USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1346 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 49 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 58 MET CE :methyl -114:sc= -0.0198 (180deg=-0.0392) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -8.19! C(o=-8.3!,f=-15!) USER MOD Set 2.2: A 59 TYR OH : rot 74:sc= -0.094 USER MOD Set 3.1: A 22 CYS SG : rot 137:sc= -2.67! USER MOD Set 3.2: A 26 CYS SG : rot -154:sc= -2.38! USER MOD Set 3.3: A 82 CYS SG : rot 29:sc=0.000741 USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= 0.0168 (180deg=0.0012) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.426 USER MOD Single : A 14 ASN : amide:sc= -2.11! C(o=-2.1!,f=-4.6!) USER MOD Single : A 16 GLN :FLIP amide:sc=-0.00846 F(o=-0.56,f=-0.0085) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 67:sc= 0.0411 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -24:sc= 0.342 USER MOD Single : A 36 CYS SG : rot 36:sc= -2.05 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.682 F(o=-4.9!,f=-0.68) USER MOD Single : A 38 SER OG : rot -159:sc= -0.901 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.23) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc=-0.00358 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3!) USER MOD Single : A 81 SER OG : rot -172:sc= -0.678! USER MOD Single : A 86 HIS : no HD1:sc= -0.0729 X(o=-0.073,f=0) USER MOD Single : A 88 SER OG : rot 31:sc= 0.666 USER MOD Single : A 89 SER OG : rot 180:sc= 0.304 USER MOD Single : A 92 GLN : amide:sc= -0.98 X(o=-0.98,f=-0.51) USER MOD Single : A 94 LYS NZ :NH3+ -104:sc= -3.49! (180deg=-6.23!) USER MOD Single : A 96 GLN : amide:sc= -6.98! C(o=-7!,f=-10!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= -0.711 (180deg=-0.711) USER MOD Single : A 104 ASN : amide:sc= -1.44! C(o=-1.4!,f=-6.4!) USER MOD Single : A 106 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.24) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 110:sc= -1.28! USER MOD Single : A 116 SER OG : rot 38:sc= -0.331 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.13) USER MOD Single : A 122 HIS : no HD1:sc= -0.489 X(o=-0.49,f=-0.26) USER MOD Single : A 127 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.0087) USER MOD Single : A 128 SER OG : rot -118:sc= -1.5! USER MOD Single : A 129 CYS SG : rot 45:sc= -1.03 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.1) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.721 X(o=-0.72,f=-0.84) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -158:sc= -0.0821 (180deg=-0.594) USER MOD Single : A 156 TYR OH : rot 0:sc= -0.064 USER MOD Single : A 158 LYS NZ :NH3+ -166:sc=-0.00496 (180deg=-0.182) USER MOD Single : A 166 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 170 GLN : amide:sc= -0.0343 X(o=-0.034,f=-0.084) USER MOD Single : A 171 SER OG : rot -130:sc= -0.535 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 13.780 -11.765 1.533 1.00 0.01 N ATOM 58 CA GLY A 5 13.614 -10.771 0.434 1.00 0.01 C ATOM 59 C GLY A 5 14.757 -9.758 0.490 1.00 0.01 C ATOM 60 O GLY A 5 15.385 -9.578 1.514 1.00 0.01 O ATOM 0 HA2 GLY A 5 13.609 -11.277 -0.531 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.656 -10.261 0.532 1.00 0.01 H new ATOM 64 N LYS A 6 15.040 -9.097 -0.601 1.00 0.00 N ATOM 65 CA LYS A 6 16.154 -8.098 -0.602 1.00 0.01 C ATOM 66 C LYS A 6 15.846 -6.961 -1.573 1.00 0.01 C ATOM 67 O LYS A 6 15.396 -7.177 -2.689 1.00 0.00 O ATOM 68 CB LYS A 6 17.473 -8.771 -0.997 1.00 0.02 C ATOM 69 CG LYS A 6 18.576 -7.716 -1.129 1.00 0.02 C ATOM 70 CD LYS A 6 19.945 -8.401 -1.137 1.00 0.02 C ATOM 71 CE LYS A 6 20.074 -9.283 -2.382 1.00 0.02 C ATOM 72 NZ LYS A 6 21.504 -9.648 -2.590 1.00 0.02 N ATOM 0 H LYS A 6 14.551 -9.203 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 6 16.250 -7.690 0.404 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.753 -9.511 -0.247 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.352 -9.303 -1.940 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.439 -7.145 -2.047 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.517 -7.009 -0.302 1.00 0.02 H new ATOM 0 HD2 LYS A 6 20.737 -7.652 -1.126 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.065 -9.005 -0.238 1.00 0.02 H new ATOM 0 HE2 LYS A 6 19.471 -10.184 -2.266 1.00 0.02 H new ATOM 0 HE3 LYS A 6 19.692 -8.755 -3.256 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 21.634 -10.007 -3.558 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 22.101 -8.808 -2.449 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 21.777 -10.385 -1.908 1.00 0.02 H new ATOM 86 N ILE A 7 16.107 -5.748 -1.140 1.00 0.02 N ATOM 87 CA ILE A 7 15.865 -4.543 -1.993 1.00 0.00 C ATOM 88 C ILE A 7 17.123 -3.659 -1.984 1.00 0.02 C ATOM 89 O ILE A 7 17.768 -3.495 -0.966 1.00 0.01 O ATOM 90 CB ILE A 7 14.649 -3.787 -1.452 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.366 -2.558 -2.313 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.917 -3.343 -0.020 1.00 0.01 C ATOM 93 CD1 ILE A 7 12.998 -1.985 -1.934 1.00 0.02 C ATOM 0 H ILE A 7 16.484 -5.542 -0.215 1.00 0.02 H new ATOM 0 HA ILE A 7 15.659 -4.835 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 7 13.784 -4.450 -1.477 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.142 -1.808 -2.164 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.381 -2.827 -3.369 1.00 0.02 H new ATOM 0 HG21 ILE A 7 14.050 -2.805 0.363 1.00 0.01 H new ATOM 0 HG22 ILE A 7 15.105 -4.217 0.603 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.788 -2.688 0.001 1.00 0.01 H new ATOM 0 HD11 ILE A 7 12.789 -1.107 -2.545 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.228 -2.737 -2.105 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.001 -1.702 -0.881 1.00 0.02 H new ATOM 105 N SER A 8 17.476 -3.088 -3.114 1.00 0.02 N ATOM 106 CA SER A 8 18.695 -2.206 -3.187 1.00 0.02 C ATOM 107 C SER A 8 18.305 -0.803 -3.674 1.00 0.01 C ATOM 108 O SER A 8 17.628 -0.646 -4.670 1.00 0.02 O ATOM 109 CB SER A 8 19.726 -2.806 -4.153 1.00 0.30 C ATOM 110 OG SER A 8 19.734 -4.219 -4.006 1.00 0.39 O ATOM 0 H SER A 8 16.972 -3.194 -3.994 1.00 0.02 H new ATOM 0 HA SER A 8 19.130 -2.136 -2.190 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.480 -2.536 -5.180 1.00 0.30 H new ATOM 0 HB3 SER A 8 20.716 -2.401 -3.945 1.00 0.30 H new ATOM 0 HG SER A 8 20.389 -4.608 -4.622 1.00 0.39 H new ATOM 116 N PHE A 9 18.748 0.217 -2.976 1.00 0.02 N ATOM 117 CA PHE A 9 18.440 1.631 -3.375 1.00 0.01 C ATOM 118 C PHE A 9 19.724 2.321 -3.863 1.00 0.01 C ATOM 119 O PHE A 9 20.786 2.129 -3.300 1.00 0.02 O ATOM 120 CB PHE A 9 17.902 2.395 -2.160 1.00 0.02 C ATOM 121 CG PHE A 9 16.898 1.550 -1.417 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.326 0.683 -0.406 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.539 1.642 -1.732 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.393 -0.096 0.290 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.605 0.865 -1.036 1.00 0.02 C ATOM 126 CZ PHE A 9 15.032 -0.004 -0.025 1.00 0.02 C ATOM 0 H PHE A 9 19.318 0.129 -2.135 1.00 0.02 H new ATOM 0 HA PHE A 9 17.698 1.625 -4.173 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.724 2.663 -1.497 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.436 3.326 -2.483 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.376 0.614 -0.162 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.210 2.312 -2.512 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.723 -0.767 1.069 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.555 0.936 -1.279 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.312 -0.603 0.512 1.00 0.02 H new ATOM 136 N TYR A 10 19.637 3.123 -4.903 1.00 0.02 N ATOM 137 CA TYR A 10 20.853 3.831 -5.435 1.00 0.01 C ATOM 138 C TYR A 10 20.610 5.346 -5.429 1.00 0.02 C ATOM 139 O TYR A 10 19.532 5.818 -5.738 1.00 0.01 O ATOM 140 CB TYR A 10 21.122 3.372 -6.871 1.00 0.02 C ATOM 141 CG TYR A 10 21.001 1.867 -6.956 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.739 1.266 -6.909 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.149 1.074 -7.087 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.624 -0.128 -6.991 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.034 -0.318 -7.169 1.00 0.02 C ATOM 146 CZ TYR A 10 20.772 -0.919 -7.122 1.00 0.00 C ATOM 147 OH TYR A 10 20.658 -2.293 -7.200 1.00 0.02 O ATOM 0 H TYR A 10 18.773 3.319 -5.408 1.00 0.02 H new ATOM 0 HA TYR A 10 21.711 3.596 -4.806 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.413 3.843 -7.552 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.119 3.685 -7.182 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.853 1.876 -6.810 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.124 1.538 -7.125 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.650 -0.593 -6.953 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.920 -0.928 -7.269 1.00 0.02 H new ATOM 0 HH TYR A 10 21.549 -2.691 -7.289 1.00 0.02 H new ATOM 157 N GLU A 11 21.598 6.115 -5.044 1.00 0.00 N ATOM 158 CA GLU A 11 21.408 7.593 -4.977 1.00 0.02 C ATOM 159 C GLU A 11 21.271 8.211 -6.370 1.00 0.03 C ATOM 160 O GLU A 11 20.648 9.245 -6.517 1.00 0.03 O ATOM 161 CB GLU A 11 22.608 8.229 -4.274 1.00 0.00 C ATOM 162 CG GLU A 11 22.737 7.652 -2.866 1.00 0.00 C ATOM 163 CD GLU A 11 23.756 8.468 -2.068 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.764 8.845 -2.643 1.00 0.02 O ATOM 165 OE2 GLU A 11 23.512 8.701 -0.895 1.00 0.01 O ATOM 0 H GLU A 11 22.524 5.783 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 11 20.489 7.784 -4.423 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.519 8.038 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.483 9.311 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.769 7.670 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.051 6.609 -2.917 1.00 0.00 H new ATOM 172 N ASP A 12 21.839 7.613 -7.395 1.00 0.02 N ATOM 173 CA ASP A 12 21.723 8.206 -8.769 1.00 0.01 C ATOM 174 C ASP A 12 20.905 7.282 -9.674 1.00 0.02 C ATOM 175 O ASP A 12 20.595 6.159 -9.330 1.00 0.02 O ATOM 176 CB ASP A 12 23.117 8.383 -9.373 1.00 0.01 C ATOM 177 CG ASP A 12 23.020 9.240 -10.636 1.00 0.01 C ATOM 178 OD1 ASP A 12 22.536 10.355 -10.537 1.00 0.03 O ATOM 179 OD2 ASP A 12 23.435 8.767 -11.679 1.00 0.02 O ATOM 0 H ASP A 12 22.374 6.746 -7.340 1.00 0.02 H new ATOM 0 HA ASP A 12 21.226 9.173 -8.691 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.781 8.856 -8.650 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.547 7.411 -9.613 1.00 0.01 H new ATOM 184 N ARG A 13 20.553 7.769 -10.828 1.00 0.02 N ATOM 185 CA ARG A 13 19.746 6.966 -11.790 1.00 0.02 C ATOM 186 C ARG A 13 20.625 5.909 -12.464 1.00 0.00 C ATOM 187 O ARG A 13 21.833 6.030 -12.524 1.00 0.02 O ATOM 188 CB ARG A 13 19.183 7.912 -12.853 1.00 0.00 C ATOM 189 CG ARG A 13 18.060 8.755 -12.245 1.00 0.01 C ATOM 190 CD ARG A 13 17.646 9.846 -13.233 1.00 0.02 C ATOM 191 NE ARG A 13 18.831 10.678 -13.580 1.00 0.03 N ATOM 192 CZ ARG A 13 18.794 11.470 -14.617 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.718 11.532 -15.351 1.00 0.02 N ATOM 194 NH2 ARG A 13 19.833 12.199 -14.918 1.00 0.02 N ATOM 0 H ARG A 13 20.794 8.706 -11.153 1.00 0.02 H new ATOM 0 HA ARG A 13 18.938 6.462 -11.261 1.00 0.02 H new ATOM 0 HB2 ARG A 13 19.973 8.560 -13.233 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.804 7.340 -13.700 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.205 8.122 -12.007 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.394 9.205 -11.310 1.00 0.01 H new ATOM 0 HD2 ARG A 13 17.228 9.396 -14.134 1.00 0.02 H new ATOM 0 HD3 ARG A 13 16.866 10.470 -12.797 1.00 0.02 H new ATOM 0 HE ARG A 13 19.673 10.629 -13.006 1.00 0.03 H new ATOM 0 HH11 ARG A 13 16.906 10.962 -15.115 1.00 0.02 H new ATOM 0 HH12 ARG A 13 17.688 12.151 -16.161 1.00 0.02 H new ATOM 0 HH21 ARG A 13 20.674 12.150 -14.343 1.00 0.02 H new ATOM 0 HH22 ARG A 13 19.804 12.818 -15.728 1.00 0.02 H new ATOM 208 N ASN A 14 20.009 4.877 -12.981 1.00 0.02 N ATOM 209 CA ASN A 14 20.767 3.795 -13.678 1.00 0.02 C ATOM 210 C ASN A 14 21.666 3.033 -12.699 1.00 0.02 C ATOM 211 O ASN A 14 22.721 2.541 -13.046 1.00 0.02 O ATOM 212 CB ASN A 14 21.594 4.415 -14.808 1.00 0.26 C ATOM 213 CG ASN A 14 20.803 5.554 -15.454 1.00 0.12 C ATOM 214 OD1 ASN A 14 20.847 6.676 -14.993 1.00 0.74 O ATOM 215 ND2 ASN A 14 20.076 5.310 -16.510 1.00 0.46 N ATOM 0 H ASN A 14 18.999 4.737 -12.949 1.00 0.02 H new ATOM 0 HA ASN A 14 20.062 3.076 -14.096 1.00 0.02 H new ATOM 0 HB2 ASN A 14 22.539 4.791 -14.417 1.00 0.26 H new ATOM 0 HB3 ASN A 14 21.836 3.658 -15.554 1.00 0.26 H new ATOM 0 HD21 ASN A 14 19.545 6.062 -16.948 1.00 0.46 H new ATOM 0 HD22 ASN A 14 20.039 4.367 -16.897 1.00 0.46 H new ATOM 222 N PHE A 15 21.211 2.906 -11.480 1.00 0.02 N ATOM 223 CA PHE A 15 21.971 2.146 -10.441 1.00 0.02 C ATOM 224 C PHE A 15 23.395 2.691 -10.289 1.00 0.00 C ATOM 225 O PHE A 15 24.343 1.945 -10.150 1.00 0.02 O ATOM 226 CB PHE A 15 22.026 0.661 -10.842 1.00 0.02 C ATOM 227 CG PHE A 15 20.765 0.291 -11.592 1.00 0.02 C ATOM 228 CD1 PHE A 15 19.569 0.091 -10.893 1.00 0.02 C ATOM 229 CD2 PHE A 15 20.794 0.152 -12.984 1.00 0.02 C ATOM 230 CE1 PHE A 15 18.401 -0.247 -11.587 1.00 0.02 C ATOM 231 CE2 PHE A 15 19.627 -0.188 -13.678 1.00 0.02 C ATOM 232 CZ PHE A 15 18.431 -0.387 -12.981 1.00 0.02 C ATOM 0 H PHE A 15 20.330 3.303 -11.154 1.00 0.02 H new ATOM 0 HA PHE A 15 21.461 2.259 -9.484 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.900 0.474 -11.466 1.00 0.02 H new ATOM 0 HB3 PHE A 15 22.129 0.038 -9.954 1.00 0.02 H new ATOM 0 HD1 PHE A 15 19.547 0.197 -9.818 1.00 0.02 H new ATOM 0 HD2 PHE A 15 21.717 0.307 -13.523 1.00 0.02 H new ATOM 0 HE1 PHE A 15 17.477 -0.400 -11.048 1.00 0.02 H new ATOM 0 HE2 PHE A 15 19.650 -0.297 -14.752 1.00 0.02 H new ATOM 0 HZ PHE A 15 17.531 -0.649 -13.517 1.00 0.02 H new ATOM 242 N GLN A 16 23.538 3.990 -10.293 1.00 0.02 N ATOM 243 CA GLN A 16 24.884 4.618 -10.128 1.00 0.02 C ATOM 244 C GLN A 16 24.905 5.365 -8.790 1.00 0.02 C ATOM 245 O GLN A 16 23.875 5.598 -8.185 1.00 0.02 O ATOM 246 CB GLN A 16 25.121 5.612 -11.271 1.00 0.02 C ATOM 247 CG GLN A 16 25.531 4.853 -12.536 1.00 0.00 C ATOM 248 CD GLN A 16 25.650 5.834 -13.703 1.00 0.00 C ATOM 249 OE1 GLN A 16 24.735 6.752 -13.864 1.00 0.02 O flip ATOM 250 NE2 GLN A 16 26.585 5.765 -14.477 1.00 0.02 N flip ATOM 0 H GLN A 16 22.770 4.652 -10.405 1.00 0.02 H new ATOM 0 HA GLN A 16 25.664 3.856 -10.146 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.215 6.189 -11.458 1.00 0.02 H new ATOM 0 HB3 GLN A 16 25.899 6.323 -10.993 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.482 4.345 -12.376 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.794 4.084 -12.767 1.00 0.00 H new ATOM 0 HE21 GLN A 16 27.299 5.048 -14.351 1.00 0.02 H new ATOM 0 HE22 GLN A 16 26.655 6.424 -15.252 1.00 0.02 H new ATOM 259 N GLY A 17 26.064 5.745 -8.316 1.00 0.03 N ATOM 260 CA GLY A 17 26.132 6.479 -7.017 1.00 0.03 C ATOM 261 C GLY A 17 26.257 5.495 -5.848 1.00 0.02 C ATOM 262 O GLY A 17 26.494 4.318 -6.034 1.00 0.02 O ATOM 0 H GLY A 17 26.962 5.580 -8.770 1.00 0.03 H new ATOM 0 HA2 GLY A 17 26.985 7.158 -7.021 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.238 7.090 -6.891 1.00 0.03 H new ATOM 266 N ARG A 18 26.084 5.971 -4.647 1.00 0.00 N ATOM 267 CA ARG A 18 26.174 5.073 -3.459 1.00 0.02 C ATOM 268 C ARG A 18 24.976 4.122 -3.464 1.00 0.02 C ATOM 269 O ARG A 18 23.880 4.491 -3.842 1.00 0.02 O ATOM 270 CB ARG A 18 26.162 5.923 -2.185 1.00 0.79 C ATOM 271 CG ARG A 18 26.649 5.078 -1.006 1.00 1.49 C ATOM 272 CD ARG A 18 26.469 5.864 0.294 1.00 1.42 C ATOM 273 NE ARG A 18 26.935 7.264 0.096 1.00 2.07 N ATOM 274 CZ ARG A 18 26.610 8.189 0.956 1.00 2.35 C ATOM 275 NH1 ARG A 18 25.875 7.887 1.991 1.00 2.53 N ATOM 276 NH2 ARG A 18 27.020 9.416 0.783 1.00 2.76 N ATOM 0 H ARG A 18 25.883 6.948 -4.435 1.00 0.00 H new ATOM 0 HA ARG A 18 27.096 4.493 -3.494 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.803 6.796 -2.311 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.155 6.293 -1.991 1.00 0.79 H new ATOM 0 HG2 ARG A 18 26.090 4.144 -0.959 1.00 1.49 H new ATOM 0 HG3 ARG A 18 27.698 4.815 -1.142 1.00 1.49 H new ATOM 0 HD2 ARG A 18 25.421 5.857 0.593 1.00 1.42 H new ATOM 0 HD3 ARG A 18 27.033 5.392 1.098 1.00 1.42 H new ATOM 0 HE ARG A 18 27.509 7.500 -0.713 1.00 2.07 H new ATOM 0 HH11 ARG A 18 25.555 6.928 2.127 1.00 2.53 H new ATOM 0 HH12 ARG A 18 25.620 8.610 2.664 1.00 2.53 H new ATOM 0 HH21 ARG A 18 27.595 9.652 -0.026 1.00 2.76 H new ATOM 0 HH22 ARG A 18 26.765 10.139 1.456 1.00 2.76 H new ATOM 290 N ARG A 19 25.187 2.890 -3.068 1.00 0.02 N ATOM 291 CA ARG A 19 24.080 1.881 -3.063 1.00 0.02 C ATOM 292 C ARG A 19 23.897 1.305 -1.657 1.00 0.02 C ATOM 293 O ARG A 19 24.832 1.202 -0.887 1.00 0.02 O ATOM 294 CB ARG A 19 24.452 0.740 -4.024 1.00 0.85 C ATOM 295 CG ARG A 19 23.423 -0.418 -3.930 1.00 1.31 C ATOM 296 CD ARG A 19 23.951 -1.546 -3.024 1.00 1.34 C ATOM 297 NE ARG A 19 24.800 -2.467 -3.830 1.00 1.50 N ATOM 298 CZ ARG A 19 25.585 -3.322 -3.233 1.00 1.63 C ATOM 299 NH1 ARG A 19 25.624 -3.371 -1.929 1.00 1.72 N ATOM 300 NH2 ARG A 19 26.329 -4.128 -3.939 1.00 1.89 N ATOM 0 H ARG A 19 26.088 2.537 -2.745 1.00 0.02 H new ATOM 0 HA ARG A 19 23.152 2.360 -3.376 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.489 1.117 -5.046 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.448 0.368 -3.785 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.479 -0.041 -3.536 1.00 1.31 H new ATOM 0 HG3 ARG A 19 23.219 -0.811 -4.926 1.00 1.31 H new ATOM 0 HD2 ARG A 19 24.529 -1.126 -2.201 1.00 1.34 H new ATOM 0 HD3 ARG A 19 23.118 -2.093 -2.582 1.00 1.34 H new ATOM 0 HE ARG A 19 24.768 -2.430 -4.849 1.00 1.50 H new ATOM 0 HH11 ARG A 19 25.041 -2.741 -1.377 1.00 1.72 H new ATOM 0 HH12 ARG A 19 26.237 -4.039 -1.462 1.00 1.72 H new ATOM 0 HH21 ARG A 19 26.297 -4.090 -4.958 1.00 1.89 H new ATOM 0 HH22 ARG A 19 26.942 -4.796 -3.472 1.00 1.89 H new ATOM 314 N TYR A 20 22.695 0.897 -1.340 1.00 0.02 N ATOM 315 CA TYR A 20 22.425 0.279 -0.001 1.00 0.02 C ATOM 316 C TYR A 20 21.528 -0.944 -0.184 1.00 0.02 C ATOM 317 O TYR A 20 20.526 -0.883 -0.862 1.00 0.02 O ATOM 318 CB TYR A 20 21.745 1.278 0.947 1.00 0.02 C ATOM 319 CG TYR A 20 21.977 0.825 2.377 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.302 -0.298 2.876 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.886 1.511 3.192 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.533 -0.728 4.188 1.00 0.02 C ATOM 323 CE2 TYR A 20 23.119 1.076 4.502 1.00 0.02 C ATOM 324 CZ TYR A 20 22.441 -0.042 5.000 1.00 0.02 C ATOM 325 OH TYR A 20 22.671 -0.469 6.292 1.00 0.01 O ATOM 0 H TYR A 20 21.882 0.965 -1.953 1.00 0.02 H new ATOM 0 HA TYR A 20 23.377 -0.014 0.442 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.151 2.278 0.797 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.677 1.332 0.736 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.604 -0.831 2.248 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.407 2.376 2.810 1.00 0.02 H new ATOM 0 HE1 TYR A 20 21.009 -1.590 4.573 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.823 1.604 5.129 1.00 0.02 H new ATOM 0 HH TYR A 20 23.330 0.118 6.718 1.00 0.01 H new ATOM 335 N ASP A 21 21.870 -2.047 0.432 1.00 0.01 N ATOM 336 CA ASP A 21 21.033 -3.285 0.316 1.00 0.02 C ATOM 337 C ASP A 21 20.327 -3.517 1.654 1.00 0.00 C ATOM 338 O ASP A 21 20.913 -3.374 2.709 1.00 0.01 O ATOM 339 CB ASP A 21 21.948 -4.471 0.007 1.00 0.12 C ATOM 340 CG ASP A 21 23.190 -4.406 0.898 1.00 0.41 C ATOM 341 OD1 ASP A 21 23.127 -3.741 1.919 1.00 0.56 O ATOM 342 OD2 ASP A 21 24.182 -5.022 0.546 1.00 1.12 O ATOM 0 H ASP A 21 22.700 -2.146 1.016 1.00 0.01 H new ATOM 0 HA ASP A 21 20.295 -3.178 -0.479 1.00 0.02 H new ATOM 0 HB2 ASP A 21 21.416 -5.407 0.175 1.00 0.12 H new ATOM 0 HB3 ASP A 21 22.240 -4.454 -1.043 1.00 0.12 H new ATOM 347 N CYS A 22 19.055 -3.848 1.612 1.00 0.01 N ATOM 348 CA CYS A 22 18.275 -4.062 2.877 1.00 0.00 C ATOM 349 C CYS A 22 17.579 -5.424 2.838 1.00 0.02 C ATOM 350 O CYS A 22 17.030 -5.825 1.827 1.00 0.01 O ATOM 351 CB CYS A 22 17.224 -2.958 2.991 1.00 0.00 C ATOM 352 SG CYS A 22 16.080 -3.357 4.329 1.00 0.02 S ATOM 0 H CYS A 22 18.522 -3.980 0.752 1.00 0.01 H new ATOM 0 HA CYS A 22 18.948 -4.035 3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.706 -2.000 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.681 -2.859 2.051 1.00 0.00 H new ATOM 0 HG CYS A 22 15.837 -2.287 5.026 1.00 0.02 H new ATOM 358 N ASP A 23 17.607 -6.142 3.940 1.00 0.01 N ATOM 359 CA ASP A 23 16.962 -7.493 4.004 1.00 0.02 C ATOM 360 C ASP A 23 15.863 -7.523 5.078 1.00 0.00 C ATOM 361 O ASP A 23 15.358 -8.575 5.416 1.00 0.02 O ATOM 362 CB ASP A 23 18.029 -8.534 4.344 1.00 0.16 C ATOM 363 CG ASP A 23 18.935 -8.752 3.131 1.00 0.17 C ATOM 364 OD1 ASP A 23 19.360 -7.766 2.553 1.00 0.17 O ATOM 365 OD2 ASP A 23 19.187 -9.898 2.801 1.00 0.20 O ATOM 0 H ASP A 23 18.055 -5.844 4.806 1.00 0.01 H new ATOM 0 HA ASP A 23 16.508 -7.714 3.038 1.00 0.02 H new ATOM 0 HB2 ASP A 23 18.620 -8.199 5.197 1.00 0.16 H new ATOM 0 HB3 ASP A 23 17.557 -9.473 4.632 1.00 0.16 H new ATOM 370 N CYS A 24 15.475 -6.392 5.619 1.00 0.01 N ATOM 371 CA CYS A 24 14.401 -6.394 6.661 1.00 0.01 C ATOM 372 C CYS A 24 13.785 -4.991 6.759 1.00 0.01 C ATOM 373 O CYS A 24 14.251 -4.063 6.135 1.00 0.01 O ATOM 374 CB CYS A 24 14.999 -6.790 8.013 1.00 0.62 C ATOM 375 SG CYS A 24 16.125 -5.489 8.578 1.00 1.23 S ATOM 0 H CYS A 24 15.853 -5.474 5.385 1.00 0.01 H new ATOM 0 HA CYS A 24 13.628 -7.112 6.387 1.00 0.01 H new ATOM 0 HB2 CYS A 24 14.205 -6.941 8.744 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.534 -7.735 7.923 1.00 0.62 H new ATOM 0 HG CYS A 24 15.446 -4.413 8.844 1.00 1.23 H new ATOM 381 N ASP A 25 12.737 -4.816 7.524 1.00 0.02 N ATOM 382 CA ASP A 25 12.105 -3.464 7.633 1.00 0.01 C ATOM 383 C ASP A 25 13.083 -2.453 8.248 1.00 0.02 C ATOM 384 O ASP A 25 13.864 -2.779 9.120 1.00 0.00 O ATOM 385 CB ASP A 25 10.872 -3.567 8.532 1.00 0.01 C ATOM 386 CG ASP A 25 11.225 -4.349 9.798 1.00 0.01 C ATOM 387 OD1 ASP A 25 12.032 -3.855 10.569 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.686 -5.429 9.976 1.00 0.01 O ATOM 0 H ASP A 25 12.292 -5.548 8.077 1.00 