USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1094 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 HIS : no HE2:sc= 0.352 K(o=0.75,f=-1.7) USER MOD Set 1.2: B 62 HIS : no HE2:sc= 0.399 K(o=0.75,f=-2.8) USER MOD Set 2.1: B 59 HIS : no HD1:sc= 0.0262 X(o=0.052,f=0) USER MOD Set 2.2: B 61 HIS :FLIP no HD1:sc= 0.026 F(o=-0.52,f=0.052) USER MOD Set 3.1: B 47 ASN : amide:sc= -0.0298 K(o=-0.03,f=-1.2!) USER MOD Set 3.2: B 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0294) USER MOD Set 4.1: A 24 HIS : no HD1:sc=-0.00924 K(o=-1.8,f=-2.4) USER MOD Set 4.2: B 46 MET CE :methyl -168:sc= -1.82 (180deg=-2.38!) USER MOD Set 5.1: A 46 MET CE :methyl -156:sc= -2.27 (180deg=-3.23) USER MOD Set 5.2: B 24 HIS : no HD1:sc= -0.917 K(o=-3.2,f=-3.9) USER MOD Set 6.1: A 8 ASN : amide:sc= -0.14 K(o=1.1,f=-1.2!) USER MOD Set 6.2: A 12 ASN : amide:sc= 1.2 K(o=1.1,f=-0.13) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.86 (180deg=1.6) USER MOD Single : A 3 MET CE :methyl -167:sc= -0.0838 (180deg=-0.378) USER MOD Single : A 5 GLN : amide:sc= -0.545 K(o=-0.55,f=-6.6!) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= 1.06 (180deg=0.4) USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0543) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 1.25 (180deg=0.931) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 1.76 (180deg=1.62) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0275 K(o=-0.028,f=-2.8!) USER MOD Single : A 28 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.064) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 1.93 (180deg=1.54) USER MOD Single : A 35 SER OG : rot -76:sc= 1.21 USER MOD Single : A 40 LYS NZ :NH3+ -146:sc= 1.25 (180deg=1.12) USER MOD Single : A 43 ASN : amide:sc= 1.14 K(o=1.1,f=-0.029) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0.605 (180deg=0.336) USER MOD Single : A 47 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.2) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= -2.22! (180deg=-4.14!) USER MOD Single : A 53 HIS :FLIP no HE2:sc= 0.0156 F(o=-1.1,f=0.016) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.8!) USER MOD Single : A 58 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.00098) USER MOD Single : A 59 HIS : no HD1:sc=-0.00209 X(o=-0.0021,f=-0.29) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl 164:sc= -0.0606 (180deg=-0.386) USER MOD Single : B 1 MET N :NH3+ 175:sc= 1.66 (180deg=1.41) USER MOD Single : B 3 MET CE :methyl -161:sc= -0.0947 (180deg=-0.49) USER MOD Single : B 5 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.44) USER MOD Single : B 7 LYS NZ :NH3+ 140:sc= 1.2 (180deg=-0.617!) USER MOD Single : B 8 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 13 LYS NZ :NH3+ -169:sc= 2.42 (180deg=1.92) USER MOD Single : B 14 LYS NZ :NH3+ -149:sc= 0.357 (180deg=0.0766) USER MOD Single : B 15 LYS NZ :NH3+ -141:sc= -0.112 (180deg=-1.56!) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=-0.00016) USER MOD Single : B 30 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.17) USER MOD Single : B 35 SER OG : rot -82:sc= 1.16 USER MOD Single : B 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.062) USER MOD Single : B 43 ASN : amide:sc= 0.784 K(o=0.78,f=-3.9!) USER MOD Single : B 44 LYS NZ :NH3+ -171:sc= -0.0232 (180deg=-0.153) USER MOD Single : B 51 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0219) USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : B 54 LYS NZ :NH3+ 165:sc= 1.2 (180deg=1.04) USER MOD Single : B 57 HIS : no HD1:sc=-0.00786 X(o=-0.0079,f=0) USER MOD Single : B 58 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=-0.0027) USER MOD Single : B 60 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.290 -17.048 -3.351 1.00 0.00 N ATOM 2 CA MET A 1 18.581 -15.907 -2.789 1.00 0.00 C ATOM 3 C MET A 1 17.266 -16.409 -2.286 1.00 0.00 C ATOM 4 O MET A 1 16.342 -16.692 -3.064 1.00 0.00 O ATOM 5 CB MET A 1 18.360 -14.782 -3.826 1.00 0.00 C ATOM 6 CG MET A 1 19.637 -14.178 -4.409 1.00 0.00 C ATOM 7 SD MET A 1 20.546 -15.328 -5.471 1.00 0.00 S ATOM 8 CE MET A 1 21.979 -14.342 -5.892 1.00 0.00 C ATOM 0 H1 MET A 1 20.151 -16.719 -3.833 1.00 0.00 H new ATOM 0 H2 MET A 1 19.550 -17.705 -2.588 1.00 0.00 H new ATOM 0 H3 MET A 1 18.676 -17.536 -4.034 1.00 0.00 H new ATOM 0 HA MET A 1 19.177 -15.471 -1.987 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.757 -15.176 -4.644 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.781 -13.986 -3.358 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.381 -13.287 -4.983 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.285 -13.856 -3.594 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.637 -14.916 -6.545 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.659 -13.436 -6.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.516 -14.073 -4.982 1.00 0.00 H new ATOM 20 N GLU A 2 17.184 -16.568 -1.003 1.00 0.00 N ATOM 21 CA GLU A 2 16.046 -17.184 -0.388 1.00 0.00 C ATOM 22 C GLU A 2 15.057 -16.153 0.072 1.00 0.00 C ATOM 23 O GLU A 2 15.414 -14.981 0.262 1.00 0.00 O ATOM 24 CB GLU A 2 16.472 -18.129 0.749 1.00 0.00 C ATOM 25 CG GLU A 2 17.262 -19.383 0.299 1.00 0.00 C ATOM 26 CD GLU A 2 18.625 -19.092 -0.326 1.00 0.00 C ATOM 27 OE1 GLU A 2 19.598 -18.907 0.415 1.00 0.00 O ATOM 28 OE2 GLU A 2 18.744 -19.054 -1.573 1.00 0.00 O ATOM 0 H GLU A 2 17.907 -16.273 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 2 15.544 -17.796 -1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.083 -17.569 1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.580 -18.453 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.405 -20.034 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.659 -19.936 -0.421 1.00 0.00 H new ATOM 35 N MET A 3 13.811 -16.586 0.262 1.00 0.00 N ATOM 36 CA MET A 3 12.718 -15.688 0.637 1.00 0.00 C ATOM 37 C MET A 3 12.967 -14.967 1.942 1.00 0.00 C ATOM 38 O MET A 3 12.421 -13.902 2.156 1.00 0.00 O ATOM 39 CB MET A 3 11.348 -16.383 0.656 1.00 0.00 C ATOM 40 CG MET A 3 10.854 -16.832 -0.717 1.00 0.00 C ATOM 41 SD MET A 3 9.169 -17.504 -0.695 1.00 0.00 S ATOM 42 CE MET A 3 9.335 -18.848 0.476 1.00 0.00 C ATOM 0 H MET A 3 13.532 -17.562 0.161 1.00 0.00 H new ATOM 0 HA MET A 3 12.693 -14.937 -0.153 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.403 -17.252 1.312 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.614 -15.703 1.089 1.00 0.00 H new ATOM 0 HG2 MET A 3 10.890 -15.985 -1.402 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.533 -17.589 -1.109 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.456 -19.490 0.420 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.225 -19.430 0.238 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.425 -18.443 1.484 1.00 0.00 H new ATOM 52 N GLY A 4 13.813 -15.529 2.790 1.00 0.00 N ATOM 53 CA GLY A 4 14.145 -14.871 4.049 1.00 0.00 C ATOM 54 C GLY A 4 14.932 -13.598 3.806 1.00 0.00 C ATOM 55 O GLY A 4 14.599 -12.534 4.328 1.00 0.00 O ATOM 0 H GLY A 4 14.277 -16.424 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.230 -14.639 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.726 -15.548 4.675 1.00 0.00 H new ATOM 59 N GLN A 5 15.938 -13.708 2.954 1.00 0.00 N ATOM 60 CA GLN A 5 16.798 -12.581 2.581 1.00 0.00 C ATOM 61 C GLN A 5 15.987 -11.578 1.777 1.00 0.00 C ATOM 62 O GLN A 5 16.148 -10.360 1.903 1.00 0.00 O ATOM 63 CB GLN A 5 17.938 -13.080 1.715 1.00 0.00 C ATOM 64 CG GLN A 5 18.827 -14.121 2.362 1.00 0.00 C ATOM 65 CD GLN A 5 19.703 -14.815 1.347 1.00 0.00 C ATOM 66 OE1 GLN A 5 19.308 -15.006 0.186 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.879 -15.191 1.749 1.00 0.00 N ATOM 0 H GLN A 5 16.188 -14.584 2.495 1.00 0.00 H new ATOM 0 HA GLN A 5 17.191 -12.113 3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.522 -13.499 0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.553 -12.228 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.452 -13.647 3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.210 -14.859 2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.169 -15.017 2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.513 -15.661 1.102 1.00 0.00 H new ATOM 76 N LEU A 6 15.112 -12.111 0.956 1.00 0.00 N ATOM 77 CA LEU A 6 14.241 -11.323 0.127 1.00 0.00 C ATOM 78 C LEU A 6 13.277 -10.509 1.013 1.00 0.00 C ATOM 79 O LEU A 6 13.101 -9.308 0.809 1.00 0.00 O ATOM 80 CB LEU A 6 13.529 -12.271 -0.876 1.00 0.00 C ATOM 81 CG LEU A 6 12.560 -11.684 -1.921 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.211 -11.394 -1.328 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.135 -10.434 -2.566 1.00 0.00 C ATOM 0 H LEU A 6 14.987 -13.117 0.847 1.00 0.00 H new ATOM 0 HA LEU A 6 14.796 -10.591 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.304 -12.814 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.974 -13.006 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 6 12.430 -12.441 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.557 -10.982 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.778 -12.316 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.317 -10.674 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.428 -10.044 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.317 -9.680 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.073 -10.680 -3.063 1.00 0.00 H new ATOM 95 N LYS A 7 12.701 -11.165 2.007 1.00 0.00 N ATOM 96 CA LYS A 7 11.814 -10.520 2.975 1.00 0.00 C ATOM 97 C LYS A 7 12.538 -9.455 3.754 1.00 0.00 C ATOM 98 O LYS A 7 11.970 -8.414 4.057 1.00 0.00 O ATOM 99 CB LYS A 7 11.214 -11.549 3.930 1.00 0.00 C ATOM 100 CG LYS A 7 9.726 -11.731 3.753 1.00 0.00 C ATOM 101 CD LYS A 7 8.924 -10.538 4.292 1.00 0.00 C ATOM 102 CE LYS A 7 8.933 -10.497 5.815 1.00 0.00 C ATOM 103 NZ LYS A 7 7.981 -9.504 6.354 1.00 0.00 N ATOM 0 H LYS A 7 12.833 -12.163 2.170 1.00 0.00 H new ATOM 0 HA LYS A 7 11.007 -10.047 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.711 -12.507 3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.416 -11.243 4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.502 -11.868 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.410 -12.640 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.343 -9.611 3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.896 -10.599 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.684 -11.484 6.204 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.938 -10.260 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.195 -9.326 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.066 -8.616 5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.011 -9.870 6.266 1.00 0.00 H new ATOM 117 N ASN A 8 13.797 -9.718 4.048 1.00 0.00 N ATOM 118 CA ASN A 8 14.658 -8.776 4.757 1.00 0.00 C ATOM 119 C ASN A 8 14.747 -7.475 3.938 1.00 0.00 C ATOM 120 O ASN A 8 14.613 -6.365 4.476 1.00 0.00 O ATOM 121 CB ASN A 8 16.060 -9.401 4.932 1.00 0.00 C ATOM 122 CG ASN A 8 17.019 -8.617 5.830 1.00 0.00 C ATOM 123 OD1 ASN A 8 16.930 -7.401 5.981 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.965 -9.309 6.398 1.00 0.00 N ATOM 0 H ASN A 8 14.258 -10.594 3.803 1.00 0.00 H new ATOM 0 HA ASN A 8 14.249 -8.553 5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.944 -10.404 5.342 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.517 -9.509 3.948 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.656 -8.842 6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.015 -10.318 6.255 1.00 0.00 H new ATOM 131 N LYS A 9 14.926 -7.624 2.627 1.00 0.00 N ATOM 132 CA LYS A 9 14.972 -6.480 1.724 1.00 0.00 C ATOM 133 C LYS A 9 13.615 -5.790 1.652 1.00 0.00 C ATOM 134 O LYS A 9 13.545 -4.558 1.642 1.00 0.00 O ATOM 135 CB LYS A 9 15.419 -6.888 0.317 1.00 0.00 C ATOM 136 CG LYS A 9 16.832 -7.438 0.220 1.00 0.00 C ATOM 137 CD LYS A 9 17.868 -6.442 0.722 1.00 0.00 C ATOM 138 CE LYS A 9 19.289 -6.933 0.467 1.00 0.00 C ATOM 139 NZ LYS A 9 19.573 -8.234 1.105 1.00 0.00 N ATOM 0 H LYS A 9 15.041 -8.527 2.168 1.00 0.00 H new ATOM 0 HA LYS A 9 15.706 -5.783 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.727 -7.640 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.338 -6.021 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.903 -8.358 0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.050 -7.696 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.720 -5.482 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.726 -6.276 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.451 -7.019 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.996 -6.191 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.583 -8.460 0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.334 -8.184 2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.003 -8.975 0.651 1.00 0.00 H new ATOM 153 N ILE A 10 12.545 -6.590 1.603 1.00 0.00 N ATOM 154 CA ILE A 10 11.177 -6.073 1.574 1.00 0.00 C ATOM 155 C ILE A 10 10.919 -5.191 2.780 1.00 0.00 C ATOM 156 O ILE A 10 10.476 -4.058 2.627 1.00 0.00 O ATOM 157 CB ILE A 10 10.106 -7.215 1.502 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.160 -7.909 0.138 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.691 -6.696 1.795 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.137 -9.013 -0.039 1.00 0.00 C ATOM 0 H ILE A 10 12.604 -7.608 1.582 1.00 0.00 H new ATOM 0 HA ILE A 10 11.080 -5.481 0.664 1.00 0.00 H new ATOM 0 HB ILE A 10 10.347 -7.942 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.011 -7.163 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.157 -8.326 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.981 -7.521 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.662 -6.265 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.424 -5.933 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.243 -9.452 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.297 -9.782 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.134 -8.600 0.070 1.00 0.00 H new ATOM 172 N GLU A 11 11.241 -5.703 3.963 1.00 0.00 N ATOM 173 CA GLU A 11 11.059 -4.970 5.206 1.00 0.00 C ATOM 174 C GLU A 11 11.782 -3.649 5.179 1.00 0.00 C ATOM 175 O GLU A 11 11.174 -2.611 5.394 1.00 0.00 O ATOM 176 CB GLU A 11 11.526 -5.785 6.407 1.00 0.00 C ATOM 177 CG GLU A 11 10.698 -7.016 6.665 1.00 0.00 C ATOM 178 CD GLU A 11 9.253 -6.685 6.867 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.881 -6.223 7.951 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.449 -6.870 5.945 1.00 0.00 O ATOM 0 H GLU A 11 11.635 -6.636 4.085 1.00 0.00 H new ATOM 0 HA GLU A 11 9.990 -4.781 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.563 -6.082 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.505 -5.152 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.799 -7.704 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.079 -7.531 7.547 1.00 0.00 H new ATOM 187 N ASN A 12 13.059 -3.689 4.855 1.00 0.00 N ATOM 188 CA ASN A 12 13.892 -2.518 4.817 1.00 0.00 C ATOM 189 C ASN A 12 13.379 -1.476 3.846 1.00 0.00 C ATOM 190 O ASN A 12 13.282 -0.301 4.186 1.00 0.00 O ATOM 191 CB ASN A 12 15.314 -2.908 4.462 1.00 0.00 C ATOM 192 CG ASN A 12 16.146 -3.346 5.650 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.798 -2.534 6.295 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.150 -4.613 5.943 1.00 0.00 N ATOM 0 H ASN A 12 13.547 -4.550 4.609 1.00 0.00 H new ATOM 0 HA ASN A 12 13.869 -2.069 5.810 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.287 -3.717 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.803 -2.061 3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.706 -4.953 6.728 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.597 -5.266 5.388 1.00 0.00 H new ATOM 201 N LYS A 13 13.000 -1.914 2.664 1.00 0.00 N ATOM 202 CA LYS A 13 12.551 -1.013 1.617 1.00 0.00 C ATOM 203 C LYS A 13 11.173 -0.426 1.977 1.00 0.00 C ATOM 204 O LYS A 13 10.908 0.754 1.754 1.00 0.00 O ATOM 205 CB LYS A 13 12.522 -1.773 0.280 1.00 0.00 C ATOM 206 CG LYS A 13 12.492 -0.898 -0.966 1.00 0.00 C ATOM 207 CD LYS A 13 13.701 0.040 -1.024 1.00 0.00 C ATOM 208 CE LYS A 13 15.048 -0.667 -1.110 1.00 0.00 C ATOM 209 NZ LYS A 13 15.313 -1.228 -2.453 1.00 0.00 N ATOM 0 H LYS A 13 12.993 -2.899 2.400 1.00 0.00 H new ATOM 0 HA LYS A 13 13.241 -0.175 1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.399 -2.419 0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.647 -2.422 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.477 -1.529 -1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.574 -0.311 -0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.594 0.696 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.695 0.675 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.840 0.036 -0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.081 -1.469 -0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.173 -1.811 -2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.507 -1.815 -2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.445 -0.453 -3.133 1.00 0.00 H new ATOM 223 N LYS A 14 10.329 -1.259 2.562 1.00 0.00 N ATOM 224 CA LYS A 14 9.010 -0.867 3.044 1.00 0.00 C ATOM 225 C LYS A 14 9.155 0.196 4.130 1.00 0.00 C ATOM 226 O LYS A 14 8.480 1.209 4.119 1.00 0.00 O ATOM 227 CB LYS A 14 8.327 -2.099 3.633 1.00 0.00 C ATOM 228 CG LYS A 14 6.942 -1.876 4.215 1.00 0.00 C ATOM 229 CD LYS A 14 6.444 -3.140 4.906 1.00 0.00 C ATOM 230 CE LYS A 14 7.200 -3.407 6.193 1.00 0.00 C ATOM 231 NZ LYS A 14 6.913 -4.741 6.749 1.00 0.00 N ATOM 0 H LYS A 14 10.542 -2.244 2.719 1.00 0.00 H new ATOM 0 HA LYS A 14 8.419 -0.461 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.254 -2.858 2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.967 -2.506 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.969 -1.051 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.250 -1.591 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.380 -3.042 5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.556 -3.991 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.270 -3.317 6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.939 -2.646 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.440 -4.868 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.894 -4.827 6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.202 -5.471 6.067 1.00 0.00 H new ATOM 245 N LYS A 15 10.047 -0.062 5.055 1.00 0.00 N ATOM 246 CA LYS A 15 10.332 0.833 6.166 1.00 0.00 C ATOM 247 C LYS A 15 10.868 2.165 5.690 1.00 0.00 C ATOM 248 O LYS A 15 10.462 3.208 6.214 1.00 0.00 O ATOM 249 CB LYS A 15 11.271 0.169 7.173 1.00 0.00 C ATOM 250 CG LYS A 15 10.613 -0.994 7.908 1.00 0.00 C ATOM 251 CD LYS A 15 11.599 -1.815 8.727 1.00 0.00 C ATOM 252 CE LYS A 15 12.264 -1.003 9.830 1.00 0.00 C ATOM 253 NZ LYS A 15 13.166 -1.839 10.653 1.00 0.00 N ATOM 0 H LYS A 15 10.609 -0.913 5.063 1.00 0.00 H new ATOM 0 HA LYS A 15 9.391 1.039 6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.160 -0.190 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.604 0.911 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.836 -0.607 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.122 -1.643 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.079 -2.664 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.366 -2.220 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.830 -0.183 9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.499 -0.557 10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.602 -1.254 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.621 -2.607 11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.910 -2.244 10.050 1.00 0.00 H new ATOM 267 N GLU A 16 11.743 2.137 4.674 1.00 0.00 N ATOM 268 CA GLU A 16 12.249 3.364 4.061 1.00 0.00 C ATOM 269 C GLU A 16 11.074 4.186 3.507 1.00 0.00 C ATOM 270 O GLU A 16 11.060 5.424 3.602 1.00 0.00 O ATOM 271 CB GLU A 16 13.251 3.073 2.925 1.00 0.00 C ATOM 272 CG GLU A 16 14.573 2.446 3.332 1.00 0.00 C ATOM 273 CD GLU A 16 15.541 2.361 2.158 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.205 1.771 1.126 1.00 0.00 O ATOM 275 OE2 GLU A 16 16.634 2.943 2.223 1.00 0.00 O ATOM 0 H GLU A 16 12.111 1.279 4.264 1.00 0.00 H new ATOM 0 HA GLU A 16 12.774 3.926 4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.768 2.413 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.462 4.009 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 16 15.023 3.033 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.395 1.447 3.730 1.00 0.00 H new ATOM 282 N LEU A 17 10.085 3.482 2.961 1.00 0.00 N ATOM 283 CA LEU A 17 8.892 4.103 2.413 1.00 0.00 C ATOM 284 C LEU A 17 8.038 4.682 3.509 1.00 0.00 C ATOM 285 O LEU A 17 7.578 5.809 3.401 1.00 0.00 O ATOM 286 CB LEU A 17 8.045 3.101 1.650 1.00 0.00 C ATOM 287 CG LEU A 17 6.685 3.624 1.222 1.00 0.00 C ATOM 288 CD1 LEU A 17 6.735 4.498 0.029 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.669 2.550 1.145 1.00 0.00 C ATOM 0 H LEU A 17 10.093 2.465 2.888 1.00 0.00 H new ATOM 0 HA LEU A 17 9.232 4.889 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.593 2.781 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.901 2.217 2.272 1.00 0.00 H new ATOM 0 HG LEU A 17 6.349 4.287 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.728 4.834 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.365 5.363 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.149 3.942 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.714 2.974 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.986 1.801 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.558 2.083 2.124 1.00 0.00 H new ATOM 301 N ILE A 18 7.799 3.889 4.547 1.00 0.00 N ATOM 302 CA ILE A 18 6.977 4.310 5.679 1.00 0.00 C ATOM 303 C ILE A 18 7.508 5.607 6.251 1.00 0.00 C ATOM 304 O ILE A 18 6.742 6.495 6.554 1.00 0.00 O ATOM 305 CB ILE A 18 6.902 3.224 6.794 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.300 1.936 6.222 1.00 0.00 C ATOM 307 CG2 ILE A 18 6.066 3.720 7.998 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.431 0.746 7.134 1.00 0.00 C ATOM 0 H ILE A 18 8.166 2.941 4.629 1.00 0.00 H new ATOM 0 HA ILE A 18 5.964 4.460 5.306 1.00 0.00 H new ATOM 0 HB ILE A 18 7.913 3.022 7.149 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.244 2.103 6.008 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.786 1.710 5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.030 2.942 8.761 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.525 4.617 8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.053 3.951 7.667 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.982 -0.127 6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.486 0.551 7.328 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.920 0.951 8.075 1.00 0.00 H new ATOM 320 N GLN A 19 8.832 5.713 6.343 1.00 0.00 N ATOM 321 CA GLN A 19 9.478 6.933 6.807 1.00 0.00 C ATOM 322 C GLN A 19 9.089 8.115 5.924 1.00 0.00 C ATOM 323 O GLN A 19 8.763 9.184 6.424 1.00 0.00 O ATOM 324 CB GLN A 19 10.992 6.785 6.816 1.00 0.00 C ATOM 325 CG GLN A 19 11.509 5.704 7.730 1.00 0.00 C ATOM 326 CD GLN A 19 13.011 5.647 7.758 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.637 4.952 6.965 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.598 6.347 8.689 1.00 0.00 N ATOM 0 H GLN A 19 9.479 4.963 6.100 1.00 0.00 H new ATOM 0 HA GLN A 19 9.139 7.116 7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.330 6.577 5.801 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.436 7.736 7.111 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.136 5.876 8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.118 4.740 7.406 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.041 6.913 9.329 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.614 6.329 8.777 1.00 0.00 H new ATOM 337 N LEU A 20 9.081 7.889 4.620 1.00 0.00 N ATOM 338 CA LEU A 20 8.727 8.912 3.648 1.00 0.00 C ATOM 339 C LEU A 20 7.252 9.314 3.773 1.00 0.00 C ATOM 340 O LEU A 20 6.937 10.504 3.843 1.00 0.00 O ATOM 341 CB LEU A 20 9.040 8.445 2.223 1.00 0.00 C ATOM 342 CG LEU A 20 10.512 8.182 1.903 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.653 7.581 0.524 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.311 9.474 1.990 1.00 0.00 C ATOM 0 H LEU A 20 9.320 6.989 4.204 1.00 0.00 H new ATOM 0 HA LEU A 20 9.333 9.792 3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.480 7.530 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.668 9.197 1.527 1.00 0.00 H new ATOM 0 HG LEU A 20 10.902 7.475 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.707 7.400 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.107 6.639 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.247 8.270 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.357 9.271 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.915 10.195 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.234 9.882 2.998 1.00 0.00 H new ATOM 356 N VAL A 21 6.354 8.328 3.818 1.00 0.00 N ATOM 357 CA VAL A 21 4.926 8.606 3.966 1.00 0.00 C ATOM 358 C VAL A 21 4.639 9.266 5.339 1.00 0.00 C ATOM 359 O VAL A 21 3.783 10.145 5.463 1.00 0.00 O ATOM 360 CB VAL A 21 4.094 7.305 3.826 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.617 7.605 3.734 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.538 6.510 2.619 1.00 0.00 C ATOM 0 H VAL A 21 6.589 7.337 3.755 1.00 0.00 H new ATOM 0 HA VAL A 21 4.635 9.295 3.173 1.00 0.00 H new ATOM 0 HB VAL A 21 4.266 6.709 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.062 6.672 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.295 8.127 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.427 8.233 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.940 5.602 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.405 7.110 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.590 6.244 2.725 1.00 0.00 H new ATOM 372 N ALA A 22 5.384 8.851 6.348 1.00 0.00 N ATOM 373 CA ALA A 22 5.238 9.375 7.696 1.00 0.00 C ATOM 374 C ALA A 22 5.659 10.828 7.769 1.00 0.00 C ATOM 375 O ALA A 22 4.893 11.681 8.254 1.00 0.00 O ATOM 376 CB ALA A 22 6.037 8.547 8.685 1.00 0.00 C ATOM 0 H ALA A 22 6.109 8.140 6.256 1.00 0.00 H new ATOM 0 HA ALA A 22 4.183 9.313 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.913 8.957 9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.681 7.517 8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.092 8.571 8.411 1.00 0.00 H new ATOM 382 N ARG A 23 6.858 11.118 7.242 1.00 0.00 N ATOM 383 CA ARG A 23 7.418 12.466 7.258 1.00 0.00 C ATOM 384 C ARG A 23 6.600 13.424 6.408 1.00 0.00 C ATOM 385 O ARG A 23 6.758 14.630 6.525 1.00 0.00 O ATOM 386 CB ARG A 23 8.911 12.504 6.863 1.00 0.00 C ATOM 387 CG ARG A 23 9.211 12.089 5.430 1.00 0.00 C ATOM 388 CD ARG A 23 10.709 12.109 5.133 1.00 0.00 C ATOM 389 NE ARG A 23 11.275 13.459 5.259 1.00 0.00 N ATOM 390 CZ ARG A 23 12.579 13.764 5.315 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.502 12.813 5.244 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.948 15.039 5.448 1.00 0.00 N ATOM 0 H ARG A 23 7.459 10.425 6.796 1.00 0.00 H new ATOM 0 HA ARG A 23 7.362 12.802 8.293 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.286 13.516 7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.466 11.852 7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.819 11.088 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.696 12.760 4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.224 11.434 5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.884 11.735 4.124 1.00 0.00 H new ATOM 0 HE ARG A 23 10.615 14.235 5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.222 11.837 5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.491 13.058 5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.240 15.771 5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.938 15.282 5.492 1.00 0.00 H new ATOM 406 N HIS A 24 5.782 12.874 5.505 1.00 0.00 N ATOM 407 CA HIS A 24 4.859 13.671 4.716 1.00 0.00 C ATOM 408 C HIS A 24 3.936 14.453 5.650 1.00 0.00 C ATOM 409 O HIS A 24 3.839 15.688 5.568 1.00 0.00 O ATOM 410 CB HIS A 24 4.016 12.777 3.772 1.00 0.00 C ATOM 411 CG HIS A 24 2.956 13.540 3.014 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.617 13.579 3.359 1.00 0.00 N ATOM 413 CD2 HIS A 24 3.076 14.329 1.936 1.00 0.00 C ATOM 414 CE1 HIS A 24 0.993 14.377 2.501 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.836 14.865 1.609 1.00 0.00 N ATOM 0 H HIS A 24 5.746 11.874 5.307 1.00 0.00 H new ATOM 0 HA HIS A 24 5.436 14.362 4.102 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.679 12.286 3.060 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.539 11.991 4.358 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.996 14.519 1.403 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.064 14.598 2.529 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.622 15.502 0.841 1.00 0.00 H new ATOM 423 N GLY A 25 3.294 13.736 6.542 1.00 0.00 N ATOM 424 CA GLY A 25 2.400 14.365 7.465 1.00 0.00 C ATOM 425 C GLY A 25 1.514 13.377 8.174 1.00 0.00 C ATOM 426 O GLY A 25 0.312 13.601 8.312 1.00 0.00 O ATOM 0 H GLY A 25 3.378 12.724 6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.977 14.924 8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.781 15.086 6.932 1.00 0.00 H new ATOM 430 N LEU A 26 2.074 12.259 8.596 1.00 0.00 N ATOM 431 CA LEU A 26 1.304 11.303 9.367 1.00 0.00 C ATOM 432 C LEU A 26 1.633 11.400 10.810 1.00 0.00 C ATOM 433 O LEU A 26 2.790 11.632 11.189 1.00 0.00 O ATOM 434 CB LEU A 26 1.517 9.863 8.918 1.00 0.00 C ATOM 435 CG LEU A 26 1.046 9.519 7.534 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.186 8.039 7.234 1.00 0.00 C ATOM 437 CD2 LEU A 26 -0.352 10.040 7.236 1.00 0.00 C ATOM 0 H LEU A 26 3.043 11.993 8.422 1.00 0.00 H new ATOM 0 HA LEU A 26 0.259 11.561 9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.582 9.639 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.010 9.206 9.625 1.00 0.00 H new ATOM 0 HG LEU A 26 1.712 10.044 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.833 7.838 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.233 7.748 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.592 7.466 7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.636 9.760 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.060 9.608 7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.363 11.126 7.329 1.00 0.00 H new ATOM 449 N ASP A 27 0.639 11.212 11.613 1.00 0.00 N ATOM 450 CA ASP A 27 0.827 11.198 13.049 1.00 0.00 C ATOM 451 C ASP A 27 1.219 9.805 13.438 1.00 0.00 C ATOM 452 O ASP A 27 1.246 8.914 12.574 1.00 0.00 O ATOM 453 CB ASP A 27 -0.426 11.642 13.836 1.00 0.00 C ATOM 454 CG ASP A 27 -1.533 10.638 13.933 1.00 0.00 C ATOM 455 OD1 ASP A 27 -2.343 10.528 13.005 1.00 0.00 O ATOM 456 OD2 ASP A 27 -1.643 9.993 14.962 1.00 0.00 O ATOM 0 H ASP A 27 -0.323 11.064 11.309 1.00 0.00 H new ATOM 0 HA ASP A 27 1.603 11.920 13.303 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.119 11.913 14.846 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.821 12.545 13.371 1.00 0.00 H new ATOM 461 N HIS A 28 1.484 9.594 14.705 1.00 0.00 N ATOM 462 CA HIS A 28 1.931 8.302 15.194 1.00 0.00 C ATOM 463 C HIS A 28 0.907 7.227 14.865 1.00 0.00 C ATOM 464 O HIS A 28 1.267 6.146 14.424 1.00 0.00 O ATOM 465 CB HIS A 28 2.193 8.372 16.698 1.00 0.00 C ATOM 466 CG HIS A 28 2.858 7.157 17.276 1.00 0.00 C ATOM 467 ND1 HIS A 28 4.202 6.883 17.137 1.00 0.00 N ATOM 468 CD2 HIS A 28 2.348 6.151 18.029 1.00 0.00 C ATOM 469 CE1 HIS A 28 4.465 5.751 17.795 1.00 0.00 C ATOM 470 NE2 HIS A 28 3.370 5.261 18.359 1.00 0.00 N ATOM 0 H HIS A 28 1.398 10.308 15.428 1.00 0.00 H new ATOM 0 HA HIS A 28 2.865 8.038 14.697 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.815 9.243 16.904 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.244 8.529 17.211 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.314 6.054 18.326 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.442 5.295 17.859 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.291 4.411 18.917 1.00 0.00 H new ATOM 478 N ASP A 29 -0.366 7.582 14.969 1.00 0.00 N ATOM 479 CA ASP A 29 -1.456 6.640 14.708 1.00 0.00 C ATOM 480 C ASP A 29 -1.484 6.272 13.253 1.00 0.00 C ATOM 481 O ASP A 29 -1.650 5.110 12.899 1.00 0.00 O ATOM 482 CB ASP A 29 -2.805 7.231 15.149 1.00 0.00 C ATOM 483 CG ASP A 29 -4.020 6.465 14.661 1.00 0.00 C ATOM 484 OD1 ASP A 29 -4.355 5.399 15.241 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.698 6.955 13.721 1.00 0.00 O ATOM 0 H ASP A 29 -0.674 8.518 15.233 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.281 5.736 15.291 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.830 7.271 16.238 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.871 8.258 14.790 1.00 0.00 H new ATOM 490 N LYS A 30 -1.242 7.248 12.408 1.00 0.00 N ATOM 491 CA LYS A 30 -1.257 7.010 10.976 1.00 0.00 C ATOM 492 C LYS A 30 -0.115 6.127 10.536 1.00 0.00 C ATOM 493 O LYS A 30 -0.322 5.220 9.751 1.00 0.00 O ATOM 494 CB LYS A 30 -1.278 8.306 10.196 1.00 0.00 C ATOM 495 CG LYS A 30 -2.504 9.152 10.441 1.00 0.00 C ATOM 496 CD LYS A 30 -3.813 8.411 10.235 1.00 0.00 C ATOM 497 CE LYS A 30 -4.945 9.168 10.908 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.722 9.286 12.382 1.00 0.00 N ATOM 0 H LYS A 30 -1.034 8.208 12.681 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.181 6.476 10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.392 8.886 10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.213 8.079 9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.471 9.535 11.461 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.477 10.015 9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.017 8.305 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.741 7.405 10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.030 10.163 10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.889 8.656 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.608 9.573 12.