USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 938 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 3 THR OG1 : rot -179:sc= 1.22 USER MOD Set 1.2: A 109 SER OG : rot -7:sc= 1.02 USER MOD Set 2.1: A 87 HIS : no HD1:sc= -0.635 K(o=-0.47,f=-3.5) USER MOD Set 2.2: A 89 GLN : amide:sc= 0.165 K(o=-0.47,f=-4.3) USER MOD Set 3.1: A 42 MET CE :methyl 147:sc= -0.0578 (180deg=-1.14) USER MOD Set 3.2: A 78 TYR OH : rot 31:sc= 0.807 USER MOD Set 4.1: A 36 SER OG : rot -153:sc= -0.497! USER MOD Set 4.2: A 44 THR OG1 : rot 156:sc= 1.03 USER MOD Set 5.1: A 30 GLN : amide:sc= -0.289 K(o=-0.027,f=0.55) USER MOD Set 5.2: A 33 GLN : amide:sc= 0.262 K(o=-0.027,f=-4.7!) USER MOD Set 6.1: A 2 THR OG1 : rot 141:sc= 0.0875 USER MOD Set 6.2: A 4 HIS : no HD1:sc= 0.263 K(o=0.35,f=-4.3!) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.131 (180deg=-0.757) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.964 (180deg=0.912) USER MOD Single : A 10 GLN : amide:sc= -0.15! C(o=-0.15!,f=-3.2!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 21 HIS : no HD1:sc= -0.0848 K(o=-0.085,f=-0.63) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 23 HIS : no HD1:sc= -0.097 X(o=-0.097,f=0.014) USER MOD Single : A 26 ASN : amide:sc= 0.00427 K(o=0.0043,f=-0.62) USER MOD Single : A 32 HIS : no HD1:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 35 ASN : amide:sc= 1.03 K(o=1,f=-0.011) USER MOD Single : A 37 THR OG1 : rot 74:sc= 0.503 USER MOD Single : A 38 GLN : amide:sc= -0.0359 K(o=-0.036,f=-1.5!) USER MOD Single : A 45 MET CE :methyl 145:sc= -1.74! (180deg=-2.96!) USER MOD Single : A 52 GLN : amide:sc= -1.21 K(o=-1.2,f=-11!) USER MOD Single : A 59 MET CE :methyl -144:sc= 0 (180deg=-0.295) USER MOD Single : A 60 HIS : no HD1:sc= -1.51! C(o=-1.5!,f=-1.7!) USER MOD Single : A 65 ASN : amide:sc= -1.9! K(o=-1.9!,f=-0.034) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.118) USER MOD Single : A 67 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.1) USER MOD Single : A 79 TYR OH : rot -145:sc= 0.303 USER MOD Single : A 81 MET CE :methyl 159:sc= -0.348 (180deg=-1.43) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 99 LYS NZ :NH3+ 175:sc= 0.321 (180deg=-0.111) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc=-0.00888 X(o=-0.0089,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.919 X(o=-0.92,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.712 3.768 4.377 1.00 0.00 N ATOM 2 CA MET A 1 -18.139 3.766 5.743 1.00 0.00 C ATOM 3 C MET A 1 -17.799 2.342 6.174 1.00 0.00 C ATOM 4 O MET A 1 -17.919 1.994 7.347 1.00 0.00 O ATOM 5 CB MET A 1 -19.128 4.383 6.737 1.00 0.00 C ATOM 6 CG MET A 1 -19.457 5.841 6.455 1.00 0.00 C ATOM 7 SD MET A 1 -20.558 6.557 7.694 1.00 0.00 S ATOM 8 CE MET A 1 -19.542 6.438 9.166 1.00 0.00 C ATOM 0 H1 MET A 1 -19.078 4.716 4.155 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.974 3.513 3.690 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.487 3.077 4.325 1.00 0.00 H new ATOM 0 HA MET A 1 -17.227 4.362 5.733 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.051 3.803 6.723 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.715 4.302 7.743 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.533 6.418 6.419 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.921 5.921 5.472 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.887 7.160 9.906 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.616 5.432 9.579 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.504 6.650 8.910 1.00 0.00 H new ATOM 20 N THR A 2 -17.354 1.526 5.227 1.00 0.00 N ATOM 21 CA THR A 2 -17.010 0.146 5.525 1.00 0.00 C ATOM 22 C THR A 2 -15.500 0.007 5.638 1.00 0.00 C ATOM 23 O THR A 2 -14.771 1.000 5.575 1.00 0.00 O ATOM 24 CB THR A 2 -17.522 -0.823 4.436 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.806 -0.612 3.208 1.00 0.00 O ATOM 26 CG2 THR A 2 -19.013 -0.638 4.195 1.00 0.00 C ATOM 0 H THR A 2 -17.224 1.796 4.252 1.00 0.00 H new ATOM 0 HA THR A 2 -17.490 -0.115 6.468 1.00 0.00 H new ATOM 0 HB THR A 2 -17.351 -1.841 4.786 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.637 -1.475 2.775 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.346 -1.333 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 2 -19.558 -0.833 5.119 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.205 0.384 3.870 1.00 0.00 H new ATOM 34 N THR A 3 -15.033 -1.224 5.790 1.00 0.00 N ATOM 35 CA THR A 3 -13.608 -1.508 5.813 1.00 0.00 C ATOM 36 C THR A 3 -12.932 -1.034 4.521 1.00 0.00 C ATOM 37 O THR A 3 -11.757 -0.661 4.522 1.00 0.00 O ATOM 38 CB THR A 3 -13.367 -3.017 6.003 1.00 0.00 C ATOM 39 OG1 THR A 3 -14.092 -3.475 7.154 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.885 -3.320 6.166 1.00 0.00 C ATOM 0 H THR A 3 -15.626 -2.046 5.900 1.00 0.00 H new ATOM 0 HA THR A 3 -13.171 -0.966 6.651 1.00 0.00 H new ATOM 0 HB THR A 3 -13.721 -3.539 5.114 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.925 -4.431 7.287 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.745 -4.393 6.298 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.346 -2.991 5.277 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.500 -2.794 7.039 1.00 0.00 H new ATOM 48 N HIS A 4 -13.693 -1.010 3.425 1.00 0.00 N ATOM 49 CA HIS A 4 -13.155 -0.594 2.133 1.00 0.00 C ATOM 50 C HIS A 4 -12.753 0.875 2.164 1.00 0.00 C ATOM 51 O HIS A 4 -11.777 1.268 1.528 1.00 0.00 O ATOM 52 CB HIS A 4 -14.170 -0.827 1.011 1.00 0.00 C ATOM 53 CG HIS A 4 -14.427 -2.269 0.704 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.665 -2.857 0.836 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.598 -3.239 0.251 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.587 -4.125 0.477 1.00 0.00 C ATOM 57 NE2 HIS A 4 -14.343 -4.383 0.117 1.00 0.00 N ATOM 0 H HIS A 4 -14.678 -1.273 3.408 1.00 0.00 H new ATOM 0 HA HIS A 4 -12.271 -1.201 1.935 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -15.112 -0.352 1.285 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.815 -0.333 0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.545 -3.132 0.035 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.403 -4.832 0.478 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.994 -5.285 -0.207 1.00 0.00 H new ATOM 66 N ASP A 5 -13.503 1.677 2.918 1.00 0.00 N ATOM 67 CA ASP A 5 -13.208 3.102 3.048 1.00 0.00 C ATOM 68 C ASP A 5 -11.876 3.305 3.755 1.00 0.00 C ATOM 69 O ASP A 5 -11.034 4.078 3.302 1.00 0.00 O ATOM 70 CB ASP A 5 -14.316 3.832 3.822 1.00 0.00 C ATOM 71 CG ASP A 5 -15.611 3.953 3.042 1.00 0.00 C ATOM 72 OD1 ASP A 5 -16.453 3.031 3.123 1.00 0.00 O ATOM 73 OD2 ASP A 5 -15.809 4.981 2.358 1.00 0.00 O ATOM 0 H ASP A 5 -14.317 1.365 3.447 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.153 3.521 2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.509 3.301 4.754 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.966 4.829 4.090 1.00 0.00 H new ATOM 78 N ARG A 6 -11.688 2.580 4.855 1.00 0.00 N ATOM 79 CA ARG A 6 -10.473 2.692 5.658 1.00 0.00 C ATOM 80 C ARG A 6 -9.229 2.368 4.840 1.00 0.00 C ATOM 81 O ARG A 6 -8.269 3.136 4.830 1.00 0.00 O ATOM 82 CB ARG A 6 -10.541 1.770 6.876 1.00 0.00 C ATOM 83 CG ARG A 6 -11.314 2.353 8.046 1.00 0.00 C ATOM 84 CD ARG A 6 -11.279 1.426 9.251 1.00 0.00 C ATOM 85 NE ARG A 6 -11.710 2.100 10.473 1.00 0.00 N ATOM 86 CZ ARG A 6 -11.857 1.494 11.651 1.00 0.00 C ATOM 87 NH1 ARG A 6 -11.647 0.187 11.764 1.00 0.00 N ATOM 88 NH2 ARG A 6 -12.206 2.209 12.714 1.00 0.00 N ATOM 0 H ARG A 6 -12.365 1.906 5.212 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.404 3.726 5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.003 0.828 6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.527 1.539 7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.892 3.321 8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.348 2.528 7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.922 0.566 9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.267 1.044 9.385 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.911 3.099 10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.372 -0.358 10.947 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.761 -0.272 12.668 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.359 3.213 12.625 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.321 1.754 13.620 1.00 0.00 H new ATOM 102 N VAL A 7 -9.254 1.237 4.146 1.00 0.00 N ATOM 103 CA VAL A 7 -8.104 0.804 3.361 1.00 0.00 C ATOM 104 C VAL A 7 -7.849 1.761 2.196 1.00 0.00 C ATOM 105 O VAL A 7 -6.701 2.025 1.839 1.00 0.00 O ATOM 106 CB VAL A 7 -8.289 -0.635 2.824 1.00 0.00 C ATOM 107 CG1 VAL A 7 -7.028 -1.125 2.123 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.672 -1.581 3.953 1.00 0.00 C ATOM 0 H VAL A 7 -10.054 0.605 4.110 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.240 0.813 4.026 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.097 -0.620 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.187 -2.139 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.799 -0.467 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.195 -1.120 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.798 -2.589 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.886 -1.584 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.607 -1.249 4.404 1.00 0.00 H new ATOM 118 N ARG A 8 -8.922 2.305 1.628 1.00 0.00 N ATOM 119 CA ARG A 8 -8.806 3.226 0.502 1.00 0.00 C ATOM 120 C ARG A 8 -8.154 4.528 0.952 1.00 0.00 C ATOM 121 O ARG A 8 -7.294 5.074 0.259 1.00 0.00 O ATOM 122 CB ARG A 8 -10.182 3.499 -0.111 1.00 0.00 C ATOM 123 CG ARG A 8 -10.124 4.135 -1.493 1.00 0.00 C ATOM 124 CD ARG A 8 -11.521 4.403 -2.031 1.00 0.00 C ATOM 125 NE ARG A 8 -11.504 4.919 -3.401 1.00 0.00 N ATOM 126 CZ ARG A 8 -12.113 6.046 -3.778 1.00 0.00 C ATOM 127 NH1 ARG A 8 -12.717 6.807 -2.878 1.00 0.00 N ATOM 128 NH2 ARG A 8 -12.095 6.416 -5.053 1.00 0.00 N ATOM 0 H ARG A 8 -9.880 2.124 1.929 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.176 2.767 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.733 2.561 -0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.743 4.153 0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.564 5.069 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.587 3.478 -2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.102 3.481 -2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.026 5.119 -1.383 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.998 4.387 -4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.717 6.532 -1.896 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.182 7.668 -3.167 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.616 5.839 -5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.560 7.277 -5.341 1.00 0.00 H new ATOM 142 N LEU A 9 -8.554 5.006 2.125 1.00 0.00 N ATOM 143 CA LEU A 9 -7.959 6.202 2.707 1.00 0.00 C ATOM 144 C LEU A 9 -6.505 5.941 3.086 1.00 0.00 C ATOM 145 O LEU A 9 -5.652 6.813 2.947 1.00 0.00 O ATOM 146 CB LEU A 9 -8.746 6.656 3.941 1.00 0.00 C ATOM 147 CG LEU A 9 -10.190 7.089 3.676 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.879 7.466 4.977 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.225 8.253 2.698 1.00 0.00 C ATOM 0 H LEU A 9 -9.289 4.583 2.692 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.995 6.996 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.756 5.841 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.215 7.487 4.404 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.726 6.250 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.905 7.771 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.884 6.607 5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.343 8.290 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.259 8.548 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.674 9.096 3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.767 7.951 1.756 1.00 0.00 H new ATOM 161 N GLN A 10 -6.234 4.728 3.556 1.00 0.00 N ATOM 162 CA GLN A 10 -4.881 4.324 3.917 1.00 0.00 C ATOM 163 C GLN A 10 -3.985 4.292 2.682 1.00 0.00 C ATOM 164 O GLN A 10 -2.821 4.695 2.733 1.00 0.00 O ATOM 165 CB GLN A 10 -4.909 2.953 4.593 1.00 0.00 C ATOM 166 CG GLN A 10 -3.551 2.461 5.068 1.00 0.00 C ATOM 167 CD GLN A 10 -2.865 3.435 6.004 1.00 0.00 C ATOM 168 OE1 GLN A 10 -3.068 3.400 7.218 1.00 0.00 O ATOM 169 NE2 GLN A 10 -2.039 4.301 5.442 1.00 0.00 N ATOM 0 H GLN A 10 -6.939 4.004 3.696 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.472 5.053 4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.586 2.996 5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.322 2.225 3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.674 1.504 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.911 2.284 4.203 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.902 4.293 4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.539 4.977 6.019 1.00 0.00 H new ATOM 178 N LEU A 11 -4.533 3.815 1.571 1.00 0.00 N ATOM 179 CA LEU A 11 -3.817 3.832 0.304 1.00 0.00 C ATOM 180 C LEU A 11 -3.496 5.261 -0.099 1.00 0.00 C ATOM 181 O LEU A 11 -2.396 5.551 -0.555 1.00 0.00 O ATOM 182 CB LEU A 11 -4.637 3.163 -0.798 1.00 0.00 C ATOM 183 CG LEU A 11 -4.812 1.652 -0.662 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.678 1.125 -1.791 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.459 0.955 -0.657 1.00 0.00 C ATOM 0 H LEU A 11 -5.469 3.413 1.523 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.890 3.275 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.624 3.625 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.163 3.371 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.307 1.442 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.797 0.047 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.657 1.604 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.203 1.346 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.604 -0.121 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.937 1.167 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.866 1.319 0.182 1.00 0.00 H new ATOM 197 N GLN A 12 -4.462 6.150 0.090 1.00 0.00 N ATOM 198 CA GLN A 12 -4.289 7.555 -0.257 1.00 0.00 C ATOM 199 C GLN A 12 -3.346 8.255 0.720 1.00 0.00 C ATOM 200 O GLN A 12 -2.733 9.266 0.384 1.00 0.00 O ATOM 201 CB GLN A 12 -5.647 8.259 -0.304 1.00 0.00 C ATOM 202 CG GLN A 12 -6.507 7.811 -1.475 1.00 0.00 C ATOM 203 CD GLN A 12 -7.875 8.462 -1.494 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.449 8.769 -0.450 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.397 8.697 -2.687 1.00 0.00 N ATOM 0 H GLN A 12 -5.376 5.923 0.483 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.835 7.608 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.182 