0.02 H new ATOM 0 HA ASP A 25 11.829 -3.124 6.635 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.517 -2.571 8.795 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.061 -4.064 7.999 1.00 0.01 H new ATOM 393 N CYS A 26 13.018 -1.215 7.812 1.00 0.01 N ATOM 394 CA CYS A 26 13.911 -0.150 8.375 1.00 0.01 C ATOM 395 C CYS A 26 13.073 1.113 8.645 1.00 0.01 C ATOM 396 O CYS A 26 12.457 1.664 7.751 1.00 0.01 O ATOM 397 CB CYS A 26 15.039 0.159 7.385 1.00 0.01 C ATOM 398 SG CYS A 26 15.513 -1.361 6.527 1.00 0.02 S ATOM 0 H CYS A 26 12.379 -0.895 7.084 1.00 0.01 H new ATOM 0 HA CYS A 26 14.356 -0.494 9.309 1.00 0.01 H new ATOM 0 HB2 CYS A 26 14.712 0.910 6.666 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.897 0.576 7.912 1.00 0.01 H new ATOM 0 HG CYS A 26 16.746 -1.267 6.126 1.00 0.02 H new ATOM 404 N ALA A 27 13.011 1.543 9.881 1.00 0.01 N ATOM 405 CA ALA A 27 12.175 2.734 10.231 1.00 0.01 C ATOM 406 C ALA A 27 12.856 4.055 9.849 1.00 0.01 C ATOM 407 O ALA A 27 12.203 5.074 9.729 1.00 0.02 O ATOM 408 CB ALA A 27 11.897 2.728 11.736 1.00 0.24 C ATOM 0 H ALA A 27 13.505 1.119 10.666 1.00 0.01 H new ATOM 0 HA ALA A 27 11.246 2.665 9.665 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.288 3.594 11.997 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.364 1.816 12.004 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.840 2.771 12.280 1.00 0.24 H new ATOM 414 N ASP A 28 14.151 4.068 9.680 1.00 0.01 N ATOM 415 CA ASP A 28 14.839 5.353 9.324 1.00 0.02 C ATOM 416 C ASP A 28 16.132 5.061 8.559 1.00 0.01 C ATOM 417 O ASP A 28 17.109 4.608 9.119 1.00 0.02 O ATOM 418 CB ASP A 28 15.162 6.129 10.603 1.00 0.67 C ATOM 419 CG ASP A 28 15.873 7.435 10.242 1.00 0.90 C ATOM 420 OD1 ASP A 28 15.412 8.106 9.332 1.00 1.14 O ATOM 421 OD2 ASP A 28 16.865 7.743 10.882 1.00 0.87 O ATOM 0 H ASP A 28 14.761 3.256 9.771 1.00 0.01 H new ATOM 0 HA ASP A 28 14.180 5.949 8.692 1.00 0.02 H new ATOM 0 HB2 ASP A 28 14.245 6.342 11.153 1.00 0.67 H new ATOM 0 HB3 ASP A 28 15.794 5.527 11.256 1.00 0.67 H new ATOM 426 N PHE A 29 16.136 5.308 7.273 1.00 0.02 N ATOM 427 CA PHE A 29 17.347 5.044 6.431 1.00 0.02 C ATOM 428 C PHE A 29 18.086 6.359 6.127 1.00 0.00 C ATOM 429 O PHE A 29 18.996 6.405 5.322 1.00 0.02 O ATOM 430 CB PHE A 29 16.875 4.376 5.109 1.00 2.87 C ATOM 431 CG PHE A 29 17.456 2.980 4.961 1.00 3.99 C ATOM 432 CD1 PHE A 29 17.370 2.070 6.022 1.00 4.52 C ATOM 433 CD2 PHE A 29 18.070 2.598 3.762 1.00 4.68 C ATOM 434 CE1 PHE A 29 17.900 0.782 5.885 1.00 5.75 C ATOM 435 CE2 PHE A 29 18.597 1.310 3.625 1.00 5.85 C ATOM 436 CZ PHE A 29 18.513 0.403 4.687 1.00 6.37 C ATOM 0 H PHE A 29 15.339 5.687 6.762 1.00 0.02 H new ATOM 0 HA PHE A 29 18.037 4.388 6.962 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.786 4.323 5.094 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.176 4.990 4.260 1.00 2.87 H new ATOM 0 HD1 PHE A 29 16.894 2.362 6.947 1.00 4.52 H new ATOM 0 HD2 PHE A 29 18.137 3.298 2.943 1.00 4.68 H new ATOM 0 HE1 PHE A 29 17.836 0.081 6.704 1.00 5.75 H new ATOM 0 HE2 PHE A 29 19.069 1.015 2.699 1.00 5.85 H new ATOM 0 HZ PHE A 29 18.922 -0.591 4.581 1.00 6.37 H new ATOM 446 N ARG A 30 17.655 7.435 6.725 1.00 0.01 N ATOM 447 CA ARG A 30 18.280 8.758 6.447 1.00 0.00 C ATOM 448 C ARG A 30 19.766 8.782 6.819 1.00 0.01 C ATOM 449 O ARG A 30 20.534 9.522 6.237 1.00 0.02 O ATOM 450 CB ARG A 30 17.556 9.844 7.246 1.00 0.32 C ATOM 451 CG ARG A 30 16.131 10.011 6.710 1.00 0.86 C ATOM 452 CD ARG A 30 15.477 11.227 7.369 1.00 1.62 C ATOM 453 NE ARG A 30 14.181 11.521 6.693 1.00 2.25 N ATOM 454 CZ ARG A 30 13.316 12.315 7.262 1.00 2.70 C ATOM 455 NH1 ARG A 30 13.590 12.859 8.417 1.00 3.11 N ATOM 456 NH2 ARG A 30 12.177 12.568 6.675 1.00 3.02 N ATOM 0 H ARG A 30 16.890 7.454 7.400 1.00 0.01 H new ATOM 0 HA ARG A 30 18.193 8.941 5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.529 9.576 8.302 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.097 10.787 7.170 1.00 0.32 H new ATOM 0 HG2 ARG A 30 16.151 10.137 5.628 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.546 9.114 6.916 1.00 0.86 H new ATOM 0 HD2 ARG A 30 15.311 11.034 8.429 1.00 1.62 H new ATOM 0 HD3 ARG A 30 16.139 12.090 7.302 1.00 1.62 H new ATOM 0 HE ARG A 30 13.971 11.102 5.787 1.00 2.25 H new ATOM 0 HH11 ARG A 30 14.480 12.663 8.875 1.00 3.11 H new ATOM 0 HH12 ARG A 30 12.914 13.480 8.862 1.00 3.11 H new ATOM 0 HH21 ARG A 30 11.964 12.145 5.772 1.00 3.02 H new ATOM 0 HH22 ARG A 30 11.501 13.189 7.120 1.00 3.02 H new ATOM 470 N SER A 31 20.193 8.015 7.788 1.00 0.02 N ATOM 471 CA SER A 31 21.634 8.056 8.182 1.00 0.02 C ATOM 472 C SER A 31 22.500 7.288 7.184 1.00 0.01 C ATOM 473 O SER A 31 23.707 7.433 7.162 1.00 0.02 O ATOM 474 CB SER A 31 21.789 7.427 9.566 1.00 0.37 C ATOM 475 OG SER A 31 21.139 8.246 10.530 1.00 0.88 O ATOM 0 H SER A 31 19.612 7.367 8.320 1.00 0.02 H new ATOM 0 HA SER A 31 21.961 9.096 8.194 1.00 0.02 H new ATOM 0 HB2 SER A 31 21.359 6.426 9.573 1.00 0.37 H new ATOM 0 HB3 SER A 31 22.845 7.322 9.814 1.00 0.37 H new ATOM 0 HG SER A 31 21.235 7.844 11.419 1.00 0.88 H new ATOM 481 N TYR A 32 21.899 6.450 6.381 1.00 0.01 N ATOM 482 CA TYR A 32 22.688 5.635 5.403 1.00 0.01 C ATOM 483 C TYR A 32 22.492 6.163 3.984 1.00 0.02 C ATOM 484 O TYR A 32 23.278 5.888 3.099 1.00 0.02 O ATOM 485 CB TYR A 32 22.192 4.192 5.467 1.00 0.02 C ATOM 486 CG TYR A 32 22.560 3.592 6.805 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.902 3.319 7.103 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.563 3.311 7.748 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.246 2.765 8.342 1.00 0.00 C ATOM 490 CE2 TYR A 32 21.909 2.758 8.987 1.00 0.02 C ATOM 491 CZ TYR A 32 23.249 2.486 9.284 1.00 0.02 C ATOM 492 OH TYR A 32 23.590 1.939 10.504 1.00 0.02 O ATOM 0 H TYR A 32 20.891 6.292 6.358 1.00 0.01 H new ATOM 0 HA TYR A 32 23.746 5.694 5.656 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.111 4.161 5.327 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.635 3.608 4.660 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.671 3.536 6.377 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.528 3.521 7.520 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.280 2.553 8.571 1.00 0.00 H new ATOM 0 HE2 TYR A 32 21.141 2.541 9.714 1.00 0.02 H new ATOM 0 HH TYR A 32 22.781 1.808 11.041 1.00 0.02 H new ATOM 502 N LEU A 33 21.434 6.884 3.741 1.00 0.02 N ATOM 503 CA LEU A 33 21.175 7.385 2.357 1.00 0.02 C ATOM 504 C LEU A 33 20.429 8.724 2.425 1.00 0.02 C ATOM 505 O LEU A 33 19.422 8.857 3.089 1.00 0.02 O ATOM 506 CB LEU A 33 20.282 6.354 1.642 1.00 1.66 C ATOM 507 CG LEU A 33 20.469 6.450 0.114 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.705 5.651 -0.327 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.233 5.884 -0.593 1.00 2.80 C ATOM 0 H LEU A 33 20.737 7.149 4.437 1.00 0.02 H new ATOM 0 HA LEU A 33 22.115 7.524 1.824 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.531 5.349 1.983 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.237 6.528 1.899 1.00 1.66 H new ATOM 0 HG LEU A 33 20.605 7.498 -0.153 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.822 5.729 -1.408 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.592 6.052 0.164 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.579 4.604 -0.051 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.368 5.953 -1.672 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.098 4.840 -0.310 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.352 6.456 -0.300 1.00 2.80 H new ATOM 521 N SER A 34 20.941 9.724 1.752 1.00 0.02 N ATOM 522 CA SER A 34 20.299 11.068 1.780 1.00 0.02 C ATOM 523 C SER A 34 19.221 11.192 0.697 1.00 0.00 C ATOM 524 O SER A 34 18.439 12.119 0.702 1.00 0.01 O ATOM 525 CB SER A 34 21.364 12.139 1.547 1.00 0.02 C ATOM 526 OG SER A 34 20.761 13.425 1.614 1.00 0.02 O ATOM 0 H SER A 34 21.784 9.663 1.180 1.00 0.02 H new ATOM 0 HA SER A 34 19.828 11.202 2.754 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.151 12.054 2.296 1.00 0.02 H new ATOM 0 HB3 SER A 34 21.834 11.995 0.574 1.00 0.02 H new ATOM 0 HG SER A 34 19.806 13.349 1.409 1.00 0.02 H new ATOM 532 N ARG A 35 19.169 10.273 -0.236 1.00 0.02 N ATOM 533 CA ARG A 35 18.144 10.345 -1.316 1.00 0.01 C ATOM 534 C ARG A 35 18.207 9.047 -2.131 1.00 0.02 C ATOM 535 O ARG A 35 19.184 8.326 -2.087 1.00 0.02 O ATOM 536 CB ARG A 35 18.438 11.536 -2.231 1.00 0.02 C ATOM 537 CG ARG A 35 19.918 11.531 -2.617 1.00 0.02 C ATOM 538 CD ARG A 35 20.180 12.626 -3.653 1.00 0.02 C ATOM 539 NE ARG A 35 19.650 13.924 -3.150 1.00 0.02 N ATOM 540 CZ ARG A 35 20.016 15.041 -3.716 1.00 0.02 C ATOM 541 NH1 ARG A 35 20.849 15.020 -4.721 1.00 0.00 N ATOM 542 NH2 ARG A 35 19.553 16.179 -3.277 1.00 0.02 N ATOM 0 H ARG A 35 19.798 9.472 -0.293 1.00 0.02 H new ATOM 0 HA ARG A 35 17.153 10.470 -0.880 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.818 11.482 -3.126 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.187 12.468 -1.724 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.535 11.696 -1.734 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.195 10.558 -3.023 1.00 0.02 H new ATOM 0 HD2 ARG A 35 21.249 12.709 -3.848 1.00 0.02 H new ATOM 0 HD3 ARG A 35 19.703 12.368 -4.599 1.00 0.02 H new ATOM 0 HE ARG A 35 19.001 13.940 -2.363 1.00 0.02 H new ATOM 0 HH11 ARG A 35 21.213 14.131 -5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.136 15.893 -5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.904 16.196 -2.490 1.00 0.02 H new ATOM 0 HH22 ARG A 35 19.840 17.052 -3.720 1.00 0.02 H new ATOM 556 N CYS A 36 17.178 8.742 -2.880 1.00 0.02 N ATOM 557 CA CYS A 36 17.179 7.492 -3.706 1.00 0.02 C ATOM 558 C CYS A 36 16.459 7.763 -5.031 1.00 0.02 C ATOM 559 O CYS A 36 15.291 8.102 -5.028 1.00 0.02 O ATOM 560 CB CYS A 36 16.440 6.389 -2.948 1.00 0.02 C ATOM 561 SG CYS A 36 16.087 5.016 -4.068 1.00 0.02 S ATOM 0 H CYS A 36 16.332 9.307 -2.957 1.00 0.02 H new ATOM 0 HA CYS A 36 18.205 7.180 -3.902 1.00 0.02 H new ATOM 0 HB2 CYS A 36 17.045 6.042 -2.110 1.00 0.02 H new ATOM 0 HB3 CYS A 36 15.512 6.779 -2.531 1.00 0.02 H new ATOM 0 HG CYS A 36 17.071 4.875 -4.906 1.00 0.02 H new ATOM 567 N ASN A 37 17.127 7.654 -6.164 1.00 0.02 N ATOM 568 CA ASN A 37 16.441 7.952 -7.468 1.00 0.01 C ATOM 569 C ASN A 37 16.211 6.678 -8.292 1.00 0.02 C ATOM 570 O ASN A 37 15.645 6.715 -9.367 1.00 0.02 O ATOM 571 CB ASN A 37 17.297 8.920 -8.288 1.00 0.02 C ATOM 572 CG ASN A 37 17.321 10.288 -7.605 1.00 0.01 C ATOM 573 OD1 ASN A 37 17.530 10.358 -6.319 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 17.150 11.303 -8.248 1.00 0.02 N flip ATOM 0 H ASN A 37 18.105 7.375 -6.240 1.00 0.02 H new ATOM 0 HA ASN A 37 15.472 8.395 -7.238 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.311 8.532 -8.384 1.00 0.02 H new ATOM 0 HB3 ASN A 37 16.894 9.013 -9.297 1.00 0.02 H new ATOM 0 HD21 ASN A 37 16.987 11.248 -9.253 1.00 0.02 H new ATOM 0 HD22 ASN A 37 17.170 12.211 -7.783 1.00 0.02 H new ATOM 581 N SER A 38 16.620 5.543 -7.784 1.00 0.02 N ATOM 582 CA SER A 38 16.406 4.259 -8.515 1.00 0.02 C ATOM 583 C SER A 38 16.399 3.118 -7.498 1.00 0.01 C ATOM 584 O SER A 38 16.964 3.227 -6.427 1.00 0.02 O ATOM 585 CB SER A 38 17.515 4.037 -9.546 1.00 0.01 C ATOM 586 OG SER A 38 17.299 4.894 -10.659 1.00 0.02 O ATOM 0 H SER A 38 17.097 5.451 -6.887 1.00 0.02 H new ATOM 0 HA SER A 38 15.454 4.294 -9.045 1.00 0.02 H new ATOM 0 HB2 SER A 38 18.488 4.240 -9.100 1.00 0.01 H new ATOM 0 HB3 SER A 38 17.523 2.996 -9.870 1.00 0.01 H new ATOM 0 HG SER A 38 17.781 4.546 -11.438 1.00 0.02 H new ATOM 592 N ILE A 39 15.737 2.028 -7.805 1.00 0.02 N ATOM 593 CA ILE A 39 15.669 0.897 -6.827 1.00 0.02 C ATOM 594 C ILE A 39 15.652 -0.449 -7.552 1.00 0.02 C ATOM 595 O ILE A 39 15.067 -0.609 -8.605 1.00 0.02 O ATOM 596 CB ILE A 39 14.368 1.017 -6.026 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.204 2.455 -5.531 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.414 0.069 -4.827 1.00 0.01 C ATOM 599 CD1 ILE A 39 12.978 2.546 -4.622 1.00 0.00 C ATOM 0 H ILE A 39 15.244 1.873 -8.684 1.00 0.02 H new ATOM 0 HA ILE A 39 16.543 0.947 -6.178 1.00 0.02 H new ATOM 0 HB ILE A 39 13.525 0.753 -6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.096 2.768 -4.988 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.093 3.132 -6.378 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.488 0.156 -4.259 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.529 -0.956 -5.178 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.258 0.331 -4.188 1.00 0.01 H new ATOM 0 HD11 ILE A 39 12.862 3.571 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.089 2.251 -5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.108 1.881 -3.768 1.00 0.00 H new ATOM 611 N ARG A 40 16.249 -1.443 -6.942 1.00 0.02 N ATOM 612 CA ARG A 40 16.240 -2.821 -7.514 1.00 0.02 C ATOM 613 C ARG A 40 15.638 -3.757 -6.468 1.00 0.01 C ATOM 614 O ARG A 40 16.139 -3.852 -5.366 1.00 0.02 O ATOM 615 CB ARG A 40 17.655 -3.294 -7.856 1.00 0.01 C ATOM 616 CG ARG A 40 17.582 -4.659 -8.542 1.00 0.02 C ATOM 617 CD ARG A 40 18.973 -5.058 -9.041 1.00 0.02 C ATOM 618 NE ARG A 40 19.391 -4.142 -10.139 1.00 0.02 N ATOM 619 CZ ARG A 40 20.641 -4.097 -10.513 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.526 -4.853 -9.924 1.00 0.02 N ATOM 621 NH2 ARG A 40 21.005 -3.295 -11.476 1.00 0.02 N ATOM 0 H ARG A 40 16.750 -1.354 -6.058 1.00 0.02 H new ATOM 0 HA ARG A 40 15.656 -2.823 -8.434 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.144 -2.572 -8.510 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.257 -3.362 -6.950 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.206 -5.408 -7.845 1.00 0.02 H new ATOM 0 HG3 ARG A 40 16.882 -4.621 -9.377 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.691 -5.012 -8.222 1.00 0.02 H new ATOM 0 HD3 ARG A 40 18.961 -6.088 -9.398 1.00 0.02 H new ATOM 0 HE ARG A 40 18.700 -3.549 -10.599 1.00 0.02 H new ATOM 0 HH11 ARG A 40 21.241 -5.480 -9.171 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.503 -4.818 -10.216 1.00 0.02 H new ATOM 0 HH21 ARG A 40 20.313 -2.704 -11.936 1.00 0.02 H new ATOM 0 HH22 ARG A 40 21.982 -3.260 -11.768 1.00 0.02 H new ATOM 635 N VAL A 41 14.603 -4.481 -6.809 1.00 0.02 N ATOM 636 CA VAL A 41 14.012 -5.451 -5.840 1.00 0.01 C ATOM 637 C VAL A 41 14.434 -6.841 -6.295 1.00 0.02 C ATOM 638 O VAL A 41 14.057 -7.291 -7.358 1.00 0.02 O ATOM 639 CB VAL A 41 12.490 -5.322 -5.823 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.925 -6.207 -4.709 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.117 -3.867 -5.535 1.00 0.00 C ATOM 0 H VAL A 41 14.141 -4.442 -7.718 1.00 0.02 H new ATOM 0 HA VAL A 41 14.362 -5.257 -4.826 1.00 0.01 H new ATOM 0 HB VAL A 41 12.082 -5.629 -6.786 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.839 -6.120 -4.691 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.203 -7.245 -4.893 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.331 -5.887 -3.749 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.032 -3.766 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.522 -3.573 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.531 -3.225 -6.312 1.00 0.00 H new ATOM 651 N GLU A 42 15.243 -7.511 -5.514 1.00 0.01 N ATOM 652 CA GLU A 42 15.726 -8.860 -5.923 1.00 0.01 C ATOM 653 C GLU A 42 14.715 -9.921 -5.523 1.00 0.02 C ATOM 654 O GLU A 42 14.543 -10.905 -6.214 1.00 0.01 O ATOM 655 CB GLU A 42 17.070 -9.153 -5.250 1.00 0.99 C ATOM 656 CG GLU A 42 17.747 -10.335 -5.947 1.00 1.86 C ATOM 657 CD GLU A 42 18.943 -10.797 -5.113 1.00 3.10 C ATOM 658 OE1 GLU A 42 19.974 -10.146 -5.180 1.00 3.67 O ATOM 659 OE2 GLU A 42 18.807 -11.792 -4.420 1.00 3.81 O ATOM 0 H GLU A 42 15.588 -7.181 -4.613 1.00 0.01 H new ATOM 0 HA GLU A 42 15.850 -8.877 -7.006 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.712 -8.273 -5.298 1.00 0.99 H new ATOM 0 HB3 GLU A 42 16.918 -9.379 -4.195 1.00 0.99 H new ATOM 0 HG2 GLU A 42 17.038 -11.153 -6.071 1.00 1.86 H new ATOM 0 HG3 GLU A 42 18.076 -10.044 -6.945 1.00 1.86 H new ATOM 666 N GLY A 43 14.043 -9.758 -4.418 1.00 0.01 N ATOM 667 CA GLY A 43 13.061 -10.801 -4.022 1.00 0.02 C ATOM 668 C GLY A 43 12.087 -10.261 -2.981 1.00 0.02 C ATOM 669 O GLY A 43 12.444 -9.430 -2.168 1.00 0.02 O ATOM 0 H GLY A 43 14.129 -8.964 -3.784 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.511 -11.141 -4.900 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.586 -11.667 -3.620 1.00 0.02 H new ATOM 673 N GLY A 44 10.876 -10.752 -2.979 1.00 0.00 N ATOM 674 CA GLY A 44 9.879 -10.288 -1.970 1.00 0.01 C ATOM 675 C GLY A 44 9.173 -9.019 -2.463 1.00 0.01 C ATOM 676 O GLY A 44 9.554 -8.421 -3.449 1.00 0.01 O ATOM 0 H GLY A 44 10.534 -11.455 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.145 -11.073 -1.787 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.377 -10.090 -1.021 1.00 0.01 H new ATOM 680 N THR A 45 8.163 -8.595 -1.747 1.00 0.01 N ATOM 681 CA THR A 45 7.423 -7.343 -2.108 1.00 0.00 C ATOM 682 C THR A 45 7.596 -6.360 -0.950 1.00 0.01 C ATOM 683 O THR A 45 7.514 -6.745 0.198 1.00 0.01 O ATOM 684 CB THR A 45 5.933 -7.666 -2.293 1.00 0.73 C ATOM 685 OG1 THR A 45 5.771 -8.494 -3.436 1.00 0.88 O ATOM 686 CG2 THR A 45 5.130 -6.372 -2.483 1.00 1.48 C ATOM 0 H THR A 45 7.813 -9.069 -0.915 1.00 0.01 H new ATOM 0 HA THR A 45 7.807 -6.918 -3.035 1.00 0.00 H new ATOM 0 HB THR A 45 5.567 -8.183 -1.406 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.821 -8.704 -3.556 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.075 -6.614 -2.613 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.251 -5.737 -1.606 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.493 -5.845 -3.365 1.00 1.48 H new ATOM 694 N TRP A 46 7.909 -5.113 -1.222 1.00 0.02 N ATOM 695 CA TRP A 46 8.163 -4.146 -0.100 1.00 0.01 C ATOM 696 C TRP A 46 7.308 -2.886 -0.210 1.00 0.01 C ATOM 697 O TRP A 46 6.922 -2.450 -1.274 1.00 0.01 O ATOM 698 CB TRP A 46 9.636 -3.737 -0.132 1.00 0.00 C ATOM 699 CG TRP A 46 10.487 -4.935 0.136 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.665 -5.970 -0.718 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.274 -5.242 1.321 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.512 -6.892 -0.131 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.913 -6.488 1.127 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.491 -4.567 2.535 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.741 -7.044 2.102 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.322 -5.123 3.519 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.946 -6.360 3.302 1.00 0.01 C ATOM 0 H TRP A 46 7.999 -4.725 -2.161 1.00 0.02 H new ATOM 0 HA TRP A 46 7.903 -4.645 0.833 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.886 -3.309 -1.103 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.828 -2.966 0.615 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.219 -6.061 -1.697 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.805 -7.763 -0.573 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.015 -3.614 2.711 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.220 -7.997 1.930 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.482 -4.596 4.448 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.585 -6.784 4.063 1.00 0.01 H new ATOM 718 N ALA A 47 7.075 -2.273 0.922 1.00 0.01 N ATOM 719 CA ALA A 47 6.320 -0.992 0.981 1.00 0.01 C ATOM 720 C ALA A 47 7.352 0.076 1.335 1.00 0.01 C ATOM 721 O ALA A 47 8.135 -0.093 2.250 1.00 0.01 O ATOM 722 CB ALA A 47 5.234 -1.068 2.058 1.00 0.24 C ATOM 0 H ALA A 47 7.386 -2.619 1.830 1.00 0.01 H new ATOM 0 HA ALA A 47 5.821 -0.770 0.038 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.688 -0.125 2.092 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.544 -1.878 1.822 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.696 -1.255 3.028 1.00 0.24 H new ATOM 728 N VAL A 48 7.344 1.183 0.636 1.00 0.01 N ATOM 729 CA VAL A 48 8.310 2.286 0.942 1.00 0.02 C ATOM 730 C VAL A 48 7.535 3.517 1.401 1.00 0.01 C ATOM 731 O VAL A 48 6.478 3.815 0.878 1.00 0.01 O ATOM 732 CB VAL A 48 9.134 2.626 -0.299 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.965 1.408 -0.706 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.196 3.014 -1.446 1.00 0.65 C ATOM 0 H VAL A 48 6.707 1.373 -0.138 1.00 0.01 H new ATOM 0 HA VAL A 48 8.988 1.962 1.732 1.00 0.02 H new ATOM 0 HB VAL A 48 9.798 3.462 -0.078 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.554 1.649 -1.591 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.633 1.134 0.111 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.301 0.572 -0.928 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.784 3.256 -2.331 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.531 2.180 -1.670 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.605 3.882 -1.155 1.00 0.65 H new ATOM 744 N TYR A 49 8.050 4.234 2.376 1.00 0.01 N ATOM 745 CA TYR A 49 7.345 5.452 2.885 1.00 0.01 C ATOM 746 C TYR A 49 8.240 6.677 2.704 1.00 0.01 C ATOM 747 O TYR A 49 9.453 6.619 2.829 1.00 0.02 O ATOM 748 CB TYR A 49 7.019 5.264 4.367 1.00 0.01 C ATOM 749 CG TYR A 49 6.050 4.114 4.524 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.520 2.794 4.496 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.685 4.368 4.697 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.622 1.730 4.641 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.787 3.302 4.841 1.00 0.01 C ATOM 754 CZ TYR A 49 4.257 1.984 4.813 1.00 0.02 C ATOM 755 OH TYR A 49 3.373 0.933 4.955 1.00 0.01 O ATOM 0 H TYR A 49 8.933 4.024 2.841 1.00 0.01 H new ATOM 0 HA TYR A 49 6.421 5.600 2.326 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.931 5.065 4.929 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.586 6.178 4.775 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.574 2.598 4.363 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.324 5.385 4.720 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.983 0.712 4.620 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.733 3.497 4.973 1.00 0.01 H new ATOM 0 HH TYR A 49 2.519 1.268 5.300 1.00 0.01 H new ATOM 765 N GLU A 50 7.626 7.782 2.375 1.00 0.01 N ATOM 766 CA GLU A 50 8.378 9.042 2.115 1.00 0.01 C ATOM 767 C GLU A 50 9.082 9.553 3.375 1.00 