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.414 8.368 12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.988 10.000 12.566 1.00 0.00 H new ATOM 512 N VAL A 31 1.075 6.380 11.057 1.00 0.00 N ATOM 513 CA VAL A 31 2.241 5.568 10.743 1.00 0.00 C ATOM 514 C VAL A 31 1.991 4.121 11.177 1.00 0.00 C ATOM 515 O VAL A 31 2.339 3.174 10.457 1.00 0.00 O ATOM 516 CB VAL A 31 3.517 6.119 11.430 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.755 5.334 11.027 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.690 7.590 11.119 1.00 0.00 C ATOM 0 H VAL A 31 1.260 7.147 11.704 1.00 0.00 H new ATOM 0 HA VAL A 31 2.403 5.604 9.666 1.00 0.00 H new ATOM 0 HB VAL A 31 3.393 6.001 12.506 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.629 5.750 11.529 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.634 4.290 11.315 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.891 5.399 9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.590 7.962 11.608 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.780 7.726 10.041 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.824 8.143 11.483 1.00 0.00 H new ATOM 528 N LEU A 32 1.345 3.955 12.324 1.00 0.00 N ATOM 529 CA LEU A 32 1.009 2.635 12.818 1.00 0.00 C ATOM 530 C LEU A 32 0.022 1.958 11.890 1.00 0.00 C ATOM 531 O LEU A 32 0.289 0.882 11.394 1.00 0.00 O ATOM 532 CB LEU A 32 0.426 2.691 14.229 1.00 0.00 C ATOM 533 CG LEU A 32 1.305 3.319 15.302 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.631 3.237 16.646 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.685 2.680 15.337 1.00 0.00 C ATOM 0 H LEU A 32 1.045 4.721 12.927 1.00 0.00 H new ATOM 0 HA LEU A 32 1.933 2.058 12.853 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.512 3.245 14.189 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.183 1.674 14.539 1.00 0.00 H new ATOM 0 HG LEU A 32 1.445 4.371 15.052 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.272 3.690 17.403 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.320 3.769 16.609 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.452 2.192 16.900 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.285 3.153 16.114 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.588 1.616 15.551 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.172 2.813 14.371 1.00 0.00 H new ATOM 547 N LEU A 33 -1.082 2.623 11.611 1.00 0.00 N ATOM 548 CA LEU A 33 -2.133 2.064 10.760 1.00 0.00 C ATOM 549 C LEU A 33 -1.626 1.764 9.372 1.00 0.00 C ATOM 550 O LEU A 33 -1.924 0.713 8.808 1.00 0.00 O ATOM 551 CB LEU A 33 -3.315 3.005 10.684 1.00 0.00 C ATOM 552 CG LEU A 33 -3.974 3.346 12.008 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.109 4.295 11.783 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.454 2.095 12.720 1.00 0.00 C ATOM 0 H LEU A 33 -1.282 3.560 11.961 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.451 1.125 11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.988 3.932 10.213 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.066 2.563 10.029 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.233 3.826 12.648 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.577 4.535 12.738 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.733 5.209 11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.844 3.833 11.124 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.922 2.371 13.665 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.180 1.576 12.094 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.606 1.438 12.913 1.00 0.00 H new ATOM 566 N PHE A 34 -0.839 2.669 8.848 1.00 0.00 N ATOM 567 CA PHE A 34 -0.266 2.515 7.543 1.00 0.00 C ATOM 568 C PHE A 34 0.676 1.316 7.501 1.00 0.00 C ATOM 569 O PHE A 34 0.564 0.479 6.615 1.00 0.00 O ATOM 570 CB PHE A 34 0.434 3.808 7.115 1.00 0.00 C ATOM 571 CG PHE A 34 1.124 3.722 5.799 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.397 3.730 4.625 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.502 3.617 5.737 1.00 0.00 C ATOM 574 CE1 PHE A 34 1.029 3.626 3.417 1.00 0.00 C ATOM 575 CE2 PHE A 34 3.140 3.521 4.531 1.00 0.00 C ATOM 576 CZ PHE A 34 2.404 3.524 3.370 1.00 0.00 C ATOM 0 H PHE A 34 -0.579 3.535 9.320 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.065 2.319 6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.303 4.610 7.074 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.163 4.083 7.877 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.679 3.819 4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.080 3.611 6.650 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.454 3.624 2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.216 3.443 4.491 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.905 3.446 2.416 1.00 0.00 H new ATOM 586 N SER A 35 1.563 1.203 8.482 1.00 0.00 N ATOM 587 CA SER A 35 2.488 0.087 8.513 1.00 0.00 C ATOM 588 C SER A 35 1.745 -1.232 8.743 1.00 0.00 C ATOM 589 O SER A 35 2.140 -2.265 8.221 1.00 0.00 O ATOM 590 CB SER A 35 3.613 0.311 9.543 1.00 0.00 C ATOM 591 OG SER A 35 3.102 0.585 10.835 1.00 0.00 O ATOM 0 H SER A 35 1.658 1.862 9.254 1.00 0.00 H new ATOM 0 HA SER A 35 2.970 0.021 7.537 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.248 -0.574 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.242 1.140 9.218 1.00 0.00 H new ATOM 0 HG SER A 35 2.777 1.509 10.869 1.00 0.00 H new ATOM 597 N ARG A 36 0.662 -1.177 9.504 1.00 0.00 N ATOM 598 CA ARG A 36 -0.186 -2.337 9.755 1.00 0.00 C ATOM 599 C ARG A 36 -0.826 -2.821 8.478 1.00 0.00 C ATOM 600 O ARG A 36 -0.636 -3.974 8.068 1.00 0.00 O ATOM 601 CB ARG A 36 -1.314 -1.998 10.750 1.00 0.00 C ATOM 602 CG ARG A 36 -0.882 -1.771 12.172 1.00 0.00 C ATOM 603 CD ARG A 36 -2.000 -1.125 12.996 1.00 0.00 C ATOM 604 NE ARG A 36 -1.610 -0.955 14.389 1.00 0.00 N ATOM 605 CZ ARG A 36 -2.392 -0.517 15.380 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.702 -0.304 15.183 1.00 0.00 N ATOM 607 NH2 ARG A 36 -1.861 -0.322 16.579 1.00 0.00 N ATOM 0 H ARG A 36 0.344 -0.325 9.967 1.00 0.00 H new ATOM 0 HA ARG A 36 0.456 -3.113 10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.827 -1.103 10.398 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.042 -2.809 10.736 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.597 -2.721 12.624 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.001 -1.132 12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.254 -0.155 12.568 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.896 -1.743 12.941 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.648 -1.193 14.631 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.115 -0.477 14.266 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.285 0.030 15.950 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.870 -0.506 16.734 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.444 0.012 17.347 1.00 0.00 H new ATOM 621 N ASP A 37 -1.546 -1.933 7.839 1.00 0.00 N ATOM 622 CA ASP A 37 -2.370 -2.300 6.711 1.00 0.00 C ATOM 623 C ASP A 37 -1.548 -2.597 5.481 1.00 0.00 C ATOM 624 O ASP A 37 -1.889 -3.494 4.697 1.00 0.00 O ATOM 625 CB ASP A 37 -3.421 -1.240 6.439 1.00 0.00 C ATOM 626 CG ASP A 37 -4.607 -1.816 5.698 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.376 -2.614 6.319 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.832 -1.481 4.524 1.00 0.00 O ATOM 0 H ASP A 37 -1.579 -0.943 8.082 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.886 -3.224 6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.755 -0.806 7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.982 -0.432 5.854 1.00 0.00 H new ATOM 633 N LEU A 38 -0.443 -1.886 5.328 1.00 0.00 N ATOM 634 CA LEU A 38 0.445 -2.110 4.211 1.00 0.00 C ATOM 635 C LEU A 38 1.189 -3.426 4.390 1.00 0.00 C ATOM 636 O LEU A 38 1.411 -4.152 3.422 1.00 0.00 O ATOM 637 CB LEU A 38 1.395 -0.892 4.007 1.00 0.00 C ATOM 638 CG LEU A 38 2.336 -0.903 2.781 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.802 0.477 2.487 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.555 -1.682 3.063 1.00 0.00 C ATOM 0 H LEU A 38 -0.144 -1.149 5.967 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.138 -2.197 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.779 0.005 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.012 -0.796 4.901 1.00 0.00 H new ATOM 0 HG LEU A 38 1.775 -1.333 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.465 0.461 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.943 1.113 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.341 0.871 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.202 -1.676 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.083 -1.238 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.282 -2.709 3.305 1.00 0.00 H new ATOM 652 N ASP A 39 1.540 -3.764 5.632 1.00 0.00 N ATOM 653 CA ASP A 39 2.234 -5.028 5.892 1.00 0.00 C ATOM 654 C ASP A 39 1.296 -6.181 5.577 1.00 0.00 C ATOM 655 O ASP A 39 1.690 -7.183 4.964 1.00 0.00 O ATOM 656 CB ASP A 39 2.708 -5.118 7.335 1.00 0.00 C ATOM 657 CG ASP A 39 3.599 -6.309 7.571 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.798 -6.256 7.199 1.00 0.00 O ATOM 659 OD2 ASP A 39 3.136 -7.302 8.130 1.00 0.00 O ATOM 0 H ASP A 39 1.360 -3.194 6.459 1.00 0.00 H new ATOM 0 HA ASP A 39 3.116 -5.079 5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.247 -4.207 7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.843 -5.177 7.996 1.00 0.00 H new ATOM 664 N LYS A 40 0.037 -6.009 5.970 1.00 0.00 N ATOM 665 CA LYS A 40 -1.035 -6.957 5.657 1.00 0.00 C ATOM 666 C LYS A 40 -1.172 -7.116 4.158 1.00 0.00 C ATOM 667 O LYS A 40 -1.309 -8.223 3.652 1.00 0.00 O ATOM 668 CB LYS A 40 -2.362 -6.440 6.187 1.00 0.00 C ATOM 669 CG LYS A 40 -2.562 -6.531 7.686 1.00 0.00 C ATOM 670 CD LYS A 40 -3.731 -5.647 8.129 1.00 0.00 C ATOM 671 CE LYS A 40 -5.018 -5.925 7.349 1.00 0.00 C ATOM 672 NZ LYS A 40 -6.058 -4.916 7.632 1.00 0.00 N ATOM 0 H LYS A 40 -0.273 -5.206 6.517 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.784 -7.911 6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.467 -5.397 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.165 -6.993 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.753 -7.566 7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.651 -6.223 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.916 -5.803 9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.456 -4.600 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.801 -5.934 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.393 -6.916 7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.995 -5.366 7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.897 -4.507 8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.015 -4.163 6.916 1.00 0.00 H new ATOM 686 N LEU A 41 -1.127 -5.998 3.470 1.00 0.00 N ATOM 687 CA LEU A 41 -1.272 -5.951 2.036 1.00 0.00 C ATOM 688 C LEU A 41 -0.148 -6.696 1.338 1.00 0.00 C ATOM 689 O LEU A 41 -0.395 -7.452 0.394 1.00 0.00 O ATOM 690 CB LEU A 41 -1.379 -4.498 1.571 1.00 0.00 C ATOM 691 CG LEU A 41 -1.489 -4.250 0.073 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.547 -5.125 -0.541 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.840 -2.812 -0.157 1.00 0.00 C ATOM 0 H LEU A 41 -0.987 -5.083 3.899 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.194 -6.462 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.251 -4.054 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.504 -3.961 1.938 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.533 -4.488 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.606 -4.928 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.293 -6.172 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.511 -4.909 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.921 -2.624 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.792 -2.589 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.062 -2.176 0.265 1.00 0.00 H new ATOM 705 N ILE A 42 1.067 -6.502 1.803 1.00 0.00 N ATOM 706 CA ILE A 42 2.199 -7.230 1.270 1.00 0.00 C ATOM 707 C ILE A 42 1.981 -8.713 1.483 1.00 0.00 C ATOM 708 O ILE A 42 1.981 -9.474 0.533 1.00 0.00 O ATOM 709 CB ILE A 42 3.544 -6.776 1.904 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.809 -5.310 1.575 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.704 -7.642 1.423 1.00 0.00 C ATOM 712 CD1 ILE A 42 5.100 -4.782 2.136 1.00 0.00 C ATOM 0 H ILE A 42 1.297 -5.846 2.549 1.00 0.00 H new ATOM 0 HA ILE A 42 2.270 -7.015 0.204 1.00 0.00 H new ATOM 0 HB ILE A 42 3.465 -6.892 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.818 -5.187 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.985 -4.708 1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.630 -7.299 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.523 -8.680 1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.789 -7.567 0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.216 -3.734 1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.088 -4.871 3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.934 -5.358 1.734 1.00 0.00 H new ATOM 724 N ASN A 43 1.706 -9.100 2.724 1.00 0.00 N ATOM 725 CA ASN A 43 1.465 -10.508 3.078 1.00 0.00 C ATOM 726 C ASN A 43 0.341 -11.126 2.263 1.00 0.00 C ATOM 727 O ASN A 43 0.443 -12.298 1.850 1.00 0.00 O ATOM 728 CB ASN A 43 1.191 -10.694 4.576 1.00 0.00 C ATOM 729 CG ASN A 43 2.439 -10.653 5.432 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.083 -11.674 5.647 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.784 -9.506 5.939 1.00 0.00 N ATOM 0 H ASN A 43 1.642 -8.457 3.513 1.00 0.00 H new ATOM 0 HA ASN A 43 2.389 -11.033 2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.506 -9.915 4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.687 -11.649 4.729 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.610 -9.439 6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.228 -8.674 5.742 1.00 0.00 H new ATOM 738 N LYS A 44 -0.693 -10.321 1.984 1.00 0.00 N ATOM 739 CA LYS A 44 -1.873 -10.737 1.213 1.00 0.00 C ATOM 740 C LYS A 44 -1.413 -11.258 -0.138 1.00 0.00 C ATOM 741 O LYS A 44 -1.864 -12.294 -0.617 1.00 0.00 O ATOM 742 CB LYS A 44 -2.791 -9.500 0.979 1.00 0.00 C ATOM 743 CG LYS A 44 -4.105 -9.780 0.231 1.00 0.00 C ATOM 744 CD LYS A 44 -4.766 -8.491 -0.333 1.00 0.00 C ATOM 745 CE LYS A 44 -5.119 -7.452 0.739 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.804 -6.242 0.165 1.00 0.00 N ATOM 0 H LYS A 44 -0.734 -9.349 2.292 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.417 -11.510 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.031 -9.060 1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.228 -8.753 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.910 -10.471 -0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.803 -10.275 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.091 -8.036 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.673 -8.766 -0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.766 -7.911 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.209 -7.141 1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.839 -5.490 0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.275 -5.905 -0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.772 -6.494 -0.120 1.00 0.00 H new ATOM 760 N PHE A 45 -0.497 -10.539 -0.721 1.00 0.00 N ATOM 761 CA PHE A 45 0.035 -10.882 -2.002 1.00 0.00 C ATOM 762 C PHE A 45 1.179 -11.861 -1.945 1.00 0.00 C ATOM 763 O PHE A 45 1.377 -12.619 -2.891 1.00 0.00 O ATOM 764 CB PHE A 45 0.377 -9.643 -2.809 1.00 0.00 C ATOM 765 CG PHE A 45 -0.817 -8.977 -3.418 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.586 -8.079 -2.701 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.169 -9.264 -4.714 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.689 -7.481 -3.279 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.268 -8.672 -5.300 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.031 -7.779 -4.580 1.00 0.00 C ATOM 0 H PHE A 45 -0.098 -9.693 -0.315 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.761 -11.411 -2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.891 -8.930 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.074 -9.916 -3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.322 -7.843 -1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.576 -9.964 -5.283 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.283 -6.780 -2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.530 -8.908 -6.321 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.894 -7.314 -5.034 1.00 0.00 H new ATOM 780 N MET A 46 1.920 -11.857 -0.856 1.00 0.00 N ATOM 781 CA MET A 46 3.055 -12.747 -0.707 1.00 0.00 C ATOM 782 C MET A 46 2.615 -14.174 -0.796 1.00 0.00 C