8.068 0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.490 9.336 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.989 8.041 -2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.627 6.728 -1.436 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.888 8.427 -3.529 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.308 9.149 -2.765 1.00 0.00 H new ATOM 214 N ALA A 13 -3.228 7.713 1.924 1.00 0.00 N ATOM 215 CA ALA A 13 -2.276 8.227 2.899 1.00 0.00 C ATOM 216 C ALA A 13 -0.852 7.913 2.454 1.00 0.00 C ATOM 217 O ALA A 13 0.016 8.786 2.444 1.00 0.00 O ATOM 218 CB ALA A 13 -2.554 7.647 4.278 1.00 0.00 C ATOM 0 H ALA A 13 -3.779 6.918 2.249 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.388 9.309 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.832 8.043 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.562 7.920 4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.468 6.561 4.240 1.00 0.00 H new ATOM 224 N LEU A 14 -0.626 6.662 2.066 1.00 0.00 N ATOM 225 CA LEU A 14 0.663 6.247 1.524 1.00 0.00 C ATOM 226 C LEU A 14 0.903 6.933 0.182 1.00 0.00 C ATOM 227 O LEU A 14 2.032 7.289 -0.161 1.00 0.00 O ATOM 228 CB LEU A 14 0.703 4.724 1.358 1.00 0.00 C ATOM 229 CG LEU A 14 2.007 4.157 0.784 1.00 0.00 C ATOM 230 CD1 LEU A 14 3.182 4.461 1.703 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.876 2.659 0.561 1.00 0.00 C ATOM 0 H LEU A 14 -1.320 5.917 2.117 1.00 0.00 H new ATOM 0 HA LEU A 14 1.451 6.539 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.525 4.265 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.120 4.425 0.709 1.00 0.00 H new ATOM 0 HG LEU A 14 2.197 4.637 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.095 4.049 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.288 5.540 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.005 4.012 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.809 2.269 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.661 2.167 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.064 2.465 -0.140 1.00 0.00 H new ATOM 243 N GLU A 15 -0.184 7.120 -0.558 1.00 0.00 N ATOM 244 CA GLU A 15 -0.168 7.834 -1.827 1.00 0.00 C ATOM 245 C GLU A 15 0.445 9.221 -1.634 1.00 0.00 C ATOM 246 O GLU A 15 1.299 9.659 -2.413 1.00 0.00 O ATOM 247 CB GLU A 15 -1.606 7.959 -2.345 1.00 0.00 C ATOM 248 CG GLU A 15 -1.753 7.826 -3.849 1.00 0.00 C ATOM 249 CD GLU A 15 -3.197 7.952 -4.304 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.958 6.960 -4.200 1.00 0.00 O ATOM 251 OE2 GLU A 15 -3.578 9.050 -4.767 1.00 0.00 O ATOM 0 H GLU A 15 -1.107 6.778 -0.291 1.00 0.00 H new ATOM 0 HA GLU A 15 0.434 7.286 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.218 7.195 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.005 8.926 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.152 8.592 -4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.358 6.861 -4.166 1.00 0.00 H new ATOM 258 N ALA A 16 0.016 9.895 -0.572 1.00 0.00 N ATOM 259 CA ALA A 16 0.528 11.215 -0.238 1.00 0.00 C ATOM 260 C ALA A 16 1.941 11.129 0.329 1.00 0.00 C ATOM 261 O ALA A 16 2.799 11.938 -0.012 1.00 0.00 O ATOM 262 CB ALA A 16 -0.399 11.906 0.752 1.00 0.00 C ATOM 0 H ALA A 16 -0.690 9.544 0.075 1.00 0.00 H new ATOM 0 HA ALA A 16 0.568 11.804 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.004 12.893 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.390 12.010 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.468 11.311 1.662 1.00 0.00 H new ATOM 268 N LEU A 17 2.179 10.135 1.183 1.00 0.00 N ATOM 269 CA LEU A 17 3.493 9.940 1.798 1.00 0.00 C ATOM 270 C LEU A 17 4.574 9.787 0.729 1.00 0.00 C ATOM 271 O LEU A 17 5.640 10.407 0.809 1.00 0.00 O ATOM 272 CB LEU A 17 3.463 8.712 2.723 1.00 0.00 C ATOM 273 CG LEU A 17 4.752 8.426 3.507 1.00 0.00 C ATOM 274 CD1 LEU A 17 4.423 7.768 4.834 1.00 0.00 C ATOM 275 CD2 LEU A 17 5.686 7.525 2.710 1.00 0.00 C ATOM 0 H LEU A 17 1.478 9.450 1.466 1.00 0.00 H new ATOM 0 HA LEU A 17 3.734 10.820 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.649 8.839 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.225 7.835 2.121 1.00 0.00 H new ATOM 0 HG LEU A 17 5.254 9.377 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.345 7.570 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.788 8.431 5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.899 6.829 4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.591 7.338 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.187 6.579 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.949 8.013 1.771 1.00 0.00 H new ATOM 287 N LEU A 18 4.293 8.964 -0.275 1.00 0.00 N ATOM 288 CA LEU A 18 5.224 8.762 -1.377 1.00 0.00 C ATOM 289 C LEU A 18 5.360 10.035 -2.197 1.00 0.00 C ATOM 290 O LEU A 18 6.442 10.358 -2.684 1.00 0.00 O ATOM 291 CB LEU A 18 4.754 7.618 -2.277 1.00 0.00 C ATOM 292 CG LEU A 18 4.692 6.245 -1.609 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.159 5.208 -2.583 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.067 5.841 -1.094 1.00 0.00 C ATOM 0 H LEU A 18 3.429 8.427 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 18 6.196 8.503 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.763 7.863 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.422 7.556 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 18 4.012 6.302 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.120 4.235 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.157 5.492 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.817 5.152 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.005 4.861 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.769 5.798 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.412 6.574 -0.365 1.00 0.00 H new ATOM 306 N ARG A 19 4.258 10.757 -2.329 1.00 0.00 N ATOM 307 CA ARG A 19 4.233 11.988 -3.104 1.00 0.00 C ATOM 308 C ARG A 19 5.097 13.058 -2.441 1.00 0.00 C ATOM 309 O ARG A 19 5.914 13.700 -3.100 1.00 0.00 O ATOM 310 CB ARG A 19 2.791 12.470 -3.252 1.00 0.00 C ATOM 311 CG ARG A 19 2.563 13.404 -4.428 1.00 0.00 C ATOM 312 CD ARG A 19 1.085 13.482 -4.770 1.00 0.00 C ATOM 313 NE ARG A 19 0.516 12.150 -4.973 1.00 0.00 N ATOM 314 CZ ARG A 19 -0.788 11.894 -5.090 1.00 0.00 C ATOM 315 NH1 ARG A 19 -1.674 12.879 -5.108 1.00 0.00 N ATOM 316 NH2 ARG A 19 -1.201 10.641 -5.205 1.00 0.00 N ATOM 0 H ARG A 19 3.363 10.509 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 19 4.644 11.794 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.139 11.603 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.494 12.980 -2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.939 14.398 -4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.124 13.051 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.550 13.990 -3.968 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.949 14.079 -5.672 1.00 0.00 H new ATOM 0 HE ARG A 19 1.161 11.362 -5.029 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.362 13.847 -5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.668 12.669 -5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.523 9.879 -5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.197 10.438 -5.295 1.00 0.00 H new ATOM 330 N GLU A 20 4.922 13.224 -1.133 1.00 0.00 N ATOM 331 CA GLU A 20 5.699 14.192 -0.363 1.00 0.00 C ATOM 332 C GLU A 20 7.182 13.839 -0.367 1.00 0.00 C ATOM 333 O GLU A 20 8.041 14.722 -0.367 1.00 0.00 O ATOM 334 CB GLU A 20 5.208 14.256 1.082 1.00 0.00 C ATOM 335 CG GLU A 20 3.801 14.801 1.243 1.00 0.00 C ATOM 336 CD GLU A 20 3.418 14.957 2.700 1.00 0.00 C ATOM 337 OE1 GLU A 20 4.051 15.784 3.396 1.00 0.00 O ATOM 338 OE2 GLU A 20 2.493 14.261 3.162 1.00 0.00 O ATOM 0 H GLU A 20 4.245 12.697 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 20 5.563 15.164 -0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.248 13.255 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.893 14.877 1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.726 15.767 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.094 14.132 0.752 1.00 0.00 H new ATOM 345 N HIS A 21 7.481 12.546 -0.365 1.00 0.00 N ATOM 346 CA HIS A 21 8.864 12.090 -0.299 1.00 0.00 C ATOM 347 C HIS A 21 9.404 11.734 -1.682 1.00 0.00 C ATOM 348 O HIS A 21 10.350 10.958 -1.806 1.00 0.00 O ATOM 349 CB HIS A 21 8.999 10.906 0.664 1.00 0.00 C ATOM 350 CG HIS A 21 8.908 11.305 2.108 1.00 0.00 C ATOM 351 ND1 HIS A 21 9.836 12.122 2.722 1.00 0.00 N ATOM 352 CD2 HIS A 21 7.992 11.006 3.060 1.00 0.00 C ATOM 353 CE1 HIS A 21 9.497 12.306 3.983 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.383 11.642 4.215 1.00 0.00 N ATOM 0 H HIS A 21 6.789 11.798 -0.408 1.00 0.00 H new ATOM 0 HA HIS A 21 9.466 12.914 0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.218 10.177 0.445 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.955 10.412 0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.118 10.384 2.935 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.040 12.900 4.703 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.890 11.606 5.107 1.00 0.00 H new ATOM 363 N GLN A 22 8.788 12.317 -2.710 1.00 0.00 N ATOM 364 CA GLN A 22 9.299 12.266 -4.083 1.00 0.00 C ATOM 365 C GLN A 22 9.487 10.846 -4.622 1.00 0.00 C ATOM 366 O GLN A 22 10.319 10.615 -5.501 1.00 0.00 O ATOM 367 CB GLN A 22 10.621 13.028 -4.157 1.00 0.00 C ATOM 368 CG GLN A 22 10.497 14.474 -3.718 1.00 0.00 C ATOM 369 CD GLN A 22 11.827 15.187 -3.654 1.00 0.00 C ATOM 370 OE1 GLN A 22 12.863 14.585 -3.379 1.00 0.00 O ATOM 371 NE2 GLN A 22 11.802 16.480 -3.902 1.00 0.00 N ATOM 0 H GLN A 22 7.917 12.840 -2.616 1.00 0.00 H new ATOM 0 HA GLN A 22 8.544 12.732 -4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.359 12.526 -3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.996 12.996 -5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.840 15.003 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.024 14.511 -2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.919 16.939 -4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.665 17.022 -3.870 1.00 0.00 H new ATOM 380 N HIS A 23 8.708 9.903 -4.125 1.00 0.00 N ATOM 381 CA HIS A 23 8.721 8.557 -4.679 1.00 0.00 C ATOM 382 C HIS A 23 7.547 8.375 -5.618 1.00 0.00 C ATOM 383 O HIS A 23 7.448 7.373 -6.325 1.00 0.00 O ATOM 384 CB HIS A 23 8.691 7.497 -3.578 1.00 0.00 C ATOM 385 CG HIS A 23 10.041 7.208 -3.002 1.00 0.00 C ATOM 386 ND1 HIS A 23 10.838 6.175 -3.441 1.00 0.00 N ATOM 387 CD2 HIS A 23 10.740 7.832 -2.031 1.00 0.00 C ATOM 388 CE1 HIS A 23 11.969 6.177 -2.763 1.00 0.00 C ATOM 389 NE2 HIS A 23 11.939 7.176 -1.901 1.00 0.00 N ATOM 0 H HIS A 23 8.063 10.039 -3.346 1.00 0.00 H new ATOM 0 HA HIS A 23 9.650 8.429 -5.235 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.026 7.829 -2.781 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.270 6.576 -3.981 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.416 8.690 -1.461 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.783 5.479 -2.891 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.683 7.420 -1.247 1.00 0.00 H new ATOM 398 N TRP A 24 6.664 9.363 -5.625 1.00 0.00 N ATOM 399 CA TRP A 24 5.507 9.341 -6.493 1.00 0.00 C ATOM 400 C TRP A 24 5.872 9.935 -7.842 1.00 0.00 C ATOM 401 O TRP A 24 6.109 11.139 -7.962 1.00 0.00 O ATOM 402 CB TRP A 24 4.356 10.122 -5.870 1.00 0.00 C ATOM 403 CG TRP A 24 3.013 9.696 -6.382 1.00 0.00 C ATOM 404 CD1 TRP A 24 2.190 10.390 -7.221 1.00 0.00 C ATOM 405 CD2 TRP A 24 2.346 8.462 -6.097 1.00 0.00 C ATOM 406 NE1 TRP A 24 1.047 9.669 -7.461 1.00 0.00 N ATOM 407 CE2 TRP A 24 1.122 8.480 -6.787 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.665 7.344 -5.322 1.00 0.00 C ATOM 409 CZ2 TRP A 24 0.218 7.421 -6.728 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.767 6.295 -5.265 1.00 0.00 C ATOM 411 CH2 TRP A 24 0.556 6.340 -5.964 1.00 0.00 C ATOM 0 H TRP A 24 6.732 10.192 -5.034 1.00 0.00 H new ATOM 0 HA TRP A 24 5.187 8.308 -6.628 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.383 9.996 -4.788 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.495 11.184 -6.071 1.00 0.00 H new ATOM 0 HD1 TRP A 24 2.406 11.364 -7.635 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.268 9.970 -8.047 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.597 7.300 -4.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.717 7.454 -7.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.004 5.425 -4.670 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.125 5.504 -5.898 1.00 0.00 H new ATOM 422 N ARG A 25 5.944 9.082 -8.843 1.00 0.00 N ATOM 423 CA ARG A 25 6.305 9.509 -10.185 1.00 0.00 C ATOM 424 C ARG A 25 5.314 8.981 -11.209 1.00 0.00 C ATOM 425 O ARG A 25 4.874 9.725 -12.085 1.00 0.00 O ATOM 426 CB ARG A 25 7.722 9.041 -10.543 1.00 0.00 C ATOM 427 CG ARG A 25 8.813 9.688 -9.704 1.00 0.00 C ATOM 428 CD ARG A 25 10.203 9.300 -10.189 1.00 0.00 C ATOM 429 NE ARG A 25 10.469 7.868 -10.042 1.00 0.00 N ATOM 430 CZ ARG A 25 11.585 7.273 -10.461 1.00 0.00 C ATOM 431 NH1 ARG A 25 12.537 7.980 -11.057 1.00 0.00 N ATOM 432 NH2 ARG A 25 11.745 5.967 -10.291 1.00 0.00 N ATOM 0 H ARG A 25 5.757 8.083 -8.755 1.00 0.00 H new ATOM 0 HA ARG A 25 6.279 10.599 -10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.778 7.959 -10.423 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.910 9.255 -11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.705 10.772 -9.740 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.695 9.390 -8.662 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.310 9.580 -11.237 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.950 9.864 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 25 9.758 7.292 -9.592 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.416 8.983 -11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.390 7.520 -11.376 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.013 5.418 -9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.600 5.512 -10.612 1.00 0.00 H new ATOM 446 N ASN A 26 4.948 7.705 -11.068 1.00 0.00 N ATOM 447 CA ASN A 26 4.119 7.017 -12.058 1.00 0.00 C ATOM 448 C ASN A 26 4.697 7.224 -13.452 1.00 0.00 C ATOM 449 O ASN A 26 4.169 7.999 -14.254 1.00 0.00 O ATOM 450 CB ASN A 26 2.670 7.505 -12.004 1.00 0.00 C ATOM 451 CG ASN A 26 1.978 7.167 -10.698 1.00 0.00 C ATOM 452 OD1 ASN A 26 2.242 6.135 -10.078 1.00 0.00 O ATOM 453 ND2 ASN A 26 1.087 8.042 -10.266 1.00 0.00 N ATOM 0 H ASN A 26 5.215 7.125 -10.272 1.00 0.00 H new ATOM 0 HA ASN A 26 4.120 5.952 -11.824 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.651 8.585 -12.150 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.112 7.062 -12.829 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.590 7.874 -9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.896 