CZ3 TRP A 56 7.168 -3.414 -5.581 1.00 21.11 C ATOM 825 CH2 TRP A 56 8.230 -2.743 -4.961 1.00 33.22 C ATOM 0 H TRP A 56 8.822 -6.105 -8.192 1.00 73.04 H new ATOM 0 HA TRP A 56 7.355 -6.268 -10.780 1.00 63.34 H new ATOM 0 HB2 TRP A 56 8.221 -3.876 -11.060 1.00 64.31 H new ATOM 0 HB3 TRP A 56 6.911 -4.127 -9.923 1.00 64.31 H new ATOM 0 HD1 TRP A 56 10.596 -3.024 -10.045 1.00 53.50 H new ATOM 0 HE1 TRP A 56 11.304 -2.083 -7.744 1.00 61.03 H new ATOM 0 HE3 TRP A 56 6.407 -4.289 -7.382 1.00 5.33 H new ATOM 0 HZ2 TRP A 56 10.173 -1.876 -5.180 1.00 63.34 H new ATOM 0 HZ3 TRP A 56 6.288 -3.661 -5.006 1.00 21.11 H new ATOM 0 HH2 TRP A 56 8.157 -2.489 -3.914 1.00 33.22 H new ATOM 836 N ALA A 57 9.302 -6.709 -12.207 1.00 51.13 N ATOM 837 CA ALA A 57 10.390 -7.230 -13.055 1.00 73.33 C ATOM 838 C ALA A 57 10.592 -6.322 -14.286 1.00 2.34 C ATOM 839 O ALA A 57 9.622 -5.894 -14.919 1.00 30.32 O ATOM 840 CB ALA A 57 10.059 -8.672 -13.491 1.00 32.54 C ATOM 0 H ALA A 57 8.390 -6.736 -12.663 1.00 51.13 H new ATOM 0 HA ALA A 57 11.318 -7.238 -12.484 1.00 73.33 H new ATOM 0 HB1 ALA A 57 10.864 -9.056 -14.118 1.00 32.54 H new ATOM 0 HB2 ALA A 57 9.953 -9.304 -12.609 1.00 32.54 H new ATOM 0 HB3 ALA A 57 9.126 -8.677 -14.055 1.00 32.54 H new ATOM 846 N ILE A 58 11.860 -6.019 -14.604 1.00 40.14 N ATOM 847 CA ILE A 58 12.225 -5.131 -15.730 1.00 20.13 C ATOM 848 C ILE A 58 12.561 -5.964 -16.989 1.00 74.11 C ATOM 849 O ILE A 58 13.395 -6.874 -16.939 1.00 51.34 O ATOM 850 CB ILE A 58 13.443 -4.208 -15.345 1.00 3.12 C ATOM 851 CG1 ILE A 58 13.145 -3.415 -14.031 1.00 52.54 C ATOM 852 CG2 ILE A 58 13.824 -3.243 -16.501 1.00 54.31 C ATOM 853 CD1 ILE A 58 11.940 -2.486 -14.086 1.00 25.13 C ATOM 0 H ILE A 58 12.664 -6.380 -14.091 1.00 40.14 H new ATOM 0 HA ILE A 58 11.368 -4.494 -15.950 1.00 20.13 H new ATOM 0 HB ILE A 58 14.301 -4.857 -15.168 1.00 3.12 H new ATOM 0 HG12 ILE A 58 12.994 -4.130 -13.222 1.00 52.54 H new ATOM 0 HG13 ILE A 58 14.025 -2.825 -13.775 1.00 52.54 H new ATOM 0 HG21 ILE A 58 14.668 -2.624 -16.195 1.00 54.31 H new ATOM 0 HG22 ILE A 58 14.099 -3.822 -17.383 1.00 54.31 H new ATOM 0 HG23 ILE A 58 12.973 -2.605 -16.737 1.00 54.31 H new ATOM 0 HD11 ILE A 58 11.822 -1.985 -13.125 1.00 25.13 H new ATOM 0 HD12 ILE A 58 12.090 -1.741 -14.867 1.00 25.13 H new ATOM 0 HD13 ILE A 58 11.043 -3.066 -14.305 1.00 25.13 H new ATOM 865 N ASN A 59 11.900 -5.644 -18.107 1.00 13.52 N ATOM 866 CA ASN A 59 12.128 -6.311 -19.414 1.00 23.34 C ATOM 867 C ASN A 59 13.271 -5.620 -20.220 1.00 52.54 C ATOM 868 O ASN A 59 13.934 -4.702 -19.725 1.00 43.24 O ATOM 869 CB ASN A 59 10.797 -6.327 -20.229 1.00 4.23 C ATOM 870 CG ASN A 59 10.128 -4.955 -20.378 1.00 14.11 C ATOM 871 OD1 ASN A 59 10.762 -3.917 -20.262 1.00 11.23 O ATOM 872 ND2 ASN A 59 8.846 -4.938 -20.674 1.00 14.15 N ATOM 0 H ASN A 59 11.188 -4.914 -18.141 1.00 13.52 H new ATOM 0 HA ASN A 59 12.446 -7.337 -19.229 1.00 23.34 H new ATOM 0 HB2 ASN A 59 10.998 -6.729 -21.222 1.00 4.23 H new ATOM 0 HB3 ASN A 59 10.097 -7.008 -19.745 1.00 4.23 H new ATOM 0 HD21 ASN A 59 8.366 -4.048 -20.811 1.00 14.15 H new ATOM 0 HD22 ASN A 59 8.332 -5.814 -20.767 1.00 14.15 H new ATOM 879 N ASP A 60 13.475 -6.071 -21.472 1.00 63.35 N ATOM 880 CA ASP A 60 14.456 -5.465 -22.420 1.00 54.54 C ATOM 881 C ASP A 60 14.095 -3.996 -22.799 1.00 61.23 C ATOM 882 O ASP A 60 14.960 -3.221 -23.234 1.00 5.43 O ATOM 883 CB ASP A 60 14.536 -6.340 -23.696 1.00 72.43 C ATOM 884 CG ASP A 60 13.165 -6.519 -24.383 1.00 2.31 C ATOM 885 OD1 ASP A 60 12.401 -7.415 -23.968 1.00 4.21 O ATOM 886 OD2 ASP A 60 12.843 -5.750 -25.317 1.00 21.13 O ATOM 0 H ASP A 60 12.969 -6.865 -21.864 1.00 63.35 H new ATOM 0 HA ASP A 60 15.424 -5.432 -21.921 1.00 54.54 H new ATOM 0 HB2 ASP A 60 15.234 -5.886 -24.400 1.00 72.43 H new ATOM 0 HB3 ASP A 60 14.938 -7.319 -23.435 1.00 72.43 H new ATOM 891 N LYS A 61 12.804 -3.650 -22.654 1.00 2.13 N ATOM 892 CA LYS A 61 12.277 -2.290 -22.922 1.00 10.52 C ATOM 893 C LYS A 61 12.667 -1.274 -21.819 1.00 11.43 C ATOM 894 O LYS A 61 12.693 -0.062 -22.065 1.00 2.23 O ATOM 895 CB LYS A 61 10.728 -2.352 -23.047 1.00 61.33 C ATOM 896 CG LYS A 61 10.207 -3.265 -24.182 1.00 13.02 C ATOM 897 CD LYS A 61 10.598 -2.747 -25.586 1.00 71.04 C ATOM 898 CE LYS A 61 10.024 -1.345 -25.877 1.00 73.41 C ATOM 899 NZ LYS A 61 8.543 -1.346 -26.013 1.00 60.12 N ATOM 0 H LYS A 61 12.088 -4.307 -22.346 1.00 2.13 H new ATOM 0 HA LYS A 61 12.723 -1.944 -23.854 1.00 10.52 H new ATOM 0 HB2 LYS A 61 10.314 -2.700 -22.100 1.00 61.33 H new ATOM 0 HB3 LYS A 61 10.349 -1.343 -23.208 1.00 61.33 H new ATOM 0 HG2 LYS A 61 10.604 -4.271 -24.046 1.00 13.02 H new ATOM 0 HG3 LYS A 61 9.122 -3.339 -24.115 1.00 13.02 H new ATOM 0 HD2 LYS A 61 11.684 -2.716 -25.669 1.00 71.04 H new ATOM 0 HD3 LYS A 61 10.240 -3.447 -26.341 1.00 71.04 H new ATOM 0 HE2 LYS A 61 10.310 -0.666 -25.074 1.00 73.41 H new ATOM 0 HE3 LYS A 61 10.468 -0.959 -26.794 1.00 73.41 H new ATOM 0 HZ1 LYS A 61 8.212 -0.380 -26.208 1.00 60.12 H new ATOM 0 HZ2 LYS A 61 8.267 -1.971 -26.797 1.00 60.12 H new ATOM 0 HZ3 LYS A 61 8.114 -1.688 -25.130 1.00 60.12 H new ATOM 913 N GLY A 62 12.960 -1.782 -20.607 1.00 75.15 N ATOM 914 CA GLY A 62 13.166 -0.931 -19.420 1.00 64.03 C ATOM 915 C GLY A 62 11.858 -0.635 -18.667 1.00 51.52 C ATOM 916 O GLY A 62 11.849 0.117 -17.684 1.00 62.52 O ATOM 0 H GLY A 62 13.060 -2.781 -20.424 1.00 75.15 H new ATOM 0 HA2 GLY A 62 13.867 -1.421 -18.744 1.00 64.03 H new ATOM 0 HA3 GLY A 62 13.624 0.009 -19.727 1.00 64.03 H new ATOM 920 N ASP A 63 10.755 -1.243 -19.139 1.00 24.25 N ATOM 921 CA ASP A 63 9.409 -1.103 -18.558 1.00 44.32 C ATOM 922 C ASP A 63 9.277 -1.913 -17.242 1.00 71.23 C ATOM 923 O ASP A 63 9.814 -3.023 -17.119 1.00 52.31 O ATOM 924 CB ASP A 63 8.365 -1.559 -19.615 1.00 3.43 C ATOM 925 CG ASP A 63 6.919 -1.590 -19.096 1.00 14.34 C ATOM 926 OD1 ASP A 63 6.333 -0.509 -18.870 1.00 13.03 O ATOM 927 OD2 ASP A 63 6.368 -2.690 -18.910 1.00 21.10 O ATOM 0 H ASP A 63 10.776 -1.858 -19.952 1.00 24.25 H new ATOM 0 HA ASP A 63 9.229 -0.060 -18.299 1.00 44.32 H new ATOM 0 HB2 ASP A 63 8.417 -0.890 -20.474 1.00 3.43 H new ATOM 0 HB3 ASP A 63 8.634 -2.554 -19.970 1.00 3.43 H new ATOM 932 N THR A 64 8.544 -1.335 -16.272 1.00 74.12 N ATOM 933 CA THR A 64 8.323 -1.939 -14.941 1.00 73.53 C ATOM 934 C THR A 64 7.003 -2.745 -14.929 1.00 63.41 C ATOM 935 O THR A 64 5.909 -2.168 -14.961 1.00 72.31 O ATOM 936 CB THR A 64 8.291 -0.835 -13.821 1.00 74.41 C ATOM 937 OG1 THR A 64 9.495 -0.038 -13.878 1.00 61.41 O ATOM 938 CG2 THR A 64 8.154 -1.440 -12.408 1.00 12.14 C ATOM 0 H THR A 64 8.085 -0.431 -16.388 1.00 74.12 H new ATOM 0 HA THR A 64 9.153 -2.614 -14.734 1.00 73.53 H new ATOM 0 HB THR A 64 7.415 -0.214 -14.009 1.00 74.41 H new ATOM 0 HG1 THR A 64 9.467 0.648 -13.179 1.00 61.41 H new ATOM 0 HG21 THR A 64 8.136 -0.639 -11.669 1.00 12.14 H new ATOM 0 HG22 THR A 64 7.228 -2.012 -12.345 1.00 12.14 H new ATOM 0 HG23 THR A 64 9.001 -2.097 -12.210 1.00 12.14 H new ATOM 946 N VAL A 65 7.124 -4.083 -14.881 1.00 13.34 N ATOM 947 CA VAL A 65 5.971 -5.012 -14.904 1.00 54.35 C ATOM 948 C VAL A 65 5.669 -5.506 -13.470 1.00 70.23 C ATOM 949 O VAL A 65 6.512 -6.136 -12.846 1.00 51.44 O ATOM 950 CB VAL A 65 6.247 -6.251 -15.836 1.00 33.32 C ATOM 951 CG1 VAL A 65 4.995 -7.167 -15.937 1.00 15.15 C ATOM 952 CG2 VAL A 65 6.734 -5.798 -17.236 1.00 33.50 C ATOM 0 H VAL A 65 8.026 -4.556 -14.825 1.00 13.34 H new ATOM 0 HA VAL A 65 5.113 -4.470 -15.301 1.00 54.35 H new ATOM 0 HB VAL A 65 7.046 -6.839 -15.385 1.00 33.32 H new ATOM 0 HG11 VAL A 65 5.215 -8.014 -16.587 1.00 15.15 H new ATOM 0 HG12 VAL A 65 4.729 -7.531 -14.944 1.00 15.15 