0.01 C ATOM 768 O GLU A 50 10.140 10.142 3.284 1.00 0.02 O ATOM 769 CB GLU A 50 7.388 10.101 1.631 1.00 0.02 C ATOM 770 CG GLU A 50 8.152 11.282 1.028 1.00 0.01 C ATOM 771 CD GLU A 50 7.184 12.438 0.769 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.064 12.168 0.369 1.00 0.02 O ATOM 773 OE2 GLU A 50 7.580 13.574 0.974 1.00 0.01 O ATOM 0 H GLU A 50 6.614 7.865 2.274 1.00 0.01 H new ATOM 0 HA GLU A 50 9.142 8.842 1.364 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.716 9.672 0.888 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.769 10.441 2.461 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.943 11.601 1.706 1.00 0.01 H new ATOM 0 HG3 GLU A 50 8.633 10.981 0.097 1.00 0.01 H new ATOM 780 N ARG A 51 8.508 9.369 4.546 1.00 0.02 N ATOM 781 CA ARG A 51 9.164 9.891 5.795 1.00 0.02 C ATOM 782 C ARG A 51 9.356 8.736 6.801 1.00 0.01 C ATOM 783 O ARG A 51 8.667 7.733 6.730 1.00 0.02 O ATOM 784 CB ARG A 51 8.238 10.971 6.404 1.00 0.02 C ATOM 785 CG ARG A 51 8.668 12.366 5.934 1.00 0.01 C ATOM 786 CD ARG A 51 7.727 13.419 6.525 1.00 0.02 C ATOM 787 NE ARG A 51 8.286 14.778 6.281 1.00 0.02 N ATOM 788 CZ ARG A 51 7.530 15.831 6.428 1.00 0.02 C ATOM 789 NH1 ARG A 51 6.281 15.694 6.788 1.00 0.02 N ATOM 790 NH2 ARG A 51 8.022 17.022 6.218 1.00 0.01 N ATOM 0 H ARG A 51 7.622 8.885 4.691 1.00 0.02 H new ATOM 0 HA ARG A 51 10.140 10.317 5.564 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.206 10.783 6.110 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.274 10.919 7.492 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.694 12.565 6.244 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.649 12.416 4.845 1.00 0.01 H new ATOM 0 HD2 ARG A 51 6.739 13.334 6.073 1.00 0.02 H new ATOM 0 HD3 ARG A 51 7.603 13.252 7.595 1.00 0.02 H new ATOM 0 HE ARG A 51 9.260 14.885 5.999 1.00 0.02 H new ATOM 0 HH11 ARG A 51 5.897 14.764 6.954 1.00 0.02 H new ATOM 0 HH12 ARG A 51 5.690 16.517 6.903 1.00 0.02 H new ATOM 0 HH21 ARG A 51 8.997 17.129 5.939 1.00 0.01 H new ATOM 0 HH22 ARG A 51 7.431 17.845 6.333 1.00 0.01 H new ATOM 804 N PRO A 52 10.288 8.880 7.735 1.00 0.02 N ATOM 805 CA PRO A 52 10.556 7.815 8.749 1.00 0.02 C ATOM 806 C PRO A 52 9.293 7.380 9.497 1.00 0.01 C ATOM 807 O PRO A 52 8.268 8.031 9.474 1.00 0.02 O ATOM 808 CB PRO A 52 11.574 8.491 9.697 1.00 0.02 C ATOM 809 CG PRO A 52 11.780 9.946 9.232 1.00 0.01 C ATOM 810 CD PRO A 52 11.139 10.102 7.845 1.00 0.01 C ATOM 0 HA PRO A 52 10.924 6.893 8.298 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.209 8.469 10.724 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.521 7.951 9.684 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.327 10.639 9.940 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.843 10.184 9.189 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.547 11.015 7.773 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.889 10.145 7.055 1.00 0.01 H new ATOM 818 N ASN A 53 9.405 6.278 10.190 1.00 0.02 N ATOM 819 CA ASN A 53 8.271 5.758 10.997 1.00 0.02 C ATOM 820 C ASN A 53 7.087 5.384 10.106 1.00 0.01 C ATOM 821 O ASN A 53 5.938 5.544 10.469 1.00 0.01 O ATOM 822 CB ASN A 53 7.849 6.822 12.015 1.00 0.01 C ATOM 823 CG ASN A 53 9.094 7.499 12.590 1.00 0.02 C ATOM 824 OD1 ASN A 53 9.945 6.847 13.163 1.00 0.02 O ATOM 825 ND2 ASN A 53 9.238 8.790 12.462 1.00 0.01 N ATOM 0 H ASN A 53 10.251 5.709 10.229 1.00 0.02 H new ATOM 0 HA ASN A 53 8.594 4.856 11.517 1.00 0.02 H new ATOM 0 HB2 ASN A 53 7.207 7.562 11.538 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.268 6.364 12.816 1.00 0.01 H new ATOM 0 HD21 ASN A 53 10.064 9.251 12.843 1.00 0.01 H new ATOM 0 HD22 ASN A 53 8.524 9.338 11.981 1.00 0.01 H new ATOM 832 N PHE A 54 7.372 4.857 8.944 1.00 0.02 N ATOM 833 CA PHE A 54 6.289 4.431 8.014 1.00 0.01 C ATOM 834 C PHE A 54 5.198 5.500 7.929 1.00 0.01 C ATOM 835 O PHE A 54 4.025 5.230 8.090 1.00 0.02 O ATOM 836 CB PHE A 54 5.697 3.106 8.514 1.00 1.78 C ATOM 837 CG PHE A 54 6.801 2.254 9.100 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.890 1.881 8.304 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.741 1.842 10.439 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.917 1.095 8.843 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.768 1.058 10.978 1.00 3.32 C ATOM 842 CZ PHE A 54 8.856 0.684 10.179 1.00 3.39 C ATOM 0 H PHE A 54 8.319 4.703 8.598 1.00 0.02 H new ATOM 0 HA PHE A 54 6.704 4.295 7.015 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.932 3.297 9.266 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.212 2.578 7.693 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.939 2.199 7.273 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.902 2.130 11.055 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.756 0.806 8.227 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.721 0.742 12.010 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.648 0.078 10.594 1.00 3.39 H new ATOM 852 N SER A 55 5.602 6.721 7.671 1.00 0.02 N ATOM 853 CA SER A 55 4.623 7.853 7.562 1.00 0.02 C ATOM 854 C SER A 55 4.802 8.566 6.217 1.00 0.01 C ATOM 855 O SER A 55 5.801 8.400 5.544 1.00 0.01 O ATOM 856 CB SER A 55 4.875 8.844 8.698 1.00 1.90 C ATOM 857 OG SER A 55 5.019 8.130 9.920 1.00 2.33 O ATOM 0 H SER A 55 6.577 6.986 7.530 1.00 0.02 H new ATOM 0 HA SER A 55 3.608 7.463 7.629 1.00 0.02 H new ATOM 0 HB2 SER A 55 5.774 9.426 8.495 1.00 1.90 H new ATOM 0 HB3 SER A 55 4.048 9.550 8.771 1.00 1.90 H new ATOM 0 HG SER A 55 5.183 8.762 10.651 1.00 2.33 H new ATOM 863 N GLY A 56 3.831 9.347 5.810 1.00 0.02 N ATOM 864 CA GLY A 56 3.928 10.057 4.498 1.00 0.02 C ATOM 865 C GLY A 56 3.356 9.167 3.388 1.00 0.02 C ATOM 866 O GLY A 56 2.614 8.242 3.651 1.00 0.00 O ATOM 0 H GLY A 56 2.973 9.523 6.332 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.381 10.999 4.541 1.00 0.02 H new ATOM 0 HA3 GLY A 56 4.968 10.302 4.282 1.00 0.02 H new ATOM 870 N HIS A 57 3.668 9.447 2.151 1.00 0.02 N ATOM 871 CA HIS A 57 3.103 8.624 1.040 1.00 0.02 C ATOM 872 C HIS A 57 3.674 7.203 1.093 1.00 0.01 C ATOM 873 O HIS A 57 4.846 7.011 1.352 1.00 0.01 O ATOM 874 CB HIS A 57 3.442 9.279 -0.309 1.00 0.00 C ATOM 875 CG HIS A 57 2.432 8.866 -1.348 1.00 0.01 C ATOM 876 ND1 HIS A 57 2.130 7.537 -1.600 1.00 0.01 N ATOM 877 CD2 HIS A 57 1.638 9.599 -2.195 1.00 0.01 C ATOM 878 CE1 HIS A 57 1.190 7.510 -2.562 1.00 0.02 C ATOM 879 NE2 HIS A 57 0.854 8.740 -2.961 1.00 0.01 N ATOM 0 H HIS A 57 4.286 10.205 1.862 1.00 0.02 H new ATOM 0 HA HIS A 57 2.020 8.569 1.150 1.00 0.02 H new ATOM 0 HB2 HIS A 57 3.447 10.364 -0.205 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.443 8.984 -0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.624 10.677 -2.258 1.00 0.01 H new ATOM 0 HE1 HIS A 57 0.759 6.604 -2.963 1.00 0.02 H new ATOM 0 HE2 HIS A 57 0.170 8.995 -3.674 1.00 0.01 H new ATOM 887 N MET A 58 2.845 6.208 0.840 1.00 0.02 N ATOM 888 CA MET A 58 3.313 4.782 0.866 1.00 0.02 C ATOM 889 C MET A 58 3.114 4.139 -0.515 1.00 0.01 C ATOM 890 O MET A 58 2.104 4.328 -1.163 1.00 0.01 O ATOM 891 CB MET A 58 2.498 4.006 1.903 1.00 2.61 C ATOM 892 CG MET A 58 1.032 3.957 1.467 1.00 3.46 C ATOM 893 SD MET A 58 0.003 3.442 2.864 1.00 4.50 S ATOM 894 CE MET A 58 0.355 1.670 2.761 1.00 5.01 C ATOM 0 H MET A 58 1.857 6.328 0.615 1.00 0.02 H new ATOM 0 HA MET A 58 4.371 4.756 1.125 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.891 2.995 2.008 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.582 4.484 2.879 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.715 4.937 1.110 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.912 3.261 0.637 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.554 1.134 2.489 1.00 5.01 H new ATOM 0 HE2 MET A 58 1.120 1.494 2.004 1.00 5.01 H new ATOM 0 HE3 MET A 58 0.712 1.313 3.727 1.00 5.01 H new ATOM 904 N TYR A 59 4.081 3.379 -0.963 1.00 0.02 N ATOM 905 CA TYR A 59 3.986 2.701 -2.303 1.00 0.01 C ATOM 906 C TYR A 59 4.417 1.231 -2.173 1.00 0.01 C ATOM 907 O TYR A 59 5.373 0.912 -1.498 1.00 0.02 O ATOM 908 CB TYR A 59 4.928 3.388 -3.291 1.00 0.01 C ATOM 909 CG TYR A 59 4.381 4.743 -3.671 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.498 4.863 -4.751 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.765 5.881 -2.951 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.001 6.119 -5.112 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.265 7.137 -3.312 1.00 0.01 C ATOM 914 CZ TYR A 59 3.384 7.257 -4.393 1.00 0.01 C ATOM 915 OH TYR A 59 2.893 8.496 -4.749 1.00 0.01 O ATOM 0 H TYR A 59 4.946 3.194 -0.454 1.00 0.02 H new ATOM 0 HA TYR A 59 2.956 2.761 -2.655 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.917 3.498 -2.846 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.046 2.772 -4.182 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.201 3.985 -5.305 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.446 5.789 -2.118 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.321 6.211 -5.946 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.559 8.015 -2.756 1.00 0.01 H new ATOM 0 HH TYR A 59 1.954 8.566 -4.477 1.00 0.01 H new ATOM 925 N ILE A 60 3.722 0.340 -2.846 1.00 0.02 N ATOM 926 CA ILE A 60 4.082 -1.118 -2.807 1.00 0.01 C ATOM 927 C ILE A 60 4.948 -1.441 -4.038 1.00 0.01 C ATOM 928 O ILE A 60 4.623 -1.059 -5.145 1.00 0.01 O ATOM 929 CB ILE A 60 2.795 -1.977 -2.830 1.00 0.45 C ATOM 930 CG1 ILE A 60 2.125 -1.982 -1.438 1.00 1.35 C ATOM 931 CG2 ILE A 60 3.141 -3.423 -3.224 1.00 1.21 C ATOM 932 CD1 ILE A 60 1.267 -0.729 -1.263 1.00 1.72 C ATOM 0 H ILE A 60 2.913 0.563 -3.426 1.00 0.02 H new ATOM 0 HA ILE A 60 4.634 -1.341 -1.894 1.00 0.01 H new ATOM 0 HB ILE A 60 2.107 -1.548 -3.559 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.508 -2.873 -1.326 1.00 1.35 H new ATOM 0 HG13 ILE A 60 2.887 -2.022 -0.659 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.232 -4.024 -3.239 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.597 -3.431 -4.214 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.840 -3.840 -2.499 1.00 1.21 H new ATOM 0 HD11 ILE A 60 0.799 -0.743 -0.278 1.00 1.72 H new ATOM 0 HD12 ILE A 60 1.895 0.157 -1.354 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.494 -0.707 -2.031 1.00 1.72 H new ATOM 944 N LEU A 61 6.053 -2.129 -3.847 1.00 0.01 N ATOM 945 CA LEU A 61 6.957 -2.468 -5.003 1.00 0.01 C ATOM 946 C LEU A 61 7.151 -4.005 -5.114 1.00 0.01 C ATOM 947 O LEU A 61 7.786 -4.598 -4.262 1.00 0.00 O ATOM 948 CB LEU A 61 8.332 -1.806 -4.760 1.00 0.01 C ATOM 949 CG LEU A 61 8.381 -0.399 -5.390 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.681 0.288 -4.966 1.00 0.01 C ATOM 951 CD2 LEU A 61 8.325 -0.491 -6.935 1.00 0.01 C ATOM 0 H LEU A 61 6.370 -2.472 -2.940 1.00 0.01 H new ATOM 0 HA LEU A 61 6.508 -2.104 -5.927 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.523 -1.737 -3.689 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.120 -2.427 -5.185 1.00 0.01 H new ATOM 0 HG LEU A 61 7.521 0.176 -5.047 1.00 0.02 H new ATOM 0 HD11 LEU A 61 9.726 1.284 -5.406 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.712 0.369 -3.879 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.532 -0.300 -5.310 1.00 0.01 H new ATOM 0 HD21 LEU A 61 8.361 0.512 -7.361 1.00 0.01 H new ATOM 0 HD22 LEU A 61 9.176 -1.069 -7.296 1.00 0.01 H new ATOM 0 HD23 LEU A 61 7.399 -0.981 -7.237 1.00 0.01 H new ATOM 963 N PRO A 62 6.651 -4.661 -6.157 1.00 0.02 N ATOM 964 CA PRO A 62 6.873 -6.128 -6.306 1.00 0.01 C ATOM 965 C PRO A 62 8.297 -6.406 -6.817 1.00 0.00 C ATOM 966 O PRO A 62 9.013 -5.500 -7.197 1.00 0.02 O ATOM 967 CB PRO A 62 5.813 -6.517 -7.346 1.00 1.47 C ATOM 968 CG PRO A 62 5.384 -5.235 -8.080 1.00 1.29 C ATOM 969 CD PRO A 62 5.834 -4.025 -7.237 1.00 0.82 C ATOM 0 HA PRO A 62 6.785 -6.690 -5.376 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.217 -7.244 -8.051 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.956 -6.985 -6.862 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.834 -5.196 -9.072 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.303 -5.220 -8.220 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.420 -3.318 -7.824 1.00 0.82 H new ATOM 0 HD3 PRO A 62 4.984 -3.476 -6.832 1.00 0.82 H new ATOM 977 N GLN A 63 8.716 -7.642 -6.827 1.00 0.02 N ATOM 978 CA GLN A 63 10.093 -7.962 -7.309 1.00 0.00 C ATOM 979 C GLN A 63 10.326 -7.369 -8.704 1.00 0.00 C ATOM 980 O GLN A 63 9.451 -7.394 -9.546 1.00 0.02 O ATOM 981 CB GLN A 63 10.259 -9.482 -7.375 1.00 1.27 C ATOM 982 CG GLN A 63 11.734 -9.828 -7.588 1.00 1.67 C ATOM 983 CD GLN A 63 11.867 -11.312 -7.929 1.00 2.43 C ATOM 984 OE1 GLN A 63 10.907 -12.133 -7.600 1.00 4.25 O flip ATOM 985 NE2 GLN A 63 12.852 -11.730 -8.503 1.00 3.04 N flip ATOM 0 H GLN A 63 8.166 -8.445 -6.523 1.00 0.02 H new ATOM 0 HA GLN A 63 10.818 -7.532 -6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.897 -9.938 -6.453 1.00 1.27 H new ATOM 0 HB3 GLN A 63 9.658 -9.889 -8.189 1.00 1.27 H new ATOM 0 HG2 GLN A 63 12.148 -9.221 -8.393 1.00 1.67 H new ATOM 0 HG3 GLN A 63 12.306 -9.598 -6.689 1.00 1.67 H new ATOM 0 HE21 GLN A 63 13.603 -11.089 -8.760 1.00 3.04 H new ATOM 0 HE22 GLN A 63 12.929 -12.722 -8.728 1.00 3.04 H new ATOM 994 N GLY A 64 11.498 -6.840 -8.963 1.00 0.02 N ATOM 995 CA GLY A 64 11.758 -6.260 -10.316 1.00 0.01 C ATOM 996 C GLY A 64 12.866 -5.201 -10.251 1.00 0.02 C ATOM 997 O GLY A 64 13.446 -4.947 -9.214 1.00 0.02 O ATOM 0 H GLY A 64 12.276 -6.785 -8.305 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.046 -7.052 -11.007 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.844 -5.813 -10.707 1.00 0.01 H new ATOM 1001 N GLU A 65 13.167 -4.585 -11.371 1.00 0.02 N ATOM 1002 CA GLU A 65 14.241 -3.539 -11.419 1.00 0.02 C ATOM 1003 C GLU A 65 13.647 -2.202 -11.877 1.00 0.02 C ATOM 1004 O GLU A 65 12.953 -2.122 -12.872 1.00 0.02 O ATOM 1005 CB GLU A 65 15.310 -3.976 -12.422 1.00 0.77 C ATOM 1006 CG GLU A 65 16.551 -3.093 -12.265 1.00 0.49 C ATOM 1007 CD GLU A 65 17.452 -3.257 -13.492 1.00 0.67 C ATOM 1008 OE1 GLU A 65 16.923 -3.289 -14.591 1.00 0.71 O ATOM 1009 OE2 GLU A 65 18.656 -3.349 -13.310 1.00 0.96 O ATOM 0 H GLU A 65 12.709 -4.765 -12.264 1.00 0.02 H new ATOM 0 HA GLU A 65 14.676 -3.420 -10.427 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.572 -5.021 -12.258 1.00 0.77 H new ATOM 0 HB3 GLU A 65 14.923 -3.900 -13.438 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.256 -2.050 -12.154 1.00 0.49 H new ATOM 0 HG3 GLU A 65 17.095 -3.369 -11.362 1.00 0.49 H new ATOM 1016 N TYR A 66 13.947 -1.147 -11.156 1.00 0.02 N ATOM 1017 CA TYR A 66 13.447 0.215 -11.518 1.00 0.02 C ATOM 1018 C TYR A 66 14.675 1.127 -11.724 1.00 0.02 C ATOM 1019 O TYR A 66 15.238 1.612 -10.760 1.00 0.02 O ATOM 1020 CB TYR A 66 12.610 0.749 -10.352 1.00 0.01 C ATOM 1021 CG TYR A 66 11.409 -0.145 -10.157 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.509 -1.285 -9.349 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.196 0.160 -10.788 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.397 -2.118 -9.174 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.085 -0.674 -10.612 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.186 -1.813 -9.804 1.00 0.02 C ATOM 1027 OH TYR A 66 8.090 -2.635 -9.631 1.00 0.01 O ATOM 0 H TYR A 66 14.527 -1.175 -10.318 1.00 0.02 H new ATOM 0 HA TYR A 66 12.840 0.185 -12.423 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.209 0.779 -9.442 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.289 1.771 -10.556 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.443 -1.521 -8.861 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.118 1.039 -11.411 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.475 -2.997 -8.552 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.150 -0.439 -11.099 1.00 0.02 H new ATOM 0 HH TYR A 66 7.330 -2.278 -10.137 1.00 0.01 H new ATOM 1037 N PRO A 67 15.119 1.346 -12.953 1.00 0.01 N ATOM 1038 CA PRO A 67 16.323 2.195 -13.189 1.00 0.02 C ATOM 1039 C PRO A 67 16.090 3.690 -12.916 1.00 0.02 C ATOM 1040 O PRO A 67 17.010 4.479 -12.989 1.00 0.02 O ATOM 1041 CB PRO A 67 16.638 1.934 -14.677 1.00 0.02 C ATOM 1042 CG PRO A 67 15.461 1.151 -15.295 1.00 0.02 C ATOM 1043 CD PRO A 67 14.476 0.773 -14.171 1.00 0.01 C ATOM 0 HA PRO A 67 17.138 1.942 -12.510 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.785 2.877 -15.204 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.564 1.367 -14.775 1.00 0.02 H new ATOM 0 HG2 PRO A 67 14.959 1.756 -16.050 1.00 0.02 H new ATOM 0 HG3 PRO A 67 15.825 0.254 -15.796 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.487 1.197 -14.342 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.350 -0.307 -14.091 1.00 0.01 H new ATOM 1051 N GLU A 68 14.895 4.094 -12.583 1.00 0.01 N ATOM 1052 CA GLU A 68 14.663 5.541 -12.294 1.00 0.01 C ATOM 1053 C GLU A 68 13.418 5.657 -11.418 1.00 0.03 C ATOM 1054 O GLU A 68 12.567 4.791 -11.394 1.00 0.02 O ATOM 1055 CB GLU A 68 14.436 6.313 -13.599 1.00 0.69 C ATOM 1056 CG GLU A 68 15.740 6.393 -14.397 1.00 1.09 C ATOM 1057 CD GLU A 68 15.607 7.454 -15.490 1.00 1.35 C ATOM 1058 OE1 GLU A 68 14.501 7.925 -15.703 1.00 2.02 O ATOM 1059 OE2 GLU A 68 16.613 7.778 -16.099 1.00 1.55 O ATOM 0 H GLU A 68 14.075 3.493 -12.499 1.00 0.01 H new ATOM 0 HA GLU A 68 15.533 5.960 -11.787 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.667 5.820 -14.193 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.074 7.317 -13.378 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.569 6.641 -13.734 1.00 1.09 H new ATOM 0 HG3 GLU A 68 15.966 5.424 -14.842 1.00 1.09 H new ATOM 1066 N TYR A 69 13.335 6.714 -10.663 1.00 0.02 N ATOM 1067 CA TYR A 69 12.185 6.880 -9.734 1.00 0.02 C ATOM 1068 C TYR A 69 10.850 6.896 -10.481 1.00 0.01 C ATOM 1069 O TYR A 69 9.869 6.340 -10.026 1.00 0.01 O ATOM 1070 CB TYR A 69 12.367 8.159 -8.913 1.00 0.02 C ATOM 1071 CG TYR A 69 12.413 9.357 -9.834 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.604 9.689 -10.489 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.266 10.134 -10.029 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.649 10.799 -11.341 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.310 11.246 -10.881 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.502 11.577 -11.537 1.00 0.02 C ATOM 1077 OH TYR A 69 12.547 12.671 -12.376 1.00 0.01 O ATOM 0 H TYR A 69 14.016 7.473 -10.649 1.00 0.02 H new ATOM 0 HA TYR A 69 12.162 6.023 -9.061 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.547 8.266 -8.203 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.287 8.101 -8.331 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.489 9.089 -10.337 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.347 9.877 -9.523 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.568 11.055 -11.847 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.425 11.847 -11.031 1.00 0.02 H new ATOM 0 HH TYR A 69 11.666 13.100 -12.401 1.00 0.01 H new ATOM 1087 N GLN A 70 10.799 7.527 -11.623 1.00 0.01 N ATOM 1088 CA GLN A 70 9.529 7.574 -12.400 1.00 0.02 C ATOM 1089 C GLN A 70 9.068 6.156 -12.761 1.00 0.01 C ATOM 1090 O GLN A 70 7.900 5.908 -12.987 1.00 0.02 O ATOM 1091 CB GLN A 70 9.758 8.366 -13.690 1.00 0.01 C ATOM 1092 CG GLN A 70 10.231 9.779 -13.343 1.00 0.01 C ATOM 1093 CD GLN A 70 10.128 10.671 -14.581 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.536 11.730 -14.531 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.681 10.284 -15.696 1.00 0.02 N ATOM 0 H GLN A 70 11.586 8.014 -12.052 1.00 0.01 H new ATOM 0 HA GLN A 70 8.762 8.053 -11.792 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.501 7.864 -14.310 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.836 8.412 -14.270 1.00 0.01 H new ATOM 0 HG2 GLN A 70 9.624 10.189 -12.535 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.261 9.752 -12.986 1.00 0.01 H new ATOM 0 HE21 GLN A 70 11.178 9.394 -15.737 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.617 10.871 -16.528 1.00 0.02 H new ATOM 1104 N ARG A 71 9.986 5.222 -12.809 1.00 0.01 N ATOM 1105 CA ARG A 71 9.605 3.820 -13.149 1.00 0.02 C ATOM 1106 C ARG A 71 8.814 3.226 -11.982 1.00 0.01 C ATOM 1107 O ARG A 71 8.112 2.244 -12.119 1.00 0.02 O ATOM 1108 CB ARG A 71 10.866 2.983 -13.405 1.00 0.34 C ATOM 1109 CG ARG A 71 10.496 1.685 -14.151 1.00 0.72 C ATOM 1110 CD ARG A 71 10.487 1.926 -15.667 1.00 1.04 C ATOM 1111 NE ARG A 71 9.662 0.879 -16.330 1.00 1.67 N ATOM 1112 CZ ARG A 71 9.269 1.041 -17.564 1.00 2.47 C ATOM 1113 NH1 ARG A 71 9.602 2.120 -18.218 1.00 2.54 N ATOM 1114 NH2 ARG A 71 8.546 0.124 -18.145 1.00 3.42 N ATOM 0 H ARG A 71 10.979 5.371 -12.628 1.00 0.01 H new ATOM 0 HA ARG A 71 8.992 3.813 -14.051 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.581 3.559 -13.993 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.351 2.743 -12.459 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.211 0.900 -13.905 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.516 1.337 -13.825 1.00 0.72 H new ATOM 0 HD2 ARG A 71 10.084 2.915 -15.887 1.00 1.04 H new ATOM 0 HD3 ARG A 71 11.505 1.903 -16.056 1.00 1.04 H new ATOM 0 HE ARG A 71 9.404 0.035 -15.820 1.00 1.67 H new ATOM 0 HH11 ARG A 71 10.169 2.836 -17.765 1.00 2.54 H new ATOM 0 HH12 ARG A 71 9.295 2.247 -19.182 1.00 2.54 H new ATOM 0 HH21 ARG A 71 8.287 -0.721 -17.635 1.00 3.42 H new ATOM 0 HH22 ARG A 71 8.239 0.251 -19.109 1.00 3.42 H new ATOM 1128 N TRP A 72 8.933 3.836 -10.832 1.00 0.02 N ATOM 1129 CA TRP A 72 8.211 3.362 -9.615 1.00 0.01 C ATOM 1130 C TRP A 72 7.087 4.367 -9.323 1.00 0.01 C ATOM 1131 O TRP A 72 6.448 4.335 -8.291 1.00 0.02 O ATOM 1132 CB TRP A 72 9.241 3.289 -8.463 1.00 0.02 C ATOM 1133 CG TRP A 72 8.617 3.548 -7.126 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.657 2.790 -6.550 1.00 0.01 C ATOM 1135 CD2 TRP A 72 8.906 4.624 -6.188 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.337 3.334 -5.321 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.079 4.467 -5.053 1.00 0.02 C ATOM 1138 CE3 TRP A 72 9.797 5.714 -6.214 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.132 5.357 -3.980 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 9.853 6.612 -5.135 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.021 6.433 -4.021 1.00 0.02 C ATOM 0 H TRP A 72 9.514 4.661 -10.683 