ATOM 783 O MET A 46 3.104 -14.907 -1.665 1.00 0.00 O ATOM 784 CB MET A 46 3.795 -12.526 0.609 1.00 0.00 C ATOM 785 CG MET A 46 4.413 -11.159 0.752 1.00 0.00 C ATOM 786 SD MET A 46 5.355 -10.976 2.267 1.00 0.00 S ATOM 787 CE MET A 46 6.725 -12.036 1.881 1.00 0.00 C ATOM 0 H MET A 46 1.756 -11.244 -0.057 1.00 0.00 H new ATOM 0 HA MET A 46 3.743 -12.520 -1.521 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.101 -12.686 1.434 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.579 -13.278 0.702 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.065 -10.969 -0.101 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.626 -10.405 0.726 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.183 -12.390 2.805 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.373 -12.889 1.301 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.462 -11.481 1.300 1.00 0.00 H new ATOM 797 N ASN A 47 1.635 -14.547 0.062 1.00 0.00 N ATOM 798 CA ASN A 47 1.132 -15.940 0.131 1.00 0.00 C ATOM 799 C ASN A 47 0.232 -16.187 1.349 1.00 0.00 C ATOM 800 O ASN A 47 -0.040 -17.336 1.715 1.00 0.00 O ATOM 801 CB ASN A 47 2.290 -16.937 0.160 1.00 0.00 C ATOM 802 CG ASN A 47 1.890 -18.360 -0.238 1.00 0.00 C ATOM 803 OD1 ASN A 47 0.952 -18.564 -1.012 1.00 0.00 O ATOM 804 ND2 ASN A 47 2.604 -19.344 0.264 1.00 0.00 N ATOM 0 H ASN A 47 1.180 -13.907 0.712 1.00 0.00 H new ATOM 0 HA ASN A 47 0.533 -16.088 -0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.074 -16.589 -0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.716 -16.956 1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.388 -20.309 0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.374 -19.142 0.902 1.00 0.00 H new ATOM 811 N VAL A 48 -0.251 -15.159 1.977 1.00 0.00 N ATOM 812 CA VAL A 48 -1.119 -15.411 3.091 1.00 0.00 C ATOM 813 C VAL A 48 -2.547 -15.388 2.635 1.00 0.00 C ATOM 814 O VAL A 48 -3.025 -14.410 2.044 1.00 0.00 O ATOM 815 CB VAL A 48 -0.896 -14.518 4.357 1.00 0.00 C ATOM 816 CG1 VAL A 48 0.557 -14.500 4.788 1.00 0.00 C ATOM 817 CG2 VAL A 48 -1.473 -13.114 4.240 1.00 0.00 C ATOM 0 H VAL A 48 -0.072 -14.180 1.754 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.851 -16.406 3.446 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.472 -14.997 5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.667 -13.869 5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.879 -15.514 5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.172 -14.104 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.275 -12.562 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.008 -12.598 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.549 -13.175 4.078 1.00 0.00 H new ATOM 827 N LYS A 49 -3.204 -16.479 2.827 1.00 0.00 N ATOM 828 CA LYS A 49 -4.562 -16.588 2.454 1.00 0.00 C ATOM 829 C LYS A 49 -5.378 -16.738 3.700 1.00 0.00 C ATOM 830 O LYS A 49 -5.567 -17.842 4.240 1.00 0.00 O ATOM 831 CB LYS A 49 -4.787 -17.722 1.453 1.00 0.00 C ATOM 832 CG LYS A 49 -3.972 -17.560 0.174 1.00 0.00 C ATOM 833 CD LYS A 49 -4.252 -18.662 -0.825 1.00 0.00 C ATOM 834 CE LYS A 49 -3.389 -18.503 -2.065 1.00 0.00 C ATOM 835 NZ LYS A 49 -3.659 -19.545 -3.073 1.00 0.00 N ATOM 0 H LYS A 49 -2.809 -17.320 3.248 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.880 -15.685 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.529 -18.671 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.846 -17.770 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.198 -16.595 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.910 -17.556 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.060 -19.632 -0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.305 -18.645 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.566 -17.521 -2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.338 -18.540 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.047 -19.395 -3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.465 -20.482 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.656 -19.494 -3.366 1.00 0.00 H new ATOM 849 N ASP A 50 -5.779 -15.623 4.204 1.00 0.00 N ATOM 850 CA ASP A 50 -6.512 -15.532 5.430 1.00 0.00 C ATOM 851 C ASP A 50 -7.816 -14.883 5.132 1.00 0.00 C ATOM 852 O ASP A 50 -7.880 -13.979 4.309 1.00 0.00 O ATOM 853 CB ASP A 50 -5.751 -14.677 6.460 1.00 0.00 C ATOM 854 CG ASP A 50 -4.445 -15.277 6.934 1.00 0.00 C ATOM 855 OD1 ASP A 50 -3.434 -15.199 6.221 1.00 0.00 O ATOM 856 OD2 ASP A 50 -4.391 -15.792 8.067 1.00 0.00 O ATOM 0 H ASP A 50 -5.603 -14.719 3.765 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.651 -16.529 5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.549 -13.699 6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.395 -14.513 7.324 1.00 0.00 H new ATOM 861 N LYS A 51 -8.853 -15.302 5.781 1.00 0.00 N ATOM 862 CA LYS A 51 -10.143 -14.711 5.546 1.00 0.00 C ATOM 863 C LYS A 51 -10.455 -13.700 6.630 1.00 0.00 C ATOM 864 O LYS A 51 -11.599 -13.363 6.896 1.00 0.00 O ATOM 865 CB LYS A 51 -11.234 -15.771 5.392 1.00 0.00 C ATOM 866 CG LYS A 51 -11.502 -16.646 6.599 1.00 0.00 C ATOM 867 CD LYS A 51 -12.614 -17.675 6.325 1.00 0.00 C ATOM 868 CE LYS A 51 -14.045 -17.075 6.232 1.00 0.00 C ATOM 869 NZ LYS A 51 -14.240 -16.088 5.134 1.00 0.00 N ATOM 0 H LYS A 51 -8.840 -16.048 6.477 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.115 -14.178 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.163 -15.268 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.967 -16.417 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.587 -17.167 6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.786 -16.021 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.390 -18.192 5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.600 -18.425 7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.757 -17.890 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.284 -16.594 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.228 -16.120 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.021 -15.133 5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.608 -16.321 4.342 1.00 0.00 H new ATOM 883 N VAL A 52 -9.390 -13.157 7.200 1.00 0.00 N ATOM 884 CA VAL A 52 -9.484 -12.118 8.212 1.00 0.00 C ATOM 885 C VAL A 52 -9.826 -10.778 7.563 1.00 0.00 C ATOM 886 O VAL A 52 -10.003 -9.776 8.241 1.00 0.00 O ATOM 887 CB VAL A 52 -8.168 -11.979 9.039 1.00 0.00 C ATOM 888 CG1 VAL A 52 -7.832 -13.285 9.744 1.00 0.00 C ATOM 889 CG2 VAL A 52 -6.998 -11.526 8.165 1.00 0.00 C ATOM 0 H VAL A 52 -8.433 -13.426 6.972 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.279 -12.410 8.899 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.337 -11.210 9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.911 -13.164 10.314 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.644 -13.553 10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.700 -14.074 9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.099 -11.440 8.776 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.831 -12.257 7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.229 -10.557 7.722 1.00 0.00 H new ATOM 899 N HIS A 53 -9.900 -10.777 6.250 1.00 0.00 N ATOM 900 CA HIS A 53 -10.270 -9.606 5.505 1.00 0.00 C ATOM 901 C HIS A 53 -11.790 -9.526 5.488 1.00 0.00 C ATOM 902 O HIS A 53 -12.474 -10.562 5.426 1.00 0.00 O ATOM 903 CB HIS A 53 -9.698 -9.645 4.070 1.00 0.00 C ATOM 904 CG HIS A 53 -8.190 -9.732 3.993 1.00 0.00 C ATOM 905 ND1 HIS A 53 -7.373 -10.813 4.055 1.00 0.00 N flip ATOM 906 CD2 HIS A 53 -7.354 -8.644 3.828 1.00 0.00 C flip ATOM 907 CE1 HIS A 53 -6.048 -10.398 3.933 1.00 0.00 C flip ATOM 908 NE2 HIS A 53 -6.095 -9.087 3.799 1.00 0.00 N flip ATOM 0 H HIS A 53 -9.703 -11.594 5.672 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.852 -8.718 5.980 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.125 -10.500 3.546 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.024 -8.751 3.539 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -7.680 -11.779 4.173 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.665 -7.614 3.738 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.166 -11.021 3.946 1.00 0.00 H new ATOM 916 N LYS A 54 -12.313 -8.336 5.582 1.00 0.00 N ATOM 917 CA LYS A 54 -13.741 -8.136 5.684 1.00 0.00 C ATOM 918 C LYS A 54 -14.414 -8.175 4.317 1.00 0.00 C ATOM 919 O LYS A 54 -13.993 -7.490 3.382 1.00 0.00 O ATOM 920 CB LYS A 54 -14.026 -6.793 6.378 1.00 0.00 C ATOM 921 CG LYS A 54 -15.505 -6.474 6.619 1.00 0.00 C ATOM 922 CD LYS A 54 -16.152 -7.460 7.581 1.00 0.00 C ATOM 923 CE LYS A 54 -17.591 -7.067 7.883 1.00 0.00 C ATOM 924 NZ LYS A 54 -18.241 -7.996 8.835 1.00 0.00 N ATOM 0 H LYS A 54 -11.767 -7.475 5.591 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.156 -8.951 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -13.510 -6.784 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.594 -5.994 5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.598 -5.464 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.039 -6.491 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.128 -8.461 7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.580 -7.497 8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.611 -6.058 8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -18.161 -7.045 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.219 -7.687 9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.248 -8.956 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.714 -7.999 9.732 1.00 0.00 H new ATOM 938 N LEU A 55 -15.422 -8.999 4.208 1.00 0.00 N ATOM 939 CA LEU A 55 -16.262 -9.049 3.038 1.00 0.00 C ATOM 940 C LEU A 55 -17.599 -8.466 3.423 1.00 0.00 C ATOM 941 O LEU A 55 -17.939 -8.434 4.611 1.00 0.00 O ATOM 942 CB LEU A 55 -16.441 -10.491 2.539 1.00 0.00 C ATOM 943 CG LEU A 55 -15.188 -11.196 2.011 1.00 0.00 C ATOM 944 CD1 LEU A 55 -15.509 -12.633 1.640 1.00 0.00 C ATOM 945 CD2 LEU A 55 -14.633 -10.456 0.800 1.00 0.00 C ATOM 0 H LEU A 55 -15.687 -9.662 4.936 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.803 -8.484 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.847 -11.086 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.189 -10.486 1.746 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.434 -11.195 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.609 -13.122 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.871 -13.164 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.277 -12.646 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.743 -10.969 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.386 -10.432 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.373 -9.436 1.084 1.00 0.00 H new ATOM 957 N GLU A 56 -18.348 -7.996 2.467 1.00 0.00 N ATOM 958 CA GLU A 56 -19.633 -7.402 2.766 1.00 0.00 C ATOM 959 C GLU A 56 -20.690 -8.518 2.857 1.00 0.00 C ATOM 960 O GLU A 56 -20.473 -9.633 2.367 1.00 0.00 O ATOM 961 CB GLU A 56 -20.002 -6.394 1.670 1.00 0.00 C ATOM 962 CG GLU A 56 -20.674 -5.103 2.162 1.00 0.00 C ATOM 963 CD GLU A 56 -21.955 -5.327 2.920 1.00 0.00 C ATOM 964 OE1 GLU A 56 -21.901 -5.532 4.144 1.00 0.00 O ATOM 965 OE2 GLU A 56 -23.031 -5.339 2.303 1.00 0.00 O ATOM 0 H GLU A 56 -18.099 -8.009 1.478 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.590 -6.874 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.096 -6.127 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -20.669 -6.883 0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.975 -4.564 2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.879 -4.463 1.304 1.00 0.00 H new ATOM 972 N HIS A 57 -21.796 -8.210 3.492 1.00 0.00 N ATOM 973 CA HIS A 57 -22.919 -9.122 3.672 1.00 0.00 C ATOM 974 C HIS A 57 -23.593 -9.376 2.332 1.00 0.00 C ATOM 975 O HIS A 57 -23.887 -10.514 1.968 1.00 0.00 O ATOM 976 CB HIS A 57 -23.960 -8.500 4.623 1.00 0.00 C ATOM 977 CG HIS A 57 -23.443 -8.126 5.979 1.00 0.00 C ATOM 978 ND1 HIS A 57 -22.863 -6.910 6.266 1.00 0.00 N ATOM 979 CD2 HIS A 57 -23.444 -8.822 7.136 1.00 0.00 C ATOM 980 CE1 HIS A 57 -22.538 -6.900 7.557 1.00 0.00 C ATOM 981 NE2 HIS A 57 -22.870 -8.048 8.141 1.00 0.00 N ATOM 0 H HIS A 57 -21.952 -7.294 3.913 1.00 0.00 H new ATOM 0 HA HIS A 57 -22.542 -10.055 4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -24.373 -7.609 4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -24.782 -9.205 4.747 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -22.709 -6.149 5.604 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -23.830 -9.823 7.262 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -22.067 -6.070 8.063 1.00 0.00 H new ATOM 989 N HIS A 58 -23.822 -8.311 1.596 1.00 0.00 N ATOM 990 CA HIS A 58 -24.501 -8.402 0.317 1.00 0.00 C ATOM 991 C HIS A 58 -23.862 -7.434 -0.674 1.00 0.00 C ATOM 992 O HIS A 58 -23.460 -7.829 -1.769 1.00 0.00 O ATOM 993 CB HIS A 58 -26.003 -8.093 0.508 1.00 0.00 C ATOM 994 CG HIS A 58 -26.848 -8.230 -0.723 1.00 0.00 C ATOM 995 ND1 HIS A 58 -27.683 -9.291 -0.961 1.00 0.00 N ATOM 996 CD2 HIS A 58 -27.004 -7.388 -1.768 1.00 0.00 C ATOM 997 CE1 HIS A 58 -28.310 -9.071 -2.117 1.00 0.00 C ATOM 998 NE2 HIS A 58 -27.932 -7.917 -2.653 1.00 0.00 N ATOM 0 H HIS A 58 -23.547 -7.365 1.861 1.00 0.00 H new ATOM 0 HA HIS A 58 -24.405 -9.411 -0.083 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -26.399 -8.758 1.276 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -26.102 -7.075 0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -26.486 -6.449 -1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -29.031 -9.743 -2.559 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -28.255 -7.507 -3.529 1.00 0.00 H new ATOM 1006 N HIS A 59 -23.770 -6.175 -0.260 1.00 0.00 N ATOM 1007 CA HIS A 59 -23.165 -5.071 -1.027 1.00 0.00 C ATOM 1008 C HIS A 59 -23.988 -4.674 -2.275 1.00 0.00 C ATOM 1009 O HIS A 59 -24.629 -5.512 -2.938 1.00 0.00 O ATOM 1010 CB HIS A 59 -21.682 -5.368 -1.376 1.00 0.00 C ATOM 1011 CG HIS A 59 -20.911 -4.198 -1.916 1.00 0.00 C ATOM 1012 ND1 HIS A 59 -20.437 -3.160 -1.135 1.00 0.00 N ATOM 1013 CD2 HIS A 59 -20.532 -3.910 -3.177 1.00 0.00 C ATOM 1014 CE1 HIS A 59 -19.804 -2.299 -1.927 1.00 0.00 C ATOM 1015 NE2 HIS A 59 -19.831 -2.705 -3.180 1.00 0.00 N ATOM 0 H HIS A 59 -24.124 -5.876 0.649 1.00 0.00 H new ATOM 0 HA HIS A 59 -23.182 -4.198 -0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.180 -5.733 -0.480 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -21.651 -6.174 -2.109 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -20.739 -4.516 -4.047 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -19.331 -1.389 -1.588 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -19.423 -2.234 -3.987 1.00 0.00 H new ATOM 1023 N HIS A 60 -23.977 -3.396 -2.573 1.00 0.00 N ATOM 1024 CA HIS A 60 -24.689 -2.864 -3.718 1.00 0.00 C ATOM 1025 C HIS A 60 -23.960 -3.168 -4.998 1.00 0.00 C ATOM 1026 O HIS A 60 -22.860 -2.670 -5.231 1.00 0.00 O ATOM 1027 CB HIS A 60 -24.898 -1.349 -3.604 1.00 0.00 C ATOM 1028 CG HIS A 60 -25.861 -0.942 -2.547 1.00 0.00 C ATOM 1029 ND1 HIS A 60 -27.217 -0.864 -2.751 1.00 0.00 N ATOM 1030 CD2 HIS A 60 -25.648 -0.576 -1.264 1.00 0.00 C ATOM 1031 CE1 HIS A 60 -27.781 -0.464 -1.621 1.00 0.00 C ATOM 1032 NE2 HIS A 60 -26.868 -0.270 -0.672 1.00 0.00 N ATOM 0 H HIS A 60 -23.475 -2.693 -2.030 1.00 0.00 H new ATOM 0 HA HIS A 60 -25.664 -3.350 -3.733 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -23.937 -0.875 -3.405 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -25.248 -0.969 -4.564 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -27.705 -1.077 -3.621 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -24.685 -0.529 -0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -28.842 -0.315 -1.487 1.00 0.00 H new ATOM 1040 N HIS A 61 -24.545 -3.994 -5.808 1.00 0.00 N ATOM 1041 CA HIS A 61 -23.975 -4.295 -7.085 1.00 0.00 C ATOM 1042 C HIS A 61 -24.503 -3.270 -8.064 1.00 0.00 C ATOM 1043 O HIS A 61 -25.696 -2.926 -8.026 1.00 0.00 O ATOM 1044 CB HIS A 61 -24.341 -5.720 -7.522 1.00 0.00 C ATOM 1045 CG HIS A 61 -23.591 -6.202 -8.727 1.00 0.00 C ATOM 1046 ND1 HIS A 61 -22.259 -6.547 -8.707 1.00 0.00 N ATOM 1047 CD2 HIS A 61 -24.006 -6.394 -10.002 1.00 0.00 C ATOM 1048 CE1 HIS A 61 -21.909 -6.926 -9.931 1.00 0.00 C ATOM 1049 NE2 HIS A 61 -22.935 -6.857 -10.764 1.00 0.00 N ATOM 0 H HIS A 61 -25.422 -4.475 -5.607 1.00 0.00 H new ATOM 0 HA HIS A 61 -22.887 -4.250 -7.042 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -24.153 -6.402 -6.693 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -25.410 -5.761 -7.732 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -25.006 -6.217 -10.369 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -20.917 -7.248 -10.210 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -22.941 -7.093 -11.756 1.00 0.00 H new ATOM 1057 N HIS A 62 -23.652 -2.763 -8.897 1.00 0.00 N ATOM 1058 CA HIS A 62 -24.038 -1.742 -9.814 1.00 0.00 C ATOM 1059 C HIS A 62 -24.577 -2.393 -11.080 1.00 0.00 C ATOM 1060 O HIS A 62 -25.789 -2.670 -11.133 1.00 0.00 O ATOM 1061 CB HIS A 62 -22.851 -0.814 -10.111 1.00 0.00 C ATOM 1062 CG HIS A 62 -23.234 0.460 -10.790 1.00 0.00 C ATOM 1063 ND1 HIS A 62 -23.084 0.695 -12.132 1.00 0.00 N ATOM 1064 CD2 HIS A 62 -23.766 1.589 -10.271 1.00 0.00 C ATOM 1065 CE1 HIS A 62 -23.516 1.922 -12.393 1.00 0.00 C ATOM 1066 NE2 HIS A 62 -23.948 2.519 -11.290 1.00 0.00 N ATOM 1067 OXT HIS A 62 -23.808 -2.667 -12.013 1.00 0.00 O ATOM 0 H HIS A 62 -22.674 -3.044 -8.960 1.00 0.00 H new ATOM 0 HA HIS A 62 -24.825 -1.126 -9.378 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -22.344 -0.578 -9.175 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -22.134 -1.346 -10.736 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -24.011 1.745 -9.231 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -23.516 2.375 -13.374 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -24.332 3.460 -11.206 1.00 0.00 H new TER 1075 HIS A 62 ATOM 1076 N MET B 1 13.316 21.056 -0.283 1.00 0.00 N ATOM 1077 CA MET B 1 12.123 21.686 0.318 1.00 0.00 C ATOM 1078 C MET B 1 10.848 21.215 -0.370 1.00 0.00 C ATOM 1079 O MET B 1 9.779 21.187 0.235 1.00 0.00 O ATOM 1080 CB MET B 1 12.195 23.227 0.247 1.00 0.00 C ATOM 1081 CG MET B 1 13.341 23.863 1.031 1.00 0.00 C ATOM 1082 SD MET B 1 14.979 23.490 0.362 1.00 0.00 S ATOM 1083 CE MET B 1 14.919 24.355 -1.212 1.00 0.00 C ATOM 0 H1 MET B 1 14.174 21.457 0.147 1.00 0.00 H new ATOM 0 H2 MET B 1 13.290 20.030 -0.112 1.00 0.00 H new ATOM 0 H3 MET B 1 13.325 21.236 -1.307 1.00 0.00 H new ATOM 0 HA MET B 1 12.103 21.383 1.365 1.00 0.00 H new ATOM 0 HB2 MET B 1 12.284 23.522 -0.798 1.00 0.00 H new ATOM 0 HB3 MET B 1 11.254 23.636 0.615 1.00 0.00 H new ATOM 0 HG2 MET B 1 13.203 24.944 1.046 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.295 23.521 2.065 1.00 0.00 H new ATOM 0 HE1 MET B 1 15.929 24.461 -1.608 1.00 0.00 H new ATOM 0 HE2 MET B 1 14.311 23.787 -1.916 1.00 0.00 H new ATOM 0 HE3 MET B 1 14.480 25.342 -1.068 1.00 0.00 H new ATOM 1095 N GLU B 2 10.973 20.865 -1.630 1.00 0.00 N ATOM 1096 CA GLU B 2 9.872 20.449 -2.479 1.00 0.00 C ATOM 1097 C GLU B 2 9.163 19.227 -1.914 1.00 0.00 C ATOM 1098 O GLU B 2 9.777 18.159 -1.745 1.00 0.00 O ATOM 1099 CB GLU B 2 10.366 20.097 -3.901 1.00 0.00 C ATOM 1100 CG GLU B 2 11.386 21.052 -4.521 1.00 0.00 C ATOM 1101 CD GLU B 2 12.796 20.824 -3.999 1.00 0.00 C ATOM 1102 OE1 GLU B 2 13.176 21.428 -2.962 1.00 0.00 O ATOM 1103 OE2 GLU B 2 13.533 20.028 -4.600 1.00 0.00 O ATOM 0 H GLU B 2 11.872 20.861 -2.111 1.00 0.00 H new ATOM 0 HA GLU B 2 9.180 21.290 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU B 2 10.804 19.099 -3.873 1.00 0.00 H new ATOM 0 HB3 GLU B 2 9.500 20.046 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU B 2 11.380 20.930 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU B 2 11.088 22.080 -4.314 1.00 0.00 H new ATOM 1110 N MET B 3 7.880 19.360 -1.652 1.00 0.00 N ATOM 1111 CA MET B 3 7.097 18.238 -1.177 1.00 0.00 C ATOM 1112 C MET B 3 6.789 17.309 -2.334 1.00 0.00 C ATOM 1113 O MET B 3 6.538 16.124 -2.151 1.00 0.00 O ATOM 1114 CB MET B 3 5.809 18.663 -0.463 1.00 0.00 C ATOM 1115 CG MET B 3 4.806 19.404 -1.313 1.00 0.00 C ATOM 1116 SD MET B 3 5.313 21.088 -1.754 1.00 0.00 S ATOM 1117 CE MET B 3 5.276 21.887 -0.143 1.00 0.00 C ATOM 0 H MET B 3 7.358 20.230 -1.759 1.00 0.00 H new ATOM 0 HA MET B 3 7.696 17.715 -0.432 1.00 0.00 H new ATOM 0 HB2 MET B 3 5.328 17.772 -0.059 1.00 0.00 H new ATOM 0 HB3 MET B 3 6.076 19.294 0.385 1.00 0.00 H new ATOM 0 HG2 MET B 3 4.631 18.837 -2.227 1.00 0.00 H new ATOM 0 HG3 MET B 3 3.856 19.449 -0.780 1.00 0.00 H new ATOM 0 HE1 MET B 3 5.229 22.968 -0.274 1.00 0.00 H new ATOM 0 HE2 MET B 3 4.399 21.550 0.410 1.00 0.00 H new ATOM 0 HE3 MET B 3 6.177 21.628 0.412 1.00 0.00 H new ATOM 1127 N GLY B 4 6.857 17.866 -3.540 1.00 0.00 N ATOM 1128 CA GLY B 4 6.651 17.100 -4.743 1.00 0.00 C ATOM 1129 C GLY B 4 7.741 16.075 -4.919 1.00 0.00 C ATOM 1130 O GLY B 4 7.479 14.951 -5.322 1.00 0.00 O ATOM 0 H GLY B 4 7.055 18.854 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY B 4 5.682 16.603 -4.701 1.00 0.00 H new ATOM 0 HA3 GLY B 4 6.630 17.767 -5.605 1.00 0.00 H new ATOM 1134 N GLN B 5 8.969 16.455 -4.571 1.00 0.00 N ATOM 1135 CA GLN B 5 10.096 15.538 -4.645 1.00 0.00 C ATOM 1136 C GLN B 5 9.976 14.473 -3.583 1.00 0.00 C ATOM 1137 O GLN B 5 10.319 13.325 -3.813 1.00 0.00 O ATOM 1138 CB GLN B 5 11.436 16.258 -4.525 1.00 0.00 C ATOM 1139 CG GLN B 5 11.785 17.126 -5.721 1.00 0.00 C ATOM 1140 CD GLN B 5 11.855 16.337 -7.011 1.00 0.00 C ATOM 1141 OE1 GLN B 5 10.861 16.207 -7.721 1.00 0.00 O ATOM 1142 NE2 GLN B 5 12.996 15.786 -7.312 1.00 0.00 N ATOM 0 H GLN B 5 9.205 17.389 -4.236 1.00 0.00 H new ATOM 0 HA GLN B 5 10.068 15.070 -5.629 1.00 0.00 H new ATOM 0 HB2 GLN B 5 11.423 16.880 -3.630 1.00 0.00 H new ATOM 0 HB3 GLN B 5 12.223 15.517 -4.386 1.00 0.00 H new ATOM 0 HG2 GLN B 5 11.040 17.916 -5.822 1.00 0.00 H new ATOM 0 HG3 GLN B 5 12.744 17.613 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN B 5 13.802 15.914 -6.700 1.00 0.00 H new ATOM 0 HE22 GLN B 5 13.084 15.226 -8.160 1.00 0.00 H new ATOM 1151 N LEU B 6 9.461 14.863 -2.432 1.00 0.00 N ATOM 1152 CA LEU B 6 9.213 13.942 -1.335 1.00 0.00 C ATOM 1153 C LEU B 6 8.203 12.887 -1.791 1.00 0.00 C ATOM 1154 O LEU B 6 8.431 11.688 -1.642 1.00 0.00 O ATOM 1155 CB LEU B 6 8.728 14.748 -0.084 1.00 0.00 C ATOM 1156 CG LEU B 6 8.332 13.991 1.218 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.947 13.358 1.124 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.379 12.945 1.587 1.00 0.00 C ATOM 0 H LEU B 6 9.202 15.829 -2.230 1.00 0.00 H new ATOM 0 HA LEU B 6 10.124 13.419 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.519 15.451 0.176 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.865 15.339 -0.392 1.00 0.00 H new ATOM 0 HG LEU B 6 8.292 14.736 2.013 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.718 12.842 2.057 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.203 14.135 0.947 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.928 12.644 0.301 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.075 12.433 2.500 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.471 12.221 0.778 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.340 13.433 1.747 1.00 0.00 H new ATOM 1170 N LYS B 7 7.122 13.352 -2.389 1.00 0.00 N ATOM 1171 CA LYS B 7 6.071 12.499 -2.881 1.00 0.00 C ATOM 1172 C LYS B 7 6.612 11.601 -4.009 1.00 0.00 C ATOM 1173 O LYS B 7 6.247 10.428 -4.122 1.00 0.00 O ATOM 1174 CB LYS B 7 4.912 13.390 -3.353 1.00 0.00 C ATOM 1175 CG LYS B 7 3.541 12.741 -3.279 1.00 0.00 C ATOM 1176 CD LYS B 7 3.216 11.782 -4.430 1.00 0.00 C ATOM 1177 CE LYS B 7 3.088 12.533 -5.749 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.589 11.680 -6.839 1.00 0.00 N ATOM 0 H LYS B 7 6.953 14.346 -2.546 1.00 0.00 H new ATOM 0 HA LYS B 7 5.704 11.837 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.902 14.298 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.101 13.692 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.464 12.195 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.785 13.526 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.999 11.028 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.286 11.254 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.414 13.379 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS B 7 4.060 12.940 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.917 12.219 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 3.387 11.369 -7.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.110 10.849 -6.438 1.00 0.00 H new ATOM 1192 N ASN B 8 7.511 12.158 -4.803 1.00 0.00 N ATOM 1193 CA ASN B 8 8.154 11.438 -5.893 1.00 0.00 C ATOM 1194 C ASN B 8 9.030 10.307 -5.331 1.00 0.00 C ATOM 1195 O ASN B 8 9.058 9.202 -5.880 1.00 0.00 O ATOM 1196 CB ASN B 8 9.005 12.402 -6.735 1.00 0.00 C ATOM 1197 CG ASN B 8 9.558 11.776 -8.002 1.00 0.00 C ATOM 1198 OD1 ASN B 8 8.928 10.905 -8.617 1.00 0.00 O ATOM 1199 ND2 ASN B 8 10.727 12.208 -8.404 1.00 0.00 N ATOM 0 H ASN B 8 7.818 13.126 -4.711 1.00 0.00 H new ATOM 0 HA ASN B 8 7.385 11.003 -6.532 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.400 13.269 -7.002 1.00 0.00 H new ATOM 0 HB3 ASN B 8 9.834 12.766 -6.128 1.00 0.00 H new ATOM 0 HD21 ASN B 8 11.149 11.826 -9.250 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.216 12.927 -7.871 1.00 0.00 H new ATOM 1206 N LYS B 9 9.723 10.589 -4.216 1.00 0.00 N ATOM 1207 CA LYS B 9 10.551 9.589 -3.524 1.00 0.00 C ATOM 1208 C LYS B 9 9.673 8.502 -2.932 1.00 0.00 C ATOM 1209 O LYS B 9 10.053 7.337 -2.920 1.00 0.00 O ATOM 1210 CB LYS B 9 11.378 10.208 -2.395 1.00 0.00 C ATOM 1211 CG LYS B 9 12.416 11.214 -2.825 1.00 0.00 C ATOM 1212 CD LYS B 9 13.165 11.749 -1.621 1.00 0.00 C ATOM 1213 CE LYS B 9 14.203 12.776 -2.018 1.00 0.00 C ATOM 1214 NZ LYS B 9 14.965 13.271 -0.850 1.00 0.00 N ATOM 0 H LYS B 9 9.726 11.508 -3.773 1.00 0.00 H new ATOM 0 HA LYS B 9 11.231 9.173 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.698 10.691 -1.693 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.878 9.406 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.116 10.749 -3.519 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.937 12.036 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.458 12.197 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.650 10.925 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.891 12.336 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.713 13.614 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.666 13.972 -1.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.312 13.714 -0.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.453 12.475 -0.392 1.00 0.00 H new ATOM 1228 N ILE B 10 8.508 8.897 -2.422 1.00 0.00 N ATOM 1229 CA ILE B 10 7.530 7.947 -1.898 1.00 0.00 C ATOM 1230 C ILE B 10 7.165 6.959 -2.985 1.00 0.00 C ATOM 1231 O ILE B 10 7.234 5.748 -2.784 1.00 0.00 O ATOM 1232 CB ILE B 10 6.250 8.660 -1.361 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.599 9.490 -0.127 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.134 7.657 -1.045 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.440 10.244 0.472 1.00 0.00 C ATOM 0 H ILE B 10 8.218 9.873 -2.361 1.00 0.00 H new ATOM 0 HA ILE B 10 7.981 7.424 -1.055 1.00 0.00 H new ATOM 0 HB ILE B 10 5.876 9.322 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.017 8.829 0.633 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.380 10.202 -0.394 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.259 8.191 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.869 7.111 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.480 6.955 -0.286 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.781 10.804 1.342 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.034 10.934 -0.267 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.665 9.540 0.775 1.00 0.00 H new ATOM 1247 N GLU B 11 6.840 7.480 -4.151 1.00 0.00 N ATOM 1248 CA GLU B 11 6.520 6.651 -5.285 1.00 0.00 C ATOM 1249 C GLU B 11 7.708 5.777 -5.652 1.00 0.00 C ATOM 1250 O GLU B 11 7.554 4.586 -5.854 1.00 0.00 O ATOM 1251 CB GLU B 11 6.075 7.495 -6.472 1.00 0.00 C ATOM 1252 CG GLU B 11 4.870 8.367 -6.177 1.00 0.00 C ATOM 1253 CD GLU B 11 4.352 9.056 -7.392 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.560 8.448 -8.134 1.00 0.00 O ATOM 1255 OE2 GLU B 11 4.677 10.224 -7.608 1.00 0.00 O ATOM 0 H GLU B 11 6.792 8.482 -4.334 1.00 0.00 H new ATOM 0 HA GLU B 11 5.688 6.002 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU B 11 6.904 8.129 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU B 11 5.841 6.836 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU B 11 4.079 7.754 -5.746 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.139 9.112 -5.428 1.00 0.00 H new ATOM 1262 N ASN B 12 8.880 6.380 -5.653 1.00 0.00 N ATOM 1263 CA ASN B 12 10.154 5.719 -5.975 1.00 0.00 C ATOM 1264 C ASN B 12 10.389 4.504 -5.080 1.00 0.00 C ATOM 1265 O ASN B 12 10.557 3.375 -5.560 1.00 0.00 O ATOM 1266 CB ASN B 12 11.304 6.728 -5.782 1.00 0.00 C ATOM 1267 CG ASN B 12 12.690 6.181 -6.088 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.349 5.595 -5.227 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.163 6.442 -7.269 1.00 0.00 N ATOM 0 H ASN B 12 8.988 7.368 -5.426 1.00 0.00 H new ATOM 0 HA ASN B 12 10.117 5.376 -7.009 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.121 7.593 -6.420 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.288 7.083 -4.752 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.113 6.160 -7.512 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.585 6.929 -7.954 1.00 0.00 H new ATOM 1276 N LYS B 13 10.344 4.751 -3.794 1.00 0.00 N ATOM 1277 CA LYS B 13 10.619 3.766 -2.776 1.00 0.00 C ATOM 1278 C LYS B 13 9.580 2.651 -2.787 1.00 0.00 C ATOM 1279 O LYS B 13 9.919 1.464 -2.703 1.00 0.00 O ATOM 1280 CB LYS B 13 10.658 4.467 -1.423 1.00 0.00 C ATOM 1281 CG LYS B 13 11.107 3.600 -0.279 1.00 0.00 C ATOM 1282 CD LYS B 13 12.477 3.029 -0.522 1.00 0.00 C ATOM 1283 CE LYS B 13 13.542 4.089 -0.698 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.854 3.474 -0.930 1.00 0.00 N ATOM 0 H LYS B 13 10.108 5.668 -3.416 1.00 0.00 H new ATOM 0 HA LYS B 13 11.583 3.298 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.325 5.326 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.663 4.853 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.114 4.185 0.641 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.394 2.788 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.749 2.385 0.315 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.449 2.400 -1.412 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.284 4.735 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.583 4.721 0.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.595 4.201 -0.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.024 2.739 -0.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.874 3.046 -1.878 1.00 0.00 H new ATOM 1298 N LYS B 14 8.331 3.044 -2.886 1.00 0.00 N ATOM 1299 CA LYS B 14 7.223 2.138 -3.001 1.00 0.00 C ATOM 1300 C LYS B 14 7.413 1.243 -4.233 1.00 0.00 C ATOM 1301 O LYS B 14 7.220 0.047 -4.160 1.00 0.00 O ATOM 1302 CB LYS B 14 5.939 2.955 -3.115 1.00 0.00 C ATOM 1303 CG LYS B 14 4.694 2.151 -3.445 1.00 0.00 C ATOM 1304 CD LYS B 14 3.606 3.032 -4.060 1.00 0.00 C ATOM 1305 CE LYS B 14 3.975 3.454 -5.468 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.970 4.356 -6.055 1.00 0.00 N ATOM 0 H LYS B 14 8.056 4.026 -2.888 1.00 0.00 H new ATOM 0 HA LYS B 14 7.163 1.496 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.775 3.480 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.077 3.715 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.950 1.350 -4.138 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.313 1.679 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.661 2.490 -4.076 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.456 3.916 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.945 3.951 -5.455 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.079 2.569 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.936 4.215 -7.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.036 4.149 -5.