H new ATOM 0 HG13 VAL A 65 4.161 -6.599 -16.351 1.00 15.15 H new ATOM 0 HG21 VAL A 65 6.917 -6.674 -17.859 1.00 33.50 H new ATOM 0 HG22 VAL A 65 5.971 -5.174 -17.702 1.00 33.50 H new ATOM 0 HG23 VAL A 65 7.657 -5.227 -17.133 1.00 33.50 H new ATOM 962 N TYR A 66 4.447 -5.271 -12.983 1.00 74.05 N ATOM 963 CA TYR A 66 4.045 -5.600 -11.597 1.00 63.01 C ATOM 964 C TYR A 66 3.425 -7.015 -11.542 1.00 52.51 C ATOM 965 O TYR A 66 2.517 -7.329 -12.313 1.00 41.32 O ATOM 966 CB TYR A 66 3.033 -4.543 -11.083 1.00 2.11 C ATOM 967 CG TYR A 66 3.603 -3.115 -11.002 1.00 14.52 C ATOM 968 CD1 TYR A 66 3.719 -2.318 -12.148 1.00 63.42 C ATOM 969 CD2 TYR A 66 4.040 -2.572 -9.789 1.00 12.33 C ATOM 970 CE1 TYR A 66 4.232 -1.037 -12.079 1.00 72.04 C ATOM 971 CE2 TYR A 66 4.553 -1.290 -9.720 1.00 3.03 C ATOM 972 CZ TYR A 66 4.651 -0.528 -10.867 1.00 23.24 C ATOM 973 OH TYR A 66 5.163 0.751 -10.797 1.00 3.34 O ATOM 0 H TYR A 66 3.701 -4.846 -13.534 1.00 74.05 H new ATOM 0 HA TYR A 66 4.926 -5.587 -10.955 1.00 63.01 H new ATOM 0 HB2 TYR A 66 2.163 -4.539 -11.740 1.00 2.11 H new ATOM 0 HB3 TYR A 66 2.684 -4.840 -10.094 1.00 2.11 H new ATOM 0 HD1 TYR A 66 3.402 -2.712 -13.102 1.00 63.42 H new ATOM 0 HD2 TYR A 66 3.975 -3.166 -8.889 1.00 12.33 H new ATOM 0 HE1 TYR A 66 4.305 -0.435 -12.973 1.00 72.04 H new ATOM 0 HE2 TYR A 66 4.876 -0.886 -8.772 1.00 3.03 H new ATOM 0 HH TYR A 66 5.410 0.954 -9.871 1.00 3.34 H new ATOM 983 N ARG A 67 3.945 -7.866 -10.640 1.00 3.13 N ATOM 984 CA ARG A 67 3.537 -9.289 -10.515 1.00 24.44 C ATOM 985 C ARG A 67 3.039 -9.587 -9.072 1.00 2.34 C ATOM 986 O ARG A 67 3.796 -9.397 -8.117 1.00 55.54 O ATOM 987 CB ARG A 67 4.746 -10.204 -10.863 1.00 30.15 C ATOM 988 CG ARG A 67 5.381 -9.926 -12.248 1.00 24.21 C ATOM 989 CD ARG A 67 6.584 -10.838 -12.542 1.00 73.41 C ATOM 990 NE ARG A 67 7.664 -10.696 -11.540 1.00 42.34 N ATOM 991 CZ ARG A 67 8.600 -11.594 -11.305 1.00 15.13 C ATOM 992 NH1 ARG A 67 8.623 -12.730 -11.935 1.00 61.10 N ATOM 993 NH2 ARG A 67 9.511 -11.359 -10.426 1.00 75.44 N ATOM 0 H ARG A 67 4.664 -7.591 -9.971 1.00 3.13 H new ATOM 0 HA ARG A 67 2.719 -9.488 -11.208 1.00 24.44 H new ATOM 0 HB2 ARG A 67 5.510 -10.083 -10.095 1.00 30.15 H new ATOM 0 HB3 ARG A 67 4.421 -11.244 -10.828 1.00 30.15 H new ATOM 0 HG2 ARG A 67 4.627 -10.064 -13.023 1.00 24.21 H new ATOM 0 HG3 ARG A 67 5.699 -8.885 -12.295 1.00 24.21 H new ATOM 0 HD2 ARG A 67 6.251 -11.876 -12.567 1.00 73.41 H new ATOM 0 HD3 ARG A 67 6.978 -10.606 -13.531 1.00 73.41 H new ATOM 0 HE ARG A 67 7.686 -9.838 -10.989 1.00 42.34 H new ATOM 0 HH11 ARG A 67 7.906 -12.943 -12.629 1.00 61.10 H new ATOM 0 HH12 ARG A 67 9.358 -13.409 -11.736 1.00 61.10 H new ATOM 0 HH21 ARG A 67 9.508 -10.478 -9.912 1.00 75.44 H new ATOM 0 HH22 ARG A 67 10.235 -12.054 -10.244 1.00 75.44 H new ATOM 1007 N PRO A 68 1.760 -10.051 -8.879 1.00 24.31 N ATOM 1008 CA PRO A 68 1.229 -10.403 -7.532 1.00 20.12 C ATOM 1009 C PRO A 68 1.858 -11.701 -6.959 1.00 33.20 C ATOM 1010 O PRO A 68 1.383 -12.813 -7.220 1.00 21.04 O ATOM 1011 CB PRO A 68 -0.289 -10.565 -7.787 1.00 60.14 C ATOM 1012 CG PRO A 68 -0.383 -10.985 -9.226 1.00 10.23 C ATOM 1013 CD PRO A 68 0.735 -10.253 -9.940 1.00 3.40 C ATOM 0 HA PRO A 68 1.464 -9.648 -6.782 1.00 20.12 H new ATOM 0 HB2 PRO A 68 -0.726 -11.313 -7.125 1.00 60.14 H new ATOM 0 HB3 PRO A 68 -0.824 -9.632 -7.610 1.00 60.14 H new ATOM 0 HG2 PRO A 68 -0.271 -12.065 -9.327 1.00 10.23 H new ATOM 0 HG3 PRO A 68 -1.354 -10.724 -9.648 1.00 10.23 H new ATOM 0 HD2 PRO A 68 1.129 -10.838 -10.771 1.00 3.40 H new ATOM 0 HD3 PRO A 68 0.393 -9.304 -10.352 1.00 3.40 H new ATOM 1021 N VAL A 69 2.969 -11.554 -6.219 1.00 33.32 N ATOM 1022 CA VAL A 69 3.668 -12.688 -5.565 1.00 11.54 C ATOM 1023 C VAL A 69 3.152 -12.936 -4.127 1.00 62.03 C ATOM 1024 O VAL A 69 3.464 -13.966 -3.514 1.00 32.05 O ATOM 1025 CB VAL A 69 5.220 -12.445 -5.550 1.00 12.43 C ATOM 1026 CG1 VAL A 69 5.773 -12.372 -6.999 1.00 32.13 C ATOM 1027 CG2 VAL A 69 5.588 -11.167 -4.737 1.00 44.21 C ATOM 0 H VAL A 69 3.412 -10.650 -6.053 1.00 33.32 H new ATOM 0 HA VAL A 69 3.452 -13.581 -6.151 1.00 11.54 H new ATOM 0 HB VAL A 69 5.690 -13.291 -5.049 1.00 12.43 H new ATOM 0 HG11 VAL A 69 6.849 -12.203 -6.970 1.00 32.13 H new ATOM 0 HG12 VAL A 69 5.567 -13.310 -7.515 1.00 32.13 H new ATOM 0 HG13 VAL A 69 5.292 -11.552 -7.531 1.00 32.13 H new ATOM 0 HG21 VAL A 69 6.669 -11.028 -4.747 1.00 44.21 H new ATOM 0 HG22 VAL A 69 5.107 -10.299 -5.187 1.00 44.21 H new ATOM 0 HG23 VAL A 69 5.246 -11.279 -3.708 1.00 44.21 H new ATOM 1037 N GLY A 70 2.372 -11.976 -3.602 1.00 40.54 N ATOM 1038 CA GLY A 70 1.767 -12.073 -2.271 1.00 1.51 C ATOM 1039 C GLY A 70 2.755 -11.832 -1.130 1.00 53.23 C ATOM 1040 O GLY A 70 3.947 -11.571 -1.360 1.00 12.11 O ATOM 0 H GLY A 70 2.145 -11.111 -4.093 1.00 40.54 H new ATOM 0 HA2 GLY A 70 0.955 -11.349 -2.196 1.00 1.51 H new ATOM 0 HA3 GLY A 70 1.324 -13.062 -2.154 1.00 1.51 H new ATOM 1044 N LEU A 71 2.259 -11.887 0.112 1.00 34.50 N ATOM 1045 CA LEU A 71 3.111 -11.816 1.314 1.00 43.24 C ATOM 1046 C LEU A 71 3.233 -13.219 1.949 1.00 4.24 C ATOM 1047 O LEU A 71 2.239 -13.956 1.988 1.00 53.10 O ATOM 1048 CB LEU A 71 2.552 -10.809 2.363 1.00 34.01 C ATOM 1049 CG LEU A 71 2.209 -9.367 1.844 1.00 61.05 C ATOM 1050 CD1 LEU A 71 0.760 -9.277 1.311 1.00 30.30 C ATOM 1051 CD2 LEU A 71 2.470 -8.301 2.925 1.00 53.23 C ATOM 0 H LEU A 71 1.264 -11.981 0.316 1.00 34.50 H new ATOM 0 HA LEU A 71 4.094 -11.461 1.005 1.00 43.24 H new ATOM 0 HB2 LEU A 71 1.649 -11.237 2.798 1.00 34.01 H new ATOM 0 HB3 LEU A 71 3.281 -10.716 3.168 1.00 34.01 H new ATOM 0 HG LEU A 71 2.877 -9.163 1.007 1.00 61.05 H new ATOM 0 HD11 LEU A 71 0.563 -8.263 0.962 1.00 30.30 H new ATOM 0 HD12 LEU A 71 0.632 -9.977 0.485 1.00 30.30 H new ATOM 0 HD13 LEU A 71 0.062 -9.527 2.110 1.00 30.30 H new ATOM 0 HD21 LEU A 71 2.222 -7.315 2.531 1.00 53.23 H new ATOM 0 HD22 LEU A 71 1.852 -8.509 3.798 1.00 53.23 H new ATOM 0 HD23 LEU A 71 3.521 -8.323 3.211 1.00 53.23 H new ATOM 1063 N PRO A 72 4.450 -13.620 2.450 1.00 22.12 N ATOM 1064 CA PRO A 72 4.626 -14.916 3.157 1.00 12.40 C ATOM 1065 C PRO A 72 3.915 -14.928 4.540 1.00 23.24 C ATOM 1066 O PRO A 72 3.452 -15.974 5.008 1.00 64.42 O ATOM 1067 CB PRO A 72 6.166 -15.036 3.287 1.00 34.13 C ATOM 1068 CG PRO A 72 6.666 -13.619 3.278 1.00 54.43 C ATOM 1069 CD PRO A 72 5.730 -12.859 2.357 1.00 51.12 C ATOM 0 HA PRO A 72 4.180 -15.756 2.625 1.00 12.40 H new ATOM 0 HB2 PRO A 72 6.446 -15.548 4.208 1.00 34.13 H new ATOM 0 HB3 PRO A 72 6.589 -15.609 2.462 1.00 34.13 H new ATOM 0 HG2 PRO A 72 6.657 -13.194 4.282 1.00 54.43 H new ATOM 0 HG3 PRO A 72 7.694 -13.569 2.919 1.00 54.43 H new ATOM 0 HD2 PRO A 72 5.605 -11.825 2.677 1.00 51.12 H new ATOM 0 HD3 PRO A 72 6.107 -12.833 1.335 1.00 51.12 H new ATOM 1077 N ASP A 73 3.821 -13.740 5.173 1.00 0.51 N ATOM 1078 CA ASP A 73 3.088 -13.538 6.445 1.00 44.14 C ATOM 1079 C ASP A 73 2.151 -12.296 6.336 1.00 5.21 C ATOM 1080 O ASP A 73 2.407 -11.258 6.963 1.00 75.24 O ATOM 1081 CB ASP A 73 4.090 -13.388 7.622 1.00 54.50 C ATOM 1082 CG ASP A 73 4.912 -14.660 7.887 1.00 64.23 C ATOM 1083 OD1 ASP A 73 5.963 -14.856 7.233 1.00 73.01 O ATOM 1084 OD2 ASP A 73 4.500 -15.483 8.733 1.00 71.31 O ATOM 0 H ASP A 73 4.253 -12.888 4.816 1.00 0.51 H new ATOM 0 HA ASP A 73 2.466 -14.411 6.642 1.00 44.14 H new ATOM 0 HB2 ASP A 73 4.769 -12.563 7.409 1.00 54.50 H new ATOM 0 HB3 ASP A 73 3.541 -13.124 8.526 1.00 54.50 H new ATOM 1089 N PRO A 74 1.031 -12.391 5.539 1.00 74.15 N ATOM 1090 CA PRO A 74 0.125 -11.235 5.272 1.00 74.21 C ATOM 1091 C PRO A 74 -0.742 -10.857 6.499 1.00 10.31 C ATOM 1092 O PRO A 74 -1.171 -9.702 