8.885 -10.808 1.00 0.00 H new ATOM 460 N ASP A 27 5.804 6.546 -13.719 1.00 0.00 N ATOM 461 CA ASP A 27 6.564 6.761 -14.943 1.00 0.00 C ATOM 462 C ASP A 27 5.891 6.063 -16.125 1.00 0.00 C ATOM 463 O ASP A 27 4.805 5.500 -15.984 1.00 0.00 O ATOM 464 CB ASP A 27 8.001 6.252 -14.754 1.00 0.00 C ATOM 465 CG ASP A 27 8.963 6.787 -15.795 1.00 0.00 C ATOM 466 OD1 ASP A 27 9.461 7.920 -15.627 1.00 0.00 O ATOM 467 OD2 ASP A 27 9.221 6.082 -16.789 1.00 0.00 O ATOM 0 H ASP A 27 6.198 5.838 -13.100 1.00 0.00 H new ATOM 0 HA ASP A 27 6.594 7.829 -15.160 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.353 6.536 -13.762 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.002 5.163 -14.793 1.00 0.00 H new ATOM 472 N GLU A 28 6.540 6.100 -17.280 1.00 0.00 N ATOM 473 CA GLU A 28 5.993 5.524 -18.499 1.00 0.00 C ATOM 474 C GLU A 28 6.050 3.999 -18.428 1.00 0.00 C ATOM 475 O GLU A 28 7.134 3.413 -18.414 1.00 0.00 O ATOM 476 CB GLU A 28 6.780 6.036 -19.713 1.00 0.00 C ATOM 477 CG GLU A 28 6.139 5.710 -21.051 1.00 0.00 C ATOM 478 CD GLU A 28 4.747 6.284 -21.179 1.00 0.00 C ATOM 479 OE1 GLU A 28 4.606 7.527 -21.183 1.00 0.00 O ATOM 480 OE2 GLU A 28 3.785 5.498 -21.254 1.00 0.00 O ATOM 0 H GLU A 28 7.458 6.529 -17.398 1.00 0.00 H new ATOM 0 HA GLU A 28 4.951 5.826 -18.604 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.892 7.117 -19.630 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.782 5.609 -19.689 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.764 6.099 -21.855 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.096 4.628 -21.176 1.00 0.00 H new ATOM 487 N PRO A 29 4.883 3.342 -18.367 1.00 0.00 N ATOM 488 CA PRO A 29 4.802 1.888 -18.231 1.00 0.00 C ATOM 489 C PRO A 29 5.282 1.150 -19.478 1.00 0.00 C ATOM 490 O PRO A 29 4.749 1.338 -20.575 1.00 0.00 O ATOM 491 CB PRO A 29 3.311 1.630 -18.004 1.00 0.00 C ATOM 492 CG PRO A 29 2.628 2.797 -18.625 1.00 0.00 C ATOM 493 CD PRO A 29 3.548 3.966 -18.431 1.00 0.00 C ATOM 0 HA PRO A 29 5.441 1.526 -17.426 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.996 0.694 -18.466 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.079 1.555 -16.942 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.439 2.621 -19.684 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.662 2.979 -18.155 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.475 4.676 -19.255 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.316 4.513 -17.517 1.00 0.00 H new ATOM 501 N GLN A 30 6.301 0.326 -19.302 1.00 0.00 N ATOM 502 CA GLN A 30 6.805 -0.513 -20.376 1.00 0.00 C ATOM 503 C GLN A 30 6.385 -1.955 -20.134 1.00 0.00 C ATOM 504 O GLN A 30 6.594 -2.488 -19.046 1.00 0.00 O ATOM 505 CB GLN A 30 8.330 -0.423 -20.463 1.00 0.00 C ATOM 506 CG GLN A 30 8.844 0.975 -20.763 1.00 0.00 C ATOM 507 CD GLN A 30 10.357 1.043 -20.781 1.00 0.00 C ATOM 508 OE1 GLN A 30 10.986 0.844 -21.819 1.00 0.00 O ATOM 509 NE2 GLN A 30 10.953 1.324 -19.633 1.00 0.00 N ATOM 0 H GLN A 30 6.799 0.220 -18.418 1.00 0.00 H new ATOM 0 HA GLN A 30 6.386 -0.163 -21.320 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.759 -0.764 -19.521 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.682 -1.104 -21.238 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.457 1.302 -21.728 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.461 1.668 -20.014 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.395 1.483 -18.794 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.970 1.382 -19.587 1.00 0.00 H new ATOM 518 N PRO A 31 5.776 -2.602 -21.138 1.00 0.00 N ATOM 519 CA PRO A 31 5.297 -3.986 -21.024 1.00 0.00 C ATOM 520 C PRO A 31 6.369 -4.951 -20.515 1.00 0.00 C ATOM 521 O PRO A 31 6.069 -5.881 -19.765 1.00 0.00 O ATOM 522 CB PRO A 31 4.893 -4.339 -22.456 1.00 0.00 C ATOM 523 CG PRO A 31 4.546 -3.030 -23.073 1.00 0.00 C ATOM 524 CD PRO A 31 5.489 -2.030 -22.466 1.00 0.00 C ATOM 0 HA PRO A 31 4.487 -4.071 -20.300 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.708 -4.827 -22.990 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.045 -5.024 -22.473 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.658 -3.066 -24.157 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.509 -2.764 -22.869 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.395 -1.918 -23.061 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.034 -1.042 -22.390 1.00 0.00 H new ATOM 532 N HIS A 32 7.618 -4.716 -20.910 1.00 0.00 N ATOM 533 CA HIS A 32 8.732 -5.563 -20.486 1.00 0.00 C ATOM 534 C HIS A 32 8.868 -5.565 -18.963 1.00 0.00 C ATOM 535 O HIS A 32 9.204 -6.586 -18.365 1.00 0.00 O ATOM 536 CB HIS A 32 10.036 -5.092 -21.135 1.00 0.00 C ATOM 537 CG HIS A 32 11.196 -6.024 -20.931 1.00 0.00 C ATOM 538 ND1 HIS A 32 11.660 -6.869 -21.914 1.00 0.00 N ATOM 539 CD2 HIS A 32 11.992 -6.232 -19.855 1.00 0.00 C ATOM 540 CE1 HIS A 32 12.686 -7.559 -21.450 1.00 0.00 C ATOM 541 NE2 HIS A 32 12.909 -7.192 -20.203 1.00 0.00 N ATOM 0 H HIS A 32 7.885 -3.946 -21.523 1.00 0.00 H new ATOM 0 HA HIS A 32 8.526 -6.583 -20.811 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.871 -4.964 -22.205 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.296 -4.113 -20.733 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.919 -5.734 -18.899 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.248 -8.300 -22.000 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.642 -7.561 -19.597 1.00 0.00 H new ATOM 550 N GLN A 33 8.578 -4.424 -18.348 1.00 0.00 N ATOM 551 CA GLN A 33 8.675 -4.274 -16.898 1.00 0.00 C ATOM 552 C GLN A 33 7.693 -5.201 -16.185 1.00 0.00 C ATOM 553 O GLN A 33 7.937 -5.628 -15.056 1.00 0.00 O ATOM 554 CB GLN A 33 8.393 -2.822 -16.499 1.00 0.00 C ATOM 555 CG GLN A 33 9.412 -1.829 -17.036 1.00 0.00 C ATOM 556 CD GLN A 33 8.970 -0.386 -16.864 1.00 0.00 C ATOM 557 OE1 GLN A 33 7.776 -0.082 -16.894 1.00 0.00 O ATOM 558 NE2 GLN A 33 9.929 0.510 -16.686 1.00 0.00 N ATOM 0 H GLN A 33 8.271 -3.582 -18.835 1.00 0.00 H new ATOM 0 HA GLN A 33 9.687 -4.544 -16.598 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.403 -2.542 -16.858 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.369 -2.752 -15.412 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.363 -1.977 -16.524 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.585 -2.028 -18.094 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.905 0.215 -16.668 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.691 1.495 -16.567 1.00 0.00 H new ATOM 567 N PHE A 34 6.593 -5.514 -16.858 1.00 0.00 N ATOM 568 CA PHE A 34 5.542 -6.333 -16.267 1.00 0.00 C ATOM 569 C PHE A 34 5.676 -7.795 -16.681 1.00 0.00 C ATOM 570 O PHE A 34 5.157 -8.690 -16.014 1.00 0.00 O ATOM 571 CB PHE A 34 4.166 -5.803 -16.675 1.00 0.00 C ATOM 572 CG PHE A 34 3.941 -4.365 -16.303 1.00 0.00 C ATOM 573 CD1 PHE A 34 3.680 -4.006 -14.991 1.00 0.00 C ATOM 574 CD2 PHE A 34 4.002 -3.371 -17.268 1.00 0.00 C ATOM 575 CE1 PHE A 34 3.482 -2.682 -14.647 1.00 0.00 C ATOM 576 CE2 PHE A 34 3.806 -2.045 -16.928 1.00 0.00 C ATOM 577 CZ PHE A 34 3.546 -1.700 -15.617 1.00 0.00 C ATOM 0 H PHE A 34 6.405 -5.213 -17.814 1.00 0.00 H new ATOM 0 HA PHE A 34 5.646 -6.275 -15.183 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.048 -5.913 -17.753 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.396 -6.416 -16.206 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.631 -4.769 -14.228 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.205 -3.635 -18.295 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.277 -2.415 -13.621 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.856 -1.279 -17.688 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.393 -0.665 -15.350 1.00 0.00 H new ATOM 587 N ASN A 35 6.392 -8.041 -17.773 1.00 0.00 N ATOM 588 CA ASN A 35 6.526 -9.397 -18.309 1.00 0.00 C ATOM 589 C ASN A 35 7.505 -10.235 -17.505 1.00 0.00 C ATOM 590 O ASN A 35 7.728 -11.405 -17.816 1.00 0.00 O ATOM 591 CB ASN A 35 6.933 -9.371 -19.784 1.00 0.00 C ATOM 592 CG ASN A 35 5.733 -9.364 -20.713 1.00 0.00 C ATOM 593 OD1 ASN A 35 5.239 -10.417 -21.115 1.00 0.00 O ATOM 594 ND2 ASN A 35 5.247 -8.183 -21.054 1.00 0.00 N ATOM 0 H ASN A 35 6.888 -7.325 -18.304 1.00 0.00 H new ATOM 0 HA ASN A 35 5.545 -9.866 -18.227 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.542 -8.488 -19.975 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.554 -10.240 -20.003 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.436 -8.124 -21.670 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.683 -7.331 -20.701 1.00 0.00 H new ATOM 601 N SER A 36 8.075 -9.648 -16.463 1.00 0.00 N ATOM 602 CA SER A 36 8.818 -10.424 -15.488 1.00 0.00 C ATOM 603 C SER A 36 7.863 -11.401 -14.817 1.00 0.00 C ATOM 604 O SER A 36 8.249 -12.497 -14.409 1.00 0.00 O ATOM 605 CB SER A 36 9.466 -9.503 -14.459 1.00 0.00 C ATOM 606 OG SER A 36 8.550 -8.521 -14.014 1.00 0.00 O ATOM 0 H SER A 36 8.037 -8.646 -16.274 1.00 0.00 H new ATOM 0 HA SER A 36 9.616 -10.978 -15.983 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.818 -10.090 -13.610 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.340 -9.020 -14.896 1.00 0.00 H new ATOM 0 HG SER A 36 9.041 -7.725 -13.722 1.00 0.00 H new ATOM 612 N THR A 37 6.598 -10.979 -14.733 1.00 0.00 N ATOM 613 CA THR A 37 5.507 -11.826 -14.274 1.00 0.00 C ATOM 614 C THR A 37 5.698 -12.230 -12.804 1.00 0.00 C ATOM 615 O THR A 37 5.167 -13.233 -12.331 1.00 0.00 O ATOM 616 CB THR A 37 5.378 -13.065 -15.192 1.00 0.00 C ATOM 617 OG1 THR A 37 5.432 -12.645 -16.566 1.00 0.00 O ATOM 618 CG2 THR A 37 4.071 -13.810 -14.951 1.00 0.00 C ATOM 0 H THR A 37 6.306 -10.034 -14.984 1.00 0.00 H new ATOM 0 HA THR A 37 4.577 -11.260 -14.331 1.00 0.00 H new ATOM 0 HB THR A 37 6.202 -13.741 -14.964 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.353 -12.402 -16.798 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.017 -14.674 -15.614 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.029 -14.145 -13.915 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.231 -13.145 -15.152 1.00 0.00 H new ATOM 626 N GLN A 38 6.449 -11.416 -12.077 1.00 0.00 N ATOM 627 CA GLN A 38 6.627 -11.617 -10.647 1.00 0.00 C ATOM 628 C GLN A 38 5.697 -10.691 -9.877 1.00 0.00 C ATOM 629 O GLN A 38 5.389 -9.600 -10.347 1.00 0.00 O ATOM 630 CB GLN A 38 8.075 -11.363 -10.234 1.00 0.00 C ATOM 631 CG GLN A 38 9.059 -12.372 -10.793 1.00 0.00 C ATOM 632 CD GLN A 38 10.430 -12.229 -10.171 1.00 0.00 C ATOM 633 OE1 GLN A 38 10.556 -11.816 -9.020 1.00 0.00 O ATOM 634 NE2 GLN A 38 11.462 -12.571 -10.920 1.00 0.00 N ATOM 0 H GLN A 38 6.945 -10.609 -12.455 1.00 0.00 H new ATOM 0 HA GLN A 38 6.383 -12.653 -10.413 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.367 -10.365 -10.562 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.139 -11.372 -9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.684 -13.380 -10.617 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.135 -12.244 -11.873 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.312 -12.909 -11.871 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.409 -12.497 -10.548 1.00 0.00 H new ATOM 643 N PRO A 39 5.250 -11.102 -8.679 1.00 0.00 N ATOM 644 CA PRO A 39 4.296 -10.321 -7.880 1.00 0.00 C ATOM 645 C PRO A 39 4.834 -8.948 -7.482 1.00 0.00 C ATOM 646 O PRO A 39 4.067 -8.040 -7.180 1.00 0.00 O ATOM 647 CB PRO A 39 4.066 -11.185 -6.635 1.00 0.00 C ATOM 648 CG PRO A 39 5.228 -12.116 -6.582 1.00 0.00 C ATOM 649 CD PRO A 39 5.624 -12.361 -8.009 1.00 0.00 C ATOM 0 HA PRO A 39 3.387 -10.111 -8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.012 -10.572 -5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.126 -11.733 -6.704 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.052 -11.680 -6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.959 -13.048 -6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.690 -12.566 -8.102 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.097 -13.216 -8.433 1.00 0.00 H new ATOM 657 N PHE A 40 6.153 -8.808 -7.480 1.00 0.00 N ATOM 658 CA PHE A 40 6.785 -7.544 -7.123 1.00 0.00 C ATOM 659 C PHE A 40 7.681 -7.043 -8.251 1.00 0.00 C ATOM 660 O PHE A 40 8.352 -6.024 -8.103 1.00 0.00 O ATOM 661 CB PHE A 40 7.610 -7.698 -5.841 1.00 0.00 C ATOM 662 CG PHE A 40 6.794 -8.031 -4.621 1.00 0.00 C ATOM 663 CD1 PHE A 40 6.243 -7.023 -3.846 1.00 0.00 C ATOM 664 CD2 PHE A 40 6.581 -9.349 -4.247 1.00 0.00 C ATOM 665 CE1 PHE A 40 5.493 -7.324 -2.724 1.00 0.00 C ATOM 666 CE2 PHE A 40 5.833 -9.653 -3.126 1.00 0.00 C ATOM 667 CZ PHE A 40 5.288 -8.641 -2.364 1.00 0.00 C ATOM 0 H PHE A 40 6.806 -9.553 -7.721 1.00 0.00 H new ATOM 0 HA PHE A 40 5.994 -6.814 -6.954 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.354 -8.480 -5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.155 -6.772 -5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.401 -5.991 -4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.005 -10.147 -4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.068 -6.529 -2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.675 -10.684 -2.846 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.702 -8.878 -1.488 1.00 0.00 H new ATOM 677 N PHE A 41 7.679 -7.769 -9.377 1.00 0.00 N ATOM 678 CA PHE A 41 8.531 -7.443 -10.531 1.00 0.00 C ATOM 679 C PHE A 41 9.973 -7.190 -10.086 1.00 0.00 C ATOM 680 O PHE A 41 10.585 -6.188 -10.459 1.00 0.00 O ATOM 681 CB PHE A 41 7.976 -6.219 -11.271 1.00 0.00 C ATOM 682 CG PHE A 41 6.538 -6.367 -11.694 1.00 0.00 C ATOM 683 CD1 PHE A 41 6.162 -7.347 -12.598 1.00 0.00 C ATOM 684 CD2 PHE A 41 5.563 -5.528 -11.180 1.00 0.00 C ATOM 685 CE1 PHE A 41 4.843 -7.488 -12.981 1.00 0.00 C ATOM 686 CE2 PHE A 41 4.241 -5.664 -11.560 1.00 0.00 C ATOM 687 CZ PHE A 41 3.881 -6.645 -12.462 1.00 0.00 C ATOM 0 H PHE A 41 7.093 -8.592 -9.514 1.00 0.00 H new ATOM 0 HA PHE A 41 8.529 -8.294 -11.212 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.068 -5.344 -10.627 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.587 -6.031 -12.154 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.910 -8.009 -13.008 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.839 -4.759 -10.474 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.564 -8.257 -13.686 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.490 -5.003 -11.152 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.849 -6.753 -12.761 1.00 0.00 H new ATOM 697 N MET A 42 10.517 -8.138 -9.324 1.00 0.00 N ATOM 698 CA MET A 42 11.766 -7.934 -8.588 1.00 0.00 C ATOM 699 C MET A 42 12.979 -7.814 -9.512 1.00 0.00 C ATOM 700 O MET A 42 13.950 -7.138 -9.175 1.00 0.00 O ATOM 701 CB MET A 42 11.995 -9.082 -7.597 1.00 0.00 C ATOM 702 CG MET A 42 10.772 -9.430 -6.763 1.00 0.00 C ATOM 703 SD MET A 42 11.081 -10.786 -5.612 1.00 0.00 S ATOM 704 CE MET A 42 9.415 -11.179 -5.081 1.00 0.00 