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.227 5.343 -5.849 1.00 0.00 H new ATOM 1320 N LYS B 15 7.826 1.841 -5.348 1.00 0.00 N ATOM 1321 CA LYS B 15 8.092 1.102 -6.581 1.00 0.00 C ATOM 1322 C LYS B 15 9.230 0.113 -6.401 1.00 0.00 C ATOM 1323 O LYS B 15 9.172 -0.992 -6.933 1.00 0.00 O ATOM 1324 CB LYS B 15 8.324 2.048 -7.766 1.00 0.00 C ATOM 1325 CG LYS B 15 7.045 2.754 -8.210 1.00 0.00 C ATOM 1326 CD LYS B 15 7.265 3.920 -9.191 1.00 0.00 C ATOM 1327 CE LYS B 15 7.710 3.503 -10.603 1.00 0.00 C ATOM 1328 NZ LYS B 15 9.120 3.047 -10.687 1.00 0.00 N ATOM 0 H LYS B 15 7.985 2.846 -5.423 1.00 0.00 H new ATOM 0 HA LYS B 15 7.202 0.519 -6.816 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.070 2.794 -7.491 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.732 1.483 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.385 2.023 -8.677 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.529 3.131 -7.327 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.338 4.488 -9.271 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.015 4.591 -8.773 1.00 0.00 H new ATOM 0 HE2 LYS B 15 7.059 2.702 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.572 4.347 -11.279 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 9.546 3.398 -11.568 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 9.653 3.415 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 9.150 2.007 -10.678 1.00 0.00 H new ATOM 1342 N GLU B 16 10.246 0.495 -5.625 1.00 0.00 N ATOM 1343 CA GLU B 16 11.331 -0.422 -5.290 1.00 0.00 C ATOM 1344 C GLU B 16 10.779 -1.621 -4.521 1.00 0.00 C ATOM 1345 O GLU B 16 11.174 -2.772 -4.745 1.00 0.00 O ATOM 1346 CB GLU B 16 12.395 0.241 -4.413 1.00 0.00 C ATOM 1347 CG GLU B 16 13.227 1.328 -5.041 1.00 0.00 C ATOM 1348 CD GLU B 16 14.469 1.547 -4.213 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.418 0.735 -4.349 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.510 2.438 -3.360 1.00 0.00 O ATOM 0 H GLU B 16 10.338 1.427 -5.220 1.00 0.00 H new ATOM 0 HA GLU B 16 11.786 -0.730 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.898 0.659 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.070 -0.537 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.499 1.051 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.651 2.251 -5.105 1.00 0.00 H new ATOM 1357 N LEU B 17 9.863 -1.329 -3.623 1.00 0.00 N ATOM 1358 CA LEU B 17 9.227 -2.318 -2.793 1.00 0.00 C ATOM 1359 C LEU B 17 8.360 -3.250 -3.614 1.00 0.00 C ATOM 1360 O LEU B 17 8.411 -4.462 -3.425 1.00 0.00 O ATOM 1361 CB LEU B 17 8.438 -1.612 -1.653 1.00 0.00 C ATOM 1362 CG LEU B 17 7.446 -2.435 -0.799 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.137 -2.693 -1.504 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.080 -3.700 -0.251 1.00 0.00 C ATOM 0 H LEU B 17 9.536 -0.378 -3.449 1.00 0.00 H new ATOM 0 HA LEU B 17 9.989 -2.946 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.168 -1.171 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.881 -0.789 -2.101 1.00 0.00 H new ATOM 0 HG LEU B 17 7.195 -1.817 0.063 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.483 -3.275 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.659 -1.743 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.322 -3.248 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.347 -4.247 0.342 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.417 -4.326 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.932 -3.438 0.376 1.00 0.00 H new ATOM 1376 N ILE B 18 7.559 -2.680 -4.500 1.00 0.00 N ATOM 1377 CA ILE B 18 6.653 -3.449 -5.347 1.00 0.00 C ATOM 1378 C ILE B 18 7.427 -4.520 -6.105 1.00 0.00 C ATOM 1379 O ILE B 18 7.010 -5.666 -6.166 1.00 0.00 O ATOM 1380 CB ILE B 18 5.891 -2.527 -6.341 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.032 -1.527 -5.561 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.022 -3.348 -7.306 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.468 -0.410 -6.401 1.00 0.00 C ATOM 0 H ILE B 18 7.516 -1.673 -4.654 1.00 0.00 H new ATOM 0 HA ILE B 18 5.915 -3.930 -4.705 1.00 0.00 H new ATOM 0 HB ILE B 18 6.622 -1.982 -6.938 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.209 -2.063 -5.089 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.633 -1.096 -4.760 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.502 -2.676 -7.988 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.655 -4.027 -7.877 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.292 -3.924 -6.738 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.873 0.253 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.284 0.154 -6.852 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.838 -0.828 -7.186 1.00 0.00 H new ATOM 1395 N GLN B 19 8.585 -4.133 -6.607 1.00 0.00 N ATOM 1396 CA GLN B 19 9.471 -5.028 -7.339 1.00 0.00 C ATOM 1397 C GLN B 19 9.971 -6.163 -6.432 1.00 0.00 C ATOM 1398 O GLN B 19 10.127 -7.306 -6.870 1.00 0.00 O ATOM 1399 CB GLN B 19 10.654 -4.244 -7.897 1.00 0.00 C ATOM 1400 CG GLN B 19 10.259 -3.139 -8.861 1.00 0.00 C ATOM 1401 CD GLN B 19 11.443 -2.346 -9.365 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.544 -2.868 -9.498 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.241 -1.089 -9.641 1.00 0.00 N ATOM 0 H GLN B 19 8.943 -3.182 -6.519 1.00 0.00 H new ATOM 0 HA GLN B 19 8.912 -5.470 -8.164 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.212 -3.808 -7.068 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.327 -4.934 -8.406 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.733 -3.575 -9.710 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.561 -2.464 -8.366 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.313 -0.683 -9.520 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.011 -0.511 -9.978 1.00 0.00 H new ATOM 1412 N LEU B 20 10.191 -5.846 -5.172 1.00 0.00 N ATOM 1413 CA LEU B 20 10.646 -6.821 -4.198 1.00 0.00 C ATOM 1414 C LEU B 20 9.535 -7.799 -3.843 1.00 0.00 C ATOM 1415 O LEU B 20 9.756 -9.010 -3.863 1.00 0.00 O ATOM 1416 CB LEU B 20 11.210 -6.150 -2.944 1.00 0.00 C ATOM 1417 CG LEU B 20 12.495 -5.342 -3.137 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.893 -4.674 -1.843 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.624 -6.237 -3.634 1.00 0.00 C ATOM 0 H LEU B 20 10.060 -4.908 -4.794 1.00 0.00 H new ATOM 0 HA LEU B 20 11.458 -7.384 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.446 -5.489 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.398 -6.921 -2.197 1.00 0.00 H new ATOM 0 HG LEU B 20 12.307 -4.574 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.809 -4.103 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.097 -4.004 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.061 -5.433 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.529 -5.643 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.810 -7.026 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.342 -6.683 -4.588 1.00 0.00 H new ATOM 1431 N VAL B 21 8.343 -7.285 -3.512 1.00 0.00 N ATOM 1432 CA VAL B 21 7.190 -8.164 -3.265 1.00 0.00 C ATOM 1433 C VAL B 21 6.905 -9.016 -4.517 1.00 0.00 C ATOM 1434 O VAL B 21 6.605 -10.193 -4.418 1.00 0.00 O ATOM 1435 CB VAL B 21 5.918 -7.356 -2.909 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.779 -8.275 -2.483 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.218 -6.349 -1.833 1.00 0.00 C ATOM 0 H VAL B 21 8.152 -6.288 -3.410 1.00 0.00 H new ATOM 0 HA VAL B 21 7.441 -8.803 -2.418 1.00 0.00 H new ATOM 0 HB VAL B 21 5.598 -6.823 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL B 21 3.901 -7.677 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.539 -8.958 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.082 -8.848 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.313 -5.790 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.571 -6.865 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL B 21 6.988 -5.661 -2.183 1.00 0.00 H new ATOM 1447 N ALA B 22 7.042 -8.404 -5.679 1.00 0.00 N ATOM 1448 CA ALA B 22 6.834 -9.064 -6.960 1.00 0.00 C ATOM 1449 C ALA B 22 7.722 -10.293 -7.104 1.00 0.00 C ATOM 1450 O ALA B 22 7.228 -11.418 -7.266 1.00 0.00 O ATOM 1451 CB ALA B 22 7.114 -8.097 -8.088 1.00 0.00 C ATOM 0 H ALA B 22 7.304 -7.422 -5.763 1.00 0.00 H new ATOM 0 HA ALA B 22 5.795 -9.390 -7.005 1.00 0.00 H new ATOM 0 HB1 ALA B 22 6.957 -8.597 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.441 -7.243 -8.010 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.146 -7.753 -8.024 1.00 0.00 H new ATOM 1457 N ARG B 23 9.028 -10.087 -6.951 1.00 0.00 N ATOM 1458 CA ARG B 23 10.019 -11.151 -7.126 1.00 0.00 C ATOM 1459 C ARG B 23 9.963 -12.195 -6.001 1.00 0.00 C ATOM 1460 O ARG B 23 10.691 -13.198 -6.029 1.00 0.00 O ATOM 1461 CB ARG B 23 11.426 -10.567 -7.273 1.00 0.00 C ATOM 1462 CG ARG B 23 11.930 -9.843 -6.043 1.00 0.00 C ATOM 1463 CD ARG B 23 13.228 -9.111 -6.323 1.00 0.00 C ATOM 1464 NE ARG B 23 13.034 -8.027 -7.300 1.00 0.00 N ATOM 1465 CZ ARG B 23 13.917 -7.070 -7.586 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.100 -7.041 -6.981 1.00 0.00 N ATOM 1467 NH2 ARG B 23 13.614 -6.152 -8.486 1.00 0.00 N ATOM 0 H ARG B 23 9.430 -9.183 -6.703 1.00 0.00 H new ATOM 0 HA ARG B 23 9.767 -11.674 -8.049 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.118 -11.373 -7.515 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.434 -9.876 -8.116 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.176 -9.133 -5.703 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.081 -10.558 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.623 -8.699 -5.394 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.970 -9.815 -6.701 1.00 0.00 H new ATOM 0 HE ARG B 23 12.146 -8.006 -7.802 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.338 -7.754 -6.292 1.00 0.00 H new ATOM 0 HH12 ARG B 23 15.770 -6.305 -7.206 1.00 0.00 H new ATOM 0 HH21 ARG B 23 12.710 -6.178 -8.957 1.00 0.00 H new ATOM 0 HH22 ARG B 23 14.284 -5.417 -8.710 1.00 0.00 H new ATOM 1481 N HIS B 24 9.118 -11.951 -5.012 1.00 0.00 N ATOM 1482 CA HIS B 24 8.870 -12.914 -3.965 1.00 0.00 C ATOM 1483 C HIS B 24 8.183 -14.145 -4.556 1.00 0.00 C ATOM 1484 O HIS B 24 8.480 -15.276 -4.167 1.00 0.00 O ATOM 1485 CB HIS B 24 8.009 -12.296 -2.830 1.00 0.00 C ATOM 1486 CG HIS B 24 7.525 -13.289 -1.806 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.322 -13.963 -1.888 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.121 -13.743 -0.688 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.240 -14.784 -0.848 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.307 -14.691 -0.082 1.00 0.00 N ATOM 0 H HIS B 24 8.590 -11.083 -4.917 1.00 0.00 H new ATOM 0 HA HIS B 24 9.824 -13.211 -3.529 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.593 -11.527 -2.325 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.146 -11.800 -3.274 1.00 0.00 H new ATOM 0 HD2 HIS B 24 9.083 -13.420 -0.319 1.00 0.00 H new ATOM 0 HE1 HIS B 24 5.406 -15.443 -0.655 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.496 -15.207 0.777 1.00 0.00 H new ATOM 1498 N GLY B 25 7.305 -13.922 -5.522 1.00 0.00 N ATOM 1499 CA GLY B 25 6.583 -15.025 -6.112 1.00 0.00 C ATOM 1500 C GLY B 25 5.249 -14.632 -6.691 1.00 0.00 C ATOM 1501 O GLY B 25 4.460 -15.489 -7.065 1.00 0.00 O ATOM 0 H GLY B 25 7.082 -13.003 -5.905 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.194 -15.469 -6.898 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.429 -15.794 -5.355 1.00 0.00 H new ATOM 1505 N LEU B 26 4.973 -13.350 -6.714 1.00 0.00 N ATOM 1506 CA LEU B 26 3.788 -12.817 -7.302 1.00 0.00 C ATOM 1507 C LEU B 26 3.704 -13.044 -8.792 1.00 0.00 C ATOM 1508 O LEU B 26 4.719 -13.146 -9.497 1.00 0.00 O ATOM 1509 CB LEU B 26 3.728 -11.326 -7.044 1.00 0.00 C ATOM 1510 CG LEU B 26 3.083 -10.886 -5.745 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.786 -11.406 -4.519 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.890 -9.384 -5.707 1.00 0.00 C ATOM 0 H LEU B 26 5.586 -12.640 -6.313 1.00 0.00 H new ATOM 0 HA LEU B 26 2.951 -13.341 -6.842 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.745 -10.935 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.187 -10.860 -7.868 1.00 0.00 H new ATOM 0 HG LEU B 26 2.095 -11.346 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.270 -11.052 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.782 -12.496 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.815 -11.047 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.425 -9.101 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.858 -8.890 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.248 -9.079 -6.533 1.00 0.00 H new ATOM 1524 N ASP B 27 2.479 -13.140 -9.249 1.00 0.00 N ATOM 1525 CA ASP B 27 2.161 -13.163 -10.669 1.00 0.00 C ATOM 1526 C ASP B 27 2.313 -11.745 -11.158 1.00 0.00 C ATOM 1527 O ASP B 27 2.286 -10.816 -10.351 1.00 0.00 O ATOM 1528 CB ASP B 27 0.688 -13.552 -10.920 1.00 0.00 C ATOM 1529 CG ASP B 27 0.275 -14.914 -10.431 1.00 0.00 C ATOM 1530 OD1 ASP B 27 0.406 -15.888 -11.177 1.00 0.00 O ATOM 1531 OD2 ASP B 27 -0.261 -15.016 -9.298 1.00 0.00 O ATOM 0 H ASP B 27 1.660 -13.205 -8.644 1.00 0.00 H new ATOM 0 HA ASP B 27 2.810 -13.883 -11.168 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.050 -12.808 -10.444 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.496 -13.498 -11.992 1.00 0.00 H new ATOM 1536 N HIS B 28 2.399 -11.547 -12.435 1.00 0.00 N ATOM 1537 CA HIS B 28 2.506 -10.197 -12.960 1.00 0.00 C ATOM 1538 C HIS B 28 1.220 -9.407 -12.737 1.00 0.00 C ATOM 1539 O HIS B 28 1.257 -8.199 -12.523 1.00 0.00 O ATOM 1540 CB HIS B 28 2.972 -10.164 -14.413 1.00 0.00 C ATOM 1541 CG HIS B 28 4.442 -10.435 -14.569 1.00 0.00 C ATOM 1542 ND1 HIS B 28 5.354 -9.486 -14.984 1.00 0.00 N ATOM 1543 CD2 HIS B 28 5.161 -11.564 -14.339 1.00 0.00 C ATOM 1544 CE1 HIS B 28 6.560 -10.043 -14.992 1.00 0.00 C ATOM 1545 NE2 HIS B 28 6.504 -11.309 -14.605 1.00 0.00 N ATOM 0 H HIS B 28 2.398 -12.286 -13.138 1.00 0.00 H new ATOM 0 HA HIS B 28 3.289 -9.697 -12.390 1.00 0.00 H new ATOM 0 HB2 HIS B 28 2.410 -10.902 -14.985 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.742 -9.188 -14.840 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.756 -12.508 -14.004 1.00 0.00 H new ATOM 0 HE1 HIS B 28 7.467 -9.531 -15.277 1.00 0.00 H new ATOM 0 HE2 HIS B 28 7.283 -11.962 -14.520 1.00 0.00 H new ATOM 1553 N ASP B 29 0.088 -10.107 -12.727 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.201 -9.486 -12.404 1.00 0.00 C ATOM 1555 C ASP B 29 -1.224 -9.104 -10.948 1.00 0.00 C ATOM 1556 O ASP B 29 -1.778 -8.085 -10.573 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.389 -10.410 -12.716 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.724 -10.500 -14.185 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -2.043 -11.249 -14.929 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.689 -9.822 -14.634 1.00 0.00 O ATOM 0 H ASP B 29 0.034 -11.103 -12.938 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.305 -8.600 -13.030 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.167 -11.410 -12.342 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.266 -10.054 -12.175 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.571 -9.919 -10.134 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.461 -9.678 -8.704 1.00 0.00 C ATOM 1567 C LYS B 30 0.289 -8.390 -8.451 1.00 0.00 C ATOM 1568 O LYS B 30 -0.111 -7.609 -7.625 1.00 0.00 O ATOM 1569 CB LYS B 30 0.259 -10.840 -8.028 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.549 -12.115 -7.916 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.155 -12.272 -6.540 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.071 -13.489 -6.459 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.365 -14.759 -6.789 1.00 0.00 N ATOM 0 H LYS B 30 -0.101 -10.768 -10.448 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.464 -9.593 -8.285 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.172 -11.054 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.559 -10.529 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.341 -12.111 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.090 -12.971 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.359 -12.366 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.720 -11.375 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.488 -13.560 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.909 -13.355 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -1.934 -15.567 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.228 -14.823 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.439 -14.775 -6.315 1.00 0.00 H new ATOM 1587 N VAL B 31 1.355 -8.173 -9.210 1.00 0.00 N ATOM 1588 CA VAL B 31 2.173 -6.970 -9.106 1.00 0.00 C ATOM 1589 C VAL B 31 1.323 -5.744 -9.432 1.00 0.00 C ATOM 1590 O VAL B 31 1.376 -4.724 -8.737 1.00 0.00 O ATOM 1591 CB VAL B 31 3.371 -7.032 -10.094 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.293 -5.829 -9.938 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.143 -8.324 -9.918 1.00 0.00 C ATOM 0 H VAL B 31 1.679 -8.830 -9.920 1.00 0.00 H new ATOM 0 HA VAL B 31 2.556 -6.902 -8.088 1.00 0.00 H new ATOM 0 HB VAL B 31 2.964 -7.005 -11.105 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.118 -5.909 -10.646 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.734 -4.914 -10.134 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.687 -5.802 -8.922 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.977 -8.348 -10.619 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.524 -8.384 -8.898 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.484 -9.171 -10.110 1.00 0.00 H new ATOM 1603 N LEU B 32 0.514 -5.874 -10.464 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.365 -4.811 -10.916 1.00 0.00 C ATOM 1605 C LEU B 32 -1.420 -4.505 -9.883 1.00 0.00 C ATOM 1606 O LEU B 32 -1.652 -3.364 -9.556 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.020 -5.193 -12.237 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.062 -5.512 -13.384 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -0.833 -5.898 -14.619 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.863 -4.339 -13.672 1.00 0.00 C ATOM 0 H LEU B 32 0.447 -6.728 -11.018 1.00 0.00 H new ATOM 0 HA LEU B 32 0.237 -3.915 -11.064 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.657 -6.061 -12.068 