6.640 1.00 0.13 O ATOM 1093 CB PRO A 74 -0.735 -11.748 4.092 1.00 35.23 C ATOM 1094 CG PRO A 74 -0.793 -13.234 4.287 1.00 21.11 C ATOM 1095 CD PRO A 74 0.544 -13.633 4.868 1.00 24.31 C ATOM 0 HA PRO A 74 0.667 -10.316 5.050 1.00 74.21 H new ATOM 0 HB2 PRO A 74 -1.732 -11.307 4.106 1.00 35.23 H new ATOM 0 HB3 PRO A 74 -0.286 -11.491 3.133 1.00 35.23 H new ATOM 0 HG2 PRO A 74 -1.607 -13.507 4.958 1.00 21.11 H new ATOM 0 HG3 PRO A 74 -0.975 -13.744 3.341 1.00 21.11 H new ATOM 0 HD2 PRO A 74 0.442 -14.456 5.576 1.00 24.31 H new ATOM 0 HD3 PRO A 74 1.234 -13.964 4.092 1.00 24.31 H new ATOM 1103 N ASP A 75 -0.967 -11.847 7.381 1.00 74.13 N ATOM 1104 CA ASP A 75 -1.729 -11.674 8.628 1.00 11.01 C ATOM 1105 C ASP A 75 -0.959 -10.753 9.594 1.00 23.13 C ATOM 1106 O ASP A 75 -1.533 -9.829 10.170 1.00 60.13 O ATOM 1107 CB ASP A 75 -1.978 -13.049 9.294 1.00 55.43 C ATOM 1108 CG ASP A 75 -2.525 -14.095 8.311 1.00 12.42 C ATOM 1109 OD1 ASP A 75 -1.711 -14.764 7.629 1.00 52.41 O ATOM 1110 OD2 ASP A 75 -3.759 -14.238 8.198 1.00 3.55 O ATOM 0 H ASP A 75 -0.622 -12.797 7.246 1.00 74.13 H new ATOM 0 HA ASP A 75 -2.690 -11.216 8.393 1.00 11.01 H new ATOM 0 HB2 ASP A 75 -1.045 -13.414 9.724 1.00 55.43 H new ATOM 0 HB3 ASP A 75 -2.682 -12.927 10.117 1.00 55.43 H new ATOM 1115 N LYS A 76 0.360 -11.012 9.724 1.00 63.22 N ATOM 1116 CA LYS A 76 1.259 -10.186 10.557 1.00 54.23 C ATOM 1117 C LYS A 76 1.311 -8.732 10.048 1.00 4.23 C ATOM 1118 O LYS A 76 1.030 -7.809 10.794 1.00 52.33 O ATOM 1119 CB LYS A 76 2.709 -10.743 10.574 1.00 61.31 C ATOM 1120 CG LYS A 76 2.878 -12.160 11.155 1.00 23.15 C ATOM 1121 CD LYS A 76 4.369 -12.548 11.393 1.00 21.12 C ATOM 1122 CE LYS A 76 5.024 -11.844 12.616 1.00 0.42 C ATOM 1123 NZ LYS A 76 5.090 -10.358 12.508 1.00 41.44 N ATOM 0 H LYS A 76 0.827 -11.791 9.260 1.00 63.22 H new ATOM 0 HA LYS A 76 0.849 -10.216 11.566 1.00 54.23 H new ATOM 0 HB2 LYS A 76 3.090 -10.742 9.553 1.00 61.31 H new ATOM 0 HB3 LYS A 76 3.334 -10.059 11.148 1.00 61.31 H new ATOM 0 HG2 LYS A 76 2.336 -12.227 12.098 1.00 23.15 H new ATOM 0 HG3 LYS A 76 2.425 -12.882 10.475 1.00 23.15 H new ATOM 0 HD2 LYS A 76 4.434 -13.627 11.531 1.00 21.12 H new ATOM 0 HD3 LYS A 76 4.943 -12.306 10.498 1.00 21.12 H new ATOM 0 HE2 LYS A 76 4.464 -12.107 13.514 1.00 0.42 H new ATOM 0 HE3 LYS A 76 6.034 -12.232 12.745 1.00 0.42 H new ATOM 0 HZ1 LYS A 76 5.890 -10.004 13.070 1.00 41.44 H new ATOM 0 HZ2 LYS A 76 5.220 -10.088 11.512 1.00 41.44 H new ATOM 0 HZ3 LYS A 76 4.206 -9.944 12.866 1.00 41.44 H new ATOM 1137 N VAL A 77 1.625 -8.566 8.751 1.00 52.12 N ATOM 1138 CA VAL A 77 1.883 -7.242 8.132 1.00 34.42 C ATOM 1139 C VAL A 77 0.664 -6.290 8.260 1.00 33.04 C ATOM 1140 O VAL A 77 0.840 -5.092 8.474 1.00 15.14 O ATOM 1141 CB VAL A 77 2.324 -7.412 6.631 1.00 0.33 C ATOM 1142 CG1 VAL A 77 2.553 -6.047 5.923 1.00 5.12 C ATOM 1143 CG2 VAL A 77 3.596 -8.305 6.543 1.00 32.52 C ATOM 0 H VAL A 77 1.709 -9.344 8.097 1.00 52.12 H new ATOM 0 HA VAL A 77 2.702 -6.776 8.680 1.00 34.42 H new ATOM 0 HB VAL A 77 1.507 -7.904 6.103 1.00 0.33 H new ATOM 0 HG11 VAL A 77 2.856 -6.219 4.890 1.00 5.12 H new ATOM 0 HG12 VAL A 77 1.629 -5.469 5.939 1.00 5.12 H new ATOM 0 HG13 VAL A 77 3.335 -5.494 6.443 1.00 5.12 H new ATOM 0 HG21 VAL A 77 3.892 -8.415 5.500 1.00 32.52 H new ATOM 0 HG22 VAL A 77 4.407 -7.839 7.103 1.00 32.52 H new ATOM 0 HG23 VAL A 77 3.381 -9.287 6.965 1.00 32.52 H new ATOM 1153 N GLN A 78 -0.562 -6.845 8.180 1.00 54.44 N ATOM 1154 CA GLN A 78 -1.810 -6.070 8.413 1.00 74.23 C ATOM 1155 C GLN A 78 -1.890 -5.544 9.875 1.00 12.20 C ATOM 1156 O GLN A 78 -2.184 -4.366 10.113 1.00 4.03 O ATOM 1157 CB GLN A 78 -3.063 -6.935 8.086 1.00 71.14 C ATOM 1158 CG GLN A 78 -4.405 -6.176 8.228 1.00 3.12 C ATOM 1159 CD GLN A 78 -5.646 -6.987 7.850 1.00 62.22 C ATOM 1160 OE1 GLN A 78 -5.595 -7.888 7.028 1.00 51.25 O ATOM 1161 NE2 GLN A 78 -6.786 -6.641 8.416 1.00 1.41 N ATOM 0 H GLN A 78 -0.721 -7.827 7.956 1.00 54.44 H new ATOM 0 HA GLN A 78 -1.790 -5.209 7.745 1.00 74.23 H new ATOM 0 HB2 GLN A 78 -2.976 -7.312 7.067 1.00 71.14 H new ATOM 0 HB3 GLN A 78 -3.076 -7.802 8.746 1.00 71.14 H new ATOM 0 HG2 GLN A 78 -4.509 -5.840 9.260 1.00 3.12 H new ATOM 0 HG3 GLN A 78 -4.368 -5.283 7.604 1.00 3.12 H new ATOM 0 HE21 GLN A 78 -6.807 -5.885 9.101 1.00 1.41 H new ATOM 0 HE22 GLN A 78 -7.647 -7.129 8.169 1.00 1.41 H new ATOM 1170 N ARG A 79 -1.590 -6.434 10.834 1.00 24.12 N ATOM 1171 CA ARG A 79 -1.690 -6.140 12.291 1.00 50.11 C ATOM 1172 C ARG A 79 -0.600 -5.144 12.760 1.00 55.20 C ATOM 1173 O ARG A 79 -0.896 -4.183 13.467 1.00 4.04 O ATOM 1174 CB ARG A 79 -1.582 -7.458 13.105 1.00 13.42 C ATOM 1175 CG ARG A 79 -2.684 -8.488 12.789 1.00 22.43 C ATOM 1176 CD ARG A 79 -2.574 -9.766 13.641 1.00 5.24 C ATOM 1177 NE ARG A 79 -2.797 -9.502 15.083 1.00 43.31 N ATOM 1178 CZ ARG A 79 -3.663 -10.128 15.859 1.00 15.10 C ATOM 1179 NH1 ARG A 79 -4.461 -11.043 15.389 1.00 1.20 N ATOM 1180 NH2 ARG A 79 -3.735 -9.812 17.112 1.00 41.24 N ATOM 0 H ARG A 79 -1.270 -7.381 10.631 1.00 24.12 H new ATOM 0 HA ARG A 79 -2.660 -5.675 12.465 1.00 50.11 H new ATOM 0 HB2 ARG A 79 -0.610 -7.912 12.913 1.00 13.42 H new ATOM 0 HB3 ARG A 79 -1.617 -7.219 14.168 1.00 13.42 H new ATOM 0 HG2 ARG A 79 -3.660 -8.031 12.954 1.00 22.43 H new ATOM 0 HG3 ARG A 79 -2.632 -8.756 11.734 1.00 22.43 H new ATOM 0 HD2 ARG A 79 -3.303 -10.497 13.291 1.00 5.24 H new ATOM 0 HD3 ARG A 79 -1.587 -10.208 13.503 1.00 5.24 H new ATOM 0 HE ARG A 79 -2.231 -8.771 15.514 1.00 43.31 H new ATOM 0 HH11 ARG A 79 -4.426 -11.291 14.400 1.00 1.20 H new ATOM 0 HH12 ARG A 79 -5.121 -11.512 16.010 1.00 1.20 H new ATOM 0 HH21 ARG A 79 -3.127 -9.086 17.491 1.00 41.24 H new ATOM 0 HH22 ARG A 79 -4.400 -10.289 17.721 1.00 41.24 H new ATOM 1194 N ASP A 80 0.655 -5.408 12.354 1.00 43.43 N ATOM 1195 CA ASP A 80 1.827 -4.566 12.676 1.00 53.21 C ATOM 1196 C ASP A 80 1.710 -3.165 12.031 1.00 10.32 C ATOM 1197 O ASP A 80 2.144 -2.177 12.620 1.00 31.32 O ATOM 1198 CB ASP A 80 3.137 -5.264 12.211 1.00 11.23 C ATOM 1199 CG ASP A 80 3.391 -6.610 12.921 1.00 4.43 C ATOM 1200 OD1 ASP A 80 3.457 -6.630 14.169 1.00 21.41 O ATOM 1201 OD2 ASP A 80 3.565 -7.649 12.241 1.00 12.24 O ATOM 0 H ASP A 80 0.889 -6.222 11.786 1.00 43.43 H new ATOM 0 HA ASP A 80 1.857 -4.436 13.758 1.00 53.21 H new ATOM 0 HB2 ASP A 80 3.090 -5.431 11.135 1.00 11.23 H new ATOM 0 HB3 ASP A 80 3.981 -4.599 12.394 1.00 11.23 H new ATOM 1206 N LEU A 81 1.110 -3.093 10.825 1.00 64.54 N ATOM 1207 CA LEU A 81 0.898 -1.808 10.111 1.00 72.55 C ATOM 1208 C LEU A 81 -0.192 -0.957 10.800 1.00 3.03 C ATOM 1209 O LEU A 81 -0.045 0.258 10.925 1.00 34.22 O ATOM 1210 CB LEU A 81 0.546 -2.052 8.619 1.00 40.22 C ATOM 1211 CG LEU A 81 0.509 -0.789 7.689 1.00 54.13 C ATOM 1212 CD1 LEU A 81 1.796 0.053 7.813 1.00 33.13 C ATOM 1213 CD2 LEU A 81 0.261 -1.201 6.222 1.00 33.32 C ATOM 0 H LEU A 81 0.762 -3.909 10.321 1.00 64.54 H new ATOM 0 HA LEU A 81 1.833 -1.249 10.152 1.00 72.55 H new ATOM 0 HB2 LEU A 81 1.271 -2.756 8.209 1.00 40.22 H new ATOM 0 HB3 LEU A 81 -0.429 -2.536 8.574 1.00 40.22 H new ATOM 0 HG LEU A 81 -0.320 -0.163 8.019 1.00 54.13 H new ATOM 0 HD11 LEU A 81 1.730 0.918 7.153 1.00 33.13 H new ATOM 0 HD12 LEU A 81 1.912 0.390 8.843 1.00 33.13 H new ATOM 0 HD13 LEU A 81 2.656 -0.554 7.531 1.00 33.13 H new ATOM 0 HD21 LEU A 81 0.239 -0.311 5.593 1.00 33.32 H new ATOM 0 HD22 LEU A 81 1.062 -1.861 5.889 1.00 33.32 H new ATOM 0 HD23 LEU A 81 -0.693 -1.722 6.147 1.00 33.32 H new ATOM 1225 N ALA A 82 -1.283 -1.611 11.236 1.00 61.04 N ATOM 1226 CA ALA A 82 -2.364 -0.958 12.022 1.00 52.43 C ATOM 1227 C ALA A 82 -1.846 -0.483 13.408 1.00 72.31 C