C ATOM 0 H MET A 42 10.108 -9.064 -9.199 1.00 0.00 H new ATOM 0 HA MET A 42 11.662 -6.991 -8.051 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.310 -9.968 -8.149 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.814 -8.814 -6.929 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.455 -8.549 -6.205 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.950 -9.701 -7.425 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.339 -12.248 -4.883 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.183 -10.625 -4.172 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.709 -10.904 -5.864 1.00 0.00 H new ATOM 714 N ASP A 43 12.936 -8.470 -10.665 1.00 0.00 N ATOM 715 CA ASP A 43 14.085 -8.466 -11.566 1.00 0.00 C ATOM 716 C ASP A 43 14.029 -7.291 -12.537 1.00 0.00 C ATOM 717 O ASP A 43 15.066 -6.754 -12.926 1.00 0.00 O ATOM 718 CB ASP A 43 14.183 -9.781 -12.347 1.00 0.00 C ATOM 719 CG ASP A 43 13.094 -9.936 -13.386 1.00 0.00 C ATOM 720 OD1 ASP A 43 11.971 -10.332 -13.017 1.00 0.00 O ATOM 721 OD2 ASP A 43 13.360 -9.676 -14.579 1.00 0.00 O ATOM 0 H ASP A 43 12.132 -9.004 -10.996 1.00 0.00 H new ATOM 0 HA ASP A 43 14.975 -8.360 -10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.155 -9.834 -12.837 1.00 0.00 H new ATOM 0 HB3 ASP A 43 14.132 -10.616 -11.649 1.00 0.00 H new ATOM 726 N THR A 44 12.826 -6.888 -12.925 1.00 0.00 N ATOM 727 CA THR A 44 12.665 -5.798 -13.872 1.00 0.00 C ATOM 728 C THR A 44 12.814 -4.443 -13.191 1.00 0.00 C ATOM 729 O THR A 44 13.502 -3.555 -13.699 1.00 0.00 O ATOM 730 CB THR A 44 11.308 -5.882 -14.601 1.00 0.00 C ATOM 731 OG1 THR A 44 10.275 -6.287 -13.689 1.00 0.00 O ATOM 732 CG2 THR A 44 11.384 -6.860 -15.764 1.00 0.00 C ATOM 0 H THR A 44 11.952 -7.299 -12.599 1.00 0.00 H new ATOM 0 HA THR A 44 13.459 -5.898 -14.613 1.00 0.00 H new ATOM 0 HB THR A 44 11.069 -4.893 -14.991 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.406 -5.979 -14.022 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.417 -6.905 -16.265 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.144 -6.527 -16.471 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.645 -7.850 -15.390 1.00 0.00 H new ATOM 740 N MET A 45 12.185 -4.297 -12.037 1.00 0.00 N ATOM 741 CA MET A 45 12.258 -3.064 -11.266 1.00 0.00 C ATOM 742 C MET A 45 12.471 -3.400 -9.800 1.00 0.00 C ATOM 743 O MET A 45 12.772 -4.543 -9.460 1.00 0.00 O ATOM 744 CB MET A 45 10.973 -2.243 -11.430 1.00 0.00 C ATOM 745 CG MET A 45 10.691 -1.806 -12.862 1.00 0.00 C ATOM 746 SD MET A 45 12.004 -0.783 -13.565 1.00 0.00 S ATOM 747 CE MET A 45 11.954 0.633 -12.470 1.00 0.00 C ATOM 0 H MET A 45 11.612 -5.024 -11.609 1.00 0.00 H new ATOM 0 HA MET A 45 13.094 -2.469 -11.633 1.00 0.00 H new ATOM 0 HB2 MET A 45 10.130 -2.832 -11.069 1.00 0.00 H new ATOM 0 HB3 MET A 45 11.037 -1.358 -10.798 1.00 0.00 H new ATOM 0 HG2 MET A 45 10.555 -2.690 -13.485 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.753 -1.251 -12.888 1.00 0.00 H new ATOM 0 HE1 MET A 45 12.964 1.017 -12.326 1.00 0.00 H new ATOM 0 HE2 MET A 45 11.329 1.411 -12.909 1.00 0.00 H new ATOM 0 HE3 MET A 45 11.539 0.334 -11.507 1.00 0.00 H new ATOM 757 N GLU A 46 12.344 -2.415 -8.935 1.00 0.00 N ATOM 758 CA GLU A 46 12.389 -2.663 -7.508 1.00 0.00 C ATOM 759 C GLU A 46 11.000 -2.445 -6.913 1.00 0.00 C ATOM 760 O GLU A 46 10.174 -1.750 -7.507 1.00 0.00 O ATOM 761 CB GLU A 46 13.424 -1.763 -6.813 1.00 0.00 C ATOM 762 CG GLU A 46 13.133 -0.271 -6.900 1.00 0.00 C ATOM 763 CD GLU A 46 13.447 0.324 -8.258 1.00 0.00 C ATOM 764 OE1 GLU A 46 12.574 0.285 -9.147 1.00 0.00 O ATOM 765 OE2 GLU A 46 14.566 0.844 -8.436 1.00 0.00 O ATOM 0 H GLU A 46 12.209 -1.438 -9.194 1.00 0.00 H new ATOM 0 HA GLU A 46 12.696 -3.696 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.484 -2.047 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.404 -1.954 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.081 -0.099 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.715 0.250 -6.140 1.00 0.00 H new ATOM 772 N PRO A 47 10.715 -3.043 -5.745 1.00 0.00 N ATOM 773 CA PRO A 47 9.424 -2.889 -5.059 1.00 0.00 C ATOM 774 C PRO A 47 9.046 -1.422 -4.843 1.00 0.00 C ATOM 775 O PRO A 47 7.872 -1.083 -4.748 1.00 0.00 O ATOM 776 CB PRO A 47 9.628 -3.597 -3.711 1.00 0.00 C ATOM 777 CG PRO A 47 11.097 -3.836 -3.601 1.00 0.00 C ATOM 778 CD PRO A 47 11.611 -3.940 -5.005 1.00 0.00 C ATOM 0 HA PRO A 47 8.609 -3.309 -5.648 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.268 -2.981 -2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.074 -4.535 -3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.585 -3.020 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.302 -4.750 -3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.652 -3.624 -5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.560 -4.962 -5.380 1.00 0.00 H new ATOM 786 N LEU A 48 10.052 -0.554 -4.792 1.00 0.00 N ATOM 787 CA LEU A 48 9.820 0.876 -4.613 1.00 0.00 C ATOM 788 C LEU A 48 9.096 1.469 -5.820 1.00 0.00 C ATOM 789 O LEU A 48 8.432 2.500 -5.712 1.00 0.00 O ATOM 790 CB LEU A 48 11.146 1.606 -4.386 1.00 0.00 C ATOM 791 CG LEU A 48 11.886 1.224 -3.102 1.00 0.00 C ATOM 792 CD1 LEU A 48 13.196 1.990 -2.997 1.00 0.00 C ATOM 793 CD2 LEU A 48 11.014 1.494 -1.884 1.00 0.00 C ATOM 0 H LEU A 48 11.035 -0.815 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 48 9.187 1.007 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.800 1.411 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.954 2.679 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 48 12.110 0.158 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.710 1.707 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.826 1.752 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.991 3.061 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.556 1.217 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.761 2.554 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.099 0.905 -1.954 1.00 0.00 H new ATOM 805 N GLU A 49 9.233 0.816 -6.966 1.00 0.00 N ATOM 806 CA GLU A 49 8.544 1.242 -8.174 1.00 0.00 C ATOM 807 C GLU A 49 7.174 0.571 -8.248 1.00 0.00 C ATOM 808 O GLU A 49 6.194 1.177 -8.668 1.00 0.00 O ATOM 809 CB GLU A 49 9.372 0.884 -9.413 1.00 0.00 C ATOM 810 CG GLU A 49 8.893 1.558 -10.689 1.00 0.00 C ATOM 811 CD GLU A 49 9.101 3.058 -10.660 1.00 0.00 C ATOM 812 OE1 GLU A 49 8.274 3.765 -10.057 1.00 0.00 O ATOM 813 OE2 GLU A 49 10.105 3.535 -11.229 1.00 0.00 O ATOM 0 H GLU A 49 9.817 -0.012 -7.083 1.00 0.00 H new ATOM 0 HA GLU A 49 8.413 2.324 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.411 1.160 -9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.349 -0.197 -9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.425 1.136 -11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.834 1.343 -10.835 1.00 0.00 H new ATOM 820 N TRP A 50 7.129 -0.684 -7.812 1.00 0.00 N ATOM 821 CA TRP A 50 5.902 -1.478 -7.809 1.00 0.00 C ATOM 822 C TRP A 50 4.884 -0.915 -6.816 1.00 0.00 C ATOM 823 O TRP A 50 3.670 -1.058 -7.000 1.00 0.00 O ATOM 824 CB TRP A 50 6.241 -2.931 -7.458 1.00 0.00 C ATOM 825 CG TRP A 50 5.044 -3.815 -7.273 1.00 0.00 C ATOM 826 CD1 TRP A 50 4.314 -4.420 -8.253 1.00 0.00 C ATOM 827 CD2 TRP A 50 4.439 -4.191 -6.030 1.00 0.00 C ATOM 828 NE1 TRP A 50 3.295 -5.152 -7.696 1.00 0.00 N ATOM 829 CE2 TRP A 50 3.350 -5.027 -6.333 1.00 0.00 C ATOM 830 CE3 TRP A 50 4.717 -3.903 -4.691 1.00 0.00 C ATOM 831 CZ2 TRP A 50 2.537 -5.577 -5.347 1.00 0.00 C ATOM 832 CZ3 TRP A 50 3.908 -4.449 -3.713 1.00 0.00 C ATOM 833 CH2 TRP A 50 2.831 -5.279 -4.045 1.00 0.00 C ATOM 0 H TRP A 50 7.943 -1.181 -7.450 1.00 0.00 H new ATOM 0 HA TRP A 50 5.454 -1.437 -8.802 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.867 -3.347 -8.247 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.832 -2.943 -6.542 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.509 -4.336 -9.312 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.608 -5.700 -8.213 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.548 -3.266 -4.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.704 -6.216 -5.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 4.110 -4.232 -2.675 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.220 -5.693 -3.257 1.00 0.00 H new ATOM 844 N LEU A 51 5.395 -0.282 -5.765 1.00 0.00 N ATOM 845 CA LEU A 51 4.564 0.318 -4.729 1.00 0.00 C ATOM 846 C LEU A 51 3.568 1.300 -5.339 1.00 0.00 C ATOM 847 O LEU A 51 2.414 1.381 -4.915 1.00 0.00 O ATOM 848 CB LEU A 51 5.459 1.019 -3.701 1.00 0.00 C ATOM 849 CG LEU A 51 4.755 1.559 -2.452 1.00 0.00 C ATOM 850 CD1 LEU A 51 4.003 0.451 -1.734 1.00 0.00 C ATOM 851 CD2 LEU A 51 5.767 2.197 -1.515 1.00 0.00 C ATOM 0 H LEU A 51 6.397 -0.171 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 51 3.994 -0.465 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.231 0.318 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.965 1.848 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 51 4.035 2.315 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.511 0.858 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.254 0.027 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.703 -0.328 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.255 2.577 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.505 1.453 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.268 3.019 -2.026 1.00 0.00 H new ATOM 863 N GLN A 52 4.014 2.029 -6.353 1.00 0.00 N ATOM 864 CA GLN A 52 3.143 2.939 -7.078 1.00 0.00 C ATOM 865 C GLN A 52 2.779 2.348 -8.432 1.00 0.00 C ATOM 866 O GLN A 52 3.312 1.311 -8.822 1.00 0.00 O ATOM 867 CB GLN A 52 3.801 4.305 -7.268 1.00 0.00 C ATOM 868 CG GLN A 52 5.179 4.246 -7.903 1.00 0.00 C ATOM 869 CD GLN A 52 5.581 5.563 -8.532 1.00 0.00 C ATOM 870 OE1 GLN A 52 5.125 6.628 -8.128 1.00 0.00 O ATOM 871 NE2 GLN A 52 6.454 5.501 -9.519 1.00 0.00 N ATOM 0 H GLN A 52 4.976 2.007 -6.691 1.00 0.00 H new ATOM 0 HA GLN A 52 2.237 3.077 -6.488 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.153 4.925 -7.888 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.880 4.796 -6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.913 3.969 -7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.193 3.464 -8.663 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.811 4.597 -9.828 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.772 6.357 -9.973 1.00 0.00 H new ATOM 880 N TRP A 53 1.871 3.026 -9.134 1.00 0.00 N ATOM 881 CA TRP A 53 1.366 2.592 -10.442 1.00 0.00 C ATOM 882 C TRP A 53 0.556 1.296 -10.346 1.00 0.00 C ATOM 883 O TRP A 53 -0.577 1.236 -10.818 1.00 0.00 O ATOM 884 CB TRP A 53 2.495 2.434 -11.467 1.00 0.00 C ATOM 885 CG TRP A 53 1.985 2.237 -12.862 1.00 0.00 C ATOM 886 CD1 TRP A 53 1.928 1.067 -13.563 1.00 0.00 C ATOM 887 CD2 TRP A 53 1.435 3.246 -13.719 1.00 0.00 C ATOM 888 NE1 TRP A 53 1.379 1.288 -14.805 1.00 0.00 N ATOM 889 CE2 TRP A 53 1.069 2.617 -14.923 1.00 0.00 C ATOM 890 CE3 TRP A 53 1.217 4.620 -13.584 1.00 0.00 C ATOM 891 CZ2 TRP A 53 0.498 3.315 -15.983 1.00 0.00 C ATOM 892 CZ3 TRP A 53 0.650 5.312 -14.637 1.00 0.00 C ATOM 893 CH2 TRP A 53 0.295 4.659 -15.823 1.00 0.00 C ATOM 0 H TRP A 53 1.460 3.901 -8.810 1.00 0.00 H new ATOM 0 HA TRP A 53 0.699 3.382 -10.787 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.132 3.318 -11.439 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.117 1.583 -11.188 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.265 0.108 -13.196 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.227 0.578 -15.521 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.487 5.132 -12.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.225 2.814 -16.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.478 6.374 -14.543 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.148 5.227 -16.628 1.00 0.00 H new ATOM 904 N VAL A 54 1.127 0.264 -9.740 1.00 0.00 N ATOM 905 CA VAL A 54 0.437 -1.005 -9.620 1.00 0.00 C ATOM 906 C VAL A 54 -0.246 -1.149 -8.267 1.00 0.00 C ATOM 907 O VAL A 54 -1.459 -1.028 -8.186 1.00 0.00 O ATOM 908 CB VAL A 54 1.366 -2.213 -9.838 1.00 0.00 C ATOM 909 CG1 VAL A 54 0.555 -3.504 -9.817 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.135 -2.079 -11.144 1.00 0.00 C ATOM 0 H VAL A 54 2.060 0.283 -9.328 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.314 -1.001 -10.410 1.00 0.00 H new ATOM 0 HB VAL A 54 2.093 -2.243 -9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.220 -4.354 -9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.056 -3.605 -8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.191 -3.478 -10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.784 -2.945 -11.275 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.433 -2.023 -11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.740 -1.173 -11.119 1.00 0.00 H new ATOM 920 N LEU A 55 0.535 -1.376 -7.206 1.00 0.00 N ATOM 921 CA LEU A 55 -0.024 -1.761 -5.904 1.00 0.00 C ATOM 922 C LEU A 55 -1.163 -0.849 -5.452 1.00 0.00 C ATOM 923 O LEU A 55 -2.317 -1.278 -5.400 1.00 0.00 O ATOM 924 CB LEU A 55 1.055 -1.798 -4.820 1.00 0.00 C ATOM 925 CG LEU A 55 0.527 -2.123 -3.417 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.100 -3.508 -3.381 1.00 0.00 C ATOM 927 CD2 LEU A 55 1.633 -2.016 -2.386 1.00 0.00 C ATOM 0 H LEU A 55 1.552 -1.301 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.432 -2.762 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.805 -2.540 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.559 -0.832 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.243 -1.392 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.467 -3.715 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.930 -3.550 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.647 -4.253 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.234 -2.251 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.429 -2.718 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.032 -1.002 -2.384 1.00 0.00 H new ATOM 939 N ILE A 56 -0.840 0.395 -5.121 1.00 0.00 N ATOM 940 CA ILE A 56 -1.838 1.323 -4.596 1.00 0.00 C ATOM 941 C ILE A 56 -3.035 1.484 -5.554 1.00 0.00 C ATOM 942 O ILE A 56 -4.174 1.254 -5.146 1.00 0.00 O ATOM 943 CB ILE A 56 -1.226 2.703 -4.248 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.146 2.548 -3.173 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.305 3.667 -3.775 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.539 3.847 -2.805 1.00 0.00 C ATOM 0 H ILE A 56 0.099 0.784 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.208 0.883 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.770 3.113 -5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.596 2.119 -2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.604 1.839 -3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.853 4.630 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.046 3.799 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.790 3.263 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.291 3.658 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.019 4.268 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.199 4.552 -2.423 1.00 0.00 H new ATOM 958 N PRO A 57 -2.819 1.852 -6.839 1.00 0.00 N ATOM 959 CA PRO A 57 -3.923 2.031 -7.796 1.00 0.00 C ATOM 960 C PRO A 57 -4.735 0.753 -8.028 1.00 0.00 C ATOM 961 O PRO A 57 -5.958 0.809 -8.137 1.00 0.00 O ATOM 962 CB PRO A 57 -3.222 2.466 -9.088 1.00 0.00 C ATOM 963 CG PRO A 57 -1.911 3.000 -8.638 1.00 0.00 C ATOM 964 CD PRO A 57 -1.519 2.146 -7.472 1.00 0.00 C ATOM 0 HA PRO A 57 -4.651 2.753 -7.426 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.095 1.627 -9.773 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.799 3.225 -9.617 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.169 2.944 -9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.991 4.048 -8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.007 1.237 -7.789 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.847 2.670 -6.793 1.00 0.00 H new ATOM 972 N ARG A 58 -4.066 -0.394 -8.080 1.00 0.00 N ATOM 973 CA ARG A 58 -4.749 -1.661 -8.330 1.00 0.00 C ATOM 974 C ARG A 58 -5.572 -2.075 -7.110 1.00 0.00 C ATOM 975 O ARG A 58 -6.630 -2.692 -7.237 1.00 0.00 O ATOM 976 CB ARG A 58 -3.751 -2.760 -8.702 1.00 0.00 C ATOM 977 CG ARG A 58 -4.413 -4.049 -9.157 1.00 0.00 C ATOM 978 CD ARG A 58 -3.407 -5.009 -9.763 1.00 0.00 C ATOM 979 NE ARG A 58 -4.042 -6.247 -10.214 1.00 0.00 N ATOM 980 CZ ARG A 58 -3.746 -6.873 -11.354 1.00 0.00 C ATOM 981 NH1 ARG A 58 -2.893 -6.336 -12.221 1.00 0.00 N ATOM 982 NH2 ARG A 58 -4.340 -8.023 -11.645 1.00 0.00 N ATOM 0 H ARG A 58 -3.057 -0.474 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.424 -1.520 -9.174 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.100 -2.395 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.117 -2.971 -7.841 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.906 -4.525 -8.309 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.188 -3.822 -9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.908 -4.529 -10.605 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.638 -5.242 -9.027 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.759 -6.659 -9.617 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.458 -5.436 -12.017 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.674 -6.824 -13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.019 -8.424 -10.998 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.117 -8.506 -12.515 1.00 0.00 H new ATOM 996 N MET A 59 -5.081 -1.729 -5.924 1.00 0.00 N ATOM 997 CA MET A 59 -5.824 -1.973 -4.690 1.00 0.00 C ATOM 998 C MET A 59 -7.003 -1.016 -4.582 1.00 0.00 C ATOM 999 O MET A 59 -8.018 -1.333 -3.959 1.00 0.00 O ATOM 1000 CB MET A 59 -4.913 -1.844 -3.467 1.00 0.00 C ATOM 1001 CG MET A 59 -4.047 -3.069 -3.230 1.00 0.00 C ATOM 1002 SD MET A 59 -5.025 -4.559 -2.951 1.00 0.00 S ATOM 1003 CE MET A 59 -3.737 -5.758 -2.630 1.00 0.00 C ATOM 0 H MET A 59 -4.175 -1.280 -5.790 1.00 0.00 H new ATOM 0 HA MET A 59 -6.206 -2.993 -4.719 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.271 -0.972 -3.592 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.526 -1.665 -2.584 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.395 -3.221 -4.090 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.403 -2.894 -2.368 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.023 -6.721 -3.052 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.806 -5.423 -3.088 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.596 -5.861 -1.554 1.00 0.00 H new ATOM 1013 N HIS A 60 -6.869 0.157 -5.201 1.00 0.00 N ATOM 1014 CA HIS A 60 -7.984 1.091 -5.311 1.00 0.00 C ATOM 1015 C HIS A 60 -9.158 0.412 -6.008 1.00 0.00 C ATOM 1016 O HIS A 60 -10.314 0.613 -5.631 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.586 2.355 -6.089 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.022 3.470 -5.252 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -7.778 4.534 -4.820 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -5.766 3.706 -4.805 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.015 5.374 -4.145 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -5.785 4.900 -4.120 1.00 0.00 N ATOM 0 H HIS A 60 -6.002 0.480 -5.631 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.272 1.390 -4.303 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.850 2.081 -6.844 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.463 2.727 -6.619 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.905 3.072 -4.958 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.344 6.296 -3.689 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.984 5.343 -3.670 1.00 0.00 H new ATOM 1031 N ASP A 61 -8.848 -0.409 -7.013 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.866 -1.164 -7.738 1.00 0.00 C ATOM 1033 C ASP A 61 -10.555 -2.153 -6.810 1.00 0.00 C ATOM 1034 O ASP A 61 -11.773 -2.138 -6.679 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.260 -1.935 -8.916 1.00 0.00 C ATOM 1036 CG ASP A 61 -8.633 -1.042 -9.963 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -9.358 -0.221 -10.563 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -7.422 -1.181 -10.215 1.00 0.00 O ATOM 0 H ASP A 61 -7.896 -0.567 -7.343 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.590 -0.444 -8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.505 -2.625 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.038 -2.539 -9.383 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.756 -2.998 -6.160 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.264 -4.034 -5.255 1.00 0.00 C ATOM 1045 C LEU A 62 -11.272 -3.460 -4.259 1.00 0.00 C ATOM 1046 O LEU A 62 -12.337 -4.036 -4.026 1.00 0.00 O ATOM 1047 CB LEU A 62 -9.093 -4.673 -4.496 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.476 -5.702 -3.428 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -10.018 -6.972 -4.065 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -8.283 -6.022 -2.540 1.00 0.00 C ATOM 0 H LEU A 62 -8.740 -2.986 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.774 -4.788 -5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.435 -5.155 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.517 -3.880 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.262 -5.268 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.282 -7.686 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.903 -6.734 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.257 -7.407 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.575 -6.755 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.475 -6.429 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.942 -5.112 -2.047 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.929 -2.315 -3.689 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.766 -1.667 -2.688 1.00 0.00 C ATOM 1064 C LEU A 63 -13.038 -1.089 -3.297 1.00 0.00 C ATOM 1065 O LEU A 63 -14.136 -1.321 -2.789 1.00 0.00 O ATOM 1066 CB LEU A 63 -10.982 -0.554 -2.003 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.767 -1.026 -1.215 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -8.862 0.142 -0.892 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -10.201 -1.730 0.058 1.00 0.00 C ATOM 0 H LEU A 63 -10.069 -1.811 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.056 -2.425 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.654 0.159 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.650 -0.019 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.211 -1.735 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.998 -0.212 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.525 0.608 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.409 0.872 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.321 -2.061 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.778 -1.042 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.816 -2.593 -0.195 1.00 0.00 H new ATOM 1081 N ASP A 64 -12.883 -0.347 -4.388 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.008 0.362 -4.997 1.00 0.00 C ATOM 1083 C ASP A 64 -14.946 -0.609 -5.712 1.00 0.00 C ATOM 1084 O ASP A 64 -16.141 -0.352 -5.844 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.505 1.427 -5.975 1.00 0.00 C ATOM 1086 CG ASP A 64 -14.624 2.298 -6.508 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -15.310 2.955 -5.697 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -14.811 2.344 -7.743 1.00 0.00 O ATOM 0 H ASP A 64 -11.993 -0.220 -4.869 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.567 0.852 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.766 2.054 -5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.999 0.940 -6.809 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.395 -1.737 -6.156 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.194 -2.793 -6.782 1.00 0.00 C ATOM 1095 C ASN A 65 -15.974 -3.559 -5.724 1.00 0.00 C ATOM 1096 O ASN A 65 -16.758 -4.453 -6.042 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.312 -3.761 -7.584 1.00 0.00 C ATOM 1098 CG ASN A 65 -13.803 -3.172 -8.894 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -13.571 -3.894 -9.864 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.624 -1.863 -8.934 1.00 0.00 N ATOM 0 H ASN A 65 -13.398 -1.945 -6.095 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.892 -2.319 -7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.460 -4.057 -6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.880 -4.666 -7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.283 -1.421 -9.788 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.826 -1.295 -8.111 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.731 -3.200 -4.461 1.00 0.00 N ATOM 1108 CA LYS A 66 -16.482 -3.728 -3.322 1.00 0.00 C ATOM 1109 C LYS A 66 -16.227 -5.222 -3.123 1.00 0.00 C ATOM 1110 O LYS A 66 -17.057 -5.934 -2.561 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.982 -3.473 -3.504 1.00 0.00 C ATOM 1112 CG LYS A 66 -18.318 -2.039 -3.884 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.818 -1.815 -3.966 1.00 0.00 C ATOM 1114 CE LYS A 66 -20.154 -0.511 -4.676 1.00 0.00 C ATOM 1115 NZ LYS A 66 -19.404 0.646 -4.120 1.00 0.00 N ATOM 0 H LYS A 66 -15.005 -2.533 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.135 -3.205 -2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.364 -4.143 -4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.499 -3.725 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.888 -1.358 -3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.862 -1.801 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -20.282 -2.647 -4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.240 -1.801 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.929 -0.610 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.224 -0.321 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.808 1.531 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.474 0.639 -3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.405 0.579 -4.400 1.00 0.00 H new ATOM 1129 N GLN A 67 -15.060 -5.683 -3.552 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.707 -7.089 -3.415 1.00 0.00 C ATOM 1131 C GLN A 67 -14.094 -7.355 -2.044 1.00 0.00 C ATOM 1132 O GLN A 67 -13.580 -6.433 -1.402 1.00 0.00 O ATOM 1133 CB GLN A 67 -13.734 -7.508 -4.520 1.00 0.00 C ATOM 1134 CG GLN A 67 -14.292 -7.337 -5.923 1.00 0.00 C ATOM 1135 CD GLN A 67 -15.622 -8.046 -6.123 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -15.906 -9.069 -5.493 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -16.445 -7.510 -7.006 1.00 0.00 N ATOM 0 H GLN A 67 -14.345 -5.107 -3.996 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.617 -7.681 -3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.820 -6.922 -4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.459 -8.552 -4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.418 -6.274 -6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.570 -7.720 -6.644 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.175 -6.664 -7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.351 -7.942 -7.187 1.00 0.00 H new ATOM 1146 N PRO A 68 -14.168 -8.609 -1.564 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.576 -9.005 -0.279 1.00 0.00 C ATOM 1148 C PRO A 68 -12.074 -8.745 -0.234 1.00 0.00 C ATOM 1149 O PRO A 68 -11.398 -8.760 -1.265 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.862 -10.508 -0.193 1.00 0.00 C ATOM 1151 CG PRO A 68 -15.014 -10.731 -1.107 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.850 -9.737 -2.222 1.00 0.00 C ATOM 0 HA PRO A 68 -13.992 -8.435 0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.995 -11.093 -0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.103 -10.807 0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.017 -11.751 -1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.960 -10.583 -0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.258 -10.144 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.811 -9.439 -2.641 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.557 -8.514 0.959 1.00 0.00 N ATOM 1161 CA LEU A 69 -10.156 -8.180 1.129 1.00 0.00 C ATOM 1162 C LEU A 69 -9.365 -9.406 1.561 1.00 0.00 C ATOM 1163 O LEU A 69 -9.827 -10.193 2.389 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.998 -7.065 2.164 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.732 -5.766 1.830 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -10.524 -4.736 2.928 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -10.263 -5.222 0.490 1.00 0.00 C ATOM 0 H LEU A 69 -12.090 -8.552 1.828 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.767 -7.832 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.356 -7.430 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.937 -6.846 2.281 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.799 -5.980 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.054 -3.819 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.909 -5.126 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.460 -4.523 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.795 -4.297 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.192 -5.024 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.465 -5.955 -0.291 1.00 0.00 H new ATOM 1179 N PRO A 70 -8.171 -9.594 0.988 1.00 0.00 N ATOM 1180 CA PRO A 70 -7.295 -10.704 1.346 1.00 0.00 C ATOM 1181 C PRO A 70 -6.635 -10.479 2.706 1.00 0.00 C ATOM 1182 O PRO A 70 -5.702 -9.683 2.834 1.00 0.00 O ATOM 1183 CB PRO A 70 -6.263 -10.712 0.215 1.00 0.00 C ATOM 1184 CG PRO A 70 -6.203 -9.300 -0.256 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.585 -8.733 -0.058 1.00 0.00 C ATOM 0 HA PRO A 70 -7.825 -11.651 1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.290 -11.052 0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.562 -11.385 -0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.464 -8.732 0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.909 -9.251 -1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.548 -7.690 0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.168 -8.768 -0.978 1.00 0.00 H new ATOM 1193 N GLY A 71 -7.133 -11.175 3.720 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.661 -10.966 5.078 1.00 0.00 C ATOM 1195 C GLY A 71 -5.205 -11.338 5.266 1.00 0.00 C ATOM 1196 O GLY A 71 -4.514 -10.769 6.109 1.00 0.00 O ATOM 0 H GLY A 71 -7.860 -11.885 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.800 -9.919 5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.271 -11.555 5.763 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.732 -12.280 4.464 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.364 -12.767 4.582 1.00 0.00 C ATOM 1202 C ALA A 72 -2.406 -11.955 3.719 1.00 0.00 C ATOM 1203 O ALA A 72 -1.306 -12.405 3.397 1.00 0.00 O ATOM 1204 CB ALA A 72 -3.295 -14.240 4.210 1.00 0.00 C ATOM 0 H ALA A 72 -5.275 -12.723 3.723 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.055 -12.649 5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.267 -14.591 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.936 -14.815 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.632 -14.372 3.182 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.822 -10.754 3.358 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.992 -9.873 2.558 1.00 0.00 C ATOM 1212 C PHE A 73 -1.211 -8.930 3.462 1.00 0.00 C ATOM 1213 O PHE A 73 -1.797 -8.191 4.255 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.849 -9.073 1.575 1.00 0.00 C ATOM 1215 CG PHE A 73 -2.051 -8.242 0.612 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.500 -8.817 -0.522 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.852 -6.890 0.838 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.766 -8.059 -1.413 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -1.118 -6.127 -0.050 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.573 -6.712 -1.177 1.00 0.00 C ATOM 0 H PHE A 73 -3.732 -10.366 3.607 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.289 -10.480 1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.478 -9.762 1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.516 -8.420 2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.646 -9.870 -0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.275 -6.427 1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.343 -8.519 -2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.970 -5.074 0.137 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.002 -6.118 -1.871 1.00 0.00 H new ATOM 1230 N ALA A 74 0.109 -8.978 3.353 1.00 0.00 N ATOM 1231 CA ALA A 74 0.979 -8.112 4.133 1.00 0.00 C ATOM 1232 C ALA A 74 2.239 -7.784 3.343 1.00 0.00 C ATOM 1233 O ALA A 74 2.978 -8.685 2.936 1.00 0.00 O ATOM 1234 CB ALA A 74 1.333 -8.768 5.459 1.00 0.00 C ATOM 0 H ALA A 74 0.603 -9.613 2.726 1.00 0.00 H new ATOM 0 HA ALA A 74 0.450 -7.183 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.984 -8.106 6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.422 -8.957 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.847 -9.711 5.273 1.00 0.00 H new ATOM 1240 N VAL A 75 2.476 -6.500 3.119 1.00 0.00 N ATOM 1241 CA VAL A 75 3.614 -6.066 2.322 1.00 0.00 C ATOM 1242 C VAL A 75 4.800 -5.663 3.192 1.00 0.00 C ATOM 1243 O VAL A 75 5.952 -5.832 2.783 1.00 0.00 O ATOM 1244 CB VAL A 75 3.256 -4.897 1.381 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.338 -5.368 0.268 1.00 0.00 C ATOM 1246 CG2 VAL A 75 2.616 -3.753 2.149 1.00 0.00 C ATOM 0 H VAL A 75 1.896 -5.741 3.477 1.00 0.00 H new ATOM 0 HA VAL A 75 3.895 -6.928 1.717 1.00 0.00 H new ATOM 0 HB VAL A 75 4.181 -4.530 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.097 -4.529 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.837 -6.146 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.420 -5.768 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.374 -2.943 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.704 -4.104 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.310 -3.390 2.907 1.00 0.00 H new ATOM 1256 N ALA A 76 4.528 -5.151 4.392 1.00 0.00 N ATOM 1257 CA ALA A 76 5.593 -4.692 5.286 1.00 0.00 C ATOM 1258 C ALA A 76 6.627 -5.794 5.560 1.00 0.00 C ATOM 1259 O ALA A 76 7.824 -5.546 5.432 1.00 0.00 O ATOM 1260 CB ALA A 76 5.021 -4.151 6.592 1.00 0.00 C ATOM 0 H ALA A 76 3.585 -5.044 4.767 1.00 0.00 H new ATOM 0 HA ALA A 76 6.109 -3.879 4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.835 -3.818 7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.360 -3.311 6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.459 -4.937 7.096 1.00 0.00 H new ATOM 1266 N PRO A 77 6.195 -7.030 5.925 1.00 0.00 N ATOM 1267 CA PRO A 77 7.117 -8.155 6.156 1.00 0.00 C ATOM 1268 C PRO A 77 8.071 -8.398 4.983 1.00 0.00 C ATOM 1269 O PRO A 77 9.205 -8.840 5.177 1.00 0.00 O ATOM 1270 CB PRO A 77 6.184 -9.352 6.337 1.00 0.00 C ATOM 1271 CG PRO A 77 4.919 -8.765 6.846 1.00 0.00 C ATOM 1272 CD PRO A 77 4.791 -7.426 6.182 1.00 0.00 C ATOM 0 HA PRO A 77 7.768 -7.966 7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.027 -9.878 5.395 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.597 -10.074 7.041 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.068 -9.403 6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.945 -8.662 7.931 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.217 -7.490 5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.283 -6.707 6.824 1.00 0.00 H new ATOM 1280 N TYR A 78 7.618 -8.110 3.767 1.00 0.00 N ATOM 1281 CA TYR A 78 8.464 -8.275 2.591 1.00 0.00 C ATOM 1282 C TYR A 78 9.397 -7.081 2.437 1.00 0.00 C ATOM 1283 O TYR A 78 10.564 -7.238 2.080 1.00 0.00 O ATOM 1284 CB TYR A 78 7.632 -8.452 1.314 1.00 0.00 C ATOM 1285 CG TYR A 78 8.478 -8.479 0.054 1.00 0.00 C ATOM 1286 CD1 TYR A 78 9.218 -9.606 -0.287 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.551 -7.371 -0.782 1.00 0.00 C ATOM 1288 CE1 TYR A 78 10.010 -9.624 -1.423 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.335 -7.384 -1.922 1.00 0.00 C ATOM 1290 CZ TYR A 78 10.064 -8.511 -2.235 1.00 0.00 C ATOM 1291 OH TYR A 78 10.853 -8.525 -3.363 1.00 0.00 O ATOM 0 H TYR A 78 6.679 -7.764 3.571 1.00 0.00 H new ATOM 0 HA TYR A 78 9.054 -9.180 2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.063 -9.379 1.383 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.909 -7.639 1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.174 -10.481 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.986 -6.484 -0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.582 -10.505 -1.672 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.375 -6.516 -2.563 1.00 0.00 H new ATOM 0 HH TYR A 78 10.899 -9.437 -3.718 1.00 0.00 H new ATOM 1301 N TYR A 79 8.885 -5.891 2.717 1.00 0.00 N ATOM 1302 CA TYR A 79 9.677 -4.675 2.596 1.00 0.00 C ATOM 1303 C TYR A 79 10.788 -4.630 3.638 1.00 0.00 C ATOM 1304 O TYR A 79 11.754 -3.888 3.484 1.00 0.00 O ATOM 1305 CB TYR A 79 8.793 -3.433 2.692 1.00 0.00 C ATOM 1306 CG TYR A 79 8.161 -3.050 1.374 1.00 0.00 C ATOM 1307 CD1 TYR A 79 7.045 -3.721 0.891 1.00 0.00 C ATOM 1308 CD2 TYR A 79 8.688 -2.018 0.608 1.00 0.00 C ATOM 1309 CE1 TYR A 79 6.475 -3.378 -0.317 1.00 0.00 C ATOM 1310 CE2 TYR A 79 8.120 -1.667 -0.601 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.014 -2.349 -1.058 1.00 0.00 C ATOM 1312 OH TYR A 79 6.452 -2.009 -2.264 1.00 0.00 O ATOM 0 H TYR A 79 7.926 -5.741 3.029 1.00 0.00 H new ATOM 0 HA TYR A 79 10.144 -4.684 1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.007 -3.610 3.427 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.390 -2.597 3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.616 -4.525 1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.555 -1.482 0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.610 -3.913 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.541 -0.862 -1.185 1.00 0.00 H new ATOM 0 HH TYR A 79 7.156 -1.729 -2.886 1.00 0.00 H new ATOM 1322 N GLU A 80 10.661 -5.434 4.686 1.00 0.00 N ATOM 1323 CA GLU A 80 11.739 -5.582 5.657 1.00 0.00 C ATOM 1324 C GLU A 80 12.959 -6.215 4.990 1.00 0.00 C ATOM 1325 O GLU A 80 14.096 -5.984 5.392 1.00 0.00 O ATOM 1326 CB GLU A 80 11.287 -6.437 6.841 1.00 0.00 C ATOM 1327 CG GLU A 80 10.101 -5.857 7.590 1.00 0.00 C ATOM 1328 CD GLU A 80 9.749 -6.664 8.819 1.00 0.00 C ATOM 1329 OE1 GLU A 80 9.231 -7.790 8.668 1.00 0.00 O ATOM 1330 OE2 GLU A 80 9.996 -6.179 9.943 1.00 0.00 O ATOM 0 H GLU A 80 9.829 -5.990 4.885 1.00 0.00 H new ATOM 0 HA GLU A 80 12.007 -4.593 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.028 -7.433 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.121 -6.555 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.325 -4.831 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.238 -5.817 6.925 1.00 0.00 H new ATOM 1337 N MET A 81 12.705 -7.012 3.962 1.00 0.00 N ATOM 1338 CA MET A 81 13.771 -7.628 3.185 1.00 0.00 C ATOM 1339 C MET A 81 14.114 -6.765 1.980 1.00 0.00 C ATOM 1340 O MET A 81 15.282 -6.617 1.614 1.00 0.00 O ATOM 1341 CB MET A 81 13.348 -9.012 2.707 1.00 0.00 C ATOM 1342 CG MET A 81 13.256 -10.051 3.809 1.00 0.00 C ATOM 1343 SD MET A 81 12.650 -11.634 3.193 1.00 0.00 S ATOM 1344 CE MET A 81 13.708 -11.841 1.765 1.00 0.00 C ATOM 0 H MET A 81 11.765 -7.248 3.645 1.00 0.00 H new ATOM 0 HA MET A 81 14.649 -7.720 3.825 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.378 -8.933 2.216 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.059 -9.357 1.956 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.238 -10.189 4.260 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.592 -9.689 4.594 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.742 -12.894 1.487 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.314 -11.258 0.932 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.714 -11.496 2.005 1.00 0.00 H new ATOM 1354 N ALA A 82 13.080 -6.206 1.361 1.00 0.00 N ATOM 1355 CA ALA A 82 13.246 -5.370 0.181 1.00 0.00 C ATOM 1356 C ALA A 82 14.055 -4.120 0.503 1.00 0.00 C ATOM 1357 O ALA A 82 14.902 -3.699 -0.285 1.00 0.00 O ATOM 1358 CB ALA A 82 11.891 -4.998 -0.394 1.00 0.00 C ATOM 0 H ALA A 82 12.112 -6.319 1.661 1.00 0.00 H new ATOM 0 HA ALA A 82 13.798 -5.940 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.029 -4.373 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.353 -5.904 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.317 -4.450 0.353 1.00 0.00 H new ATOM 1364 N LEU A 83 13.793 -3.537 1.663 1.00 0.00 N ATOM 1365 CA LEU A 83 14.551 -2.387 2.129 1.00 0.00 C ATOM 1366 C LEU A 83 15.753 -2.868 2.931 1.00 0.00 C ATOM 1367 O LEU A 83 15.621 -3.726 3.807 1.00 0.00 O ATOM 1368 CB LEU A 83 13.663 -1.474 2.979 1.00 0.00 C ATOM 1369 CG LEU A 83 12.413 -0.948 2.266 1.00 0.00 C ATOM 1370 CD1 LEU A 83 11.497 -0.228 3.240 1.00 0.00 C ATOM 1371 CD2 LEU A 83 12.802 -0.024 1.123 1.00 0.00 C ATOM 0 H LEU A 83 13.058 -3.843 2.301 1.00 0.00 H new ATOM 0 HA LEU A 83 14.902 -1.812 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 83 13.353 -2.019 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 83 14.257 -0.624 3.316 1.00 0.00 H new ATOM 0 HG LEU A 83 11.872 -1.801 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.617 0.136 2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.188 -0.917 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.028 0.614 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.902 0.340 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.368 0.821 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 83 13.415 -0.570 0.406 1.00 0.00 H new ATOM 1383 N ALA A 84 16.919 -2.322 2.629 1.00 0.00 N ATOM 1384 CA ALA A 84 18.163 -2.793 3.222 1.00 0.00 C ATOM 1385 C ALA A 84 18.477 -2.077 4.528 1.00 0.00 C ATOM 1386 O ALA A 84 17.670 -1.299 5.034 1.00 0.00 O ATOM 1387 CB ALA A 84 19.301 -2.614 2.236 1.00 0.00 C ATOM 0 H ALA A 84 17.032 -1.549 1.974 1.00 0.00 H new ATOM 0 HA ALA A 84 18.044 -3.851 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.230 -2.968 2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.093 -3.187 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 84 19.400 -1.559 1.982 1.00 0.00 H new ATOM 1393 N THR A 85 19.661 -2.354 5.063 1.00 0.00 N ATOM 1394 CA THR A 85 20.111 -1.770 6.316 1.00 0.00 C ATOM 1395 C THR A 85 20.573 -0.330 6.112 1.00 0.00 C ATOM 1396 O THR A 85 20.942 0.367 7.062 1.00 0.00 O ATOM 1397 CB THR A 85 21.269 -2.599 6.895 1.00 0.00 C ATOM 1398 OG1 THR A 85 21.343 -3.858 6.211 1.00 0.00 O ATOM 1399 CG2 THR A 85 21.065 -2.845 8.375 1.00 0.00 C ATOM 0 H THR A 85 20.335 -2.991 4.638 1.00 0.00 H new ATOM 0 HA THR A 85 19.272 -1.773 7.012 1.00 0.00 H new ATOM 0 HB THR A 85 22.197 -2.044 6.757 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.082 -4.387 6.578 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.896 -3.433 8.764 1.00 0.00 H new ATOM 0 HG22 THR A 85 21.019 -1.891 8.900 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.133 -3.388 8.528 1.00 0.00 H new ATOM 1407 N ASP A 86 20.557 0.099 4.861 1.00 0.00 N ATOM 1408 CA ASP A 86 20.936 1.452 4.493 1.00 0.00 C ATOM 1409 C ASP A 86 19.690 2.241 4.104 1.00 0.00 C ATOM 1410 O ASP A 86 18.659 1.647 3.788 1.00 0.00 O ATOM 1411 CB ASP A 86 21.946 1.410 3.337 1.00 0.00 C ATOM 1412 CG ASP A 86 22.352 2.783 2.833 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.588 3.687 3.663 1.00 0.00 O ATOM 1414 OD2 ASP A 86 22.449 2.961 1.600 1.00 0.00 O ATOM 0 H ASP A 86 20.280 -0.483 4.070 1.00 0.00 H new ATOM 0 HA ASP A 86 21.408 1.948 5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 86 22.837 0.874 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.517 0.842 2.512 1.00 0.00 H new ATOM 1419 N HIS A 87 19.794 3.568 4.148 1.00 0.00 N ATOM 1420 CA HIS A 87 18.684 4.468 3.816 1.00 0.00 C ATOM 1421 C HIS A 87 17.628 4.454 4.927 1.00 0.00 C ATOM 1422 O HIS A 87 16.668 3.682 4.881 1.00 0.00 O ATOM 1423 CB HIS A 87 18.055 4.092 2.464 1.00 0.00 C ATOM 1424 CG HIS A 87 17.661 5.267 1.623 1.00 0.00 C ATOM 1425 ND1 HIS A 87 18.504 5.837 0.700 1.00 0.00 N ATOM 1426 CD2 HIS A 87 16.510 5.975 1.563 1.00 0.00 C ATOM 1427 CE1 HIS A 87 17.893 6.844 0.108 1.00 0.00 C ATOM 1428 NE2 HIS A 87 16.679 6.952 0.613 1.00 0.00 N ATOM 0 H