1.00 0.02 H new ATOM 0 HA TRP A 72 7.765 2.375 -9.742 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.709 2.305 -8.459 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.033 4.017 -8.639 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.213 1.904 -6.980 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.637 2.946 -4.688 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.441 5.861 -7.068 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.490 5.215 -3.123 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.540 7.444 -5.164 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.068 7.127 -3.195 1.00 0.02 H new ATOM 1152 N MET A 73 6.850 5.259 -10.246 1.00 0.02 N ATOM 1153 CA MET A 73 5.780 6.285 -10.066 1.00 0.02 C ATOM 1154 C MET A 73 6.075 7.152 -8.836 1.00 0.01 C ATOM 1155 O MET A 73 5.193 7.757 -8.261 1.00 0.02 O ATOM 1156 CB MET A 73 4.422 5.597 -9.891 1.00 0.02 C ATOM 1157 CG MET A 73 4.277 4.471 -10.918 1.00 0.01 C ATOM 1158 SD MET A 73 4.608 5.116 -12.577 1.00 0.01 S ATOM 1159 CE MET A 73 4.022 3.675 -13.502 1.00 0.01 C ATOM 0 H MET A 73 7.358 5.322 -11.128 1.00 0.02 H new ATOM 0 HA MET A 73 5.755 6.920 -10.952 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.335 5.195 -8.882 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.618 6.322 -10.016 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.970 3.662 -10.686 1.00 0.01 H new ATOM 0 HG3 MET A 73 3.272 4.052 -10.874 1.00 0.01 H new ATOM 0 HE1 MET A 73 4.136 3.858 -14.571 1.00 0.01 H new ATOM 0 HE2 MET A 73 4.606 2.799 -13.220 1.00 0.01 H new ATOM 0 HE3 MET A 73 2.971 3.499 -13.274 1.00 0.01 H new ATOM 1169 N GLY A 74 7.318 7.212 -8.435 1.00 0.02 N ATOM 1170 CA GLY A 74 7.687 8.032 -7.248 1.00 0.02 C ATOM 1171 C GLY A 74 7.332 9.494 -7.507 1.00 0.01 C ATOM 1172 O GLY A 74 7.474 9.991 -8.607 1.00 0.01 O ATOM 0 H GLY A 74 8.095 6.726 -8.882 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.160 7.670 -6.365 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.754 7.937 -7.044 1.00 0.02 H new ATOM 1176 N LEU A 75 6.913 10.203 -6.493 1.00 0.02 N ATOM 1177 CA LEU A 75 6.600 11.648 -6.684 1.00 0.02 C ATOM 1178 C LEU A 75 7.923 12.425 -6.664 1.00 0.01 C ATOM 1179 O LEU A 75 8.076 13.433 -7.322 1.00 0.02 O ATOM 1180 CB LEU A 75 5.678 12.134 -5.563 1.00 0.55 C ATOM 1181 CG LEU A 75 4.581 11.095 -5.319 1.00 0.58 C ATOM 1182 CD1 LEU A 75 3.593 11.631 -4.281 1.00 0.98 C ATOM 1183 CD2 LEU A 75 3.840 10.813 -6.631 1.00 0.42 C ATOM 0 H LEU A 75 6.775 9.847 -5.547 1.00 0.02 H new ATOM 0 HA LEU A 75 6.089 11.806 -7.634 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.251 12.295 -4.650 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.233 13.092 -5.833 1.00 0.55 H new ATOM 0 HG LEU A 75 5.031 10.173 -4.951 1.00 0.58 H new ATOM 0 HD11 LEU A 75 2.811 10.891 -4.107 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.119 11.830 -3.347 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.144 12.554 -4.649 1.00 0.98 H new ATOM 0 HD21 LEU A 75 3.059 10.073 -6.456 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.390 11.735 -7.000 1.00 0.42 H new ATOM 0 HD23 LEU A 75 4.543 10.431 -7.371 1.00 0.42 H new ATOM 1195 N ASN A 76 8.892 11.936 -5.930 1.00 0.01 N ATOM 1196 CA ASN A 76 10.229 12.583 -5.858 1.00 0.02 C ATOM 1197 C ASN A 76 11.216 11.492 -5.428 1.00 0.02 C ATOM 1198 O ASN A 76 10.862 10.331 -5.385 1.00 0.02 O ATOM 1199 CB ASN A 76 10.207 13.721 -4.833 1.00 0.02 C ATOM 1200 CG ASN A 76 9.066 14.683 -5.163 1.00 0.02 C ATOM 1201 OD1 ASN A 76 8.042 14.679 -4.507 1.00 0.01 O ATOM 1202 ND2 ASN A 76 9.196 15.512 -6.162 1.00 0.02 N ATOM 0 H ASN A 76 8.804 11.092 -5.364 1.00 0.01 H new ATOM 0 HA ASN A 76 10.516 13.013 -6.818 1.00 0.02 H new ATOM 0 HB2 ASN A 76 10.078 13.318 -3.829 1.00 0.02 H new ATOM 0 HB3 ASN A 76 11.159 14.252 -4.843 1.00 0.02 H new ATOM 0 HD21 ASN A 76 8.439 16.156 -6.392 1.00 0.02 H new ATOM 0 HD22 ASN A 76 10.054 15.516 -6.713 1.00 0.02 H new ATOM 1209 N ASP A 77 12.445 11.827 -5.123 1.00 0.01 N ATOM 1210 CA ASP A 77 13.428 10.768 -4.718 1.00 0.01 C ATOM 1211 C ASP A 77 13.563 10.705 -3.193 1.00 0.01 C ATOM 1212 O ASP A 77 14.608 10.357 -2.679 1.00 0.01 O ATOM 1213 CB ASP A 77 14.797 11.096 -5.318 1.00 0.01 C ATOM 1214 CG ASP A 77 15.148 12.555 -5.023 1.00 0.01 C ATOM 1215 OD1 ASP A 77 15.080 12.939 -3.866 1.00 0.01 O ATOM 1216 OD2 ASP A 77 15.479 13.265 -5.959 1.00 0.02 O ATOM 0 H ASP A 77 12.811 12.779 -5.136 1.00 0.01 H new ATOM 0 HA ASP A 77 13.069 9.806 -5.083 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.557 10.436 -4.899 1.00 0.01 H new ATOM 0 HB3 ASP A 77 14.785 10.925 -6.394 1.00 0.01 H new ATOM 1221 N ARG A 78 12.534 11.053 -2.456 1.00 0.01 N ATOM 1222 CA ARG A 78 12.639 11.027 -0.961 1.00 0.01 C ATOM 1223 C ARG A 78 12.071 9.722 -0.389 1.00 0.02 C ATOM 1224 O ARG A 78 10.919 9.391 -0.589 1.00 0.02 O ATOM 1225 CB ARG A 78 11.878 12.221 -0.379 1.00 0.43 C ATOM 1226 CG ARG A 78 12.421 13.517 -0.985 1.00 0.80 C ATOM 1227 CD ARG A 78 11.572 14.698 -0.512 1.00 1.00 C ATOM 1228 NE ARG A 78 10.240 14.650 -1.177 1.00 1.30 N ATOM 1229 CZ ARG A 78 9.253 15.369 -0.716 1.00 2.30 C ATOM 1230 NH1 ARG A 78 9.435 16.136 0.324 1.00 2.72 N ATOM 1231 NH2 ARG A 78 8.087 15.324 -1.298 1.00 3.20 N ATOM 0 H ARG A 78 11.630 11.352 -2.822 1.00 0.01 H new ATOM 0 HA ARG A 78 13.692 11.087 -0.687 1.00 0.01 H new ATOM 0 HB2 ARG A 78 10.813 12.126 -0.592 1.00 0.43 H new ATOM 0 HB3 ARG A 78 11.986 12.241 0.705 1.00 0.43 H new ATOM 0 HG2 ARG A 78 13.460 13.661 -0.689 1.00 0.80 H new ATOM 0 HG3 ARG A 78 12.405 13.457 -2.073 1.00 0.80 H new ATOM 0 HD2 ARG A 78 11.451 14.662 0.571 1.00 1.00 H new ATOM 0 HD3 ARG A 78 12.074 15.637 -0.746 1.00 1.00 H new ATOM 0 HE ARG A 78 10.099 14.055 -1.993 1.00 1.30 H new ATOM 0 HH11 ARG A 78 10.348 16.174 0.776 1.00 2.72 H new ATOM 0 HH12 ARG A 78 8.664 16.698 0.684 1.00 2.72 H new ATOM 0 HH21 ARG A 78 7.947 14.727 -2.113 1.00 3.20 H new ATOM 0 HH22 ARG A 78 7.315 15.886 -0.938 1.00 3.20 H new ATOM 1245 N LEU A 79 12.872 8.996 0.348 1.00 0.01 N ATOM 1246 CA LEU A 79 12.406 7.721 0.981 1.00 0.01 C ATOM 1247 C LEU A 79 13.033 7.641 2.371 1.00 0.01 C ATOM 1248 O LEU A 79 14.241 7.649 2.508 1.00 0.02 O ATOM 1249 CB LEU A 79 12.875 6.525 0.148 1.00 1.04 C ATOM 1250 CG LEU A 79 12.106 6.471 -1.181 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.668 5.333 -2.041 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.601 6.234 -0.919 1.00 2.61 C ATOM 0 H LEU A 79 13.844 9.235 0.542 1.00 0.01 H new ATOM 0 HA LEU A 79 11.318 7.702 1.041 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.945 6.604 -0.045 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.719 5.601 0.705 1.00 1.04 H new ATOM 0 HG LEU A 79 12.223 7.420 -1.703 1.00 1.85 H new ATOM 0 HD11 LEU A 79 12.126 5.289 -2.986 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.725 5.513 -2.237 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.553 4.387 -1.513 1.00 2.40 H new ATOM 0 HD21 LEU A 79 10.068 6.198 -1.869 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.468 5.289 -0.392 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.205 7.048 -0.311 1.00 2.61 H new ATOM 1264 N GLY A 80 12.231 7.606 3.410 1.00 0.02 N ATOM 1265 CA GLY A 80 12.785 7.580 4.801 1.00 0.02 C ATOM 1266 C GLY A 80 12.600 6.216 5.481 1.00 0.02 C ATOM 1267 O GLY A 80 13.274 5.924 6.449 1.00 0.01 O ATOM 0 H GLY A 80 11.213 7.594 3.353 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.846 7.827 4.771 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.296 8.350 5.398 1.00 0.02 H new ATOM 1271 N SER A 81 11.710 5.373 5.017 1.00 0.01 N ATOM 1272 CA SER A 81 11.538 4.051 5.708 1.00 0.01 C ATOM 1273 C SER A 81 10.948 3.009 4.759 1.00 0.02 C ATOM 1274 O SER A 81 10.292 3.325 3.786 1.00 0.01 O ATOM 1275 CB SER A 81 10.607 4.226 6.902 1.00 0.01 C ATOM 1276 OG SER A 81 10.168 2.950 7.344 1.00 0.01 O ATOM 0 H SER A 81 11.107 5.534 4.210 1.00 0.01 H new ATOM 0 HA SER A 81 12.517 3.704 6.038 1.00 0.01 H new ATOM 0 HB2 SER A 81 11.125 4.745 7.709 1.00 0.01 H new ATOM 0 HB3 SER A 81 9.752 4.842 6.624 1.00 0.01 H new ATOM 0 HG SER A 81 9.474 3.061 8.027 1.00 0.01 H new ATOM 1282 N CYS A 82 11.181 1.749 5.048 1.00 0.02 N ATOM 1283 CA CYS A 82 10.639 0.663 4.171 1.00 0.01 C ATOM 1284 C CYS A 82 10.266 -0.566 5.007 1.00 0.01 C ATOM 1285 O CYS A 82 10.888 -0.868 6.005 1.00 0.01 O ATOM 1286 CB CYS A 82 11.692 0.272 3.134 1.00 0.01 C ATOM 1287 SG CYS A 82 13.280 -0.001 3.959 1.00 0.02 S ATOM 0 H CYS A 82 11.722 1.428 5.851 1.00 0.02 H new ATOM 0 HA CYS A 82 9.744 1.031 3.669 1.00 0.01 H new ATOM 0 HB2 CYS A 82 11.383 -0.632 2.609 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.790 1.058 2.385 1.00 0.01 H new ATOM 0 HG CYS A 82 13.072 -0.409 5.176 1.00 0.02 H new ATOM 1293 N ARG A 83 9.254 -1.286 4.586 1.00 0.01 N ATOM 1294 CA ARG A 83 8.823 -2.513 5.331 1.00 0.01 C ATOM 1295 C ARG A 83 8.522 -3.628 4.328 1.00 0.01 C ATOM 1296 O ARG A 83 7.986 -3.396 3.263 1.00 0.01 O ATOM 1297 CB ARG A 83 7.535 -2.221 6.107 1.00 0.01 C ATOM 1298 CG ARG A 83 7.822 -1.215 7.223 1.00 0.01 C ATOM 1299 CD ARG A 83 6.609 -1.132 8.153 1.00 0.01 C ATOM 1300 NE ARG A 83 6.307 -2.483 8.703 1.00 0.01 N ATOM 1301 CZ ARG A 83 5.512 -2.606 9.732 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.989 -1.545 10.284 1.00 0.01 N ATOM 1303 NH2 ARG A 83 5.238 -3.791 10.209 1.00 0.01 N ATOM 0 H ARG A 83 8.704 -1.076 3.753 1.00 0.01 H new ATOM 0 HA ARG A 83 9.618 -2.810 6.016 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.775 -1.825 5.433 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.136 -3.143 6.529 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.705 -1.520 7.785 1.00 0.01 H new ATOM 0 HG3 ARG A 83 8.037 -0.234 6.798 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.809 -0.434 8.966 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.746 -0.749 7.608 1.00 0.01 H new ATOM 0 HE ARG A 83 6.721 -3.312 8.276 1.00 0.01 H new ATOM 0 HH11 ARG A 83 5.201 -0.619 9.912 1.00 0.01 H new ATOM 0 HH12 ARG A 83 4.368 -1.642 11.088 1.00 0.01 H new ATOM 0 HH21 ARG A 83 5.645 -4.621 9.778 1.00 0.01 H new ATOM 0 HH22 ARG A 83 4.617 -3.886 11.013 1.00 0.01 H new ATOM 1317 N ALA A 84 8.867 -4.844 4.660 1.00 0.01 N ATOM 1318 CA ALA A 84 8.604 -5.972 3.726 1.00 0.01 C ATOM 1319 C ALA A 84 7.128 -6.370 3.808 1.00 0.01 C ATOM 1320 O ALA A 84 6.586 -6.575 4.874 1.00 0.00 O ATOM 1321 CB ALA A 84 9.473 -7.171 4.116 1.00 0.43 C ATOM 0 H ALA A 84 9.319 -5.102 5.537 1.00 0.01 H new ATOM 0 HA ALA A 84 8.843 -5.662 2.709 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.281 -7.998 3.432 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.525 -6.891 4.060 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.233 -7.479 5.134 1.00 0.43 H new ATOM 1327 N VAL A 85 6.486 -6.500 2.677 1.00 0.01 N ATOM 1328 CA VAL A 85 5.052 -6.909 2.658 1.00 0.01 C ATOM 1329 C VAL A 85 4.982 -8.433 2.576 1.00 0.01 C ATOM 1330 O VAL A 85 5.537 -9.033 1.677 1.00 0.01 O ATOM 1331 CB VAL A 85 4.351 -6.299 1.441 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.842 -6.539 1.547 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.619 -4.791 1.394 1.00 1.12 C ATOM 0 H VAL A 85 6.898 -6.339 1.758 1.00 0.01 H new ATOM 0 HA VAL A 85 4.556 -6.557 3.563 1.00 0.01 H new ATOM 0 HB VAL A 85 4.735 -6.766 0.534 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.343 -6.105 0.681 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.645 -7.611 1.580 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.462 -6.073 2.456 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.119 -4.359 0.527 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.237 -4.325 2.302 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.692 -4.614 1.319 1.00 1.12 H new ATOM 1343 N HIS A 86 4.304 -9.070 3.490 1.00 0.01 N ATOM 1344 CA HIS A 86 4.204 -10.556 3.439 1.00 0.01 C ATOM 1345 C HIS A 86 2.938 -10.932 2.674 1.00 0.01 C ATOM 1346 O HIS A 86 1.868 -10.417 2.929 1.00 0.00 O ATOM 1347 CB HIS A 86 4.119 -11.114 4.861 1.00 0.21 C ATOM 1348 CG HIS A 86 5.362 -10.743 5.620 1.00 0.71 C ATOM 1349 ND1 HIS A 86 6.403 -11.638 5.817 1.00 1.26 N ATOM 1350 CD2 HIS A 86 5.749 -9.577 6.236 1.00 1.20 C ATOM 1351 CE1 HIS A 86 7.356 -11.003 6.525 1.00 1.77 C ATOM 1352 NE2 HIS A 86 7.008 -9.744 6.806 1.00 1.71 N ATOM 0 H HIS A 86 3.816 -8.627 4.268 1.00 0.01 H new ATOM 0 HA HIS A 86 5.082 -10.970 2.943 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.239 -10.717 5.367 1.00 0.21 H new ATOM 0 HB3 HIS A 86 4.008 -12.198 4.832 1.00 0.21 H new ATOM 0 HD2 HIS A 86 5.165 -8.669 6.272 1.00 1.20 H new ATOM 0 HE1 HIS A 86 8.288 -11.456 6.829 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.549 -9.053 7.327 1.00 1.71 H new ATOM 1360 N LEU A 87 3.055 -11.832 1.733 1.00 0.01 N ATOM 1361 CA LEU A 87 1.867 -12.257 0.938 1.00 0.01 C ATOM 1362 C LEU A 87 1.309 -13.534 1.563 1.00 0.01 C ATOM 1363 O LEU A 87 2.050 -14.416 1.949 1.00 0.01 O ATOM 1364 CB LEU A 87 2.305 -12.542 -0.513 1.00 0.67 C ATOM 1365 CG LEU A 87 3.427 -11.584 -0.925 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.779 -11.823 -2.395 1.00 1.63 C ATOM 1367 CD2 LEU A 87 2.962 -10.136 -0.742 1.00 1.34 C ATOM 0 H LEU A 87 3.929 -12.293 1.480 1.00 0.01 H new ATOM 0 HA LEU A 87 1.107 -11.475 0.936 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.647 -13.573 -0.601 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.455 -12.429 -1.186 1.00 0.67 H new ATOM 0 HG LEU A 87 4.304 -11.762 -0.303 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.577 -11.143 -2.693 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.111 -12.853 -2.527 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.900 -11.643 -3.014 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.762 -9.457 -1.036 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.085 -9.954 -1.364 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.707 -9.965 0.304 1.00 1.34 H new ATOM 1379 N SER A 88 0.009 -13.651 1.642 1.00 0.01 N ATOM 1380 CA SER A 88 -0.620 -14.880 2.212 1.00 0.01 C ATOM 1381 C SER A 88 -1.316 -15.640 1.086 1.00 0.01 C ATOM 1382 O SER A 88 -2.166 -15.087 0.417 1.00 0.01 O ATOM 1383 CB SER A 88 -1.653 -14.486 3.269 1.00 0.81 C ATOM 1384 OG SER A 88 -2.651 -13.671 2.668 1.00 1.08 O ATOM 0 H SER A 88 -0.652 -12.938 1.332 1.00 0.01 H new ATOM 0 HA SER A 88 0.144 -15.506 2.673 1.00 0.01 H new ATOM 0 HB2 SER A 88 -2.107 -15.378 3.701 1.00 0.81 H new ATOM 0 HB3 SER A 88 -1.169 -13.948 4.084 1.00 0.81 H new ATOM 0 HG SER A 88 -2.761 -13.928 1.729 1.00 1.08 H new ATOM 1390 N SER A 89 -1.030 -16.899 0.889 1.00 0.01 N ATOM 1391 CA SER A 89 -1.754 -17.666 -0.172 1.00 0.01 C ATOM 1392 C SER A 89 -2.786 -18.520 0.556 1.00 0.01 C ATOM 1393 O SER A 89 -3.172 -18.184 1.658 1.00 0.01 O ATOM 1394 CB SER A 89 -0.773 -18.569 -0.924 1.00 0.43 C ATOM 1395 OG SER A 89 -1.452 -19.212 -1.993 1.00 1.26 O ATOM 0 H SER A 89 -0.332 -17.429 1.411 1.00 0.01 H new ATOM 0 HA SER A 89 -2.221 -17.001 -0.898 1.00 0.01 H new ATOM 0 HB2 SER A 89 0.060 -17.980 -1.309 1.00 0.43 H new ATOM 0 HB3 SER A 89 -0.352 -19.312 -0.246 1.00 0.43 H new ATOM 0 HG SER A 89 -0.826 -19.790 -2.478 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.223 -19.626 0.008 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.205 -20.483 0.745 1.00 0.00 C ATOM 1403 C GLY A 90 -5.341 -20.956 -0.159 1.00 0.00 C ATOM 1404 O GLY A 90 -5.654 -22.130 -0.194 1.00 0.01 O ATOM 0 H GLY A 90 -2.946 -19.972 -0.911 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.690 -21.348 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.618 -19.922 1.584 1.00 0.00 H new ATOM 1408 N GLY A 91 -5.971 -20.079 -0.901 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.070 -20.551 -1.784 1.00 0.00 C ATOM 1410 C GLY A 91 -7.723 -19.399 -2.558 1.00 0.00 C ATOM 1411 O GLY A 91 -7.213 -18.969 -3.574 1.00 0.01 O ATOM 0 H GLY A 91 -5.775 -19.079 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.679 -21.285 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.825 -21.058 -1.183 1.00 0.00 H new ATOM 1415 N GLN A 92 -8.852 -18.907 -2.101 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.550 -17.787 -2.828 1.00 2.31 C ATOM 1417 C GLN A 92 -9.710 -16.566 -1.916 1.00 1.91 C ATOM 1418 O GLN A 92 -10.298 -16.632 -0.857 1.00 2.31 O ATOM 1419 CB GLN A 92 -10.916 -18.288 -3.304 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.627 -17.174 -4.075 1.00 2.86 C ATOM 1421 CD GLN A 92 -12.921 -17.719 -4.683 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.459 -17.148 -5.611 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -13.448 -18.807 -4.193 1.00 4.43 N ATOM 0 H GLN A 92 -9.323 -19.230 -1.256 1.00 1.80 H new ATOM 0 HA GLN A 92 -8.953 -17.480 -3.687 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -10.792 -19.164 -3.941 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.520 -18.597 -2.451 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -11.849 -16.340 -3.409 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -10.977 -16.789 -4.861 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -12.996 -19.286 -3.414 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.312 -19.178 -4.589 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.150 -15.455 -2.330 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.221 -14.217 -1.497 1.00 0.01 C ATOM 1434 C ALA A 93 -10.678 -13.738 -1.415 1.00 0.01 C ATOM 1435 O ALA A 93 -11.392 -13.757 -2.398 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.360 -13.130 -2.143 1.00 2.99 C ATOM 0 H ALA A 93 -8.646 -15.354 -3.211 1.00 0.01 H new ATOM 0 HA ALA A 93 -8.854 -14.427 -0.492 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.407 -12.223 -1.541 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.327 -13.472 -2.204 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.732 -12.919 -3.146 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.146 -13.354 -0.233 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.597 -12.928 -0.094 1.00 0.01 C ATOM 1444 C LYS A 94 -12.767 -11.633 0.724 1.00 0.01 C ATOM 1445 O LYS A 94 -12.241 -11.481 1.842 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.387 -14.047 0.592 1.00 2.49 C ATOM 1447 CG LYS A 94 -14.887 -13.811 0.402 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.676 -14.693 1.378 1.00 4.11 C ATOM 1449 CE LYS A 94 -15.261 -16.157 1.206 1.00 5.23 C ATOM 1450 NZ LYS A 94 -13.970 -16.396 1.911 1.00 6.36 N ATOM 0 H LYS A 94 -10.598 -13.317 0.626 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.971 -12.735 -1.100 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.105 -15.013 0.174 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.146 -14.077 1.654 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.124 -12.761 0.572 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.174 -14.040 -0.624 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.492 -14.371 2.403 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -16.745 -14.585 1.197 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -16.033 -16.814 1.607 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -15.158 -16.395 0.147 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -13.199 -16.451 1.215 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -13.785 -15.614 2.571 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -14.023 -17.290 2.440 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.534 -10.696 0.167 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.802 -9.391 0.852 1.00 0.01 C ATOM 1466 C ILE A 95 -15.311 -9.058 0.818 1.00 0.01 C ATOM 1467 O ILE A 95 -15.978 -9.240 -0.184 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.009 -8.294 0.120 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.553 -6.899 0.469 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.127 -8.510 -1.389 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.574 -5.821 -0.007 1.00 1.09 C ATOM 0 H ILE A 95 -13.984 -10.795 -0.743 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.494 -9.453 1.896 1.00 0.01 H new ATOM 0 HB ILE A 95 -11.967 -8.353 0.433 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.526 -6.751 0.000 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.702 -6.817 1.546 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.567 -7.735 -1.912 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.723 -9.488 -1.649 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.176 -8.461 -1.683 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -12.967 -4.836 0.244 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.610 -5.963 0.483 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.447 -5.896 -1.087 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.826 -8.497 1.896 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.270 -8.058 1.939 1.00 0.01 C ATOM 1485 C GLN A 96 -17.291 -6.571 2.318 1.00 0.01 C ATOM 1486 O GLN A 96 -16.523 -6.151 3.158 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.072 -8.887 2.954 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.225 -9.176 4.194 1.00 0.82 C ATOM 1489 CD GLN A 96 -16.370 -10.428 3.960 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -16.147 -10.824 2.832 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -15.880 -11.066 4.987 1.00 2.05 N ATOM 0 H GLN A 96 -15.304 -8.323 2.755 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.736 -8.211 0.966 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -18.975 -8.348 3.240 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.391 -9.824 2.497 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.584 -8.323 4.414 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -17.870 -9.322 5.060 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -16.068 -10.732 5.932 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -15.309 -11.899 4.845 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.145 -5.761 1.722 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.172 -4.291 2.068 1.00 0.01 C ATOM 1502 C VAL A 97 -19.571 -3.854 2.534 1.00 0.01 C ATOM 1503 O VAL A 97 -20.582 -4.379 2.099 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.774 -3.491 0.826 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.430 -4.001 0.301 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.841 -3.671 -0.257 1.00 1.03 C ATOM 0 H VAL A 97 -18.821 -6.050 1.015 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.473 -4.107 2.884 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.689 -2.436 1.085 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.145 -3.432 -0.584 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.669 -3.879 1.071 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.518 -5.056 0.041 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.560 -3.102 -1.143 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -18.923 -4.727 -0.515 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.801 -3.313 0.115 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.625 -2.901 3.449 1.00 0.01 N ATOM 1517 CA PHE A 98 -20.937 -2.417 3.999 1.00 0.01 C ATOM 1518 C PHE A 98 -21.123 -0.914 3.726 1.00 0.01 C ATOM 1519 O PHE A 98 -20.195 -0.113 3.826 1.00 0.01 O ATOM 1520 CB PHE A 98 -20.954 -2.642 5.512 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.019 -4.121 5.827 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -19.917 -4.941 5.560 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.173 -4.668 6.405 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -19.967 -6.304 5.868 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.220 -6.032 6.716 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.118 -6.851 6.447 1.00 0.69 C ATOM 0 H PHE A 98 -18.805 -2.436 3.839 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.743 -2.969 3.515 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.060 -2.208 5.960 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.811 -2.132 5.952 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.027 -4.521 5.116 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.025 -4.037 6.610 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -19.116 -6.936 5.659 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.108 -6.453 7.164 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.155 -7.904 6.686 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.333 -0.543 3.373 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.642 0.884 3.057 1.00 0.01 C ATOM 1538 C GLU A 99 -22.598 1.780 4.304 1.00 0.01 C ATOM 1539 O GLU A 99 -22.248 2.940 4.209 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.038 0.971 2.437 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.309 2.407 1.981 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.627 2.459 1.208 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.648 2.142 1.794 1.00 0.02 O ATOM 1544 OE2 GLU A 99 -25.594 2.814 0.040 1.00 0.01 O ATOM 0 H GLU A 99 -23.127 -1.179 3.290 1.00 0.01 H new ATOM 0 HA GLU A 99 -21.881 1.238 2.362 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.114 0.289 1.590 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.789 0.661 3.163 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.356 3.071 2.844 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.492 2.760 1.351 1.00 0.01 H new ATOM 1551 N LYS A 100 -22.958 1.276 5.466 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.941 2.136 6.705 1.00 0.01 C ATOM 1553 C LYS A 100 -21.881 1.628 7.681 1.00 0.01 C ATOM 1554 O LYS A 100 -21.377 0.531 7.555 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.311 2.106 7.391 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.415 2.504 6.398 1.00 1.63 C ATOM 1557 CD LYS A 100 -25.468 4.030 6.248 1.00 2.19 C ATOM 1558 CE LYS A 100 -26.673 4.413 5.388 1.00 2.84 C ATOM 1559 NZ LYS A 100 -26.452 3.951 3.989 1.00 3.18 N ATOM 0 H LYS A 100 -23.261 0.313 5.612 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.706 3.159 6.411 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.507 1.108 7.782 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.314 2.788 8.241 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.226 2.042 5.429 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -26.379 2.132 6.746 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -25.542 4.501 7.228 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -24.549 4.394 5.789 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -27.580 3.962 5.792 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -26.818 5.493 5.407 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -27.271 4.211 3.404 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -25.596 4.401 3.606 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -26.334 2.918 3.979 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.542 2.432 8.652 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.498 2.041 9.643 1.00 0.01 C ATOM 1575 C GLY A 101 -20.967 0.875 10.513 1.00 0.00 C ATOM 1576 O GLY A 101 -22.139 0.574 10.609 1.00 0.01 O ATOM 0 H GLY A 101 -21.949 3.355 8.803 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.583 1.762 9.120 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.256 2.895 10.275 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.029 0.237 11.164 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.348 -0.905 12.069 1.00 0.00 C ATOM 1582 C ASP A 102 -21.097 -2.009 11.320 1.00 0.00 C ATOM 1583 O ASP A 102 -21.992 -2.640 11.846 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.202 -0.402 13.235 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.588 0.880 13.802 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -20.919 1.943 13.303 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -19.797 0.776 14.724 1.00 0.01 O ATOM 0 H ASP A 102 -19.037 0.465 11.104 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.414 -1.323 12.444 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.221 -0.212 12.898 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.261 -1.164 14.012 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.703 -2.267 10.103 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.340 -3.354 9.310 1.00 0.01 C ATOM 1594 C PHE A 103 -22.860 -3.195 9.283 1.00 0.00 C ATOM 1595 O PHE A 103 -23.589 -4.105 9.628 1.00 0.01 O ATOM 1596 CB PHE A 103 -20.975 -4.705 9.935 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.532 -4.673 10.387 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.508 -4.541 9.443 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.218 -4.773 11.750 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.171 -4.511 9.858 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.881 -4.743 12.165 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.858 -4.612 11.218 1.00 0.01 C ATOM 0 H PHE A 103 -19.958 -1.765 9.620 1.00 0.01 H new ATOM 0 HA PHE A 103 -20.975 -3.301 8.284 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.629 -4.916 10.781 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.124 -5.506 9.211 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -18.749 -4.462 8.393 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -20.008 -4.873 12.480 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.381 -4.410 9.128 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.639 -4.821 13.215 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.827 -4.589 11.538 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.347 -2.058 8.850 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.825 -1.841 8.764 1.00 0.01 C ATOM 1614 C ASN A 104 -25.146 -1.334 7.356 1.00 0.01 C ATOM 1615 O ASN A 104 -24.267 -0.929 6.621 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.254 -0.807 9.816 1.00 1.68 C ATOM 1617 CG ASN A 104 -26.672 -0.303 9.518 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -26.853 0.607 8.736 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -27.689 -0.865 10.111 1.00 2.38 N ATOM 0 H ASN A 104 -22.780 -1.265 8.550 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.364 -2.769 8.956 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -25.221 -1.254 10.810 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -24.556 0.030 9.819 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -28.636 -0.539 9.917 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -27.537 -1.630 10.768 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.389 -1.363 6.961 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.746 -0.887 5.591 1.00 0.01 C ATOM 1628 C GLY A 105 -26.702 -2.065 4.621 1.00 0.01 C ATOM 1629 O GLY A 105 -26.712 -3.210 5.030 1.00 0.01 O ATOM 0 H GLY A 105 -27.172 -1.694 7.524 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.741 -0.442 5.596 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.051 -0.111 5.270 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.643 -1.810 3.343 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.587 -2.932 2.367 1.00 0.01 C ATOM 1635 C GLN A 106 -25.180 -3.533 2.371 1.00 0.01 C ATOM 1636 O GLN A 106 -24.186 -2.839 2.492 1.00 0.01 O ATOM 1637 CB GLN A 106 -26.912 -2.404 0.969 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.102 -3.583 0.010 1.00 0.01 C ATOM 1639 CD GLN A 106 -28.400 -4.316 0.353 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -28.385 -5.498 0.632 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -29.529 -3.660 0.346 1.00 0.01 N ATOM 0 H GLN A 106 -26.631 -0.876 2.934 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.312 -3.697 2.644 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.816 -1.796 0.999 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.107 -1.760 0.616 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -27.134 -3.226 -1.020 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -26.256 -4.266 0.084 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -29.541 -2.667 0.112 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -30.399 -4.140 0.575 1.00 0.01 H new ATOM 1650 N MET A 107 -25.106 -4.835 2.245 1.00 0.01 N ATOM 1651 CA MET A 107 -23.786 -5.540 2.242 1.00 0.01 C ATOM 1652 C MET A 107 -23.573 -6.220 0.891 1.00 0.01 C ATOM 1653 O MET A 107 -24.490 -6.748 0.292 1.00 0.01 O ATOM 1654 CB MET A 107 -23.785 -6.610 3.338 1.00 0.00 C ATOM 1655 CG MET A 107 -22.385 -7.215 3.476 1.00 0.01 C ATOM 1656 SD MET A 107 -22.478 -8.705 4.497 1.00 0.01 S ATOM 1657 CE MET A 107 -22.808 -9.879 3.160 1.00 0.01 C ATOM 0 H MET A 107 -25.915 -5.448 2.143 1.00 0.01 H new ATOM 0 HA MET A 107 -22.989 -4.818 2.421 1.00 0.01 H new ATOM 0 HB2 MET A 107 -24.096 -6.172 4.286 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.506 -7.391 3.096 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.983 -7.458 2.493 1.00 0.01 H new ATOM 0 HG3 MET A 107 -21.706 -6.492 3.928 1.00 0.01 H new ATOM 0 HE1 MET A 107 -22.904 -10.883 3.573 1.00 0.01 H new ATOM 0 HE2 MET A 107 -23.734 -9.604 2.655 1.00 0.01 H new ATOM 0 HE3 MET A 107 -21.985 -9.857 2.445 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.351 -6.227 0.423 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.022 -6.888 -0.876 1.00 0.00 C ATOM 1669 C TYR A 108 -20.784 -7.768 -0.667 1.00 0.01 C ATOM 1670 O TYR A 108 -19.835 -7.386 -0.010 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.725 -5.821 -1.934 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.021 -5.197 -2.398 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.860 -5.898 -3.274 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.384 -3.919 -1.956 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.060 -5.322 -3.707 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.585 -3.343 -2.388 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.423 -4.045 -3.264 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.605 -3.476 -3.689 1.00 2.48 O ATOM 0 H TYR A 108 -21.555 -5.796 0.893 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.862 -7.495 -1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.068 -5.056 -1.520 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.201 -6.267 -2.779 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.581 -6.884 -3.616 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.737 -3.377 -1.282 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.706 -5.863 -4.383 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -24.865 -2.358 -2.046 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.704 -2.588 -3.286 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.812 -8.964 -1.203 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.670 -9.922 -1.031 1.00 0.01 C ATOM 1690 C GLU A 109 -19.039 -10.223 -2.388 1.00 0.01 C ATOM 1691 O GLU A 109 -19.728 -10.471 -3.357 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.218 -11.211 -0.417 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.054 -12.110 0.005 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.593 -13.475 0.437 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -19.825 -14.299 -0.431 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.764 -13.672 1.629 1.00 0.00 O ATOM 0 H GLU A 109 -21.587 -9.324 -1.760 1.00 0.01 H new ATOM 0 HA GLU A 109 -18.909 -9.489 -0.382 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.843 -10.979 0.445 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.850 -11.730 -1.138 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.354 -12.229 -0.822 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.503 -11.649 0.825 1.00 0.01 H new ATOM 1703 N THR A 110 -17.728 -10.198 -2.476 1.00 0.01 N ATOM 1704 CA THR A 110 -17.077 -10.479 -3.791 1.00 0.00 C ATOM 1705 C THR A 110 -15.701 -11.134 -3.611 1.00 0.01 C ATOM 1706 O THR A 110 -14.976 -10.891 -2.652 1.00 0.01 O ATOM 1707 CB THR A 110 -16.904 -9.174 -4.570 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.391 -9.462 -5.864 1.00 1.65 O ATOM 1709 CG2 THR A 110 -15.934 -8.257 -3.825 1.00 1.69 C ATOM 0 H THR A 110 -17.091 -9.998 -1.705 1.00 0.01 H new ATOM 0 HA THR A 110 -17.721 -11.168 -4.338 1.00 0.00 H new ATOM 0 HB THR A 110 -17.869 -8.676 -4.664 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.281 -8.627 -6.366 1.00 1.65 H new ATOM 0 HG21 THR A 110 -15.812 -7.328 -4.381 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.330 -8.037 -2.834 1.00 1.69 H new ATOM 0 HG23 THR A 110 -14.968 -8.752 -3.728 1.00 1.69 H new ATOM 1717 N THR A 111 -15.356 -11.967 -4.561 1.00 0.00 N ATOM 1718 CA THR A 111 -14.046 -12.687 -4.550 1.00 0.01 C ATOM 1719 C THR A 111 -13.190 -12.235 -5.740 1.00 0.01 C ATOM 1720 O THR A 111 -12.160 -12.813 -6.026 1.00 0.01 O ATOM 1721 CB THR A 111 -14.299 -14.193 -4.658 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.221 -14.438 -5.709 1.00 0.01 O ATOM 1723 CG2 THR A 111 -14.875 -14.708 -3.338 1.00 0.01 C ATOM 0 H THR A 111 -15.945 -12.183 -5.365 1.00 0.00 H new ATOM 0 HA THR A 111 -13.520 -12.462 -3.622 1.00 0.01 H new ATOM 0 HB THR A 111 -13.362 -14.709 -4.868 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.385 -15.401 -5.783 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.056 -15.780 -3.414 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.167 -14.515 -2.532 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.814 -14.196 -3.126 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.636 -11.228 -6.462 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.880 -10.755 -7.674 1.00 0.01 C ATOM 1733 C GLU A 112 -12.510 -9.275 -7.548 1.00 0.01 C ATOM 1734 O GLU A 112 -13.067 -8.551 -6.748 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.759 -10.942 -8.912 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.142 -12.417 -9.048 1.00 1.61 C ATOM 1737 CD GLU A 112 -14.854 -12.642 -10.384 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -16.019 -12.291 -10.478 1.00 3.07 O ATOM 1739 OE2 GLU A 112 -14.225 -13.161 -11.291 1.00 3.21 O ATOM 0 H GLU A 112 -14.493 -10.712 -6.264 1.00 0.01 H new ATOM 0 HA GLU A 112 -11.963 -11.337 -7.760 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.656 -10.328 -8.830 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.226 -10.610 -9.803 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.250 -13.041 -8.990 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.792 -12.712 -8.224 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.582 -8.819 -8.351 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.176 -7.383 -8.308 1.00 0.01 C ATOM 1748 C ASP A 113 -12.310 -6.509 -8.867 1.00 0.00 C ATOM 1749 O ASP A 113 -13.100 -6.949 -9.679 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.927 -7.197 -9.174 1.00 0.01 C ATOM 1751 CG ASP A 113 -10.063 -8.033 -10.448 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -10.746 -7.588 -11.354 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -9.480 -9.103 -10.494 1.00 0.00 O ATOM 0 H ASP A 113 -11.085 -9.385 -9.039 1.00 0.01 H new ATOM 0 HA ASP A 113 -10.968 -7.091 -7.279 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.801 -6.145 -9.428 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.038 -7.500 -8.620 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.363 -5.261 -8.461 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.407 -4.321 -8.986 1.00 0.01 C ATOM 1760 C CYS A 114 -12.714 -3.032 -9.489 1.00 0.01 C ATOM 1761 O CYS A 114 -12.138 -2.315 -8.693 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.367 -3.956 -7.854 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.453 -5.366 -7.519 1.00 0.01 S ATOM 0 H CYS A 114 -11.722 -4.850 -7.782 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.956 -4.794 -9.800 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -13.807 -3.691 -6.957 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -14.959 -3.083 -8.130 1.00 0.01 H new ATOM 0 HG CYS A 114 -15.153 -5.879 -6.363 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.764 -2.702 -10.774 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.110 -1.449 -11.252 1.00 0.01 C ATOM 1771 C PRO A 115 -12.922 -0.207 -10.866 1.00 0.01 C ATOM 1772 O PRO A 115 -12.371 0.859 -10.657 1.00 0.01 O ATOM 1773 CB PRO A 115 -12.080 -1.657 -12.775 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.112 -2.745 -13.119 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.439 -3.520 -11.827 1.00 0.01 C ATOM 0 HA PRO A 115 -11.125 -1.278 -10.817 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.317 -0.728 -13.293 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -11.084 -1.958 -13.100 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -14.015 -2.296 -13.532 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.715 -3.420 -13.878 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.514 -3.591 -11.658 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -13.053 -4.539 -11.857 1.00 0.01 H new ATOM 1783 N SER A 116 -14.223 -0.328 -10.782 1.00 0.01 N ATOM 1784 CA SER A 116 -15.071 0.849 -10.417 1.00 0.02 C ATOM 1785 C SER A 116 -16.224 0.379 -9.523 1.00 0.01 C ATOM 1786 O SER A 116 -17.141 -0.296 -9.958 1.00 0.00 O ATOM 1787 CB SER A 116 -15.631 1.485 -11.690 1.00 0.01 C ATOM 1788 OG SER A 116 -16.187 0.470 -12.513 1.00 0.01 O ATOM 0 H SER A 116 -14.736 -1.193 -10.951 1.00 0.01 H new ATOM 0 HA SER A 116 -14.472 1.585 -9.881 1.00 0.02 H new ATOM 0 HB2 SER A 116 -16.392 2.223 -11.438 1.00 0.01 H new ATOM 0 HB3 SER A 116 -14.841 2.012 -12.225 1.00 0.01 H new ATOM 0 HG SER A 116 -16.637 -0.196 -11.952 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.157 0.718 -8.264 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.207 0.291 -7.296 1.00 0.01 C ATOM 1796 C ILE A 117 -18.563 0.892 -7.657 1.00 0.01 C ATOM 1797 O ILE A 117 -19.582 0.247 -7.514 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.808 0.758 -5.898 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.523 0.046 -5.474 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.922 0.431 -4.900 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.948 0.732 -4.235 1.00 1.83 C ATOM 0 H ILE A 117 -15.408 1.281 -7.860 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.292 -0.795 -7.329 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.645 1.836 -5.913 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.729 -1.003 -5.260 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.796 0.069 -6.286 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.630 0.767 -3.905 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.839 0.938 -5.199 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.091 -0.646 -4.884 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -14.032 0.226 -3.931 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.727 1.774 -4.466 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.674 0.686 -3.424 1.00 1.83 H new ATOM 1813 N MET A 118 -18.595 2.124 -8.088 1.00 0.02 N ATOM 1814 CA MET A 118 -19.909 2.742 -8.411 1.00 0.01 C ATOM 1815 C MET A 118 -20.525 2.047 -9.622 1.00 0.01 C ATOM 1816 O MET A 118 -21.717 1.841 -9.686 1.00 0.02 O ATOM 1817 CB MET A 118 -19.742 4.237 -8.696 1.00 0.24 C ATOM 1818 CG MET A 118 -21.118 4.902 -8.762 1.00 0.63 C ATOM 1819 SD MET A 118 -21.848 4.947 -7.105 1.00 1.20 S ATOM 1820 CE MET A 118 -23.397 5.761 -7.565 1.00 1.34 C ATOM 0 H MET A 118 -17.780 2.721 -8.228 1.00 0.02 H new ATOM 0 HA MET A 118 -20.571 2.623 -7.553 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.139 4.701 -7.916 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.211 4.381 -9.637 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.026 5.913 -9.158 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.768 4.351 -9.442 1.00 0.63 H new ATOM 0 HE1 MET A 118 -24.016 5.893 -6.678 1.00 1.34 H new ATOM 0 HE2 MET A 118 -23.180 6.735 -8.004 1.00 1.34 H new ATOM 0 HE3 MET A 118 -23.929 5.146 -8.291 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.740 1.675 -10.585 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.320 0.999 -11.772 1.00 0.02 C ATOM 1832 C GLU A 119 -20.811 -0.399 -11.387 1.00 0.02 C ATOM 1833 O GLU A 119 -21.814 -0.874 -11.884 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.252 0.880 -12.862 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.908 0.448 -14.174 1.00 0.99 C ATOM 1836 CD GLU A 119 -18.832 0.251 -15.244 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -18.262 -0.827 -15.293 1.00 2.11 O ATOM 1838 OE2 GLU A 119 -18.595 1.183 -15.995 1.00 2.07 O ATOM 0 H GLU A 119 -18.729 1.808 -10.604 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.161 1.585 -12.143 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.744 1.835 -12.994 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.494 