ATOM 1228 O ALA A 82 -2.229 0.587 13.899 1.00 45.13 O ATOM 1229 CB ALA A 82 -3.552 -1.926 12.186 1.00 14.45 C ATOM 0 H ALA A 82 -1.447 -2.602 11.059 1.00 61.04 H new ATOM 0 HA ALA A 82 -2.699 -0.075 11.477 1.00 52.43 H new ATOM 0 HB1 ALA A 82 -4.340 -1.441 12.763 1.00 14.45 H new ATOM 0 HB2 ALA A 82 -3.937 -2.199 11.204 1.00 14.45 H new ATOM 0 HB3 ALA A 82 -3.221 -2.824 12.708 1.00 14.45 H new ATOM 1235 N SER A 83 -0.952 -1.298 14.004 1.00 33.01 N ATOM 1236 CA SER A 83 -0.316 -1.013 15.312 1.00 72.41 C ATOM 1237 C SER A 83 0.593 0.232 15.231 1.00 14.13 C ATOM 1238 O SER A 83 0.456 1.164 16.028 1.00 43.54 O ATOM 1239 CB SER A 83 0.505 -2.236 15.785 1.00 62.40 C ATOM 1240 OG SER A 83 1.080 -2.026 17.068 1.00 20.33 O ATOM 0 H SER A 83 -0.647 -2.179 13.590 1.00 33.01 H new ATOM 0 HA SER A 83 -1.108 -0.811 16.034 1.00 72.41 H new ATOM 0 HB2 SER A 83 -0.139 -3.115 15.815 1.00 62.40 H new ATOM 0 HB3 SER A 83 1.295 -2.444 15.063 1.00 62.40 H new ATOM 0 HG SER A 83 1.589 -2.821 17.332 1.00 20.33 H new ATOM 1246 N GLN A 84 1.517 0.242 14.243 1.00 41.24 N ATOM 1247 CA GLN A 84 2.427 1.384 14.011 1.00 50.24 C ATOM 1248 C GLN A 84 1.661 2.628 13.498 1.00 23.21 C ATOM 1249 O GLN A 84 2.078 3.739 13.749 1.00 52.41 O ATOM 1250 CB GLN A 84 3.610 1.011 13.067 1.00 14.41 C ATOM 1251 CG GLN A 84 3.244 0.750 11.590 1.00 73.52 C ATOM 1252 CD GLN A 84 4.445 0.389 10.692 1.00 33.52 C ATOM 1253 OE1 GLN A 84 4.500 0.754 9.523 1.00 13.22 O ATOM 1254 NE2 GLN A 84 5.396 -0.367 11.213 1.00 3.24 N ATOM 0 H GLN A 84 1.651 -0.532 13.592 1.00 41.24 H new ATOM 0 HA GLN A 84 2.862 1.642 14.977 1.00 50.24 H new ATOM 0 HB2 GLN A 84 4.344 1.816 13.102 1.00 14.41 H new ATOM 0 HB3 GLN A 84 4.097 0.119 13.463 1.00 14.41 H new ATOM 0 HG2 GLN A 84 2.516 -0.060 11.546 1.00 73.52 H new ATOM 0 HG3 GLN A 84 2.757 1.638 11.186 1.00 73.52 H new ATOM 0 HE21 GLN A 84 5.336 -0.663 12.187 1.00 3.24 H new ATOM 0 HE22 GLN A 84 6.190 -0.655 10.641 1.00 3.24 H new ATOM 1263 N CYS A 85 0.540 2.438 12.772 1.00 64.34 N ATOM 1264 CA CYS A 85 -0.312 3.571 12.294 1.00 74.11 C ATOM 1265 C CYS A 85 -0.871 4.416 13.470 1.00 0.25 C ATOM 1266 O CYS A 85 -1.161 5.607 13.310 1.00 64.14 O ATOM 1267 CB CYS A 85 -1.472 3.057 11.417 1.00 54.13 C ATOM 1268 SG CYS A 85 -2.481 4.360 10.671 1.00 25.35 S ATOM 0 H CYS A 85 0.196 1.517 12.499 1.00 64.34 H new ATOM 0 HA CYS A 85 0.329 4.216 11.693 1.00 74.11 H new ATOM 0 HB2 CYS A 85 -1.062 2.433 10.623 1.00 54.13 H new ATOM 0 HB3 CYS A 85 -2.115 2.419 12.024 1.00 54.13 H new ATOM 0 HG CYS A 85 -2.608 4.135 9.397 1.00 25.35 H new ATOM 1274 N ALA A 86 -1.035 3.783 14.645 1.00 23.10 N ATOM 1275 CA ALA A 86 -1.430 4.478 15.891 1.00 42.14 C ATOM 1276 C ALA A 86 -0.191 4.951 16.708 1.00 54.04 C ATOM 1277 O ALA A 86 -0.113 6.113 17.116 1.00 60.23 O ATOM 1278 CB ALA A 86 -2.325 3.560 16.736 1.00 33.42 C ATOM 0 H ALA A 86 -0.899 2.779 14.761 1.00 23.10 H new ATOM 0 HA ALA A 86 -1.991 5.372 15.618 1.00 42.14 H new ATOM 0 HB1 ALA A 86 -2.613 4.076 17.652 1.00 33.42 H new ATOM 0 HB2 ALA A 86 -3.219 3.301 16.169 1.00 33.42 H new ATOM 0 HB3 ALA A 86 -1.779 2.651 16.988 1.00 33.42 H new ATOM 1284 N SER A 87 0.776 4.036 16.933 1.00 21.30 N ATOM 1285 CA SER A 87 1.964 4.289 17.808 1.00 31.10 C ATOM 1286 C SER A 87 2.955 5.327 17.216 1.00 4.34 C ATOM 1287 O SER A 87 3.616 6.051 17.965 1.00 34.54 O ATOM 1288 CB SER A 87 2.700 2.960 18.106 1.00 21.13 C ATOM 1289 OG SER A 87 3.851 3.147 18.932 1.00 43.21 O ATOM 0 H SER A 87 0.765 3.103 16.521 1.00 21.30 H new ATOM 0 HA SER A 87 1.581 4.718 18.734 1.00 31.10 H new ATOM 0 HB2 SER A 87 2.013 2.270 18.596 1.00 21.13 H new ATOM 0 HB3 SER A 87 3.002 2.497 17.167 1.00 21.13 H new ATOM 0 HG SER A 87 4.281 2.282 19.094 1.00 43.21 H new ATOM 1295 N MET A 88 3.066 5.375 15.880 1.00 41.31 N ATOM 1296 CA MET A 88 3.908 6.369 15.165 1.00 60.40 C ATOM 1297 C MET A 88 3.208 7.737 15.077 1.00 63.41 C ATOM 1298 O MET A 88 3.812 8.767 15.340 1.00 11.34 O ATOM 1299 CB MET A 88 4.234 5.900 13.719 1.00 23.41 C ATOM 1300 CG MET A 88 5.217 4.733 13.601 1.00 2.04 C ATOM 1301 SD MET A 88 6.908 5.220 14.017 1.00 1.11 S ATOM 1302 CE MET A 88 7.860 4.218 12.875 1.00 0.31 C ATOM 0 H MET A 88 2.579 4.730 15.258 1.00 41.31 H new ATOM 0 HA MET A 88 4.830 6.462 15.740 1.00 60.40 H new ATOM 0 HB2 MET A 88 3.302 5.615 13.231 1.00 23.41 H new ATOM 0 HB3 MET A 88 4.638 6.747 13.165 1.00 23.41 H new ATOM 0 HG2 MET A 88 4.900 3.925 14.261 1.00 2.04 H new ATOM 0 HG3 MET A 88 5.193 4.341 12.584 1.00 2.04 H new ATOM 0 HE1 MET A 88 8.757 3.851 13.374 1.00 0.31 H new ATOM 0 HE2 MET A 88 7.258 3.372 12.544 1.00 0.31 H new ATOM 0 HE3 MET A 88 8.145 4.821 12.013 1.00 0.31 H new ATOM 1312 N LEU A 89 1.934 7.735 14.664 1.00 22.04 N ATOM 1313 CA LEU A 89 1.238 8.975 14.260 1.00 12.01 C ATOM 1314 C LEU A 89 0.556 9.688 15.446 1.00 24.54 C ATOM 1315 O LEU A 89 0.161 9.056 16.431 1.00 22.15 O ATOM 1316 CB LEU A 89 0.236 8.657 13.117 1.00 33.23 C ATOM 1317 CG LEU A 89 0.850 7.912 11.875 1.00 71.23 C ATOM 1318 CD1 LEU A 89 -0.160 7.812 10.708 1.00 2.11 C ATOM 1319 CD2 LEU A 89 2.186 8.557 11.425 1.00 64.15 C ATOM 0 H LEU A 89 1.361 6.894 14.599 1.00 22.04 H new ATOM 0 HA LEU A 89 1.984 9.678 13.890 1.00 12.01 H new ATOM 0 HB2 LEU A 89 -0.572 8.048 13.523 1.00 33.23 H new ATOM 0 HB3 LEU A 89 -0.210 9.591 12.776 1.00 33.23 H new ATOM 0 HG LEU A 89 1.074 6.893 12.190 1.00 71.23 H new ATOM 0 HD11 LEU A 89 0.303 7.291 9.870 1.00 2.11 H new ATOM 0 HD12 LEU A 89 -1.041 7.261 11.036 1.00 2.11 H new ATOM 0 HD13 LEU A 89 -0.454 8.814 10.395 1.00 2.11 H new ATOM 0 HD21 LEU A 89 2.580 8.015 10.565 1.00 64.15 H new ATOM 0 HD22 LEU A 89 2.013 9.598 11.151 1.00 64.15 H new ATOM 0 HD23 LEU A 89 2.905 8.512 12.243 1.00 64.15 H new ATOM 1331 N ASN A 90 0.447 11.022 15.313 1.00 55.23 N ATOM 1332 CA ASN A 90 -0.124 11.937 16.330 1.00 21.41 C ATOM 1333 C ASN A 90 -1.565 11.529 16.751 1.00 70.11 C ATOM 1334 O ASN A 90 -1.849 11.296 17.928 1.00 23.11 O ATOM 1335 CB ASN A 90 -0.122 13.377 15.730 1.00 4.42 C ATOM 1336 CG ASN A 90 -0.874 14.433 16.555 1.00 21.32 C ATOM 1337 OD1 ASN A 90 -0.924 14.391 17.773 1.00 33.04 O ATOM 1338 ND2 ASN A 90 -1.477 15.386 15.888 1.00 64.21 N ATOM 0 H ASN A 90 0.761 11.511 14.475 1.00 55.23 H new ATOM 0 HA ASN A 90 0.485 11.888 17.233 1.00 21.41 H new ATOM 0 HB2 ASN A 90 0.912 13.702 15.610 1.00 4.42 H new ATOM 0 HB3 ASN A 90 -0.561 13.338 14.733 1.00 4.42 H new ATOM 0 HD21 ASN A 90 -1.998 16.107 16.387 1.00 64.21 H new ATOM 0 HD22 ASN A 90 -1.426 15.407 14.870 1.00 64.21 H new ATOM 1345 N VAL A 91 -2.463 11.482 15.764 1.00 11.03 N ATOM 1346 CA VAL A 91 -3.884 11.142 15.968 1.00 11.12 C ATOM 1347 C VAL A 91 -4.134 9.685 15.528 1.00 24.31 C ATOM 1348 O VAL A 91 -3.471 9.190 14.605 1.00 73.01 O ATOM 1349 CB VAL A 91 -4.800 12.137 15.166 1.00 42.00 C ATOM 1350 CG1 VAL A 91 -6.308 11.893 15.423 1.00 74.12 C ATOM 1351 CG2 VAL A 91 -4.419 13.599 15.499 1.00 21.32 C ATOM 0 H VAL A 91 -2.228 11.679 14.791 1.00 11.03 H new ATOM 0 HA VAL A 91 -4.132 11.234 17.026 1.00 11.12 H new ATOM 0 HB VAL A 91 -4.628 11.953 14.106 1.00 42.00 H new ATOM 0 HG11 VAL A 91 -6.896 12.607 14.845 1.00 74.12 H new ATOM 0 HG12 VAL A 91 -6.569 10.879 15.121 1.00 74.12 H new ATOM 0 HG13 VAL A 91 -6.522 12.022 16.484 1.00 74.12 H new ATOM 0 HG21 VAL A 91 -5.060 14.279 14.938 1.00 21.32 H new ATOM 0 HG22 VAL A 91 -4.550 13.775 16.567 1.00 21.32 H new ATOM 0 HG23 VAL A 91 -3.378 13.775 15.227 1.00 21.32 H new ATOM 1361 N ALA A 92 -5.063 8.990 16.214 1.00 1.42 N ATOM 1362 CA ALA A 92 -5.383 7.586 15.902 1.00 24.42 C ATOM 1363 C ALA A 92 -6.083 7.474 14.527 1.00 63.15 C ATOM 1364 O ALA A 92 -7.288 7.716 14.396 1.00 32.42 