HIS A 87 20.651 4.053 4.415 1.00 0.00 H new ATOM 0 HA HIS A 87 19.082 5.479 3.732 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.762 3.480 1.905 1.00 0.00 H new ATOM 0 HB3 HIS A 87 17.174 3.477 2.644 1.00 0.00 H new ATOM 0 HD2 HIS A 87 15.622 5.804 2.153 1.00 0.00 H new ATOM 0 HE1 HIS A 87 18.315 7.474 -0.661 1.00 0.00 H new ATOM 0 HE2 HIS A 87 15.982 7.646 0.343 1.00 0.00 H new ATOM 1437 N PRO A 88 17.799 5.326 5.939 1.00 0.00 N ATOM 1438 CA PRO A 88 16.937 5.369 7.139 1.00 0.00 C ATOM 1439 C PRO A 88 15.481 5.724 6.834 1.00 0.00 C ATOM 1440 O PRO A 88 14.595 5.533 7.668 1.00 0.00 O ATOM 1441 CB PRO A 88 17.573 6.467 8.001 1.00 0.00 C ATOM 1442 CG PRO A 88 18.370 7.291 7.051 1.00 0.00 C ATOM 1443 CD PRO A 88 18.865 6.341 6.000 1.00 0.00 C ATOM 0 HA PRO A 88 16.888 4.391 7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 88 16.812 7.066 8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 88 18.205 6.041 8.780 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.760 8.079 6.610 1.00 0.00 H new ATOM 0 HG3 PRO A 88 19.201 7.779 7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 88 19.004 6.838 5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 88 19.825 5.902 6.273 1.00 0.00 H new ATOM 1451 N GLN A 89 15.236 6.221 5.629 1.00 0.00 N ATOM 1452 CA GLN A 89 13.889 6.602 5.211 1.00 0.00 C ATOM 1453 C GLN A 89 12.990 5.374 5.056 1.00 0.00 C ATOM 1454 O GLN A 89 11.791 5.499 4.810 1.00 0.00 O ATOM 1455 CB GLN A 89 13.938 7.376 3.895 1.00 0.00 C ATOM 1456 CG GLN A 89 14.693 8.693 3.985 1.00 0.00 C ATOM 1457 CD GLN A 89 14.782 9.395 2.645 1.00 0.00 C ATOM 1458 OE1 GLN A 89 14.802 8.751 1.598 1.00 0.00 O ATOM 1459 NE2 GLN A 89 14.837 10.718 2.664 1.00 0.00 N ATOM 0 H GLN A 89 15.954 6.371 4.920 1.00 0.00 H new ATOM 0 HA GLN A 89 13.469 7.241 5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.406 6.751 3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.919 7.574 3.563 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.197 9.346 4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.698 8.508 4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.818 11.217 3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.898 11.238 1.789 1.00 0.00 H new ATOM 1468 N ARG A 90 13.579 4.191 5.205 1.00 0.00 N ATOM 1469 CA ARG A 90 12.837 2.940 5.108 1.00 0.00 C ATOM 1470 C ARG A 90 11.747 2.866 6.181 1.00 0.00 C ATOM 1471 O ARG A 90 10.680 2.291 5.956 1.00 0.00 O ATOM 1472 CB ARG A 90 13.787 1.743 5.250 1.00 0.00 C ATOM 1473 CG ARG A 90 14.340 1.556 6.656 1.00 0.00 C ATOM 1474 CD ARG A 90 15.187 0.302 6.763 1.00 0.00 C ATOM 1475 NE ARG A 90 15.434 -0.072 8.156 1.00 0.00 N ATOM 1476 CZ ARG A 90 16.240 -1.065 8.524 1.00 0.00 C ATOM 1477 NH1 ARG A 90 16.932 -1.730 7.610 1.00 0.00 N ATOM 1478 NH2 ARG A 90 16.364 -1.390 9.803 1.00 0.00 N ATOM 0 H ARG A 90 14.574 4.074 5.395 1.00 0.00 H new ATOM 0 HA ARG A 90 12.362 2.906 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.259 0.836 4.954 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.619 1.868 4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.939 2.424 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.516 1.500 7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.686 -0.519 6.250 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.138 0.462 6.256 1.00 0.00 H new ATOM 0 HE ARG A 90 14.961 0.459 8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.847 -1.481 6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.550 -2.491 7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.840 -0.878 10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.984 -2.152 10.078 1.00 0.00 H new ATOM 1492 N ALA A 91 12.017 3.475 7.335 1.00 0.00 N ATOM 1493 CA ALA A 91 11.109 3.418 8.476 1.00 0.00 C ATOM 1494 C ALA A 91 9.781 4.103 8.170 1.00 0.00 C ATOM 1495 O ALA A 91 8.740 3.734 8.717 1.00 0.00 O ATOM 1496 CB ALA A 91 11.764 4.051 9.694 1.00 0.00 C ATOM 0 H ALA A 91 12.864 4.017 7.503 1.00 0.00 H new ATOM 0 HA ALA A 91 10.898 2.370 8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.079 4.004 10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.679 3.511 9.937 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.004 5.092 9.478 1.00 0.00 H new ATOM 1502 N LEU A 92 9.827 5.096 7.291 1.00 0.00 N ATOM 1503 CA LEU A 92 8.636 5.838 6.906 1.00 0.00 C ATOM 1504 C LEU A 92 7.669 4.923 6.170 1.00 0.00 C ATOM 1505 O LEU A 92 6.495 4.805 6.529 1.00 0.00 O ATOM 1506 CB LEU A 92 9.021 7.012 6.001 1.00 0.00 C ATOM 1507 CG LEU A 92 10.089 7.948 6.570 1.00 0.00 C ATOM 1508 CD1 LEU A 92 10.488 8.985 5.536 1.00 0.00 C ATOM 1509 CD2 LEU A 92 9.587 8.621 7.838 1.00 0.00 C ATOM 0 H LEU A 92 10.682 5.406 6.830 1.00 0.00 H new ATOM 0 HA LEU A 92 8.154 6.221 7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.377 6.616 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.125 7.595 5.788 1.00 0.00 H new ATOM 0 HG LEU A 92 10.969 7.357 6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.248 9.643 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.888 8.484 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.614 9.573 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.360 9.283 8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.692 9.201 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.349 7.862 8.583 1.00 0.00 H new ATOM 1521 N ILE A 93 8.192 4.256 5.151 1.00 0.00 N ATOM 1522 CA ILE A 93 7.400 3.363 4.325 1.00 0.00 C ATOM 1523 C ILE A 93 6.889 2.182 5.148 1.00 0.00 C ATOM 1524 O ILE A 93 5.714 1.828 5.074 1.00 0.00 O ATOM 1525 CB ILE A 93 8.229 2.842 3.132 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.872 4.014 2.380 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.357 2.019 2.194 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.808 3.588 1.267 1.00 0.00 C ATOM 0 H ILE A 93 9.172 4.320 4.876 1.00 0.00 H new ATOM 0 HA ILE A 93 6.549 3.927 3.944 1.00 0.00 H new ATOM 0 HB ILE A 93 9.021 2.198 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.084 4.640 1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.424 4.630 3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.959 1.660 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.943 1.168 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.544 2.639 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.223 4.472 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.618 2.988 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.257 2.998 0.535 1.00 0.00 H new ATOM 1540 N LEU A 94 7.778 1.598 5.949 1.00 0.00 N ATOM 1541 CA LEU A 94 7.436 0.436 6.765 1.00 0.00 C ATOM 1542 C LEU A 94 6.258 0.723 7.693 1.00 0.00 C ATOM 1543 O LEU A 94 5.294 -0.037 7.723 1.00 0.00 O ATOM 1544 CB LEU A 94 8.646 -0.017 7.587 1.00 0.00 C ATOM 1545 CG LEU A 94 9.792 -0.627 6.776 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.961 -0.970 7.684 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.315 -1.862 6.026 1.00 0.00 C ATOM 0 H LEU A 94 8.743 1.912 6.050 1.00 0.00 H new ATOM 0 HA LEU A 94 7.142 -0.363 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.030 0.839 8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.312 -0.749 8.322 1.00 0.00 H new ATOM 0 HG LEU A 94 10.129 0.108 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.767 -1.403 7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.318 -0.065 8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.638 -1.689 8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.142 -2.283 5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.952 -2.603 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.508 -1.586 5.347 1.00 0.00 H new ATOM 1559 N ALA A 95 6.333 1.827 8.430 1.00 0.00 N ATOM 1560 CA ALA A 95 5.287 2.182 9.387 1.00 0.00 C ATOM 1561 C ALA A 95 3.936 2.352 8.697 1.00 0.00 C ATOM 1562 O ALA A 95 2.905 1.878 9.189 1.00 0.00 O ATOM 1563 CB ALA A 95 5.662 3.454 10.136 1.00 0.00 C ATOM 0 H ALA A 95 7.106 2.491 8.384 1.00 0.00 H new ATOM 0 HA ALA A 95 5.198 1.364 10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.873 3.705 10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.597 3.297 10.674 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.785 4.272 9.426 1.00 0.00 H new ATOM 1569 N GLU A 96 3.948 3.014 7.548 1.00 0.00 N ATOM 1570 CA GLU A 96 2.723 3.254 6.796 1.00 0.00 C ATOM 1571 C GLU A 96 2.156 1.932 6.279 1.00 0.00 C ATOM 1572 O GLU A 96 0.942 1.723 6.269 1.00 0.00 O ATOM 1573 CB GLU A 96 2.994 4.206 5.630 1.00 0.00 C ATOM 1574 CG GLU A 96 1.758 4.946 5.146 1.00 0.00 C ATOM 1575 CD GLU A 96 1.155 5.821 6.225 1.00 0.00 C ATOM 1576 OE1 GLU A 96 1.920 6.498 6.946 1.00 0.00 O ATOM 1577 OE2 GLU A 96 -0.081 5.809 6.392 1.00 0.00 O ATOM 0 H GLU A 96 4.791 3.394 7.117 1.00 0.00 H new ATOM 0 HA GLU A 96 1.990 3.715 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.747 4.934 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.416 3.639 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.019 5.562 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.014 4.225 4.808 1.00 0.00 H new ATOM 1584 N LEU A 97 3.047 1.033 5.868 1.00 0.00 N ATOM 1585 CA LEU A 97 2.644 -0.279 5.380 1.00 0.00 C ATOM 1586 C LEU A 97 2.054 -1.122 6.504 1.00 0.00 C ATOM 1587 O LEU A 97 1.084 -1.845 6.297 1.00 0.00 O ATOM 1588 CB LEU A 97 3.829 -1.013 4.750 1.00 0.00 C ATOM 1589 CG LEU A 97 4.416 -0.353 3.502 1.00 0.00 C ATOM 1590 CD1 LEU A 97 5.609 -1.147 2.997 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.360 -0.223 2.413 1.00 0.00 C ATOM 0 H LEU A 97 4.055 1.192 5.864 1.00 0.00 H new ATOM 0 HA LEU A 97 1.879 -0.127 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.617 -1.105 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.514 -2.024 4.492 1.00 0.00 H new ATOM 0 HG LEU A 97 4.753 0.649 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.017 -0.665 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.374 -1.186 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.293 -2.160 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.800 0.249 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.989 -1.213 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.534 0.388 2.778 1.00 0.00 H new ATOM 1603 N GLU A 98 2.637 -1.015 7.695 1.00 0.00 N ATOM 1604 CA GLU A 98 2.135 -1.739 8.859 1.00 0.00 C ATOM 1605 C GLU A 98 0.682 -1.375 9.134 1.00 0.00 C ATOM 1606 O GLU A 98 -0.122 -2.232 9.505 1.00 0.00 O ATOM 1607 CB GLU A 98 2.986 -1.450 10.094 1.00 0.00 C ATOM 1608 CG GLU A 98 4.407 -1.971 9.992 1.00 0.00 C ATOM 1609 CD GLU A 98 5.191 -1.762 11.268 1.00 0.00 C ATOM 1610 OE1 GLU A 98 5.751 -0.663 11.459 1.00 0.00 O ATOM 1611 OE2 GLU A 98 5.247 -2.699 12.096 1.00 0.00 O ATOM 0 H GLU A 98 3.456 -0.435 7.879 1.00 0.00 H new ATOM 0 HA GLU A 98 2.196 -2.805 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.015 -0.373 10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.507 -1.895 10.966 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.385 -3.034 9.752 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.917 -1.469 9.169 1.00 0.00 H new ATOM 1618 N LYS A 99 0.348 -0.104 8.952 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.032 0.347 9.092 1.00 0.00 C ATOM 1620 C LYS A 99 -1.923 -0.280 8.025 1.00 0.00 C ATOM 1621 O LYS A 99 -3.053 -0.678 8.304 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.110 1.870 9.010 1.00 0.00 C ATOM 1623 CG LYS A 99 -0.844 2.566 10.333 1.00 0.00 C ATOM 1624 CD LYS A 99 -0.805 4.078 10.173 1.00 0.00 C ATOM 1625 CE LYS A 99 0.376 4.518 9.326 1.00 0.00 C ATOM 1626 NZ LYS A 99 0.398 5.991 9.120 1.00 0.00 N ATOM 0 H LYS A 99 1.011 0.632 8.708 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.390 0.028 10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.389 2.223 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.099 2.156 8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.620 2.295 11.049 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.104 2.218 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -1.732 4.420 9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.745 4.547 11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.303 4.206 9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.334 4.018 8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.264 6.257 8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.433 6.276 8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.379 6.471 10.042 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.397 -0.375 6.811 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.129 -0.959 5.692 1.00 0.00 C ATOM 1642 C LEU A 100 -2.387 -2.446 5.930 1.00 0.00 C ATOM 1643 O LEU A 100 -3.534 -2.906 5.891 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.342 -0.759 4.391 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.021 -1.284 3.124 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.313 -0.529 2.858 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.081 -1.175 1.933 1.00 0.00 C ATOM 0 H LEU A 100 -0.459 -0.053 6.574 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.092 -0.455 5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.148 0.306 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.374 -1.249 4.493 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.265 -2.336 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.781 -0.917 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.991 -0.659 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.095 0.531 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.580 -1.553 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.806 -0.131 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.183 -1.763 2.123 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.316 -3.187 6.196 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.405 -4.628 6.437 1.00 0.00 C ATOM 1661 C ASP A 101 -2.352 -4.923 7.595 1.00 0.00 C ATOM 1662 O ASP A 101 -3.075 -5.919 7.583 1.00 0.00 O ATOM 1663 CB ASP A 101 -0.026 -5.221 6.749 1.00 0.00 C ATOM 1664 CG ASP A 101 0.965 -5.094 5.606 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.541 -5.040 4.435 1.00 0.00 O ATOM 1666 OD2 ASP A 101 2.184 -5.079 5.879 1.00 0.00 O ATOM 0 H ASP A 101 -0.369 -2.812 6.251 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.791 -5.088 5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.382 -4.725 7.629 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.142 -6.275 7.002 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.349 -4.043 8.591 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.222 -4.191 9.746 1.00 0.00 C ATOM 1673 C ALA A 102 -4.688 -4.098 9.336 1.00 0.00 C ATOM 1674 O ALA A 102 -5.544 -4.751 9.926 1.00 0.00 O ATOM 1675 CB ALA A 102 -2.903 -3.138 10.795 1.00 0.00 C ATOM 0 H ALA A 102 -1.749 -3.218 8.620 