0.155 -12.566 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -20.463 -0.478 -14.027 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.625 1.201 -14.499 1.00 0.99 H new ATOM 1845 N GLN A 120 -20.084 -1.084 -10.546 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.477 -2.479 -10.180 1.00 0.01 C ATOM 1847 C GLN A 120 -21.582 -2.517 -9.117 1.00 0.01 C ATOM 1848 O GLN A 120 -22.521 -3.281 -9.225 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.248 -3.217 -9.646 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.535 -4.720 -9.594 1.00 1.07 C ATOM 1851 CD GLN A 120 -19.558 -5.286 -11.014 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -18.521 -5.487 -11.617 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -20.703 -5.553 -11.578 1.00 2.08 N ATOM 0 H GLN A 120 -19.236 -0.740 -10.096 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.866 -2.959 -11.078 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.388 -3.023 -10.286 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.994 -2.850 -8.651 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -18.772 -5.226 -9.002 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.491 -4.901 -9.104 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -21.572 -5.384 -11.072 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -20.729 -5.931 -12.525 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.441 -1.756 -8.057 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.445 -1.812 -6.938 1.00 0.01 C ATOM 1864 C PHE A 121 -23.282 -0.537 -6.831 1.00 0.01 C ATOM 1865 O PHE A 121 -24.140 -0.432 -5.978 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.698 -2.029 -5.624 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.881 -3.297 -5.710 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.460 -4.526 -5.374 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.545 -3.243 -6.124 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -20.705 -5.701 -5.452 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.790 -4.419 -6.203 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.369 -5.647 -5.867 1.00 0.01 C ATOM 0 H PHE A 121 -20.675 -1.097 -7.915 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.131 -2.633 -7.148 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.048 -1.179 -5.419 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.406 -2.096 -4.798 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.491 -4.567 -5.054 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -19.097 -2.295 -6.382 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.152 -6.649 -5.192 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.760 -4.378 -6.524 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.785 -6.554 -5.928 1.00 0.01 H new ATOM 1882 N HIS A 122 -23.048 0.435 -7.665 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.840 1.693 -7.573 1.00 0.01 C ATOM 1884 C HIS A 122 -23.639 2.323 -6.193 1.00 0.01 C ATOM 1885 O HIS A 122 -24.534 2.935 -5.646 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.322 1.375 -7.804 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.447 0.345 -8.891 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -25.263 0.657 -10.228 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.737 -0.997 -8.855 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.439 -0.473 -10.936 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.732 -1.512 -10.148 1.00 0.01 N ATOM 0 H HIS A 122 -22.346 0.414 -8.404 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.505 2.399 -8.333 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.774 1.005 -6.884 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.861 2.281 -8.082 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -25.938 -1.566 -7.959 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -25.354 -0.533 -12.011 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.913 -2.475 -10.433 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.459 2.178 -5.629 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.174 2.769 -4.273 1.00 0.01 C ATOM 1901 C LEU A 123 -21.143 3.891 -4.432 1.00 0.02 C ATOM 1902 O LEU A 123 -20.164 3.755 -5.137 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.606 1.672 -3.341 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.738 0.989 -2.547 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.265 -0.380 -2.046 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.121 1.842 -1.329 1.00 0.01 C ATOM 0 H LEU A 123 -21.678 1.675 -6.049 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.092 3.167 -3.840 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.070 0.929 -3.931 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.886 2.112 -2.651 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.600 0.875 -3.205 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.068 -0.859 -1.485 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -21.993 -1.005 -2.897 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.397 -0.251 -1.399 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.921 1.349 -0.777 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.253 1.961 -0.681 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.461 2.822 -1.664 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.365 5.008 -3.783 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.408 6.148 -3.897 1.00 0.00 C ATOM 1920 C ARG A 124 -19.361 6.087 -2.781 1.00 0.01 C ATOM 1921 O ARG A 124 -18.290 6.647 -2.893 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.176 7.467 -3.786 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.153 7.588 -4.957 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.683 9.021 -5.033 1.00 2.92 C ATOM 1925 NE ARG A 124 -21.593 9.927 -5.491 1.00 3.54 N ATOM 1926 CZ ARG A 124 -21.876 11.130 -5.907 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -23.116 11.539 -5.924 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -20.921 11.924 -6.308 1.00 5.32 N ATOM 0 H ARG A 124 -22.169 5.178 -3.179 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.903 6.084 -4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.718 7.506 -2.841 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.481 8.307 -3.790 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.654 7.323 -5.889 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.980 6.889 -4.828 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -23.527 9.072 -5.721 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.048 9.338 -4.056 1.00 2.92 H new ATOM 0 HE ARG A 124 -20.625 9.606 -5.479 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -23.862 10.918 -5.612 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -23.338 12.480 -6.249 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -19.953 11.604 -6.296 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -21.143 12.865 -6.633 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.670 5.430 -1.690 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.703 5.357 -0.552 1.00 0.01 C ATOM 1944 C GLU A 125 -18.873 4.033 0.200 1.00 0.01 C ATOM 1945 O GLU A 125 -19.881 3.365 0.080 1.00 0.01 O ATOM 1946 CB GLU A 125 -18.984 6.506 0.418 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.654 7.837 -0.258 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.660 8.954 0.788 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.642 9.063 1.504 1.00 0.02 O ATOM 1950 OE2 GLU A 125 -17.682 9.681 0.856 1.00 0.01 O ATOM 0 H GLU A 125 -20.552 4.940 -1.539 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.688 5.426 -0.944 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -20.030 6.491 0.723 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.387 6.387 1.322 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.678 7.780 -0.740 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.383 8.051 -1.039 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.901 3.665 1.001 1.00 0.01 N ATOM 1958 CA ILE A 126 -17.998 2.401 1.804 1.00 0.01 C ATOM 1959 C ILE A 126 -17.607 2.739 3.247 1.00 0.01 C ATOM 1960 O ILE A 126 -16.609 3.394 3.473 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.036 1.354 1.229 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.632 0.809 -0.072 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.848 0.203 2.230 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.618 -0.096 -0.767 1.00 1.70 C ATOM 0 H ILE A 126 -17.037 4.190 1.135 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.009 1.995 1.770 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.066 1.812 1.037 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.544 0.252 0.141 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.908 1.633 -0.730 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.163 -0.535 1.812 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.436 0.594 3.161 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.811 -0.267 2.429 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.048 -0.481 -1.692 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.717 0.474 -0.995 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.364 -0.929 -0.111 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.411 2.361 4.221 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.091 2.751 5.641 1.00 0.01 C ATOM 1978 C HIS A 127 -17.579 1.581 6.487 1.00 0.01 C ATOM 1979 O HIS A 127 -17.014 1.792 7.542 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.338 3.356 6.299 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.582 4.740 5.756 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.483 5.874 6.548 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -19.926 5.187 4.504 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.762 6.938 5.771 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -20.041 6.574 4.515 1.00 0.02 N ATOM 0 H HIS A 127 -19.260 1.809 4.099 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.285 3.484 5.596 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.204 2.723 6.108 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.206 3.398 7.380 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -20.084 4.557 3.641 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.761 7.960 6.120 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.285 7.182 3.733 1.00 0.02 H new ATOM 1993 N SER A 128 -17.713 0.363 6.044 1.00 0.01 N ATOM 1994 CA SER A 128 -17.161 -0.770 6.853 1.00 0.01 C ATOM 1995 C SER A 128 -16.922 -1.954 5.917 1.00 0.01 C ATOM 1996 O SER A 128 -17.518 -2.057 4.866 1.00 0.01 O ATOM 1997 CB SER A 128 -18.148 -1.148 7.969 1.00 0.01 C ATOM 1998 OG SER A 128 -19.452 -0.740 7.596 1.00 0.01 O ATOM 0 H SER A 128 -18.172 0.100 5.172 1.00 0.01 H new ATOM 0 HA SER A 128 -16.221 -0.479 7.322 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.126 -2.224 8.141 1.00 0.01 H new ATOM 0 HB3 SER A 128 -17.858 -0.670 8.905 1.00 0.01 H new ATOM 0 HG SER A 128 -19.782 -0.075 8.235 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.035 -2.842 6.263 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.763 -3.983 5.355 1.00 0.01 C ATOM 2006 C CYS A 129 -15.010 -5.069 6.112 1.00 0.00 C ATOM 2007 O CYS A 129 -14.196 -4.793 6.972 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.912 -3.487 4.188 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.165 -4.885 3.316 1.00 1.22 S ATOM 0 H CYS A 129 -15.492 -2.827 7.127 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.701 -4.394 4.982 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.528 -2.908 3.500 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.132 -2.820 4.556 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.061 -5.808 3.129 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.265 -6.310 5.785 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.558 -7.429 6.470 1.00 0.01 C ATOM 2017 C LYS A 130 -13.812 -8.253 5.428 1.00 0.01 C ATOM 2018 O LYS A 130 -14.385 -8.930 4.603 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.566 -8.314 7.217 1.00 0.55 C ATOM 2020 CG LYS A 130 -16.625 -7.434 7.880 1.00 0.80 C ATOM 2021 CD LYS A 130 -17.418 -8.261 8.897 1.00 0.29 C ATOM 2022 CE LYS A 130 -18.197 -9.364 8.173 1.00 0.33 C ATOM 2023 NZ LYS A 130 -19.267 -9.886 9.070 1.00 1.41 N ATOM 0 H LYS A 130 -15.935 -6.595 5.071 1.00 0.01 H new ATOM 0 HA LYS A 130 -13.851 -7.025 7.194 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.038 -9.010 6.524 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -15.053 -8.913 7.969 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -16.150 -6.587 8.376 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -17.297 -7.025 7.125 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -16.741 -8.702 9.629 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -18.106 -7.618 9.446 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -18.636 -8.972 7.255 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -17.523 -10.171 7.885 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -19.796 -10.635 8.580 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -18.837 -10.275 9.934 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -19.915 -9.113 9.324 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.520 -8.197 5.487 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.664 -8.974 4.556 1.00 0.01 C ATOM 2039 C VAL A 131 -11.073 -10.083 5.388 1.00 0.01 C ATOM 2040 O VAL A 131 -10.362 -9.812 6.342 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.541 -8.082 4.021 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.687 -8.864 3.023 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.144 -6.861 3.326 1.00 0.01 C ATOM 0 H VAL A 131 -12.004 -7.630 6.160 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.228 -9.354 3.704 1.00 0.01 H new ATOM 0 HB VAL A 131 -9.916 -7.757 4.853 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -8.890 -8.223 2.646 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.252 -9.732 3.518 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.310 -9.195 2.192 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.343 -6.227 2.946 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.773 -7.187 2.498 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.746 -6.297 4.039 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.277 -11.334 5.020 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.610 -12.419 5.806 1.00 0.01 C ATOM 2055 C VAL A 132 -10.252 -13.542 4.851 1.00 0.00 C ATOM 2056 O VAL A 132 -10.789 -14.627 4.933 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.571 -12.944 6.876 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -10.817 -13.875 7.824 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.145 -11.767 7.669 1.00 1.98 C ATOM 0 H VAL A 132 -11.856 -11.638 4.237 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.714 -12.036 6.294 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.383 -13.491 6.397 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.500 -14.249 8.586 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.407 -14.713 7.261 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.005 -13.327 8.302 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -12.829 -12.141 8.431 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.333 -11.220 8.148 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.682 -11.101 6.994 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.342 -13.306 3.966 1.00 0.01 N ATOM 2070 CA GLU A 133 -8.926 -14.366 3.013 1.00 0.01 C ATOM 2071 C GLU A 133 -7.978 -13.703 2.009 1.00 0.01 C ATOM 2072 O GLU A 133 -8.420 -12.924 1.182 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.176 -14.984 2.318 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.355 -16.457 2.727 1.00 0.00 C ATOM 2075 CD GLU A 133 -9.345 -17.327 1.973 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -8.371 -16.780 1.485 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -9.565 -18.524 1.897 1.00 0.00 O ATOM 0 H GLU A 133 -8.859 -12.414 3.856 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.418 -15.188 3.517 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.066 -14.416 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.069 -14.913 1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.213 -16.566 3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.370 -16.786 2.505 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.705 -13.991 2.070 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.750 -13.360 1.108 1.00 0.01 C ATOM 2086 C GLY A 134 -5.558 -11.875 1.449 1.00 0.01 C ATOM 2087 O GLY A 134 -6.061 -11.386 2.441 1.00 0.01 O ATOM 0 H GLY A 134 -6.285 -14.634 2.741 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.791 -13.876 1.145 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.127 -13.461 0.090 1.00 0.01 H new ATOM 2091 N THR A 135 -4.829 -11.156 0.623 1.00 0.01 N ATOM 2092 CA THR A 135 -4.585 -9.693 0.872 1.00 0.01 C ATOM 2093 C THR A 135 -5.335 -8.872 -0.189 1.00 0.01 C ATOM 2094 O THR A 135 -5.440 -9.272 -1.332 1.00 0.01 O ATOM 2095 CB THR A 135 -3.073 -9.410 0.770 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.498 -10.290 -0.185 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.394 -9.630 2.128 1.00 2.30 C ATOM 0 H THR A 135 -4.389 -11.523 -0.221 1.00 0.01 H new ATOM 0 HA THR A 135 -4.941 -9.418 1.865 1.00 0.01 H new ATOM 0 HB THR A 135 -2.927 -8.374 0.465 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.537 -10.113 -0.255 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.327 -9.426 2.039 1.00 2.30 H new ATOM 0 HG22 THR A 135 -2.831 -8.958 2.867 1.00 2.30 H new ATOM 0 HG23 THR A 135 -2.541 -10.662 2.445 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.860 -7.727 0.186 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.618 -6.869 -0.788 1.00 0.01 C ATOM 2107 C TRP A 136 -6.100 -5.426 -0.741 1.00 0.01 C ATOM 2108 O TRP A 136 -5.743 -4.917 0.298 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.106 -6.884 -0.423 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.713 -8.193 -0.818 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.636 -9.336 -0.096 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.485 -8.515 -2.012 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.315 -10.336 -0.768 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.855 -9.880 -1.954 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.897 -7.764 -3.129 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.608 -10.477 -2.966 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.653 -8.365 -4.149 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.007 -9.717 -4.066 1.00 0.01 C ATOM 0 H TRP A 136 -5.796 -7.347 1.130 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.476 -7.264 -1.794 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.228 -6.725 0.648 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.622 -6.067 -0.928 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.127 -9.448 0.850 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.406 -11.294 -0.429 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.630 -6.720 -3.202 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.880 -11.520 -2.898 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.963 -7.780 -5.003 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.589 -10.172 -4.854 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.091 -4.747 -1.863 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.640 -3.315 -1.895 1.00 0.00 C ATOM 2131 C ILE A 137 -6.826 -2.465 -2.353 1.00 0.01 C ATOM 2132 O ILE A 137 -7.559 -2.852 -3.237 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.497 -3.142 -2.906 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.366 -4.120 -2.577 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.955 -1.706 -2.838 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.169 -3.846 -3.495 1.00 1.69 C ATOM 0 H ILE A 137 -6.379 -5.124 -2.766 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.290 -3.014 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.876 -3.342 -3.908 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.070 -4.012 -1.534 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.709 -5.146 -2.706 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.144 -1.589 -3.557 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.754 -1.004 -3.075 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.581 -1.505 -1.834 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.364 -4.542 -3.261 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.470 -3.976 -4.534 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.821 -2.824 -3.343 1.00 1.69 H new ATOM 2148 N PHE A 138 -6.989 -1.291 -1.783 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.098 -0.368 -2.208 1.00 0.01 C ATOM 2150 C PHE A 138 -7.453 0.871 -2.829 1.00 0.01 C ATOM 2151 O PHE A 138 -6.423 1.330 -2.375 1.00 0.00 O ATOM 2152 CB PHE A 138 -9.014 -0.018 -0.994 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.700 1.327 -0.333 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.852 2.543 -1.033 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.295 1.356 1.009 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.588 3.760 -0.392 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.037 2.576 1.645 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.180 3.776 0.943 1.00 2.49 C ATOM 0 H PHE A 138 -6.397 -0.929 -1.035 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.744 -0.843 -2.946 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -10.052 -0.012 -1.327 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.924 -0.806 -0.247 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.172 2.535 -2.064 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.181 0.431 1.555 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.700 4.689 -0.932 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.727 2.590 2.679 1.00 2.01 H new ATOM 0 HZ PHE A 138 -7.975 4.716 1.433 1.00 2.49 H new ATOM 2168 N TYR A 139 -8.059 1.423 -3.857 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.499 2.647 -4.518 1.00 0.01 C ATOM 2170 C TYR A 139 -8.553 3.759 -4.484 1.00 0.01 C ATOM 2171 O TYR A 139 -9.747 3.504 -4.556 