O ATOM 1365 CB ALA A 92 -6.236 6.975 17.028 1.00 2.14 C ATOM 0 H ALA A 92 -5.603 9.379 16.987 1.00 1.42 H new ATOM 0 HA ALA A 92 -4.455 7.018 15.838 1.00 24.42 H new ATOM 0 HB1 ALA A 92 -6.467 5.937 16.787 1.00 2.14 H new ATOM 0 HB2 ALA A 92 -5.683 7.015 17.966 1.00 2.14 H new ATOM 0 HB3 ALA A 92 -7.163 7.539 17.129 1.00 2.14 H new ATOM 1371 N LEU A 93 -5.278 7.156 13.503 1.00 3.01 N ATOM 1372 CA LEU A 93 -5.743 6.943 12.122 1.00 44.15 C ATOM 1373 C LEU A 93 -6.290 5.500 12.015 1.00 34.43 C ATOM 1374 O LEU A 93 -5.695 4.567 12.563 1.00 0.23 O ATOM 1375 CB LEU A 93 -4.544 7.221 11.141 1.00 0.32 C ATOM 1376 CG LEU A 93 -4.869 7.513 9.624 1.00 42.42 C ATOM 1377 CD1 LEU A 93 -3.641 8.118 8.898 1.00 44.51 C ATOM 1378 CD2 LEU A 93 -5.355 6.258 8.861 1.00 21.02 C ATOM 0 H LEU A 93 -4.271 7.037 13.611 1.00 3.01 H new ATOM 0 HA LEU A 93 -6.549 7.624 11.849 1.00 44.15 H new ATOM 0 HB2 LEU A 93 -3.986 8.072 11.531 1.00 0.32 H new ATOM 0 HB3 LEU A 93 -3.878 6.359 11.178 1.00 0.32 H new ATOM 0 HG LEU A 93 -5.685 8.236 9.625 1.00 42.42 H new ATOM 0 HD11 LEU A 93 -3.893 8.309 7.855 1.00 44.51 H new ATOM 0 HD12 LEU A 93 -3.358 9.054 9.380 1.00 44.51 H new ATOM 0 HD13 LEU A 93 -2.807 7.417 8.947 1.00 44.51 H new ATOM 0 HD21 LEU A 93 -5.563 6.521 7.824 1.00 21.02 H new ATOM 0 HD22 LEU A 93 -4.582 5.490 8.893 1.00 21.02 H new ATOM 0 HD23 LEU A 93 -6.263 5.877 9.328 1.00 21.02 H new ATOM 1390 N ARG A 94 -7.444 5.332 11.341 1.00 53.15 N ATOM 1391 CA ARG A 94 -8.065 4.005 11.110 1.00 54.14 C ATOM 1392 C ARG A 94 -7.895 3.591 9.617 1.00 34.51 C ATOM 1393 O ARG A 94 -8.696 3.969 8.753 1.00 43.42 O ATOM 1394 CB ARG A 94 -9.569 3.955 11.591 1.00 73.22 C ATOM 1395 CG ARG A 94 -10.596 4.908 10.905 1.00 4.11 C ATOM 1396 CD ARG A 94 -10.398 6.396 11.253 1.00 14.30 C ATOM 1397 NE ARG A 94 -10.497 6.655 12.699 1.00 24.21 N ATOM 1398 CZ ARG A 94 -10.312 7.816 13.287 1.00 42.41 C ATOM 1399 NH1 ARG A 94 -9.999 8.883 12.612 1.00 4.20 N ATOM 1400 NH2 ARG A 94 -10.455 7.896 14.565 1.00 65.53 N ATOM 0 H ARG A 94 -7.974 6.107 10.941 1.00 53.15 H new ATOM 0 HA ARG A 94 -7.543 3.270 11.722 1.00 54.14 H new ATOM 0 HB2 ARG A 94 -9.926 2.933 11.462 1.00 73.22 H new ATOM 0 HB3 ARG A 94 -9.583 4.165 12.661 1.00 73.22 H new ATOM 0 HG2 ARG A 94 -10.525 4.785 9.824 1.00 4.11 H new ATOM 0 HG3 ARG A 94 -11.603 4.609 11.194 1.00 4.11 H new ATOM 0 HD2 ARG A 94 -9.422 6.723 10.895 1.00 14.30 H new ATOM 0 HD3 ARG A 94 -11.146 6.991 10.729 1.00 14.30 H new ATOM 0 HE ARG A 94 -10.730 5.863 13.298 1.00 24.21 H new ATOM 0 HH11 ARG A 94 -9.891 8.832 11.599 1.00 4.20 H new ATOM 0 HH12 ARG A 94 -9.862 9.770 13.096 1.00 4.20 H new ATOM 0 HH21 ARG A 94 -10.708 7.067 15.103 1.00 65.53 H new ATOM 0 HH22 ARG A 94 -10.316 8.788 15.039 1.00 65.53 H new ATOM 1414 N PRO A 95 -6.785 2.859 9.269 1.00 24.44 N ATOM 1415 CA PRO A 95 -6.547 2.406 7.889 1.00 35.33 C ATOM 1416 C PRO A 95 -7.398 1.159 7.544 1.00 42.32 C ATOM 1417 O PRO A 95 -7.287 0.100 8.180 1.00 34.40 O ATOM 1418 CB PRO A 95 -5.028 2.123 7.858 1.00 53.31 C ATOM 1419 CG PRO A 95 -4.664 1.769 9.274 1.00 70.31 C ATOM 1420 CD PRO A 95 -5.687 2.436 10.180 1.00 32.12 C ATOM 0 HA PRO A 95 -6.840 3.141 7.139 1.00 35.33 H new ATOM 0 HB2 PRO A 95 -4.793 1.306 7.175 1.00 53.31 H new ATOM 0 HB3 PRO A 95 -4.472 2.995 7.515 1.00 53.31 H new ATOM 0 HG2 PRO A 95 -4.672 0.688 9.415 1.00 70.31 H new ATOM 0 HG3 PRO A 95 -3.657 2.114 9.510 1.00 70.31 H new ATOM 0 HD2 PRO A 95 -6.049 1.746 10.942 1.00 32.12 H new ATOM 0 HD3 PRO A 95 -5.255 3.290 10.702 1.00 32.12 H new ATOM 1428 N GLU A 96 -8.267 1.324 6.543 1.00 53.43 N ATOM 1429 CA GLU A 96 -9.182 0.268 6.075 1.00 42.03 C ATOM 1430 C GLU A 96 -8.373 -0.790 5.288 1.00 15.34 C ATOM 1431 O GLU A 96 -7.861 -0.500 4.210 1.00 74.22 O ATOM 1432 CB GLU A 96 -10.289 0.917 5.207 1.00 30.23 C ATOM 1433 CG GLU A 96 -11.356 -0.039 4.637 1.00 62.41 C ATOM 1434 CD GLU A 96 -12.427 0.703 3.806 1.00 41.31 C ATOM 1435 OE1 GLU A 96 -13.377 1.261 4.400 1.00 54.42 O ATOM 1436 OE2 GLU A 96 -12.310 0.759 2.567 1.00 54.43 O ATOM 0 H GLU A 96 -8.360 2.199 6.028 1.00 53.43 H new ATOM 0 HA GLU A 96 -9.661 -0.236 6.914 1.00 42.03 H new ATOM 0 HB2 GLU A 96 -10.793 1.675 5.806 1.00 30.23 H new ATOM 0 HB3 GLU A 96 -9.812 1.434 4.374 1.00 30.23 H new ATOM 0 HG2 GLU A 96 -10.871 -0.790 4.013 1.00 62.41 H new ATOM 0 HG3 GLU A 96 -11.840 -0.570 5.457 1.00 62.41 H new ATOM 1443 N MET A 97 -8.206 -1.993 5.869 1.00 23.41 N ATOM 1444 CA MET A 97 -7.333 -3.053 5.304 1.00 61.02 C ATOM 1445 C MET A 97 -8.139 -4.303 4.904 1.00 74.43 C ATOM 1446 O MET A 97 -8.968 -4.795 5.674 1.00 43.54 O ATOM 1447 CB MET A 97 -6.235 -3.445 6.322 1.00 34.41 C ATOM 1448 CG MET A 97 -5.270 -2.319 6.683 1.00 23.05 C ATOM 1449 SD MET A 97 -4.019 -2.873 7.854 1.00 45.54 S ATOM 1450 CE MET A 97 -3.136 -1.361 8.169 1.00 13.14 C ATOM 0 H MET A 97 -8.667 -2.262 6.738 1.00 23.41 H new ATOM 0 HA MET A 97 -6.869 -2.648 4.405 1.00 61.02 H new ATOM 0 HB2 MET A 97 -6.714 -3.801 7.234 1.00 34.41 H new ATOM 0 HB3 MET A 97 -5.663 -4.279 5.916 1.00 34.41 H new ATOM 0 HG2 MET A 97 -4.786 -1.950 5.779 1.00 23.05 H new ATOM 0 HG3 MET A 97 -5.826 -1.485 7.110 1.00 23.05 H new ATOM 0 HE1 MET A 97 -2.137 -1.426 7.737 1.00 13.14 H new ATOM 0 HE2 MET A 97 -3.672 -0.526 7.719 1.00 13.14 H new ATOM 0 HE3 MET A 97 -3.057 -1.203 9.245 1.00 13.14 H new ATOM 1460 N GLN A 98 -7.869 -4.815 3.694 1.00 74.43 N ATOM 1461 CA GLN A 98 -8.532 -6.011 3.129 1.00 54.42 C ATOM 1462 C GLN A 98 -7.487 -6.958 2.489 1.00 53.43 C ATOM 1463 O GLN A 98 -6.539 -6.502 1.846 1.00 24.25 O ATOM 1464 CB GLN A 98 -9.591 -5.574 2.074 1.00 32.54 C ATOM 1465 CG GLN A 98 -10.873 -4.925 2.644 1.00 60.44 C ATOM 1466 CD GLN A 98 -11.773 -5.912 3.393 1.00 63.02 C ATOM 1467 OE1 GLN A 98 -11.663 -6.094 4.605 1.00 75.44 O ATOM 1468 NE2 GLN A 98 -12.660 -6.575 2.669 1.00 32.10 N ATOM 0 H GLN A 98 -7.175 -4.408 3.068 1.00 74.43 H new ATOM 0 HA GLN A 98 -9.034 -6.552 3.932 1.00 54.42 H new ATOM 0 HB2 GLN A 98 -9.123 -4.869 1.386 1.00 32.54 H new ATOM 0 HB3 GLN A 98 -9.877 -6.448 1.489 1.00 32.54 H new ATOM 0 HG2 GLN A 98 -10.593 -4.116 3.319 1.00 60.44 H new ATOM 0 HG3 GLN A 98 -11.439 -4.477 1.827 1.00 60.44 H new ATOM 0 HE21 GLN A 98 -12.730 -6.404 1.666 1.00 32.10 H new ATOM 0 HE22 GLN A 98 -13.274 -7.257 3.114 1.00 32.10 H new ATOM 1477 N LEU A 99 -7.665 -8.275 2.689 1.00 12.41 N ATOM 1478 CA LEU A 99 -6.789 -9.332 2.119 1.00 34.03 C ATOM 1479 C LEU A 99 -7.487 -10.051 0.930 1.00 42.14 C ATOM 1480 O LEU A 99 -8.480 -10.764 1.118 1.00 21.43 O ATOM 1481 CB LEU A 99 -6.393 -10.339 3.244 1.00 61.00 C ATOM 1482 CG LEU A 99 -5.360 -9.810 4.299 1.00 73.04 C ATOM 1483 CD1 LEU A 99 -5.275 -10.729 5.542 1.00 71.11 C ATOM 1484 CD2 LEU A 99 -3.963 -9.625 3.658 1.00 11.30 C ATOM 0 H LEU A 99 -8.427 -8.647 3.256 1.00 12.41 H new ATOM 0 HA LEU A 99 -5.882 -8.873 1.726 1.00 34.03 H new ATOM 0 HB2 LEU A 99 -7.298 -10.642 3.770 1.00 61.00 H new ATOM 0 HB3 LEU A 99 -5.981 -11.234 2.777 1.00 61.00 H new ATOM 0 HG LEU A 99 -5.718 -8.838 4.639 1.00 73.04 H new ATOM 0 HD11 LEU A 99 -4.548 -10.324 6.245 1.00 71.11 H new ATOM 0 HD12 LEU A 99 -6.252 -10.783 6.022 1.00 71.11 H new ATOM 0 HD13 LEU A 99 -4.965 -11.728 5.235 1.00 71.11 H new ATOM 0 HD21 LEU A 99 -3.264 -9.257 4.409 1.00 11.30 H new ATOM 0 HD22 LEU A 99 -3.611 -10.581 3.271 1.00 11.30 H new ATOM 0 HD23 LEU A 99 -4.030 -8.906 2.842 1.00 11.30 H new ATOM 1496 N GLU A 100 -6.939 -9.863 -0.291 1.00 45.04 N ATOM 1497 CA GLU A 100 -7.492 -10.431 -1.556 1.00 11.42 C ATOM 1498 C GLU A 100 -6.474 -11.388 -2.196 1.00 1.10 C ATOM 1499 O GLU A 100 -5.283 -11.078 -2.273 1.00 24.41 O ATOM 1500 CB GLU A 100 -7.877 -9.319 -2.591 1.00 40.13 C ATOM 1501 CG GLU A 100 -9.209 -8.582 -2.325 1.00 53.41 C ATOM 1502 CD GLU A 100 -9.238 -7.781 -1.018 1.00 54.32 C ATOM 1503 OE1 GLU A 100 -8.389 -6.879 -0.857 1.00 13.22 O ATOM 1504 OE2 GLU A 100 -10.118 -8.036 -0.158 1.00 4.43 O ATOM 0 H GLU A 100 -6.094 -9.310 -0.435 1.00 45.04 H new ATOM 0 HA GLU A 100 -8.401 -10.971 -1.291 1.00 11.42 H new ATOM 0 HB2 GLU A 100 -7.075 -8.581 -2.618 1.00 40.13 H new ATOM 0 HB3 GLU A 100 -7.926 -9.772 -3.581 1.00 40.13 H new ATOM 0 HG2 GLU A 100 -9.409 -7.906 -3.156 1.00 53.41 H new ATOM 0 HG3 GLU A 100 -10.018 -9.313 -2.307 1.00 53.41 H new ATOM 1511 N GLN A 101 -6.955 -12.544 -2.673 1.00 73.32 N ATOM 1512 CA GLN A 101 -6.104 -13.537 -3.352 1.00 53.11 C ATOM 1513 C GLN A 101 -6.114 -13.298 -4.877 1.00 62.10 C ATOM 1514 O GLN A 101 -7.168 -13.362 -5.520 1.00 21.21 O ATOM 1515 CB GLN A 101 -6.528 -14.997 -3.010 1.00 32.20 C ATOM 1516 CG GLN A 101 -6.136 -15.473 -1.587 1.00 40.44 C ATOM 1517 CD GLN A 101 -6.848 -14.736 -0.439 1.00 21.20 C ATOM 1518 OE1 GLN A 101 -7.975 -14.279 -0.575 1.00 65.00 O ATOM 1519 NE2 GLN A 101 -6.201 -14.619 0.701 1.00 22.13 N ATOM 0 H GLN A 101 -7.935 -12.818 -2.602 1.00 73.32 H new ATOM 0 HA GLN A 101 -5.085 -13.408 -2.986 1.00 53.11 H new ATOM 0 HB2 GLN A 101 -7.609 -15.082 -3.121 1.00 32.20 H new ATOM 0 HB3 GLN A 101 -6.079 -15.671 -3.740 1.00 32.20 H new ATOM 0 HG2 GLN A 101 -6.351 -16.538 -1.504 1.00 40.44 H new ATOM 0 HG3 GLN A 101 -5.060 -15.354 -1.463 1.00 40.44 H new ATOM 0 HE21 GLN A 101 -5.262 -15.006 0.797 1.00 22.13 H new ATOM 0 HE22 GLN A 101 -6.638 -14.141 1.489 1.00 22.13 H new ATOM 1528 N VAL A 102 -4.926 -13.009 -5.435 1.00 61.32 N ATOM 1529 CA VAL A 102 -4.730 -12.782 -6.878 1.00 24.23 C ATOM 1530 C VAL A 102 -3.823 -13.900 -7.443 1.00 62.33 C ATOM 1531 O VAL A 102 -2.641 -13.989 -7.078 1.00 61.30 O ATOM 1532 CB VAL A 102 -4.085 -11.375 -7.177 1.00 23.32 C ATOM 1533 CG1 VAL A 102 -4.122 -11.054 -8.690 1.00 63.40 C ATOM 1534 CG2 VAL A 102 -4.744 -10.251 -6.338 1.00 23.30 C ATOM 0 H VAL A 102 -4.066 -12.926 -4.892 1.00 61.32 H new ATOM 0 HA VAL A 102 -5.708 -12.800 -7.359 1.00 24.23 H new ATOM 0 HB VAL A 102 -3.039 -11.424 -6.876 1.00 23.32 H new ATOM 0 HG11 VAL A 102 -3.670 -10.078 -8.866 1.00 63.40 H new ATOM 0 HG12 VAL A 102 -3.566 -11.815 -9.237 1.00 63.40 H new ATOM 0 HG13 VAL A 102 -5.156 -11.043 -9.034 1.00 63.40 H new ATOM 0 HG21 VAL A 102 -4.272 -9.297 -6.573 1.00 23.30 H new ATOM 0 HG22 VAL A 102 -5.807 -10.197 -6.573 1.00 23.30 H new ATOM 0 HG23 VAL A 102 -4.617 -10.467 -5.277 1.00 23.30 H new ATOM 1544 N GLY A 103 -4.385 -14.748 -8.326 1.00 42.53 N ATOM 1545 CA GLY A 103 -3.668 -15.911 -8.881 1.00 53.10 C ATOM 1546 C GLY A 103 -3.188 -16.933 -7.835 1.00 32.24 C ATOM 1547 O GLY A 103 -2.180 -17.613 -8.049 1.00 62.45 O ATOM 0 H GLY A 103 -5.339 -14.648 -8.672 1.00 42.53 H new ATOM 0 HA2 GLY A 103 -4.322 -16.418 -9.591 1.00 53.10 H new ATOM 0 HA3 GLY A 103 -2.805 -15.554 -9.442 1.00 53.10 H new ATOM 1551 N GLY A 104 -3.923 -17.040 -6.707 1.00 53.33 N ATOM 1552 CA GLY A 104 -3.571 -17.956 -5.602 1.00 44.51 C ATOM 1553 C GLY A 104 -2.567 -17.375 -4.584 1.00 73.13 C ATOM 1554 O GLY A 104 -2.075 -18.097 -3.711 1.00 5.44 O ATOM 0 H GLY A 104 -4.770 -16.498 -6.538 1.00 53.33 H new ATOM 0 HA2 GLY A 104 -4.483 -18.236 -5.075 1.00 44.51 H new ATOM 0 HA3 GLY A 104 -3.153 -18.870 -6.024 1.00 44.51 H new ATOM 1558 N LYS A 105 -2.264 -16.069 -4.698 1.00 43.22 N ATOM 1559 CA LYS A 105 -1.340 -15.346 -3.782 1.00 13.32 C ATOM 1560 C LYS A 105 -2.129 -14.350 -2.907 1.00 53.10 C ATOM 1561 O LYS A 105 -2.961 -13.627 -3.428 1.00 13.21 O ATOM 1562 CB LYS A 105 -0.262 -14.561 -4.588 1.00 43.22 C ATOM 1563 CG LYS A 105 0.887 -15.404 -5.188 1.00 52.23 C ATOM 1564 CD LYS A 105 0.511 -16.234 -6.434 1.00 14.15 C ATOM 1565 CE LYS A 105 1.740 -16.956 -7.020 1.00 32.22 C ATOM 1566 NZ LYS A 105 1.407 -17.774 -8.206 1.00 44.40 N ATOM 0 H LYS A 105 -2.652 -15.475 -5.431 1.00 43.22 H new ATOM 0 HA LYS A 105 -0.849 -16.087 -3.151 1.00 13.32 H new ATOM 0 HB2 LYS A 105 -0.759 -14.031 -5.401 1.00 43.22 H new ATOM 0 HB3 LYS A 105 0.173 -13.805 -3.934 1.00 43.22 H new ATOM 0 HG2 LYS A 105 1.708 -14.736 -5.450 1.00 52.23 H new ATOM 0 HG3 LYS A 105 1.260 -16.081 -4.419 1.00 52.23 H new ATOM 0 HD2 LYS A 105 -0.251 -16.967 -6.169 1.00 14.15 H new ATOM 0 HD3 LYS A 105 0.076 -15.581 -7.190 1.00 14.15 H new ATOM 0 HE2 LYS A 105 2.495 -16.218 -7.292 1.00 32.22 H new ATOM 0 HE3 LYS A 105 2.181 -17.595 -6.255 1.00 32.22 H new ATOM 0 HZ1 LYS A 105 2.268 -18.238 -8.561 1.00 44.40 H new ATOM 0 HZ2 LYS A 105 0.707 -18.497 -7.944 1.00 44.40 H new ATOM 0 HZ3 LYS A 105 1.012 -17.163 -8.949 1.00 44.40 H new ATOM 1580 N THR A 106 -1.838 -14.271 -1.593 1.00 74.45 N ATOM 1581 CA THR A 106 -2.560 -13.341 -0.678 1.00 73.21 C ATOM 1582 C THR A 106 -1.882 -11.944 -0.660 1.00 31.04 C ATOM 1583 O THR A 106 -0.719 -11.822 -0.280 1.00 64.50 O ATOM 1584 CB THR A 106 -2.642 -13.897 0.786 1.00 51.40 C ATOM 1585 OG1 THR A 106 -3.215 -15.211 0.784 1.00 51.41 O ATOM 1586 CG2 THR A 106 -3.488 -12.990 1.704 1.00 11.24 C ATOM 0 H THR A 106 -1.117 -14.831 -1.138 1.00 74.45 H new ATOM 0 HA THR A 106 -3.575 -13.249 -1.065 1.00 73.21 H new ATOM 0 HB THR A 106 -1.623 -13.926 1.173 1.00 51.40 H new ATOM 0 HG1 THR A 106 -3.260 -15.550 1.703 1.00 51.41 H new ATOM 0 HG21 THR A 106 -3.517 -13.414 2.708 1.00 11.24 H new ATOM 0 HG22 THR A 106 -3.043 -11.996 1.743 1.00 11.24 H new ATOM 0 HG23 THR A 106 -4.502 -12.919 1.311 1.00 11.24 H new ATOM 1594 N LEU A 107 -2.644 -10.896 -1.031 1.00 32.12 N ATOM 1595 CA LEU A 107 -2.155 -9.490 -1.078 1.00 5.21 C ATOM 1596 C LEU A 107 -2.933 -8.631 -0.058 1.00 1.23 C ATOM 1597 O LEU A 107 -4.067 -8.959 0.299 1.00 25.20 O ATOM 1598 CB LEU A 107 -2.273 -8.866 -2.509 1.00 24.14 C ATOM 1599 CG LEU A 107 -1.211 -9.310 -3.579 1.00 63.25 C ATOM 1600 CD1 LEU A 107 -1.426 -10.761 -4.060 1.00 64.30 C ATOM 1601 CD2 LEU A 107 -1.180 -8.328 -4.777 1.00 2.55 C ATOM 0 H LEU A 107 -3.621 -10.994 -1.309 1.00 32.12 H new ATOM 0 HA LEU A 107 -1.096 -9.503 -0.819 1.00 5.21 H new ATOM 0 HB2 LEU A 107 -3.263 -9.101 -2.899 1.00 24.14 H new ATOM 0 HB3 LEU A 107 -2.219 -7.782 -2.410 1.00 24.14 H new ATOM 0 HG LEU A 107 -0.240 -9.281 -3.085 1.00 63.25 H new ATOM 0 HD11 LEU A 107 -0.665 -11.016 -4.798 1.00 64.30 H new ATOM 0 HD12 LEU A 107 -1.351 -11.441 -3.211 1.00 64.30 H new ATOM 0 HD13 LEU A 107 -2.414 -10.852 -4.511 1.00 64.30 H new ATOM 0 HD21 LEU A 107 -0.436 -8.661 -5.501 1.00 2.55 H new ATOM 0 HD22 LEU A 107 -2.161 -8.301 -5.251 1.00 2.55 H new ATOM 0 HD23 LEU A 107 -0.921 -7.330 -4.423 1.00 2.55 H new ATOM 1613 N LEU A 108 -2.327 -7.509 0.381 1.00 21.41 N ATOM 1614 CA LEU A 108 -2.951 -6.579 1.352 1.00 62.54 C ATOM 1615 C LEU A 108 -3.194 -5.211 0.693 1.00 25.24 C ATOM 1616 O LEU A 108 -2.261 -4.572 0.210 1.00 14.13 O ATOM 1617 CB LEU A 108 -2.068 -6.387 2.616 1.00 23.23 C ATOM 1618 CG LEU A 108 -2.659 -5.428 3.713 1.00 74.22 C ATOM 1619 CD1 LEU A 108 -3.932 -6.022 4.361 1.00 3.13 C ATOM 1620 CD2 LEU A 108 -1.594 -5.070 4.779 1.00 21.53 C ATOM 0 H LEU A 108 -1.397 -7.221 0.076 1.00 21.41 H new ATOM 0 HA LEU A 108 -3.899 -7.019 1.660 1.00 62.54 H new ATOM 0 HB2 LEU A 108 -1.893 -7.363 3.068 1.00 23.23 H new ATOM 0 HB3 LEU A 108 -1.097 -6.001 2.305 1.00 23.23 H new ATOM 0 HG LEU A 108 -2.951 -4.503 3.216 1.00 74.22 H new ATOM 0 HD11 LEU A 108 -4.313 -5.332 5.114 1.00 3.13 H new ATOM 0 HD12 LEU A 108 -4.691 -6.178 3.595 1.00 3.13 H new ATOM 0 HD13 LEU A 108 -3.690 -6.975 4.831 1.00 3.13 H new ATOM 0 HD21 LEU A 108 -2.033 -4.406 5.523 1.00 21.53 H new ATOM 0 HD22 LEU A 108 -1.246 -5.981 5.266 