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.047 -5.177 10.175 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.566 -3.265 11.651 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.868 -3.248 11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.046 -2.145 10.369 1.00 0.00 H new ATOM 1681 N LEU A 103 -4.968 -3.301 8.312 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.335 -3.113 7.841 1.00 0.00 C ATOM 1683 C LEU A 103 -6.816 -4.331 7.066 1.00 0.00 C ATOM 1684 O LEU A 103 -8.012 -4.611 7.020 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.436 -1.861 6.970 1.00 0.00 C ATOM 1686 CG LEU A 103 -6.101 -0.551 7.683 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -6.138 0.605 6.706 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.059 -0.302 8.838 1.00 0.00 C ATOM 0 H LEU A 103 -4.267 -2.774 7.792 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.976 -2.986 8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.767 -1.975 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.449 -1.793 6.573 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.093 -0.632 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.897 1.531 7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.409 0.435 5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.135 0.682 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.800 0.636 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.079 -0.243 8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.985 -1.120 9.555 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.884 -5.046 6.448 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.219 -6.296 5.769 1.00 0.00 C ATOM 1702 C PHE A 104 -6.605 -7.370 6.779 1.00 0.00 C ATOM 1703 O PHE A 104 -7.395 -8.264 6.477 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.056 -6.782 4.898 1.00 0.00 C ATOM 1705 CG PHE A 104 -4.889 -5.988 3.635 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -4.098 -4.853 3.614 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -5.533 -6.373 2.469 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -3.950 -4.116 2.456 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -5.389 -5.639 1.308 1.00 0.00 C ATOM 1710 CZ PHE A 104 -4.595 -4.508 1.300 1.00 0.00 C ATOM 0 H PHE A 104 -4.899 -4.787 6.402 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.073 -6.102 5.120 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.133 -6.732 5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.215 -7.829 4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.590 -4.540 4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.154 -7.257 2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.329 -3.232 2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.897 -5.949 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.479 -3.933 0.393 1.00 0.00 H new ATOM 1720 N ALA A 105 -6.051 -7.274 7.980 1.00 0.00 N ATOM 1721 CA ALA A 105 -6.364 -8.225 9.040 1.00 0.00 C ATOM 1722 C ALA A 105 -7.598 -7.783 9.822 1.00 0.00 C ATOM 1723 O ALA A 105 -8.429 -8.606 10.213 1.00 0.00 O ATOM 1724 CB ALA A 105 -5.176 -8.390 9.975 1.00 0.00 C ATOM 0 H ALA A 105 -5.384 -6.549 8.245 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.581 -9.188 8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.427 -9.103 10.760 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.318 -8.757 9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.930 -7.428 10.424 1.00 0.00 H new ATOM 1730 N ASP A 106 -7.710 -6.483 10.053 1.00 0.00 N ATOM 1731 CA ASP A 106 -8.848 -5.934 10.780 1.00 0.00 C ATOM 1732 C ASP A 106 -9.942 -5.511 9.810 1.00 0.00 C ATOM 1733 O ASP A 106 -10.015 -4.355 9.390 1.00 0.00 O ATOM 1734 CB ASP A 106 -8.425 -4.748 11.657 1.00 0.00 C ATOM 1735 CG ASP A 106 -9.560 -4.217 12.518 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -10.090 -4.986 13.354 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -9.911 -3.025 12.383 1.00 0.00 O ATOM 0 H ASP A 106 -7.028 -5.788 9.748 1.00 0.00 H new ATOM 0 HA ASP A 106 -9.239 -6.714 11.433 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.600 -5.054 12.300 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.052 -3.946 11.020 1.00 0.00 H new ATOM 1742 N ASP A 107 -10.783 -6.466 9.445 1.00 0.00 N ATOM 1743 CA ASP A 107 -11.884 -6.218 8.521 1.00 0.00 C ATOM 1744 C ASP A 107 -13.128 -5.781 9.275 1.00 0.00 C ATOM 1745 O ASP A 107 -14.240 -5.807 8.745 1.00 0.00 O ATOM 1746 CB ASP A 107 -12.187 -7.475 7.701 1.00 0.00 C ATOM 1747 CG ASP A 107 -12.750 -8.606 8.545 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -11.982 -9.227 9.311 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -13.963 -8.890 8.444 1.00 0.00 O ATOM 0 H ASP A 107 -10.725 -7.429 9.777 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.586 -5.417 7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.898 -7.227 6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.274 -7.813 7.211 1.00 0.00 H new ATOM 1754 N ALA A 108 -12.921 -5.341 10.496 1.00 0.00 N ATOM 1755 CA ALA A 108 -14.017 -4.980 11.372 1.00 0.00 C ATOM 1756 C ALA A 108 -14.514 -3.571 11.082 1.00 0.00 C ATOM 1757 O ALA A 108 -13.919 -2.585 11.519 1.00 0.00 O ATOM 1758 CB ALA A 108 -13.593 -5.106 12.827 1.00 0.00 C ATOM 0 H ALA A 108 -11.996 -5.223 10.909 1.00 0.00 H new ATOM 0 HA ALA A 108 -14.840 -5.670 11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -14.426 -4.832 13.474 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -13.298 -6.135 13.032 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -12.750 -4.442 13.019 1.00 0.00 H new ATOM 1764 N SER A 109 -15.594 -3.479 10.316 1.00 0.00 N ATOM 1765 CA SER A 109 -16.241 -2.203 10.075 1.00 0.00 C ATOM 1766 C SER A 109 -16.908 -1.722 11.360 1.00 0.00 C ATOM 1767 O SER A 109 -18.009 -2.160 11.706 1.00 0.00 O ATOM 1768 CB SER A 109 -17.267 -2.328 8.948 1.00 0.00 C ATOM 1769 OG SER A 109 -16.666 -2.841 7.769 1.00 0.00 O ATOM 0 H SER A 109 -16.037 -4.273 9.854 1.00 0.00 H new ATOM 0 HA SER A 109 -15.492 -1.473 9.768 1.00 0.00 H new ATOM 0 HB2 SER A 109 -18.079 -2.984 9.262 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.707 -1.352 8.742 1.00 0.00 H new ATOM 0 HG SER A 109 -15.696 -2.900 7.895 1.00 0.00 H new ATOM 1775 N LEU A 110 -16.218 -0.859 12.086 1.00 0.00 N ATOM 1776 CA LEU A 110 -16.685 -0.405 13.381 1.00 0.00 C ATOM 1777 C LEU A 110 -17.674 0.745 13.241 1.00 0.00 C ATOM 1778 O LEU A 110 -17.330 1.827 12.763 1.00 0.00 O ATOM 1779 CB LEU A 110 -15.502 0.021 14.255 1.00 0.00 C ATOM 1780 CG LEU A 110 -15.869 0.483 15.667 1.00 0.00 C ATOM 1781 CD1 LEU A 110 -16.616 -0.613 16.413 1.00 0.00 C ATOM 1782 CD2 LEU A 110 -14.620 0.890 16.433 1.00 0.00 C ATOM 0 H LEU A 110 -15.326 -0.457 11.796 1.00 0.00 H new ATOM 0 HA LEU A 110 -17.200 -1.238 13.860 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -14.808 -0.816 14.333 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -14.971 0.829 13.752 1.00 0.00 H new ATOM 0 HG LEU A 110 -16.524 1.350 15.585 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -16.868 -0.265 17.415 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -17.531 -0.861 15.875 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -15.985 -1.499 16.485 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -14.898 1.216 17.435 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -13.943 0.039 16.503 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -14.123 1.707 15.910 1.00 0.00 H new ATOM 1794 N GLU A 111 -18.905 0.492 13.649 1.00 0.00 N ATOM 1795 CA GLU A 111 -19.923 1.522 13.684 1.00 0.00 C ATOM 1796 C GLU A 111 -19.744 2.381 14.928 1.00 0.00 C ATOM 1797 O GLU A 111 -19.039 1.996 15.862 1.00 0.00 O ATOM 1798 CB GLU A 111 -21.310 0.888 13.684 1.00 0.00 C ATOM 1799 CG GLU A 111 -21.618 0.093 12.427 1.00 0.00 C ATOM 1800 CD GLU A 111 -22.962 -0.594 12.506 1.00 0.00 C ATOM 1801 OE1 GLU A 111 -23.992 0.107 12.442 1.00 0.00 O ATOM 1802 OE2 GLU A 111 -22.992 -1.834 12.660 1.00 0.00 O ATOM 0 H GLU A 111 -19.223 -0.425 13.962 1.00 0.00 H new ATOM 0 HA GLU A 111 -19.823 2.150 12.799 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -21.400 0.232 14.550 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -22.058 1.672 13.800 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -21.601 0.759 11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -20.839 -0.653 12.270 1.00 0.00 H new ATOM 1809 N HIS A 112 -20.391 3.533 14.950 1.00 0.00 N ATOM 1810 CA HIS A 112 -20.280 4.436 16.086 1.00 0.00 C ATOM 1811 C HIS A 112 -21.184 3.968 17.216 1.00 0.00 C ATOM 1812 O HIS A 112 -20.881 4.172 18.393 1.00 0.00 O ATOM 1813 CB HIS A 112 -20.631 5.873 15.678 1.00 0.00 C ATOM 1814 CG HIS A 112 -19.695 6.455 14.661 1.00 0.00 C ATOM 1815 ND1 HIS A 112 -20.065 7.439 13.771 1.00 0.00 N ATOM 1816 CD2 HIS A 112 -18.392 6.189 14.402 1.00 0.00 C ATOM 1817 CE1 HIS A 112 -19.032 7.752 13.010 1.00 0.00 C ATOM 1818 NE2 HIS A 112 -18.004 7.009 13.372 1.00 0.00 N ATOM 0 H HIS A 112 -20.996 3.866 14.199 1.00 0.00 H new ATOM 0 HA HIS A 112 -19.247 4.426 16.434 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -21.645 5.891 15.278 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -20.627 6.505 16.566 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -17.773 5.465 14.912 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -19.029 8.492 12.223 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -17.074 7.039 12.955 1.00 0.00 H new ATOM 1827 N HIS A 113 -22.304 3.352 16.836 1.00 0.00 N ATOM 1828 CA HIS A 113 -23.269 2.760 17.775 1.00 0.00 C ATOM 1829 C HIS A 113 -24.052 3.821 18.542 1.00 0.00 C ATOM 1830 O HIS A 113 -25.106 3.533 19.109 1.00 0.00 O ATOM 1831 CB HIS A 113 -22.596 1.784 18.743 1.00 0.00 C ATOM 1832 CG HIS A 113 -22.179 0.499 18.096 1.00 0.00 C ATOM 1833 ND1 HIS A 113 -23.068 -0.501 17.767 1.00 0.00 N ATOM 1834 CD2 HIS A 113 -20.960 0.055 17.707 1.00 0.00 C ATOM 1835 CE1 HIS A 113 -22.415 -1.500 17.207 1.00 0.00 C ATOM 1836 NE2 HIS A 113 -21.134 -1.191 17.156 1.00 0.00 N ATOM 0 H HIS A 113 -22.573 3.247 15.858 1.00 0.00 H new ATOM 0 HA HIS A 113 -23.980 2.198 17.169 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -21.720 2.263 19.180 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -23.281 1.565 19.562 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -20.024 0.583 17.811 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -22.856 -2.419 16.849 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -20.395 -1.780 16.771 1.00 0.00 H new ATOM 1845 N HIS A 114 -23.540 5.040 18.564 1.00 0.00 N ATOM 1846 CA HIS A 114 -24.282 6.155 19.118 1.00 0.00 C ATOM 1847 C HIS A 114 -25.231 6.672 18.052 1.00 0.00 C ATOM 1848 O HIS A 114 -24.797 7.071 16.973 1.00 0.00 O ATOM 1849 CB HIS A 114 -23.346 7.274 19.584 1.00 0.00 C ATOM 1850 CG HIS A 114 -22.429 6.867 20.699 1.00 0.00 C ATOM 1851 ND1 HIS A 114 -22.801 6.882 22.026 1.00 0.00 N ATOM 1852 CD2 HIS A 114 -21.149 6.428 20.676 1.00 0.00 C ATOM 1853 CE1 HIS A 114 -21.792 6.467 22.769 1.00 0.00 C ATOM 1854 NE2 HIS A 114 -20.781 6.186 21.974 1.00 0.00 N ATOM 0 H HIS A 114 -22.616 5.280 18.205 1.00 0.00 H new ATOM 0 HA HIS A 114 -24.839 5.817 19.992 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -22.747 7.611 18.738 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -23.945 8.125 19.910 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -20.533 6.294 19.799 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -21.795 6.374 23.845 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -19.869 5.843 22.276 1.00 0.00 H new ATOM 1863 N HIS A 115 -26.519 6.637 18.343 1.00 0.00 N ATOM 1864 CA HIS A 115 -27.521 7.009 17.359 1.00 0.00 C ATOM 1865 C HIS A 115 -27.523 8.507 17.126 1.00 0.00 C ATOM 1866 O HIS A 115 -27.614 9.297 18.066 1.00 0.00 O ATOM 1867 CB HIS A 115 -28.915 6.539 17.781 1.00 0.00 C ATOM 1868 CG HIS A 115 -29.107 5.058 17.663 1.00 0.00 C ATOM 1869 ND1 HIS A 115 -29.603 4.279 18.681 1.00 0.00 N ATOM 1870 CD2 HIS A 115 -28.876 4.218 16.630 1.00 0.00 C ATOM 1871 CE1 HIS A 115 -29.665 3.024 18.282 1.00 0.00 C ATOM 1872 NE2 HIS A 115 -29.232 2.957 17.038 1.00 0.00 N ATOM 0 H HIS A 115 -26.895 6.356 19.249 1.00 0.00 H new ATOM 0 HA HIS A 115 -27.261 6.512 16.424 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -29.094 6.840 18.813 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -29.661 7.044 17.168 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -28.483 4.489 15.661 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -30.012 2.190 18.875 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -29.172 2.110 16.474 1.00 0.00 H new ATOM 1881 N HIS A 116 -27.403 8.886 15.865 1.00 0.00 N ATOM 1882 CA HIS A 116 -27.452 10.281 15.479 1.00 0.00 C ATOM 1883 C HIS A 116 -28.869 10.796 15.671 1.00 0.00 C ATOM 1884 O HIS A 116 -29.074 11.899 16.178 1.00 0.00 O ATOM 1885 CB HIS A 116 -27.010 10.430 14.019 1.00 0.00 C ATOM 1886 CG HIS A 116 -26.842 11.848 13.570 1.00 0.00 C ATOM 1887 ND1 HIS A 116 -25.633 12.504 13.602 1.00 0.00 N ATOM 1888 CD2 HIS A 116 -27.734 12.729 13.064 1.00 0.00 C ATOM 1889 CE1 HIS A 116 -25.788 13.729 13.136 1.00 0.00 C ATOM 1890 NE2 HIS A 116 -27.054 13.892 12.798 1.00 0.00 N ATOM 0 H HIS A 116 -27.270 8.239 15.087 1.00 0.00 H new ATOM 0 HA HIS A 116 -26.774 10.866 16.101 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -26.066 9.903 13.881 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -27.744 9.942 13.377 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -28.786 12.551 12.899 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -25.010 14.473 13.046 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -27.460 14.741 12.405 1.00 0.00 H new ATOM 1899 N HIS A 117 -29.826 9.967 15.258 1.00 0.00 N ATOM 1900 CA HIS A 117 -31.261 10.204 15.444 1.00 0.00 C ATOM 1901 C HIS A 117 -32.043 9.148 14.682 1.00 0.00 C ATOM 1902 O HIS A 117 -32.464 8.155 15.305 1.00 0.00 O ATOM 1903 CB HIS A 117 -31.700 11.599 14.977 1.00 0.00 C ATOM 1904 CG HIS A 117 -31.896 12.573 16.101 1.00 0.00 C ATOM 1905 ND1 HIS A 117 -32.113 13.917 15.902 1.00 0.00 N ATOM 1906 CD2 HIS A 117 -31.897 12.391 17.442 1.00 0.00 C ATOM 1907 CE1 HIS A 117 -32.236 14.518 17.069 1.00 0.00 C ATOM 1908 NE2 HIS A 117 -32.109 13.615 18.022 1.00 0.00 N ATOM 1909 OXT HIS A 117 -32.196 9.303 13.455 1.00 0.00 O ATOM 0 H HIS A 117 -29.624 9.092 14.774 1.00 0.00 H new ATOM 0 HA HIS A 117 -31.465 10.145 16.513 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -30.952 11.995 14.290 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -32.631 11.510 14.418 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -31.757 11.454 17.960 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -32.411 15.573 17.219 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -32.160 13.797 19.024 1.00 0.00 H new TER 1918 HIS A 117