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.136 2.332 -5.972 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.317 1.062 -6.025 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.933 -0.176 -5.809 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.944 1.119 -6.293 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.179 -1.355 -5.859 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.190 -0.060 -6.344 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.808 -1.297 -6.125 1.00 0.02 C ATOM 2179 OH TYR A 139 -4.062 -2.459 -6.171 1.00 0.00 O ATOM 0 H TYR A 139 -8.925 1.074 -4.269 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.602 2.969 -3.989 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -8.042 2.218 -6.567 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.572 3.159 -6.404 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.992 -0.222 -5.603 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.466 2.073 -6.461 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.657 -2.309 -5.692 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -3.131 -0.015 -6.552 1.00 0.02 H new ATOM 0 HH TYR A 139 -3.127 -2.240 -6.368 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.119 4.984 -4.319 1.00 0.01 N ATOM 2190 CA GLU A 140 -9.080 6.122 -4.202 1.00 0.02 C ATOM 2191 C GLU A 140 -9.721 6.470 -5.550 1.00 0.01 C ATOM 2192 O GLU A 140 -10.838 6.946 -5.581 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.303 7.336 -3.691 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.275 8.486 -3.422 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.535 9.625 -2.716 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.539 10.079 -3.253 1.00 0.02 O ATOM 2197 OE2 GLU A 140 -8.975 10.022 -1.649 1.00 0.01 O ATOM 0 H GLU A 140 -7.135 5.245 -4.260 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.882 5.839 -3.520 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.765 7.079 -2.778 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.557 7.640 -4.426 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.703 8.842 -4.359 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -10.104 8.139 -2.805 1.00 0.02 H new ATOM 2204 N LEU A 141 -9.050 6.261 -6.664 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.665 6.614 -7.991 1.00 0.02 C ATOM 2206 C LEU A 141 -9.873 5.324 -8.813 1.00 0.01 C ATOM 2207 O LEU A 141 -9.163 4.350 -8.626 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.701 7.556 -8.740 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.903 9.012 -8.267 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.637 9.826 -8.543 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -10.078 9.663 -9.012 1.00 1.24 C ATOM 0 H LEU A 141 -8.111 5.865 -6.712 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.627 7.105 -7.845 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.670 7.248 -8.564 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.875 7.487 -9.814 1.00 0.57 H new ATOM 0 HG LEU A 141 -9.116 8.998 -7.198 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.784 10.853 -8.208 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.797 9.386 -8.006 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.427 9.820 -9.613 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.205 10.689 -8.665 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.874 9.664 -10.083 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.990 9.099 -8.817 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.834 5.311 -9.724 1.00 0.01 N ATOM 2224 CA PRO A 142 -11.100 4.097 -10.551 1.00 0.01 C ATOM 2225 C PRO A 142 -9.851 3.607 -11.291 1.00 0.01 C ATOM 2226 O PRO A 142 -8.852 4.289 -11.405 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.184 4.586 -11.539 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.409 6.093 -11.308 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.719 6.484 -9.993 1.00 0.01 C ATOM 0 HA PRO A 142 -11.409 3.241 -9.951 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.871 4.403 -12.567 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -13.113 4.036 -11.386 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -12.001 6.670 -12.138 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.475 6.315 -11.259 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.148 7.407 -10.094 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.439 6.641 -9.189 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.948 2.415 -11.812 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.827 1.810 -12.585 1.00 0.01 C ATOM 2239 C ASN A 143 -7.568 1.691 -11.725 1.00 0.01 C ATOM 2240 O ASN A 143 -6.457 1.734 -12.213 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.525 2.686 -13.801 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.834 3.083 -14.486 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -10.502 2.255 -15.073 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -10.230 4.325 -14.437 1.00 0.56 N ATOM 0 H ASN A 143 -10.775 1.823 -11.732 1.00 0.01 H new ATOM 0 HA ASN A 143 -9.125 0.810 -12.902 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -7.979 3.578 -13.493 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.886 2.147 -14.500 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -11.100 4.601 -14.891 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -9.669 5.020 -13.944 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.745 1.501 -10.447 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.580 1.330 -9.533 1.00 0.02 C ATOM 2253 C TYR A 144 -5.646 2.546 -9.598 1.00 0.01 C ATOM 2254 O TYR A 144 -4.455 2.409 -9.791 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.814 0.057 -9.932 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.794 -0.968 -10.464 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.867 -1.385 -9.665 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.638 -1.492 -11.754 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.781 -2.326 -10.156 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.553 -2.431 -12.244 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.625 -2.849 -11.445 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.525 -3.776 -11.930 1.00 0.01 O ATOM 0 H TYR A 144 -8.657 1.456 -9.992 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.944 1.241 -8.509 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -5.066 0.291 -10.690 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.280 -0.345 -9.071 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -7.989 -0.981 -8.671 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.811 -1.171 -12.371 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.607 -2.648 -9.539 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.432 -2.834 -13.239 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.270 -4.034 -12.841 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.182 3.735 -9.438 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.324 4.971 -9.488 1.00 0.01 C ATOM 2274 C ARG A 145 -5.519 5.791 -8.210 1.00 0.01 C ATOM 2275 O ARG A 145 -6.458 5.581 -7.467 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.731 5.832 -10.691 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.636 5.011 -11.987 1.00 0.02 C ATOM 2278 CD ARG A 145 -4.179 4.925 -12.457 1.00 0.01 C ATOM 2279 NE ARG A 145 -4.136 4.309 -13.813 1.00 0.01 N ATOM 2280 CZ ARG A 145 -3.057 4.405 -14.539 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -2.015 5.038 -14.075 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -3.018 3.869 -15.728 1.00 0.01 N ATOM 0 H ARG A 145 -7.174 3.906 -9.275 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.280 4.672 -9.579 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.749 6.198 -10.558 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.084 6.706 -10.757 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -6.031 4.009 -11.820 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -6.249 5.471 -12.762 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -3.733 5.919 -12.482 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -3.593 4.331 -11.756 1.00 0.01 H new ATOM 0 HE ARG A 145 -4.951 3.812 -14.173 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -2.045 5.457 -13.146 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -1.170 5.114 -14.642 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -3.832 3.374 -16.091 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -2.173 3.945 -16.294 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.628 6.713 -7.932 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.751 7.539 -6.692 1.00 0.02 C ATOM 2298 C GLY A 146 -4.023 6.853 -5.533 1.00 0.01 C ATOM 2299 O GLY A 146 -3.240 5.943 -5.723 1.00 0.02 O ATOM 0 H GLY A 146 -3.818 6.929 -8.514 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.330 8.530 -6.862 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.802 7.678 -6.441 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.277 7.292 -4.331 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.607 6.683 -3.146 1.00 0.01 C ATOM 2305 C ARG A 147 -4.114 5.255 -2.972 1.00 0.01 C ATOM 2306 O ARG A 147 -5.272 4.950 -3.197 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.949 7.507 -1.903 1.00 0.01 C ATOM 2308 CG ARG A 147 -3.258 6.899 -0.681 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.382 7.859 0.503 1.00 0.01 C ATOM 2310 NE ARG A 147 -2.972 7.162 1.753 1.00 0.02 N ATOM 2311 CZ ARG A 147 -2.710 7.852 2.828 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -2.807 9.154 2.807 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -2.350 7.242 3.923 1.00 0.02 N ATOM 0 H ARG A 147 -4.924 8.051 -4.117 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.526 6.671 -3.288 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.628 8.540 -2.039 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -5.028 7.526 -1.752 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.711 5.939 -0.434 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -2.207 6.709 -0.901 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -2.755 8.736 0.341 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -4.409 8.213 0.592 1.00 0.01 H new ATOM 0 HE ARG A 147 -2.896 6.145 1.769 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -3.088 9.631 1.950 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -2.602 9.694 3.648 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -2.273 6.225 3.939 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -2.145 7.782 4.764 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.219 4.367 -2.602 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.570 2.925 -2.436 1.00 0.01 C ATOM 2329 C GLN A 148 -3.328 2.505 -0.979 1.00 0.01 C ATOM 2330 O GLN A 148 -2.432 3.000 -0.323 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.640 2.111 -3.357 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.320 2.923 -4.617 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.731 2.002 -5.689 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -1.997 2.169 -6.863 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -0.937 1.029 -5.333 1.00 0.01 N ATOM 0 H GLN A 148 -2.243 4.589 -2.405 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.616 2.753 -2.688 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.719 1.861 -2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -3.116 1.170 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -3.225 3.402 -4.992 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.614 3.718 -4.379 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -0.713 0.888 -4.348 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -0.540 0.410 -6.040 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.113 1.584 -0.480 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.941 1.094 0.929 1.00 0.01 C ATOM 2346 C TYR A 149 -3.904 -0.443 0.919 1.00 0.01 C ATOM 2347 O TYR A 149 -4.597 -1.075 0.147 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.115 1.589 1.790 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.653 1.845 3.215 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -3.676 2.816 3.465 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -5.197 1.112 4.279 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -3.244 3.055 4.775 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.765 1.353 5.589 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.789 2.323 5.836 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.363 2.561 7.127 1.00 0.01 O ATOM 0 H TYR A 149 -4.877 1.143 -0.993 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.011 1.477 1.348 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.527 2.504 1.364 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.915 0.848 1.787 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -3.255 3.381 2.647 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -5.950 0.361 4.088 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -2.490 3.804 4.967 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -5.186 0.789 6.409 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.842 1.969 7.744 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.106 -1.042 1.767 1.00 0.01 N ATOM 2366 CA LEU A 150 -3.020 -2.543 1.797 1.00 0.01 C ATOM 2367 C LEU A 150 -3.908 -3.086 2.928 1.00 0.01 C ATOM 2368 O LEU A 150 -3.743 -2.743 4.082 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.550 -2.942 2.018 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.288 -4.319 1.392 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.168 -4.721 1.627 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -2.224 -5.362 2.024 1.00 0.01 C ATOM 0 H LEU A 150 -2.509 -0.562 2.441 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.371 -2.966 0.855 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.890 -2.198 1.572 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.327 -2.968 3.085 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.479 -4.270 0.320 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.352 -5.699 1.182 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.827 -3.984 1.169 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.364 -4.767 2.698 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -2.035 -6.338 1.577 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -2.041 -5.412 3.097 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -3.261 -5.076 1.846 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.847 -3.940 2.594 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.758 -4.531 3.621 1.00 0.01 C ATOM 2386 C LEU A 151 -5.350 -5.976 3.912 1.00 0.01 C ATOM 2387 O LEU A 151 -5.098 -6.751 3.008 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.194 -4.523 3.088 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.519 -3.150 2.493 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -9.007 -3.093 2.134 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.193 -2.058 3.517 1.00 0.01 C ATOM 0 H LEU A 151 -5.021 -4.255 1.640 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.692 -3.942 4.536 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.314 -5.296 2.329 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.892 -4.755 3.893 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.922 -2.990 1.595 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.242 -2.117 1.710 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.235 -3.870 1.404 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.604 -3.252 3.032 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.424 -1.081 3.093 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.788 -2.213 4.417 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.134 -2.102 3.771 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.319 -6.351 5.167 1.00 0.01 N ATOM 2404 CA ASP A 152 -4.965 -7.757 5.539 1.00 0.01 C ATOM 2405 C ASP A 152 -6.232 -8.454 6.033 1.00 0.00 C ATOM 2406 O ASP A 152 -7.269 -7.836 6.165 1.00 0.01 O ATOM 2407 CB ASP A 152 -3.923 -7.739 6.659 1.00 1.04 C ATOM 2408 CG ASP A 152 -3.439 -9.164 6.931 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -2.697 -9.683 6.114 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -3.819 -9.712 7.952 1.00 1.57 O ATOM 0 H ASP A 152 -5.525 -5.739 5.956 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.555 -8.285 4.678 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -3.082 -7.106 6.377 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -4.354 -7.311 7.564 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.172 -9.730 6.308 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.395 -10.430 6.794 1.00 0.01 C ATOM 2417 C LYS A 153 -7.858 -9.754 8.090 1.00 0.01 C ATOM 2418 O LYS A 153 -7.530 -10.191 9.176 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.074 -11.904 7.059 1.00 0.38 C ATOM 2420 CG LYS A 153 -5.683 -12.022 7.682 1.00 0.71 C ATOM 2421 CD LYS A 153 -5.495 -13.431 8.247 1.00 0.72 C ATOM 2422 CE LYS A 153 -4.032 -13.628 8.650 1.00 1.09 C ATOM 2423 NZ LYS A 153 -3.903 -14.877 9.453 1.00 1.84 N ATOM 0 H LYS A 153 -5.339 -10.312 6.218 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.184 -10.374 6.044 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -7.820 -12.335 7.727 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.116 -12.469 6.128 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -4.919 -11.814 6.933 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.563 -11.282 8.474 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -6.144 -13.578 9.110 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -5.782 -14.174 7.503 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -3.404 -13.687 7.761 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -3.685 -12.773 9.229 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -2.909 -15.012 9.728 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -4.491 -14.803 10.307 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -4.219 -15.689 8.885 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.597 -8.671 7.985 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.056 -7.941 9.216 1.00 0.01 C ATOM 2439 C LYS A 154 -10.528 -7.524 9.112 1.00 0.01 C ATOM 2440 O LYS A 154 -11.153 -7.620 8.070 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.197 -6.688 9.400 1.00 0.39 C ATOM 2442 CG LYS A 154 -6.784 -7.096 9.826 1.00 0.48 C ATOM 2443 CD LYS A 154 -5.959 -5.842 10.131 1.00 0.97 C ATOM 2444 CE LYS A 154 -4.606 -6.248 10.717 1.00 1.44 C ATOM 2445 NZ LYS A 154 -4.813 -6.887 12.047 1.00 2.28 N ATOM 0 H LYS A 154 -8.902 -8.261 7.102 1.00 0.00 H new ATOM 0 HA LYS A 154 -8.952 -8.613 10.068 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.158 -6.121 8.470 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.641 -6.037 10.153 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.829 -7.737 10.706 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -6.307 -7.674 9.035 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -5.813 -5.260 9.221 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -6.495 -5.204 10.834 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -4.099 -6.940 10.044 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -3.964 -5.373 10.818 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -3.936 -6.826 12.602 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -5.578 -6.396 12.553 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -5.071 -7.886 11.916 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.066 -7.024 10.199 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.483 -6.542 10.221 1.00 0.01 C ATOM 2461 C GLU A 155 -12.475 -5.022 10.432 1.00 0.01 C ATOM 2462 O GLU A 155 -12.131 -4.544 11.495 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.235 -7.213 11.372 1.00 0.01 C ATOM 2464 CG GLU A 155 -13.215 -8.730 11.179 1.00 0.01 C ATOM 2465 CD GLU A 155 -13.943 -9.402 12.345 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -13.462 -9.294 13.461 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -14.971 -10.013 12.102 1.00 0.01 O ATOM 0 H GLU A 155 -10.574 -6.928 11.087 1.00 0.01 H new ATOM 0 HA GLU A 155 -12.977 -6.789 9.281 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -12.773 -6.951 12.324 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -14.263 -6.854 11.407 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -13.695 -8.994 10.236 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -12.187 -9.087 11.124 1.00 0.01 H new ATOM 2474 N TYR A 156 -12.835 -4.255 9.431 1.00 0.00 N ATOM 2475 CA TYR A 156 -12.830 -2.763 9.574 1.00 0.01 C ATOM 2476 C TYR A 156 -14.252 -2.260 9.824 1.00 0.01 C ATOM 2477 O TYR A 156 -15.121 -2.404 8.986 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.277 -2.145 8.287 1.00 0.01 C ATOM 2479 CG TYR A 156 -10.870 -2.644 8.054 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -9.799 -2.066 8.748 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.637 -3.682 7.146 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.495 -2.528 8.531 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.334 -4.144 6.929 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.263 -3.567 7.622 1.00 0.01 C ATOM 2485 OH TYR A 156 -6.978 -4.023 7.407 1.00 0.01 O ATOM 0 H TYR A 156 -13.133 -4.598 8.518 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.204 -2.476 10.419 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -12.913 -2.409 7.442 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.281 -1.058 8.362 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -9.979 -1.265 9.450 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.463 -4.127 6.612 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.668 -2.083 9.065 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.155 -4.945 6.227 1.00 0.01 H new ATOM 0 HH TYR A 156 -6.353 -3.515 7.965 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.514 -1.705 10.981 1.00 0.01 N ATOM 2496 CA ARG A 157 -15.902 -1.240 11.293 1.00 0.01 C ATOM 2497 C ARG A 157 -16.093 0.242 10.950 1.00 0.00 C ATOM 2498 O ARG A 157 -17.202 0.673 10.700 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.167 -1.440 12.785 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.023 -0.825 