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.671 -4.376 -12.548 1.00 0.00 H new ATOM 0 HG LEU B 32 0.558 -6.356 -13.082 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.137 -6.122 -15.427 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.440 -6.778 -14.408 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.481 -5.073 -14.916 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.532 -4.597 -14.493 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.270 -3.467 -13.948 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.450 -4.112 -12.782 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.030 -5.521 -9.350 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.069 -5.325 -8.367 1.00 0.00 C ATOM 1624 C LEU B 33 -2.485 -4.818 -7.055 1.00 0.00 C ATOM 1625 O LEU B 33 -3.054 -3.932 -6.424 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.867 -6.604 -8.173 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.476 -7.187 -9.456 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.245 -8.444 -9.166 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.356 -6.171 -10.166 1.00 0.00 C ATOM 0 H LEU B 33 -1.831 -6.496 -9.575 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.755 -4.561 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.218 -7.355 -7.722 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.671 -6.409 -7.463 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.651 -7.438 -10.123 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.665 -8.835 -10.092 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.577 -9.186 -8.729 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -6.051 -8.224 -8.466 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -5.771 -6.617 -11.070 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.168 -5.868 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -4.761 -5.298 -10.433 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.326 -5.348 -6.682 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.633 -4.936 -5.471 1.00 0.00 C ATOM 1643 C PHE B 34 -0.264 -3.463 -5.534 1.00 0.00 C ATOM 1644 O PHE B 34 -0.545 -2.709 -4.603 1.00 0.00 O ATOM 1645 CB PHE B 34 0.629 -5.795 -5.237 1.00 0.00 C ATOM 1646 CG PHE B 34 1.458 -5.350 -4.065 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.044 -5.607 -2.771 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.641 -4.651 -4.261 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.786 -5.174 -1.701 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.387 -4.224 -3.189 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.957 -4.484 -1.916 1.00 0.00 C ATOM 0 H PHE B 34 -0.842 -6.074 -7.211 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.311 -5.087 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.328 -6.832 -5.084 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.245 -5.771 -6.136 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.128 -6.154 -2.601 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.978 -4.441 -5.265 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.452 -5.374 -0.694 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.309 -3.685 -3.350 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.541 -4.145 -1.073 1.00 0.00 H new ATOM 1661 N SER B 35 0.332 -3.053 -6.646 1.00 0.00 N ATOM 1662 CA SER B 35 0.763 -1.684 -6.815 1.00 0.00 C ATOM 1663 C SER B 35 -0.414 -0.715 -6.738 1.00 0.00 C ATOM 1664 O SER B 35 -0.297 0.354 -6.166 1.00 0.00 O ATOM 1665 CB SER B 35 1.560 -1.530 -8.119 1.00 0.00 C ATOM 1666 OG SER B 35 0.860 -2.070 -9.218 1.00 0.00 O ATOM 0 H SER B 35 0.526 -3.657 -7.444 1.00 0.00 H new ATOM 0 HA SER B 35 1.429 -1.427 -5.991 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.765 -0.475 -8.299 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.524 -2.029 -8.019 1.00 0.00 H new ATOM 0 HG SER B 35 0.992 -3.041 -9.245 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.550 -1.132 -7.270 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.778 -0.337 -7.252 1.00 0.00 C ATOM 1674 C ARG B 36 -3.356 -0.246 -5.853 1.00 0.00 C ATOM 1675 O ARG B 36 -3.620 0.846 -5.345 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.810 -0.962 -8.184 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.400 -0.926 -9.621 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.321 -1.748 -10.503 1.00 0.00 C ATOM 1679 NE ARG B 36 -3.916 -1.673 -11.913 1.00 0.00 N ATOM 1680 CZ ARG B 36 -4.435 -2.411 -12.900 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -5.491 -3.188 -12.670 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -3.913 -2.348 -14.123 1.00 0.00 N ATOM 0 H ARG B 36 -1.653 -2.036 -7.731 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.532 0.670 -7.589 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -3.980 -1.997 -7.887 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -4.759 -0.438 -8.070 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.394 0.107 -9.969 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -2.381 -1.300 -9.715 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.311 -2.787 -10.174 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.345 -1.390 -10.397 1.00 0.00 H new ATOM 0 HE ARG B 36 -3.183 -1.007 -12.158 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -5.906 -3.222 -11.739 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -5.885 -3.750 -13.425 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -3.117 -1.737 -14.307 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -4.309 -2.911 -14.876 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.513 -1.392 -5.221 1.00 0.00 N ATOM 1697 CA ASP B 37 -4.143 -1.488 -3.903 1.00 0.00 C ATOM 1698 C ASP B 37 -3.299 -0.765 -2.849 1.00 0.00 C ATOM 1699 O ASP B 37 -3.826 -0.114 -1.936 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.352 -2.973 -3.539 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.302 -3.206 -2.355 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.218 -2.379 -2.134 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.219 -4.259 -1.679 1.00 0.00 O ATOM 0 H ASP B 37 -3.210 -2.289 -5.601 1.00 0.00 H new ATOM 0 HA ASP B 37 -5.117 -0.999 -3.930 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.742 -3.497 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.384 -3.418 -3.306 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.985 -0.838 -3.009 1.00 0.00 N ATOM 1709 CA LEU B 38 -1.067 -0.169 -2.105 1.00 0.00 C ATOM 1710 C LEU B 38 -0.993 1.324 -2.429 1.00 0.00 C ATOM 1711 O LEU B 38 -0.816 2.156 -1.540 1.00 0.00 O ATOM 1712 CB LEU B 38 0.325 -0.869 -2.132 1.00 0.00 C ATOM 1713 CG LEU B 38 1.384 -0.402 -1.109 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.411 -1.468 -0.911 1.00 0.00 C ATOM 1715 CD2 LEU B 38 2.110 0.790 -1.610 1.00 0.00 C ATOM 0 H LEU B 38 -1.532 -1.357 -3.761 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.438 -0.248 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.166 -1.937 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.744 -0.743 -3.130 1.00 0.00 H new ATOM 0 HG LEU B 38 0.858 -0.175 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU B 38 3.153 -1.129 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.930 -2.373 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.901 -1.682 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU B 38 2.851 1.101 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.611 0.544 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU B 38 1.403 1.602 -1.779 1.00 0.00 H new ATOM 1727 N ASP B 39 -1.169 1.661 -3.692 1.00 0.00 N ATOM 1728 CA ASP B 39 -1.133 3.062 -4.125 1.00 0.00 C ATOM 1729 C ASP B 39 -2.318 3.795 -3.532 1.00 0.00 C ATOM 1730 O ASP B 39 -2.191 4.923 -3.051 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.166 3.162 -5.645 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.887 4.548 -6.165 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.302 4.931 -6.268 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.823 5.280 -6.488 1.00 0.00 O ATOM 0 H ASP B 39 -1.339 0.991 -4.442 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.205 3.516 -3.777 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.432 2.472 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -2.145 2.840 -6.001 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.467 3.128 -3.536 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.682 3.658 -2.928 1.00 0.00 C ATOM 1741 C LYS B 40 -4.470 3.863 -1.438 1.00 0.00 C ATOM 1742 O LYS B 40 -4.849 4.891 -0.880 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.853 2.705 -3.140 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.266 2.518 -4.594 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.433 1.536 -4.740 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.713 2.041 -4.063 1.00 0.00 C ATOM 1747 NZ LYS B 40 -9.234 3.276 -4.689 1.00 0.00 N ATOM 0 H LYS B 40 -3.582 2.207 -3.960 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.911 4.612 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.592 1.732 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.711 3.074 -2.577 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.549 3.482 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.414 2.156 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.629 1.364 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.152 0.576 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -9.476 1.264 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.513 2.228 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -10.167 3.502 -4.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -8.578 4.062 -4.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -9.324 3.134 -5.715 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.838 2.879 -0.814 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.521 2.910 0.607 1.00 0.00 C ATOM 1763 C LEU B 41 -2.651 4.124 0.929 1.00 0.00 C ATOM 1764 O LEU B 41 -2.914 4.857 1.889 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.834 1.586 1.005 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.342 1.430 2.450 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.453 1.716 3.446 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.846 0.019 2.652 1.00 0.00 C ATOM 0 H LEU B 41 -3.528 2.029 -1.284 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.437 3.007 1.190 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.532 0.774 0.802 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.979 1.443 0.345 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.538 2.147 2.619 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.072 1.597 4.460 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -3.810 2.737 3.310 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.276 1.020 3.283 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.494 -0.100 3.677 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.658 -0.683 2.463 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -1.026 -0.181 1.962 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.663 4.363 0.096 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.796 5.503 0.276 1.00 0.00 C ATOM 1782 C ILE B 42 -1.556 6.805 0.056 1.00 0.00 C ATOM 1783 O ILE B 42 -1.573 7.649 0.936 1.00 0.00 O ATOM 1784 CB ILE B 42 0.490 5.429 -0.599 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.382 4.294 -0.100 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.258 6.754 -0.596 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.690 4.175 -0.828 1.00 0.00 C ATOM 0 H ILE B 42 -1.441 3.782 -0.713 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.455 5.481 1.311 1.00 0.00 H new ATOM 0 HB ILE B 42 0.190 5.233 -1.628 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.582 4.443 0.961 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.840 3.353 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.148 6.660 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.621 7.545 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.553 7.002 0.424 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.263 3.346 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.502 3.993 -1.886 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.255 5.100 -0.714 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.250 6.924 -1.074 1.00 0.00 N ATOM 1800 CA ASN B 43 -3.018 8.149 -1.403 1.00 0.00 C ATOM 1801 C ASN B 43 -4.054 8.479 -0.339 1.00 0.00 C ATOM 1802 O ASN B 43 -4.363 9.658 -0.103 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.688 8.069 -2.788 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.728 8.302 -3.949 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -2.532 9.429 -4.405 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.140 7.264 -4.446 1.00 0.00 N ATOM 0 H ASN B 43 -2.304 6.194 -1.784 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.287 8.957 -1.430 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.150 7.088 -2.902 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.489 8.807 -2.837 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.498 7.369 -5.232 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.317 6.340 -4.052 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.568 7.446 0.307 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.516 7.595 1.391 1.00 0.00 C ATOM 1815 C LYS B 44 -4.855 8.311 2.573 1.00 0.00 C ATOM 1816 O LYS B 44 -5.367 9.322 3.059 1.00 0.00 O ATOM 1817 CB LYS B 44 -6.038 6.219 1.828 1.00 0.00 C ATOM 1818 CG LYS B 44 -7.126 6.259 2.895 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.516 4.861 3.359 1.00 0.00 C ATOM 1820 CE LYS B 44 -8.111 4.022 2.230 1.00 0.00 C ATOM 1821 NZ LYS B 44 -9.337 4.627 1.656 1.00 0.00 N ATOM 0 H LYS B 44 -4.336 6.477 0.091 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.358 8.195 1.044 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.426 5.698 0.953 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -5.201 5.631 2.204 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.777 6.841 3.748 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -8.004 6.769 2.499 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.638 4.355 3.761 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -8.239 4.938 4.171 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.367 3.900 1.442 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -8.344 3.026 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -9.785 3.952 1.