1.00 21.53 H new ATOM 0 HD23 LEU A 108 -0.752 -4.571 4.299 1.00 21.53 H new ATOM 1632 N VAL A 109 -4.453 -4.780 0.676 1.00 54.40 N ATOM 1633 CA VAL A 109 -4.846 -3.443 0.216 1.00 73.24 C ATOM 1634 C VAL A 109 -5.046 -2.525 1.440 1.00 44.34 C ATOM 1635 O VAL A 109 -5.847 -2.837 2.326 1.00 11.05 O ATOM 1636 CB VAL A 109 -6.165 -3.508 -0.624 1.00 45.51 C ATOM 1637 CG1 VAL A 109 -6.562 -2.118 -1.165 1.00 62.34 C ATOM 1638 CG2 VAL A 109 -6.039 -4.529 -1.771 1.00 4.53 C ATOM 0 H VAL A 109 -5.240 -5.352 0.983 1.00 54.40 H new ATOM 0 HA VAL A 109 -4.058 -3.043 -0.422 1.00 73.24 H new ATOM 0 HB VAL A 109 -6.961 -3.841 0.042 1.00 45.51 H new ATOM 0 HG11 VAL A 109 -7.482 -2.202 -1.743 1.00 62.34 H new ATOM 0 HG12 VAL A 109 -6.719 -1.434 -0.331 1.00 62.34 H new ATOM 0 HG13 VAL A 109 -5.766 -1.735 -1.804 1.00 62.34 H new ATOM 0 HG21 VAL A 109 -6.969 -4.555 -2.339 1.00 4.53 H new ATOM 0 HG22 VAL A 109 -5.220 -4.238 -2.429 1.00 4.53 H new ATOM 0 HG23 VAL A 109 -5.839 -5.518 -1.358 1.00 4.53 H new ATOM 1648 N VAL A 110 -4.299 -1.412 1.500 1.00 21.24 N ATOM 1649 CA VAL A 110 -4.410 -0.427 2.597 1.00 25.04 C ATOM 1650 C VAL A 110 -5.014 0.891 2.075 1.00 23.05 C ATOM 1651 O VAL A 110 -4.332 1.691 1.430 1.00 0.44 O ATOM 1652 CB VAL A 110 -3.008 -0.156 3.263 1.00 70.51 C ATOM 1653 CG1 VAL A 110 -3.101 0.859 4.443 1.00 65.34 C ATOM 1654 CG2 VAL A 110 -2.363 -1.484 3.722 1.00 21.23 C ATOM 0 H VAL A 110 -3.603 -1.166 0.796 1.00 21.24 H new ATOM 0 HA VAL A 110 -5.071 -0.844 3.357 1.00 25.04 H new ATOM 0 HB VAL A 110 -2.370 0.300 2.506 1.00 70.51 H new ATOM 0 HG11 VAL A 110 -2.110 1.013 4.869 1.00 65.34 H new ATOM 0 HG12 VAL A 110 -3.490 1.809 4.076 1.00 65.34 H new ATOM 0 HG13 VAL A 110 -3.769 0.466 5.210 1.00 65.34 H new ATOM 0 HG21 VAL A 110 -1.395 -1.279 4.180 1.00 21.23 H new ATOM 0 HG22 VAL A 110 -3.012 -1.972 4.449 1.00 21.23 H new ATOM 0 HG23 VAL A 110 -2.226 -2.139 2.861 1.00 21.23 H new ATOM 1664 N TYR A 111 -6.309 1.085 2.343 1.00 12.42 N ATOM 1665 CA TYR A 111 -6.998 2.363 2.115 1.00 53.11 C ATOM 1666 C TYR A 111 -6.561 3.391 3.181 1.00 12.51 C ATOM 1667 O TYR A 111 -6.702 3.150 4.388 1.00 43.14 O ATOM 1668 CB TYR A 111 -8.538 2.163 2.145 1.00 25.41 C ATOM 1669 CG TYR A 111 -9.361 3.466 2.116 1.00 22.14 C ATOM 1670 CD1 TYR A 111 -9.576 4.161 0.927 1.00 74.34 C ATOM 1671 CD2 TYR A 111 -9.898 4.015 3.289 1.00 22.25 C ATOM 1672 CE1 TYR A 111 -10.294 5.340 0.909 1.00 0.35 C ATOM 1673 CE2 TYR A 111 -10.606 5.198 3.269 1.00 31.53 C ATOM 1674 CZ TYR A 111 -10.803 5.855 2.078 1.00 70.03 C ATOM 1675 OH TYR A 111 -11.500 7.046 2.062 1.00 63.34 O ATOM 0 H TYR A 111 -6.913 0.358 2.726 1.00 12.42 H new ATOM 0 HA TYR A 111 -6.725 2.742 1.130 1.00 53.11 H new ATOM 0 HB2 TYR A 111 -8.827 1.549 1.292 1.00 25.41 H new ATOM 0 HB3 TYR A 111 -8.800 1.605 3.044 1.00 25.41 H new ATOM 0 HD1 TYR A 111 -9.174 3.770 0.004 1.00 74.34 H new ATOM 0 HD2 TYR A 111 -9.754 3.501 4.228 1.00 22.25 H new ATOM 0 HE1 TYR A 111 -10.456 5.859 -0.024 1.00 0.35 H new ATOM 0 HE2 TYR A 111 -11.004 5.607 4.186 1.00 31.53 H new ATOM 0 HH TYR A 111 -11.791 7.267 2.971 1.00 63.34 H new ATOM 1685 N VAL A 112 -6.027 4.530 2.721 1.00 30.10 N ATOM 1686 CA VAL A 112 -5.664 5.663 3.589 1.00 4.13 C ATOM 1687 C VAL A 112 -6.740 6.776 3.477 1.00 24.31 C ATOM 1688 O VAL A 112 -6.895 7.391 2.404 1.00 41.03 O ATOM 1689 CB VAL A 112 -4.247 6.242 3.225 1.00 4.15 C ATOM 1690 CG1 VAL A 112 -3.860 7.431 4.148 1.00 31.24 C ATOM 1691 CG2 VAL A 112 -3.170 5.132 3.275 1.00 45.45 C ATOM 0 H VAL A 112 -5.833 4.694 1.733 1.00 30.10 H new ATOM 0 HA VAL A 112 -5.619 5.300 4.616 1.00 4.13 H new ATOM 0 HB VAL A 112 -4.300 6.623 2.205 1.00 4.15 H new ATOM 0 HG11 VAL A 112 -2.875 7.805 3.867 1.00 31.24 H new ATOM 0 HG12 VAL A 112 -4.595 8.229 4.041 1.00 31.24 H new ATOM 0 HG13 VAL A 112 -3.838 7.095 5.185 1.00 31.24 H new ATOM 0 HG21 VAL A 112 -2.199 5.556 3.020 1.00 45.45 H new ATOM 0 HG22 VAL A 112 -3.129 4.710 4.279 1.00 45.45 H new ATOM 0 HG23 VAL A 112 -3.422 4.348 2.561 1.00 45.45 H new ATOM 1701 N PRO A 113 -7.548 7.008 4.560 1.00 43.14 N ATOM 1702 CA PRO A 113 -8.448 8.178 4.638 1.00 70.25 C ATOM 1703 C PRO A 113 -7.684 9.485 4.983 1.00 74.22 C ATOM 1704 O PRO A 113 -6.694 9.461 5.730 1.00 15.21 O ATOM 1705 CB PRO A 113 -9.429 7.777 5.772 1.00 33.40 C ATOM 1706 CG PRO A 113 -8.619 6.895 6.677 1.00 32.42 C ATOM 1707 CD PRO A 113 -7.676 6.132 5.767 1.00 62.40 C ATOM 0 HA PRO A 113 -8.941 8.397 3.691 1.00 70.25 H new ATOM 0 HB2 PRO A 113 -9.802 8.653 6.302 1.00 33.40 H new ATOM 0 HB3 PRO A 113 -10.297 7.250 5.377 1.00 33.40 H new ATOM 0 HG2 PRO A 113 -8.066 7.486 7.408 1.00 32.42 H new ATOM 0 HG3 PRO A 113 -9.260 6.214 7.237 1.00 32.42 H new ATOM 0 HD2 PRO A 113 -6.710 5.965 6.243 1.00 62.40 H new ATOM 0 HD3 PRO A 113 -8.077 5.152 5.508 1.00 62.40 H new ATOM 1715 N GLU A 114 -8.145 10.620 4.426 1.00 2.15 N ATOM 1716 CA GLU A 114 -7.663 11.952 4.832 1.00 1.00 C ATOM 1717 C GLU A 114 -8.263 12.310 6.208 1.00 1.24 C ATOM 1718 O GLU A 114 -9.408 11.945 6.514 1.00 2.21 O ATOM 1719 CB GLU A 114 -8.029 13.043 3.780 1.00 13.23 C ATOM 1720 CG GLU A 114 -7.650 14.481 4.207 1.00 74.33 C ATOM 1721 CD GLU A 114 -8.038 15.580 3.212 1.00 11.11 C ATOM 1722 OE1 GLU A 114 -9.193 15.604 2.742 1.00 33.31 O ATOM 1723 OE2 GLU A 114 -7.204 16.465 2.940 1.00 5.53 O ATOM 0 H GLU A 114 -8.853 10.640 3.692 1.00 2.15 H new ATOM 0 HA GLU A 114 -6.576 11.920 4.899 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -7.528 12.810 2.841 1.00 13.23 H new ATOM 0 HB3 GLU A 114 -9.101 13.003 3.588 1.00 13.23 H new ATOM 0 HG2 GLU A 114 -8.125 14.696 5.164 1.00 74.33 H new ATOM 0 HG3 GLU A 114 -6.573 14.523 4.369 1.00 74.33 H new ATOM 1730 N ALA A 115 -7.481 13.016 7.026 1.00 51.33 N ATOM 1731 CA ALA A 115 -7.895 13.436 8.376 1.00 45.02 C ATOM 1732 C ALA A 115 -8.708 14.773 8.342 1.00 64.10 C ATOM 1733 O ALA A 115 -8.863 15.399 7.286 1.00 55.02 O ATOM 1734 CB ALA A 115 -6.638 13.536 9.252 1.00 3.13 C ATOM 0 H ALA A 115 -6.539 13.316 6.775 1.00 51.33 H new ATOM 0 HA ALA A 115 -8.572 12.697 8.805 1.00 45.02 H new ATOM 0 HB1 ALA A 115 -6.920 13.846 10.258 1.00 3.13 H new ATOM 0 HB2 ALA A 115 -6.147 12.564 9.296 1.00 3.13 H new ATOM 0 HB3 ALA A 115 -5.954 14.269 8.825 1.00 3.13 H new ATOM 1740 N ASP A 116 -9.247 15.180 9.516 1.00 71.44 N ATOM 1741 CA ASP A 116 -9.983 16.472 9.719 1.00 22.45 C ATOM 1742 C ASP A 116 -9.041 17.704 9.465 1.00 44.43 C ATOM 1743 O ASP A 116 -7.879 17.539 9.092 1.00 53.00 O ATOM 1744 CB ASP A 116 -10.550 16.458 11.175 1.00 75.15 C ATOM 1745 CG ASP A 116 -11.446 17.660 11.541 1.00 13.42 C ATOM 1746 OD1 ASP A 116 -12.663 17.627 11.240 1.00 65.15 O ATOM 1747 OD2 ASP A 116 -10.940 18.639 12.123 1.00 23.33 O ATOM 0 H ASP A 116 -9.187 14.620 10.366 1.00 71.44 H new ATOM 0 HA ASP A 116 -10.801 16.569 9.005 1.00 22.45 H new ATOM 0 HB2 ASP A 116 -11.123 15.542 11.316 1.00 75.15 H new ATOM 0 HB3 ASP A 116 -9.714 16.422 11.873 1.00 75.15 H new ATOM 1752 N VAL A 117 -9.568 18.938 9.544 1.00 11.23 N ATOM 1753 CA VAL A 117 -8.711 20.160 9.602 1.00 23.24 C ATOM 1754 C VAL A 117 -7.705 20.179 10.800 1.00 0.54 C ATOM 1755 O VAL A 117 -6.488 20.290 10.579 1.00 5.13 O ATOM 1756 CB VAL A 117 -9.600 21.456 9.662 1.00 3.41 C ATOM 1757 CG1 VAL A 117 -8.745 22.753 9.623 1.00 42.02 C ATOM 1758 CG2 VAL A 117 -10.663 21.465 8.534 1.00 63.02 C ATOM 0 H VAL A 117 -10.570 19.127 9.570 1.00 11.23 H new ATOM 0 HA VAL A 117 -8.118 20.138 8.688 1.00 23.24 H new ATOM 0 HB VAL A 117 -10.120 21.436 10.620 1.00 3.41 H new ATOM 0 HG11 VAL A 117 -9.401 23.623 9.667 1.00 42.02 H new ATOM 0 HG12 VAL A 117 -8.066 22.767 10.476 1.00 42.02 H new ATOM 0 HG13 VAL A 117 -8.167 22.780 