13.594 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.396 -0.812 15.078 1.00 0.00 C ATOM 2502 NE ARG A 157 -14.288 -0.200 15.863 1.00 0.01 N ATOM 2503 CZ ARG A 157 -14.495 0.189 17.091 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.673 0.042 17.634 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -13.522 0.725 17.777 1.00 0.01 N ATOM 0 H ARG A 157 -13.829 -1.554 11.722 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.599 -1.822 10.690 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.113 -0.976 13.062 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.255 -2.503 13.010 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.108 -1.398 13.443 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -14.824 0.190 13.249 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -16.317 -0.248 15.228 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -15.584 -1.828 15.426 1.00 0.00 H new ATOM 0 HE ARG A 157 -13.367 -0.085 15.440 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -16.433 -0.377 17.098 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -15.834 0.347 18.594 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -12.601 0.839 17.353 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -13.682 1.030 18.737 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.044 1.031 10.931 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.188 2.489 10.594 1.00 0.01 C ATOM 2521 C LYS A 158 -14.224 2.835 9.445 1.00 0.01 C ATOM 2522 O LYS A 158 -13.196 2.206 9.303 1.00 0.01 O ATOM 2523 CB LYS A 158 -14.825 3.318 11.836 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.025 3.375 12.787 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.589 3.982 14.122 1.00 1.44 C ATOM 2526 CE LYS A 158 -16.767 3.964 15.097 1.00 2.13 C ATOM 2527 NZ LYS A 158 -17.793 4.951 14.655 1.00 2.54 N ATOM 0 H LYS A 158 -14.091 0.729 11.135 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.211 2.708 10.289 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -13.968 2.875 12.343 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.535 4.326 11.540 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -16.823 3.973 12.347 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.426 2.374 12.944 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -14.753 3.418 14.535 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.242 5.004 13.973 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.202 2.966 15.140 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -16.424 4.206 16.103 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -18.472 5.114 15.425 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -17.328 5.848 14.408 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -18.295 4.581 13.823 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.512 3.840 8.644 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.581 4.218 7.541 1.00 0.02 C ATOM 2543 C PRO A 159 -12.214 4.635 8.103 1.00 0.01 C ATOM 2544 O PRO A 159 -11.183 4.267 7.571 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.319 5.391 6.871 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.482 5.811 7.790 1.00 0.70 C ATOM 2547 CD PRO A 159 -15.752 4.658 8.768 1.00 0.28 C ATOM 0 HA PRO A 159 -13.360 3.408 6.846 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.639 6.228 6.711 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.695 5.095 5.892 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.229 6.721 8.334 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.373 6.029 7.202 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -15.903 5.016 9.787 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.642 4.092 8.493 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.183 5.397 9.157 1.00 0.01 N ATOM 2556 CA VAL A 160 -10.870 5.810 9.718 1.00 0.02 C ATOM 2557 C VAL A 160 -10.101 4.554 10.133 1.00 0.02 C ATOM 2558 O VAL A 160 -8.893 4.567 10.260 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.097 6.705 10.938 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -9.763 7.291 11.396 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.053 7.843 10.564 1.00 0.74 C ATOM 0 H VAL A 160 -13.003 5.750 9.651 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.299 6.364 8.973 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.531 6.115 11.746 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -9.925 7.929 12.265 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.082 6.482 11.661 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.329 7.881 10.589 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.216 8.482 11.432 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.619 8.432 9.756 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -13.005 7.426 10.237 1.00 0.74 H new ATOM 2571 N ASP A 161 -10.786 3.462 10.336 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.070 2.219 10.728 1.00 0.01 C ATOM 2573 C ASP A 161 -9.157 1.775 9.581 1.00 0.01 C ATOM 2574 O ASP A 161 -8.253 0.984 9.765 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.086 1.114 11.026 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.387 -0.044 11.743 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.191 0.058 11.965 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.059 -1.011 12.058 1.00 0.00 O ATOM 0 H ASP A 161 -11.799 3.378 10.248 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.472 2.411 11.619 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -11.893 1.505 11.646 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.538 0.762 10.099 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.371 2.305 8.400 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.500 1.945 7.238 1.00 0.01 C ATOM 2585 C TRP A 162 -7.405 3.012 7.119 1.00 0.01 C ATOM 2586 O TRP A 162 -6.675 3.046 6.149 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.327 1.973 5.922 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.727 0.609 5.426 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.013 -0.546 5.519 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.938 0.273 4.691 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.729 -1.560 4.906 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.919 -1.104 4.381 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -12.048 1.031 4.277 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.963 -1.709 3.680 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -13.098 0.427 3.571 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -13.056 -0.938 3.272 1.00 0.01 C ATOM 0 H TRP A 162 -10.113 2.973 8.191 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.083 0.950 7.392 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.225 2.569 6.081 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -8.745 2.474 5.149 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.048 -0.654 5.992 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.414 -2.528 4.850 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.092 2.086 4.505 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.927 -2.765 3.454 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.944 1.020 3.256 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.867 -1.397 2.726 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.268 3.880 8.078 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.205 4.912 7.974 1.00 0.01 C ATOM 2609 C GLY A 163 -6.632 5.992 6.977 1.00 0.01 C ATOM 2610 O GLY A 163 -5.841 6.809 6.552 1.00 0.01 O ATOM 0 H GLY A 163 -7.840 3.920 8.922 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.020 5.358 8.951 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.270 4.454 7.651 1.00 0.01 H new ATOM 2614 N ALA A 164 -7.881 5.977 6.578 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.376 6.972 5.579 1.00 0.02 C ATOM 2616 C ALA A 164 -9.123 8.103 6.284 1.00 0.01 C ATOM 2617 O ALA A 164 -9.838 7.895 7.244 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.354 6.271 4.636 1.00 0.01 C ATOM 0 H ALA A 164 -8.583 5.313 6.905 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.526 7.381 5.032 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.725 6.985 3.900 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.844 5.454 4.125 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.191 5.874 5.210 1.00 0.01 H new ATOM 2624 N ALA A 165 -8.959 9.302 5.797 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.651 10.470 6.409 1.00 0.01 C ATOM 2626 C ALA A 165 -11.067 10.597 5.841 1.00 0.02 C ATOM 2627 O ALA A 165 -11.859 11.383 6.321 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.873 11.750 6.097 1.00 0.59 C ATOM 0 H ALA A 165 -8.370 9.524 4.994 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.704 10.322 7.488 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.381 12.603 6.546 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.865 11.672 6.505 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.817 11.888 5.017 1.00 0.59 H new ATOM 2634 N SER A 166 -11.412 9.827 4.833 1.00 0.01 N ATOM 2635 CA SER A 166 -12.793 9.901 4.258 1.00 0.01 C ATOM 2636 C SER A 166 -13.224 8.485 3.812 1.00 0.02 C ATOM 2637 O SER A 166 -12.386 7.685 3.444 1.00 0.01 O ATOM 2638 CB SER A 166 -12.787 10.833 3.045 1.00 0.72 C ATOM 2639 OG SER A 166 -12.344 10.114 1.902 1.00 0.87 O ATOM 0 H SER A 166 -10.795 9.150 4.384 1.00 0.01 H new ATOM 0 HA SER A 166 -13.487 10.283 5.006 1.00 0.01 H new ATOM 0 HB2 SER A 166 -13.787 11.231 2.873 1.00 0.72 H new ATOM 0 HB3 SER A 166 -12.132 11.685 3.230 1.00 0.72 H new ATOM 0 HG SER A 166 -12.341 10.708 1.123 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.506 8.161 3.822 1.00 0.02 N ATOM 2646 CA PRO A 167 -14.958 6.803 3.381 1.00 0.01 C ATOM 2647 C PRO A 167 -14.944 6.649 1.851 1.00 0.01 C ATOM 2648 O PRO A 167 -15.651 5.824 1.295 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.397 6.772 3.912 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.853 8.229 4.067 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.593 9.088 4.269 1.00 0.22 C ATOM 0 HA PRO A 167 -14.317 5.999 3.743 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.050 6.235 3.224 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.444 6.250 4.868 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.402 8.555 3.184 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.527 8.331 4.917 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.622 10.000 3.673 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.469 9.391 5.309 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.182 7.459 1.165 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.173 7.376 -0.326 1.00 0.01 C ATOM 2661 C ALA A 168 -13.234 6.271 -0.825 1.00 0.01 C ATOM 2662 O ALA A 168 -12.059 6.227 -0.526 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.706 8.713 -0.899 1.00 0.18 C ATOM 0 H ALA A 168 -13.570 8.169 1.568 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.185 7.143 -0.657 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.697 8.659 -1.988 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.386 9.503 -0.580 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.701 8.932 -0.538 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.793 5.385 -1.603 1.00 0.01 N ATOM 2670 CA ILE A 169 -13.030 4.244 -2.188 1.00 0.01 C ATOM 2671 C ILE A 169 -13.651 3.951 -3.552 1.00 0.01 C ATOM 2672 O ILE A 169 -14.853 3.806 -3.661 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.177 3.025 -1.264 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.730 3.418 0.153 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.323 1.854 -1.783 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.630 2.172 1.035 1.00 3.99 C ATOM 0 H ILE A 169 -14.778 5.406 -1.866 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.970 4.475 -2.293 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.219 2.706 -1.246 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.765 3.923 0.112 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.440 4.123 0.585 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.437 0.998 -1.118 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.651 1.581 -2.786 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.275 2.153 -1.813 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.313 2.460 2.037 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.604 1.685 1.089 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.902 1.482 0.608 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.859 3.905 -4.606 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.426 3.668 -5.976 1.00 0.01 C ATOM 2690 C GLN A 170 -13.013 2.313 -6.566 1.00 0.02 C ATOM 2691 O GLN A 170 -13.658 1.840 -7.480 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.953 4.779 -6.912 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.451 6.130 -6.394 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.956 6.251 -6.647 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.405 6.152 -7.772 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.760 6.465 -5.641 1.00 5.17 N ATOM 0 H GLN A 170 -11.846 4.022 -4.574 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.512 3.666 -5.880 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.865 4.779 -6.972 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.328 4.604 -7.920 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.242 6.222 -5.328 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.921 6.941 -6.894 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.384 6.548 -4.696 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.764 6.549 -5.800 1.00 5.17 H new ATOM 2705 N SER A 171 -11.979 1.650 -6.103 1.00 0.01 N ATOM 2706 CA SER A 171 -11.645 0.333 -6.737 1.00 0.01 C ATOM 2707 C SER A 171 -10.807 -0.520 -5.779 1.00 0.01 C ATOM 2708 O SER A 171 -10.194 -0.018 -4.859 1.00 0.01 O ATOM 2709 CB SER A 171 -10.849 0.578 -8.020 1.00 0.01 C ATOM 2710 OG SER A 171 -9.471 0.727 -7.697 1.00 0.02 O ATOM 0 H SER A 171 -11.371 1.949 -5.341 1.00 0.01 H new ATOM 0 HA SER A 171 -12.571 -0.195 -6.966 1.00 0.01 H new ATOM 0 HB2 SER A 171 -10.985 -0.255 -8.710 1.00 0.01 H new ATOM 0 HB3 SER A 171 -11.215 1.473 -8.524 1.00 0.01 H new ATOM 0 HG SER A 171 -9.121 1.537 -8.123 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.749 -1.812 -6.010 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.912 -2.689 -5.131 1.00 0.01 C ATOM 2718 C PHE A 172 -9.437 -3.924 -5.902 1.00 0.01 C ATOM 2719 O PHE A 172 -10.049 -4.347 -6.863 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.671 -3.099 -3.860 1.00 1.06 C ATOM 2721 CG PHE A 172 -12.053 -3.632 -4.174 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.202 -4.894 -4.762 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.187 -2.880 -3.838 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.482 -5.399 -5.019 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.467 -3.387 -4.089 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.614 -4.645 -4.681 1.00 1.92 C ATOM 0 H PHE A 172 -11.241 -2.293 -6.763 1.00 0.01 H new ATOM 0 HA PHE A 172 -9.038 -2.115 -4.822 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.101 -3.860 -3.327 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.756 -2.240 -3.195 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.330 -5.478 -5.017 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -13.073 -1.907 -3.384 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.597 -6.370 -5.478 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.340 -2.808 -3.826 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.601 -5.036 -4.878 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.323 -4.491 -5.500 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.771 -5.684 -6.222 1.00 0.01 C ATOM 2738 C ARG A 173 -7.133 -6.663 -5.228 1.00 0.01 C ATOM 2739 O ARG A 173 -6.626 -6.280 -4.192 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.673 -5.230 -7.194 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.275 -4.486 -8.387 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.161 -3.749 -9.135 1.00 0.01 C ATOM 2743 NE ARG A 173 -4.930 -4.588 -9.158 1.00 0.01 N ATOM 2744 CZ ARG A 173 -3.960 -4.303 -9.984 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -4.070 -3.288 -10.799 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -2.881 -5.038 -9.996 1.00 0.01 N ATOM 0 H ARG A 173 -7.771 -4.178 -4.701 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.589 -6.170 -6.754 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.967 -4.582 -6.675 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.112 -6.096 -7.546 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -7.775 -5.188 -9.054 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -8.030 -3.778 -8.046 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.480 -3.526 -10.153 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -5.953 -2.795 -8.650 1.00 0.01 H new ATOM 0 HE ARG A 173 -4.845 -5.386 -8.528 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -4.915 -2.717 -10.791 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -3.311 -3.067 -11.444 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -2.798 -5.832 -9.361 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -2.121 -4.818 -10.640 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.142 -7.926 -5.559 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.524 -8.952 -4.667 1.00 0.01 C ATOM 2762 C ARG A 174 -5.034 -9.086 -5.009 1.00 0.01 C ATOM 2763 O ARG A 174 -4.650 -9.036 -6.161 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.208 -10.302 -4.886 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.037 -10.729 -6.345 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.941 -11.927 -6.637 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.685 -12.418 -8.021 1.00 0.01 N ATOM 2768 CZ ARG A 174 -8.110 -13.597 -8.384 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.765 -14.345 -7.538 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -7.881 -14.029 -9.593 1.00 0.01 N ATOM 0 H ARG A 174 -7.554 -8.295 -6.416 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.642 -8.646 -3.627 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.777 -11.052 -4.223 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.267 -10.230 -4.639 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.287 -9.901 -7.009 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -5.997 -10.990 -6.539 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.752 -12.723 -5.917 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.987 -11.641 -6.529 1.00 0.01 H new ATOM 0 HE ARG A 174 -7.178 -11.832 -8.684 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -8.945 -14.008 -6.592 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -9.097 -15.267 -7.823 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -7.370 -13.445 -10.255 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.213 -14.951 -9.877 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.192 -9.275 -4.021 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.730 -9.435 -4.312 1.00 0.01 C ATOM 2786 C ILE A 175 -2.410 -10.925 -4.455 1.00 0.00 C ATOM 2787 O ILE A 175 -2.746 -11.719 -3.601 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.871 -8.858 -3.179 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.354 -7.452 -2.806 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.416 -8.781 -3.649 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.395 -6.842 -1.772 1.00 3.04 C ATOM 0 H ILE A 175 -4.449 -9.325 -3.035 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.504 -8.897 -5.232 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.953 -9.503 -2.304 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.397 -6.822 -3.695 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.364 -7.498 -2.399 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.203 -8.372 -2.851 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.063 -9.780 -3.906 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.350 -8.136 -4.525 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.736 -5.842 -1.505 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.375 -7.469 -0.880 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.393 -6.782 -2.196 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.766 -11.313 -5.529 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.425 -12.757 -5.730 1.00 0.00 C ATOM 2805 C VAL A 176 0.015 -12.879 -6.232 1.00 0.01 C ATOM 2806 O VAL A 176 0.503 -12.035 -6.957 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.364 -13.366 -6.773 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.211 -12.620 -8.100 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -2.012 -14.841 -6.976 1.00 1.89 C ATOM 0 H VAL A 176 -1.461 -10.690 -6.277 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.533 -13.284 -4.782 1.00 0.00 H new ATOM 0 HB VAL A 176 -3.394 -13.280 -6.426 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.881 -13.055 -8.842 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.462 -11.569 -7.957 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.181 -12.703 -8.448 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -2.681 -15.276 -7.719 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.982 -14.925 -7.322 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -2.123 -15.375 -6.032 1.00 1.89 H new ATOM 2819 N GLU A 177 0.699 -13.923 -5.853 1.00 0.01 N ATOM 2820 CA GLU A 177 2.106 -14.106 -6.305 1.00 0.01 C ATOM 2821 C GLU A 177 2.146 -14.159 -7.833 1.00 0.01 C ATOM 2822 CB GLU A 177 2.662 -15.412 -5.735 1.00 2.15 C ATOM 2823 CG GLU A 177 4.103 -15.603 -6.213 1.00 3.19 C ATOM 2824 CD GLU A 177 4.749 -16.759 -5.445 1.00 4.20 C ATOM 2825 OE1 GLU A 177 4.275 -17.062 -4.362 1.00 4.89 O ATOM 2826 OE2 GLU A 177 5.706 -17.320 -5.953 1.00 4.77 O ATOM 0 H GLU A 177 0.341 -14.661 -5.246 1.00 0.01 H new ATOM 0 HA GLU A 177 2.712 -13.271 -5.953 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.629 -15.389 -4.646 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.047 -16.253 -6.055 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.118 -15.811 -7.283 1.00 3.19 H new ATOM 0 HG3 GLU A 177 4.673 -14.687 -6.058 1.00 3.19 H new