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -10.000 4.861 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -9.087 5.494 1.138 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.698 7.805 2.992 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.956 8.368 4.123 1.00 0.00 C ATOM 1837 C PHE B 45 -2.281 9.698 3.786 1.00 0.00 C ATOM 1838 O PHE B 45 -2.160 10.580 4.643 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.963 7.354 4.701 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.615 6.316 5.578 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.285 5.228 5.041 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.560 6.441 6.955 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.884 4.292 5.862 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.154 5.510 7.777 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.817 4.434 7.230 1.00 0.00 C ATOM 0 H PHE B 45 -3.248 6.997 2.561 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.690 8.590 4.898 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.446 6.855 3.882 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.207 7.885 5.279 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.339 5.111 3.969 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.043 7.282 7.392 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.404 3.449 5.431 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.100 5.623 8.850 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.284 3.703 7.873 1.00 0.00 H new ATOM 1855 N MET B 46 -1.870 9.849 2.535 1.00 0.00 N ATOM 1856 CA MET B 46 -1.282 11.112 2.025 1.00 0.00 C ATOM 1857 C MET B 46 -2.354 12.177 2.011 1.00 0.00 C ATOM 1858 O MET B 46 -2.074 13.377 2.090 1.00 0.00 O ATOM 1859 CB MET B 46 -0.792 10.911 0.590 1.00 0.00 C ATOM 1860 CG MET B 46 0.340 9.918 0.446 1.00 0.00 C ATOM 1861 SD MET B 46 1.893 10.496 1.109 1.00 0.00 S ATOM 1862 CE MET B 46 2.253 11.763 -0.093 1.00 0.00 C ATOM 0 H MET B 46 -1.928 9.110 1.834 1.00 0.00 H new ATOM 0 HA MET B 46 -0.450 11.406 2.665 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.630 10.579 -0.023 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.467 11.873 0.192 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.064 8.991 0.948 1.00 0.00 H new ATOM 0 HG3 MET B 46 0.472 9.682 -0.610 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.284 12.096 0.027 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.115 11.362 -1.097 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.580 12.607 0.056 1.00 0.00 H new ATOM 1872 N ASN B 47 -3.585 11.698 1.907 1.00 0.00 N ATOM 1873 CA ASN B 47 -4.789 12.491 1.839 1.00 0.00 C ATOM 1874 C ASN B 47 -4.704 13.437 0.667 1.00 0.00 C ATOM 1875 O ASN B 47 -4.548 14.655 0.817 1.00 0.00 O ATOM 1876 CB ASN B 47 -5.094 13.227 3.150 1.00 0.00 C ATOM 1877 CG ASN B 47 -6.491 13.807 3.165 1.00 0.00 C ATOM 1878 OD1 ASN B 47 -7.417 13.250 2.550 1.00 0.00 O ATOM 1879 ND2 ASN B 47 -6.669 14.906 3.848 1.00 0.00 N ATOM 0 H ASN B 47 -3.773 10.696 1.866 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.629 11.814 1.687 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.979 12.538 3.987 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -4.368 14.027 3.293 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -7.593 15.337 3.890 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -5.884 15.334 4.340 1.00 0.00 H new ATOM 1886 N VAL B 48 -4.727 12.850 -0.497 1.00 0.00 N ATOM 1887 CA VAL B 48 -4.603 13.560 -1.724 1.00 0.00 C ATOM 1888 C VAL B 48 -5.902 14.174 -2.058 1.00 0.00 C ATOM 1889 O VAL B 48 -6.977 13.557 -1.890 1.00 0.00 O ATOM 1890 CB VAL B 48 -4.079 12.685 -2.899 1.00 0.00 C ATOM 1891 CG1 VAL B 48 -2.671 12.199 -2.606 1.00 0.00 C ATOM 1892 CG2 VAL B 48 -5.004 11.503 -3.181 1.00 0.00 C ATOM 0 H VAL B 48 -4.835 11.842 -0.614 1.00 0.00 H new ATOM 0 HA VAL B 48 -3.847 14.332 -1.581 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.061 13.308 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -2.317 11.588 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -2.010 13.056 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -2.674 11.604 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -4.603 10.917 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -5.074 10.876 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.995 11.872 -3.444 1.00 0.00 H new ATOM 1902 N LYS B 49 -5.832 15.367 -2.471 1.00 0.00 N ATOM 1903 CA LYS B 49 -6.984 16.115 -2.719 1.00 0.00 C ATOM 1904 C LYS B 49 -7.201 16.218 -4.189 1.00 0.00 C ATOM 1905 O LYS B 49 -6.527 16.982 -4.897 1.00 0.00 O ATOM 1906 CB LYS B 49 -6.860 17.455 -2.044 1.00 0.00 C ATOM 1907 CG LYS B 49 -6.525 17.314 -0.563 1.00 0.00 C ATOM 1908 CD LYS B 49 -6.343 18.677 0.074 1.00 0.00 C ATOM 1909 CE LYS B 49 -5.891 18.593 1.521 1.00 0.00 C ATOM 1910 NZ LYS B 49 -6.867 17.906 2.382 1.00 0.00 N ATOM 0 H LYS B 49 -4.958 15.861 -2.650 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.864 15.626 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.085 18.040 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -7.794 18.006 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -7.322 16.772 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -5.614 16.727 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -5.610 19.246 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -7.283 19.226 0.023 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -4.937 18.068 1.569 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -5.721 19.599 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -6.541 17.936 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -7.790 18.380 2.308 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -6.961 16.916 2.079 1.00 0.00 H new ATOM 1924 N ASP B 50 -8.054 15.354 -4.649 1.00 0.00 N ATOM 1925 CA ASP B 50 -8.442 15.273 -6.029 1.00 0.00 C ATOM 1926 C ASP B 50 -9.066 16.570 -6.499 1.00 0.00 C ATOM 1927 O ASP B 50 -10.051 17.069 -5.937 1.00 0.00 O ATOM 1928 CB ASP B 50 -9.350 14.054 -6.287 1.00 0.00 C ATOM 1929 CG ASP B 50 -10.525 13.946 -5.335 1.00 0.00 C ATOM 1930 OD1 ASP B 50 -10.320 13.491 -4.164 1.00 0.00 O ATOM 1931 OD2 ASP B 50 -11.656 14.282 -5.715 1.00 0.00 O ATOM 0 H ASP B 50 -8.515 14.663 -4.057 1.00 0.00 H new ATOM 0 HA ASP B 50 -7.542 15.122 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -9.727 14.105 -7.308 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -8.751 13.146 -6.213 1.00 0.00 H new ATOM 1936 N LYS B 51 -8.470 17.114 -7.530 1.00 0.00 N ATOM 1937 CA LYS B 51 -8.840 18.409 -8.071 1.00 0.00 C ATOM 1938 C LYS B 51 -9.864 18.277 -9.193 1.00 0.00 C ATOM 1939 O LYS B 51 -10.004 19.165 -10.042 1.00 0.00 O ATOM 1940 CB LYS B 51 -7.588 19.168 -8.549 1.00 0.00 C ATOM 1941 CG LYS B 51 -6.695 18.395 -9.516 1.00 0.00 C ATOM 1942 CD LYS B 51 -5.562 19.268 -10.026 1.00 0.00 C ATOM 1943 CE LYS B 51 -4.581 18.494 -10.897 1.00 0.00 C ATOM 1944 NZ LYS B 51 -3.757 17.543 -10.119 1.00 0.00 N ATOM 0 H LYS B 51 -7.701 16.667 -8.029 1.00 0.00 H new ATOM 0 HA LYS B 51 -9.309 18.985 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -7.904 20.093 -9.031 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -6.997 19.449 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -6.286 17.517 -9.016 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -7.289 18.035 -10.357 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -5.976 20.098 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -5.029 19.700 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.133 17.949 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -3.928 19.197 -11.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -3.050 17.105 -10.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -3.273 18.050 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -4.368 16.804 -9.715 1.00 0.00 H new ATOM 1958 N VAL B 52 -10.597 17.200 -9.177 1.00 0.00 N ATOM 1959 CA VAL B 52 -11.640 16.985 -10.155 1.00 0.00 C ATOM 1960 C VAL B 52 -12.885 17.778 -9.758 1.00 0.00 C ATOM 1961 O VAL B 52 -12.989 18.267 -8.626 1.00 0.00 O ATOM 1962 CB VAL B 52 -11.998 15.486 -10.311 1.00 0.00 C ATOM 1963 CG1 VAL B 52 -10.805 14.702 -10.805 1.00 0.00 C ATOM 1964 CG2 VAL B 52 -12.493 14.907 -9.004 1.00 0.00 C ATOM 0 H VAL B 52 -10.495 16.449 -8.495 1.00 0.00 H new ATOM 0 HA VAL B 52 -11.266 17.331 -11.119 1.00 0.00 H new ATOM 0 HB VAL B 52 -12.798 15.410 -11.047 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -11.077 13.652 -10.908 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -10.489 15.091 -11.773 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -9.987 14.796 -10.091 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -12.737 13.854 -9.142 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -11.716 15.003 -8.246 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -13.383 15.447 -8.681 1.00 0.00 H new ATOM 1974 N HIS B 53 -13.831 17.878 -10.657 1.00 0.00 N ATOM 1975 CA HIS B 53 -15.053 18.633 -10.404 1.00 0.00 C ATOM 1976 C HIS B 53 -16.183 17.698 -10.020 1.00 0.00 C ATOM 1977 O HIS B 53 -17.371 17.991 -10.205 1.00 0.00 O ATOM 1978 CB HIS B 53 -15.424 19.488 -11.613 1.00 0.00 C ATOM 1979 CG HIS B 53 -14.434 20.565 -11.920 1.00 0.00 C ATOM 1980 ND1 HIS B 53 -13.662 20.600 -13.054 1.00 0.00 N ATOM 1981 CD2 HIS B 53 -14.122 21.681 -11.222 1.00 0.00 C ATOM 1982 CE1 HIS B 53 -12.920 21.703 -13.019 1.00 0.00 C ATOM 1983 NE2 HIS B 53 -13.162 22.403 -11.920 1.00 0.00 N ATOM 0 H HIS B 53 -13.787 17.446 -11.580 1.00 0.00 H new ATOM 0 HA HIS B 53 -14.876 19.308 -9.567 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -15.525 18.842 -12.485 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -16.399 19.943 -11.438 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -14.551 21.966 -10.273 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -12.214 21.990 -13.784 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -12.733 23.287 -11.644 1.00 0.00 H new ATOM 1991 N LYS B 54 -15.795 16.588 -9.468 1.00 0.00 N ATOM 1992 CA LYS B 54 -16.694 15.607 -8.953 1.00 0.00 C ATOM 1993 C LYS B 54 -16.208 15.276 -7.566 1.00 0.00 C ATOM 1994 O LYS B 54 -15.295 14.468 -7.384 1.00 0.00 O ATOM 1995 CB LYS B 54 -16.757 14.370 -9.895 1.00 0.00 C ATOM 1996 CG LYS B 54 -17.753 13.256 -9.508 1.00 0.00 C ATOM 1997 CD LYS B 54 -17.213 12.307 -8.436 1.00 0.00 C ATOM 1998 CE LYS B 54 -18.212 11.221 -8.113 1.00 0.00 C ATOM 1999 NZ LYS B 54 -17.658 10.205 -7.202 1.00 0.00 N ATOM 0 H LYS B 54 -14.813 16.335 -9.362 1.00 0.00 H new ATOM 0 HA LYS B 54 -17.719 15.975 -8.902 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -17.007 14.718 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -15.760 13.932 -9.949 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -18.676 13.712 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -18.008 12.681 -10.398 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -16.282 11.857 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -16.980 12.870 -7.532 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -19.097 11.668 -7.660 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -18.534 10.740 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -18.432 9.632 -6.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -17.003 9.590 -7.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -17.148 10.675 -6.427 1.00 0.00 H new ATOM 2013 N LEU B 55 -16.720 15.997 -6.621 1.00 0.00 N ATOM 2014 CA LEU B 55 -16.347 15.841 -5.254 1.00 0.00 C ATOM 2015 C LEU B 55 -17.224 14.802 -4.602 1.00 0.00 C ATOM 2016 O LEU B 55 -18.346 14.548 -5.066 1.00 0.00 O ATOM 2017 CB LEU B 55 -16.478 17.179 -4.494 1.00 0.00 C ATOM 2018 CG LEU B 55 -15.555 18.353 -4.909 1.00 0.00 C ATOM 2019 CD1 LEU B 55 -14.094 17.971 -4.846 1.00 0.00 C ATOM 2020 CD2 LEU B 55 -15.913 18.940 -6.275 1.00 0.00 C ATOM 0 H LEU B 55 -17.420 16.722 -6.781 1.00 0.00 H new ATOM 0 HA LEU B 55 -15.306 15.519 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -17.510 17.517 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -16.306 16.979 -3.436 1.00 0.00 H new ATOM 0 HG LEU B 55 -15.727 19.140 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -13.482 18.822 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -13.838 17.679 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -13.907 17.135 -5.520 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -15.232 19.758 -6.510 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -15.827 18.166 -7.038 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -16.936 19.315 -6.253 1.00 0.00 H new ATOM 2032 N GLU B 56 -16.728 14.199 -3.557 1.00 0.00 N ATOM 2033 CA GLU B 56 -17.503 13.241 -2.812 1.00 0.00 C ATOM 2034 C GLU B 56 -18.399 13.993 -1.863 1.00 0.00 C ATOM 2035 O GLU B 56 -19.628 13.956 -1.989 1.00 0.00 O ATOM 2036 CB GLU B 56 -16.590 12.310 -2.013 1.00 0.00 C ATOM 2037 CG GLU B 56 -15.623 11.516 -2.851 1.00 0.00 C ATOM 2038 CD GLU B 56 -16.310 10.564 -3.783 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -16.638 10.952 -4.910 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -16.499 9.388 -3.410 1.00 0.00 O ATOM 0 H GLU B 56 -15.785 14.354 -3.199 1.00 0.00 H new ATOM 0 HA GLU B 56 -18.091 12.636 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -16.026 12.904 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -17.208 11.619 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -15.003 12.201 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -14.955 10.958 -2.196 1.00 0.00 H new ATOM 2047 N HIS B 57 -17.743 14.721 -0.949 1.00 0.00 N ATOM 2048 CA HIS B 57 -18.357 15.500 0.124 1.00 0.00 C ATOM 2049 C HIS B 57 -19.192 14.583 1.014 1.00 0.00 C ATOM 2050 O HIS B 57 -18.715 14.088 2.037 1.00 0.00 O ATOM 2051 CB HIS B 57 -19.192 16.687 -0.417 1.00 0.00 C ATOM 2052 CG HIS B 57 -19.636 17.666 0.645 1.00 0.00 C ATOM 2053 ND1 HIS B 57 -18.984 18.848 0.928 1.00 0.00 N ATOM 2054 CD2 HIS B 57 -20.689 17.612 1.497 1.00 0.00 C ATOM 2055 CE1 HIS B 57 -19.635 19.457 1.918 1.00 0.00 C ATOM 2056 NE2 HIS B 57 -20.686 18.743 2.305 1.00 0.00 N ATOM 0 H HIS B 57 -16.725 14.783 -0.941 1.00 0.00 H new ATOM 0 HA HIS B 57 -17.560 15.940 0.723 1.00 0.00 H new ATOM 0 HB2 HIS B 57 -18.604 17.220 -1.164 1.00 0.00 H new ATOM 0 HB3 HIS B 57 -20.073 16.295 -0.925 1.00 0.00 H new ATOM 0 HD2 HIS B 57 -21.416 16.815 1.541 1.00 0.00 H new ATOM 0 HE1 HIS B 57 -19.347 20.405 2.348 1.00 0.00 H new ATOM 0 HE2 HIS B 57 -21.352 18.976 3.042 1.00 0.00 H new ATOM 2064 N HIS B 58 -20.391 14.314 0.593 1.00 0.00 N ATOM 2065 CA HIS B 58 -21.267 13.445 1.288 1.00 0.00 C ATOM 2066 C HIS B 58 -21.773 12.438 0.284 1.00 0.00 C ATOM 2067 O HIS B 58 -22.787 12.651 -0.370 1.00 0.00 O ATOM 2068 CB HIS B 58 -22.438 14.221 1.955 1.00 0.00 C ATOM 2069 CG HIS B 58 -23.357 13.389 2.837 1.00 0.00 C ATOM 2070 ND1 HIS B 58 -23.419 13.506 4.208 1.00 0.00 N ATOM 2071 CD2 HIS B 58 -24.288 12.452 2.510 1.00 0.00 C ATOM 2072 CE1 HIS B 58 -24.347 12.667 4.660 1.00 0.00 C ATOM 2073 NE2 HIS B 58 -24.910 11.999 3.670 1.00 0.00 N ATOM 0 H HIS B 58 -20.788 14.705 -0.262 1.00 0.00 H new ATOM 0 HA HIS B 58 -20.741 12.946 2.102 1.00 0.00 H new ATOM 0 HB2 HIS B 58 -22.020 15.029 2.556 1.00 0.00 H new ATOM 0 HB3 HIS B 58 -23.037 14.684 1.171 1.00 0.00 H new ATOM 0 HD2 HIS B 58 -24.509 12.113 1.509 1.00 0.00 H new ATOM 0 HE1 HIS B 58 -24.606 12.548 5.702 1.00 0.00 H new ATOM 0 HE2 HIS B 58 -25.647 11.297 3.740 1.00 0.00 H new ATOM 2081 N HIS B 59 -21.017 11.400 0.081 1.00 0.00 N ATOM 2082 CA HIS B 59 -21.422 10.368 -0.829 1.00 0.00 C ATOM 2083 C HIS B 59 -21.803 9.153 -0.014 1.00 0.00 C ATOM 2084 O HIS B 59 -21.057 8.173 0.093 1.00 0.00 O ATOM 2085 CB HIS B 59 -20.327 10.058 -1.872 1.00 0.00 C ATOM 2086 CG HIS B 59 -20.781 9.163 -2.998 1.00 0.00 C ATOM 2087 ND1 HIS B 59 -20.339 7.873 -3.191 1.00 0.00 N ATOM 2088 CD2 HIS B 59 -21.645 9.416 -4.014 1.00 0.00 C ATOM 2089 CE1 HIS B 59 -20.928 7.388 -4.287 1.00 0.00 C ATOM 2090 NE2 HIS B 59 -21.739 8.290 -4.830 1.00 0.00 N ATOM 0 H HIS B 59 -20.116 11.245 0.533 1.00 0.00 H new ATOM 0 HA HIS B 59 -22.283 10.700 -1.409 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -19.965 10.996 -2.292 1.00 0.00 H new ATOM 0 HB3 HIS B 59 -19.483 9.588 -1.367 1.00 0.00 H new ATOM 0 HD2 HIS B 59 -22.176 10.344 -4.166 1.00 0.00 H new ATOM 0 HE1 HIS B 59 -20.767 6.395 -4.680 1.00 0.00 H new ATOM 0 HE2 HIS B 59 -22.310 8.181 -5.668 1.00 0.00 H new ATOM 2098 N HIS B 60 -22.918 9.293 0.660 1.00 0.00 N ATOM 2099 CA HIS B 60 -23.454 8.283 1.539 1.00 0.00 C ATOM 2100 C HIS B 60 -24.953 8.334 1.383 1.00 0.00 C ATOM 2101 O HIS B 60 -25.585 9.309 1.782 1.00 0.00 O ATOM 2102 CB HIS B 60 -23.093 8.570 3.026 1.00 0.00 C ATOM 2103 CG HIS B 60 -21.626 8.768 3.320 1.00 0.00 C ATOM 2104 ND1 HIS B 60 -20.718 7.746 3.469 1.00 0.00 N ATOM 2105 CD2 HIS B 60 -20.922 9.917 3.476 1.00 0.00 C ATOM 2106 CE1 HIS B 60 -19.517 8.287 3.706 1.00 0.00 C ATOM 2107 NE2 HIS B 60 -19.586 9.610 3.718 1.00 0.00 N ATOM 0 H HIS B 60 -23.493 10.134 0.611 1.00 0.00 H new ATOM 0 HA HIS B 60 -23.040 7.308 1.282 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -23.632 9.462 3.345 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -23.458 7.743 3.635 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -21.334 10.914 3.421 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -18.612 7.720 3.866 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -18.820 10.266 3.872 1.00 0.00 H new ATOM 2115 N HIS B 61 -25.511 7.351 0.748 1.00 0.00 N ATOM 2116 CA HIS B 61 -26.934 7.333 0.497 1.00 0.00 C ATOM 2117 C HIS B 61 -27.481 5.929 0.443 1.00 0.00 C ATOM 2118 O HIS B 61 -26.848 5.012 -0.106 1.00 0.00 O ATOM 2119 CB HIS B 61 -27.289 8.121 -0.794 1.00 0.00 C ATOM 2120 CG HIS B 61 -26.458 7.758 -1.996 1.00 0.00 C ATOM 2121 ND1 HIS B 61 -26.543 6.706 -2.841 1.00 0.00 N flip ATOM 2122 CD2 HIS B 61 -25.383 8.499 -2.420 1.00 0.00 C flip ATOM 2123 CE1 HIS B 61 -25.519 6.795 -3.776 1.00 0.00 C flip ATOM 2124 NE2 HIS B 61 -24.854 7.896 -3.474 1.00 0.00 N flip ATOM 0 H HIS B 61 -25.006 6.541 0.388 1.00 0.00 H new ATOM 0 HA HIS B 61 -27.412 7.833 1.339 1.00 0.00 H new ATOM 0 HB2 HIS B 61 -28.340 7.952 -1.030 1.00 0.00 H new ATOM 0 HB3 HIS B 61 -27.174 9.187 -0.597 1.00 0.00 H new ATOM 0 HD2 HIS B 61 -25.030 9.416 -1.971 1.00 0.00 H new ATOM 0 HE1 HIS B 61 -25.310 6.107 -4.582 1.00 0.00 H new ATOM 0 HE2 HIS B 61 -24.040 8.237 -3.985 1.00 0.00 H new ATOM 2132 N HIS B 62 -28.633 5.770 1.036 1.00 0.00 N ATOM 2133 CA HIS B 62 -29.379 4.543 1.037 1.00 0.00 C ATOM 2134 C HIS B 62 -30.777 4.907 1.487 1.00 0.00 C ATOM 2135 O HIS B 62 -31.103 4.776 2.684 1.00 0.00 O ATOM 2136 CB HIS B 62 -28.741 3.488 1.973 1.00 0.00 C ATOM 2137 CG HIS B 62 -29.384 2.120 1.911 1.00 0.00 C ATOM 2138 ND1 HIS B 62 -28.921 1.093 1.124 1.00 0.00 N ATOM 2139 CD2 HIS B 62 -30.460 1.619 2.574 1.00 0.00 C ATOM 2140 CE1 HIS B 62 -29.702 0.030 1.323 1.00 0.00 C ATOM 2141 NE2 HIS B 62 -30.656 0.295 2.197 1.00 0.00 N ATOM 2142 OXT HIS B 62 -31.524 5.454 0.667 1.00 0.00 O ATOM 0 H HIS B 62 -29.094 6.520 1.551 1.00 0.00 H new ATOM 0 HA HIS B 62 -29.387 4.089 0.046 1.00 0.00 H new ATOM 0 HB2 HIS B 62 -27.685 3.390 1.722 1.00 0.00 H new ATOM 0 HB3 HIS B 62 -28.792 3.853 2.999 1.00 0.00 H new ATOM 0 HD1 HIS B 62 -28.118 1.136 0.496 1.00 0.00 H new ATOM 0 HD2 HIS B 62 -31.067 2.164 3.282 1.00 0.00 H new ATOM 0 HE1 HIS B 62 -29.571 -0.924 0.833 1.00 0.00 H new TER 2150 HIS B 62