8.699 1.00 42.02 H new ATOM 0 HG21 VAL A 117 -11.260 22.374 8.604 1.00 63.02 H new ATOM 0 HG22 VAL A 117 -10.165 21.432 7.565 1.00 63.02 H new ATOM 0 HG23 VAL A 117 -11.312 20.596 8.639 1.00 63.02 H new ATOM 1768 N THR A 118 -8.197 20.045 12.056 1.00 43.15 N ATOM 1769 CA THR A 118 -7.337 20.230 13.270 1.00 74.22 C ATOM 1770 C THR A 118 -6.546 18.950 13.598 1.00 21.04 C ATOM 1771 O THR A 118 -5.380 19.015 13.990 1.00 71.20 O ATOM 1772 CB THR A 118 -8.138 20.720 14.530 1.00 60.42 C ATOM 1773 OG1 THR A 118 -7.247 20.922 15.645 1.00 72.40 O ATOM 1774 CG2 THR A 118 -9.262 19.759 14.947 1.00 31.23 C ATOM 0 H THR A 118 -9.169 19.813 12.262 1.00 43.15 H new ATOM 0 HA THR A 118 -6.634 21.023 13.017 1.00 74.22 H new ATOM 0 HB THR A 118 -8.606 21.662 14.243 1.00 60.42 H new ATOM 0 HG1 THR A 118 -7.760 21.229 16.422 1.00 72.40 H new ATOM 0 HG21 THR A 118 -9.775 20.157 15.823 1.00 31.23 H new ATOM 0 HG22 THR A 118 -9.973 19.653 14.127 1.00 31.23 H new ATOM 0 HG23 THR A 118 -8.837 18.784 15.187 1.00 31.23 H new ATOM 1782 N HIS A 119 -7.214 17.796 13.477 1.00 51.42 N ATOM 1783 CA HIS A 119 -6.561 16.472 13.387 1.00 55.13 C ATOM 1784 C HIS A 119 -6.690 16.102 11.902 1.00 64.34 C ATOM 1785 O HIS A 119 -7.523 15.267 11.585 1.00 55.32 O ATOM 1786 CB HIS A 119 -7.301 15.409 14.273 1.00 42.41 C ATOM 1787 CG HIS A 119 -7.804 15.901 15.602 1.00 2.24 C ATOM 1788 ND1 HIS A 119 -6.976 16.038 16.691 1.00 74.01 N ATOM 1789 CD2 HIS A 119 -9.061 16.261 15.954 1.00 51.31 C ATOM 1790 CE1 HIS A 119 -7.744 16.474 17.670 1.00 3.42 C ATOM 1791 NE2 HIS A 119 -9.011 16.625 17.269 1.00 3.41 N ATOM 0 H HIS A 119 -8.232 17.748 13.438 1.00 51.42 H new ATOM 0 HA HIS A 119 -5.530 16.496 13.740 1.00 55.13 H new ATOM 0 HB2 HIS A 119 -8.147 15.018 13.708 1.00 42.41 H new ATOM 0 HB3 HIS A 119 -6.622 14.574 14.449 1.00 42.41 H new ATOM 0 HD2 HIS A 119 -9.934 16.260 15.318 1.00 51.31 H new ATOM 0 HE1 HIS A 119 -7.394 16.683 18.670 1.00 3.42 H new ATOM 0 HE2 HIS A 119 -9.792 16.951 17.838 1.00 3.41 H new ATOM 1799 N LYS A 120 -5.941 16.693 10.930 1.00 70.34 N ATOM 1800 CA LYS A 120 -4.477 16.896 10.744 1.00 33.13 C ATOM 1801 C LYS A 120 -3.572 17.432 11.912 1.00 73.02 C ATOM 1802 O LYS A 120 -3.652 16.959 13.041 1.00 10.22 O ATOM 1803 CB LYS A 120 -4.278 17.659 9.402 1.00 50.15 C ATOM 1804 CG LYS A 120 -4.844 16.956 8.158 1.00 63.35 C ATOM 1805 CD LYS A 120 -4.710 17.811 6.876 1.00 54.02 C ATOM 1806 CE LYS A 120 -5.402 17.165 5.676 1.00 23.11 C ATOM 1807 NZ LYS A 120 -5.238 17.968 4.433 1.00 54.01 N ATOM 0 H LYS A 120 -6.432 17.102 10.134 1.00 70.34 H new ATOM 0 HA LYS A 120 -4.071 15.885 10.736 1.00 33.13 H new ATOM 0 HB2 LYS A 120 -4.744 18.641 9.488 1.00 50.15 H new ATOM 0 HB3 LYS A 120 -3.211 17.825 9.252 1.00 50.15 H new ATOM 0 HG2 LYS A 120 -4.325 16.008 8.014 1.00 63.35 H new ATOM 0 HG3 LYS A 120 -5.895 16.721 8.325 1.00 63.35 H new ATOM 0 HD2 LYS A 120 -5.139 18.797 7.053 1.00 54.02 H new ATOM 0 HD3 LYS A 120 -3.654 17.958 6.648 1.00 54.02 H new ATOM 0 HE2 LYS A 120 -4.994 16.166 5.518 1.00 23.11 H new ATOM 0 HE3 LYS A 120 -6.464 17.045 5.892 1.00 23.11 H new ATOM 0 HZ1 LYS A 120 -5.929 17.653 3.723 1.00 54.01 H new ATOM 0 HZ2 LYS A 120 -5.394 18.974 4.646 1.00 54.01 H new ATOM 0 HZ3 LYS A 120 -4.276 17.838 4.060 1.00 54.01 H new ATOM 1821 N PRO A 121 -2.596 18.355 11.620 1.00 31.12 N ATOM 1822 CA PRO A 121 -1.168 18.174 11.901 1.00 12.43 C ATOM 1823 C PRO A 121 -0.744 16.775 12.433 1.00 12.22 C ATOM 1824 O PRO A 121 -0.337 16.612 13.585 1.00 54.35 O ATOM 1825 CB PRO A 121 -0.906 19.351 12.857 1.00 43.43 C ATOM 1826 CG PRO A 121 -1.836 20.454 12.357 1.00 41.21 C ATOM 1827 CD PRO A 121 -2.810 19.805 11.362 1.00 24.41 C ATOM 0 HA PRO A 121 -0.550 18.187 11.003 1.00 12.43 H new ATOM 0 HB2 PRO A 121 -1.127 19.082 13.890 1.00 43.43 H new ATOM 0 HB3 PRO A 121 0.137 19.665 12.825 1.00 43.43 H new ATOM 0 HG2 PRO A 121 -2.378 20.907 13.187 1.00 41.21 H new ATOM 0 HG3 PRO A 121 -1.267 21.250 11.876 1.00 41.21 H new ATOM 0 HD2 PRO A 121 -3.842 20.104 11.547 1.00 24.41 H new ATOM 0 HD3 PRO A 121 -2.580 20.074 10.331 1.00 24.41 H new ATOM 1835 N ILE A 122 -0.863 15.754 11.542 1.00 2.45 N ATOM 1836 CA ILE A 122 -0.482 14.356 11.843 1.00 23.21 C ATOM 1837 C ILE A 122 1.061 14.214 11.787 1.00 31.03 C ATOM 1838 O ILE A 122 1.627 13.835 10.752 1.00 20.41 O ATOM 1839 CB ILE A 122 -1.157 13.316 10.843 1.00 51.42 C ATOM 1840 CG1 ILE A 122 -2.690 13.579 10.666 1.00 5.40 C ATOM 1841 CG2 ILE A 122 -0.910 11.843 11.291 1.00 51.41 C ATOM 1842 CD1 ILE A 122 -3.532 13.417 11.921 1.00 1.03 C ATOM 0 H ILE A 122 -1.226 15.882 10.597 1.00 2.45 H new ATOM 0 HA ILE A 122 -0.845 14.125 12.845 1.00 23.21 H new ATOM 0 HB ILE A 122 -0.678 13.465 9.875 1.00 51.42 H new ATOM 0 HG12 ILE A 122 -2.826 14.592 10.287 1.00 5.40 H new ATOM 0 HG13 ILE A 122 -3.072 12.900 9.904 1.00 5.40 H new ATOM 0 HG21 ILE A 122 -1.386 11.163 10.584 1.00 51.41 H new ATOM 0 HG22 ILE A 122 0.162 11.646 11.319 1.00 51.41 H new ATOM 0 HG23 ILE A 122 -1.333 11.689 12.284 1.00 51.41 H new ATOM 0 HD11 ILE A 122 -4.577 13.622 11.687 1.00 1.03 H new ATOM 0 HD12 ILE A 122 -3.437 12.397 12.294 1.00 1.03 H new ATOM 0 HD13 ILE A 122 -3.187 14.116 12.683 1.00 1.03 H new ATOM 1854 N TYR A 123 1.740 14.615 12.877 1.00 11.14 N ATOM 1855 CA TYR A 123 3.197 14.424 13.010 1.00 65.05 C ATOM 1856 C TYR A 123 3.504 12.999 13.508 1.00 30.12 C ATOM 1857 O TYR A 123 2.679 12.369 14.176 1.00 11.43 O ATOM 1858 CB TYR A 123 3.831 15.499 13.948 1.00 45.24 C ATOM 1859 CG TYR A 123 3.283 15.571 15.397 1.00 0.41 C ATOM 1860 CD1 TYR A 123 3.708 14.674 16.386 1.00 23.15 C ATOM 1861 CD2 TYR A 123 2.362 16.554 15.774 1.00 42.03 C ATOM 1862 CE1 TYR A 123 3.237 14.754 17.681 1.00 63.13 C ATOM 1863 CE2 TYR A 123 1.888 16.635 17.073 1.00 13.32 C ATOM 1864 CZ TYR A 123 2.332 15.735 18.021 1.00 41.13 C ATOM 1865 OH TYR A 123 1.863 15.815 19.318 1.00 13.02 O ATOM 0 H TYR A 123 1.304 15.073 13.678 1.00 11.14 H new ATOM 0 HA TYR A 123 3.648 14.550 12.026 1.00 65.05 H new ATOM 0 HB2 TYR A 123 4.904 15.315 13.999 1.00 45.24 H new ATOM 0 HB3 TYR A 123 3.697 16.476 13.485 1.00 45.24 H new ATOM 0 HD1 TYR A 123 4.420 13.903 16.129 1.00 23.15 H new ATOM 0 HD2 TYR A 123 2.014 17.264 15.038 1.00 42.03 H new ATOM 0 HE1 TYR A 123 3.577 14.049 18.425 1.00 63.13 H new ATOM 0 HE2 TYR A 123 1.174 17.399 17.343 1.00 13.32 H new ATOM 0 HH TYR A 123 1.233 16.562 19.393 1.00 13.02 H new ATOM 1875 N LYS A 124 4.690 12.491 13.161 1.00 4.34 N ATOM 1876 CA LYS A 124 5.186 11.209 13.685 1.00 40.32 C ATOM 1877 C LYS A 124 5.987 11.460 14.993 1.00 51.43 C ATOM 1878 O LYS A 124 6.500 12.563 15.218 1.00 71.01 O ATOM 1879 CB LYS A 124 6.040 10.487 12.599 1.00 60.10 C ATOM 1880 CG LYS A 124 6.453 9.037 12.959 1.00 34.15 C ATOM 1881 CD LYS A 124 7.187 8.299 11.810 1.00 41.23 C ATOM 1882 CE LYS A 124 8.503 8.979 11.401 1.00 44.24 C ATOM 1883 NZ LYS A 124 9.229 8.220 10.351 1.00 41.13 N ATOM 0 H LYS A 124 5.331 12.950 12.514 1.00 4.34 H new ATOM 0 HA LYS A 124 4.350 10.553 13.928 1.00 40.32 H new ATOM 0 HB2 LYS A 124 5.477 10.469 11.666 1.00 60.10 H new ATOM 0 HB3 LYS A 124 6.941 11.072 12.416 1.00 60.10 H new ATOM 0 HG2 LYS A 124 7.099 9.059 13.837 1.00 34.15 H new ATOM 0 HG3 LYS A 124 5.562 8.471 13.233 1.00 34.15 H new ATOM 0 HD2 LYS A 124 7.395 7.274 12.119 1.00 41.23 H new ATOM 0 HD3 LYS A 124 6.529 8.243 10.943 1.00 41.23 H new ATOM 0 HE2 LYS A 124 8.292 9.985 11.038 1.00 44.24 H new ATOM 0 HE3 LYS A 124 9.142 9.084 12.277 1.00 44.24 H new ATOM 0 HZ1 LYS A 124 9.763 8.881 9.751 1.00 41.13 H new ATOM 0 HZ2 LYS A 124 9.887 7.550 10.799 1.00 41.13 H new ATOM 0 HZ3 LYS A 124 8.546 7.696 9.767 1.00 41.13 H new