USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1058 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 21 ASN : amide:sc= -3.93 K(o=-2.7,f=-13!) USER MOD Set 1.2: A 115 TYR OH : rot 13:sc= 1.22 USER MOD Set 2.1: A 94 SER OG : rot -170:sc= 0.0554 USER MOD Set 2.2: A 97 ASN : amide:sc= -1.58 K(o=-1.5,f=-12!) USER MOD Set 3.1: A 88 HIS : no HE2:sc= -1.91! C(o=-1!,f=-17!) USER MOD Set 3.2: A 106 TYR OH : rot 180:sc= 0.883 USER MOD Set 4.1: A 35 THR OG1 : rot -48:sc= 1.47 USER MOD Set 4.2: A 82 LYS NZ :NH3+ -170:sc= -0.858! (180deg=0.715) USER MOD Set 5.1: A 71 HIS : no HE2:sc= -9.28! C(o=-9.3!,f=-21!) USER MOD Set 5.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 60 SER OG : rot 178:sc= 1.03 USER MOD Set 6.2: A 72 HIS : no HD1:sc= -3.78! C(o=-2.7!,f=-20!) USER MOD Set 7.1: A 9 GLN : amide:sc= -2.64! C(o=-4!,f=-19!) USER MOD Set 7.2: A 99 GLN : amide:sc= -1.36 X(o=-4,f=-3.5) USER MOD Set 8.1: A 1 GLY N :NH3+ 175:sc= -0.012 (180deg=0) USER MOD Set 8.2: A 3 MET CE :methyl 150:sc= -0.26 (180deg=-0.201) USER MOD Single : A 5 SER OG : rot -81:sc= 0.679 USER MOD Single : A 8 THR OG1 : rot 61:sc= 0.345 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.475 F(o=-1.3,f=-0.47) USER MOD Single : A 16 SER OG : rot -105:sc= 1.07 USER MOD Single : A 17 MET CE :methyl 157:sc= -1.26 (180deg=-1.72!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 152:sc= -1.74! (180deg=-4.56!) USER MOD Single : A 26 SER OG : rot 77:sc= 0.259 USER MOD Single : A 29 GLN : amide:sc= 0.527 K(o=0.53,f=-0.45) USER MOD Single : A 30 CYS SG : rot -70:sc= -2.24 USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= -0.141 (180deg=-0.675) USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= -0.159 (180deg=-2.21!) USER MOD Single : A 43 TYR OH : rot 135:sc= 0.162 USER MOD Single : A 48 THR OG1 : rot 180:sc= -2.88! USER MOD Single : A 49 ASN : amide:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= -0.669! (180deg=-1.07!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.913! USER MOD Single : A 55 ASN : amide:sc= -1.27! C(o=-1.3!,f=-3.5!) USER MOD Single : A 61 THR OG1 : rot 42:sc= -1.84! USER MOD Single : A 62 LYS NZ :NH3+ -145:sc= 0.386 (180deg=-0.808!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 0.697 (180deg=0.317) USER MOD Single : A 70 THR OG1 : rot 157:sc= 1.15 USER MOD Single : A 74 MET CE :methyl 150:sc= -2.36 (180deg=-4.25) USER MOD Single : A 77 HIS : no HD1:sc= -8.13! C(o=-8.1!,f=-7.8!) USER MOD Single : A 80 SER OG : rot -43:sc= -0.64! USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= -1.99! (180deg=-2.27!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -148:sc= 0.669 (180deg=0.245) USER MOD Single : A 95 LYS NZ :NH3+ -144:sc= -0.182 (180deg=-1.27!) USER MOD Single : A 96 GLN : amide:sc= -0.934 K(o=-0.93,f=-3.5!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -4.37! C(o=-4.4!,f=-14!) USER MOD Single : A 105 MET CE :methyl 153:sc= -1.76 (180deg=-4.21!) USER MOD Single : A 113 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.409) USER MOD Single : A 116 TYR OH : rot 172:sc= -1.17! USER MOD Single : A 119 LYS NZ :NH3+ -151:sc= -0.31 (180deg=-1.66!) USER MOD Single : A 121 LYS NZ :NH3+ 159:sc= -0.142 (180deg=-0.719) USER MOD Single : A 123 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-5.3!) USER MOD Single : A 126 SER OG : rot 180:sc= -0.524 USER MOD Single : A 127 ASN :FLIP amide:sc= -0.681 F(o=-1.3,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.470 1.329 25.048 1.00 0.00 N ATOM 2 CA GLY A 1 3.127 1.735 24.638 1.00 0.00 C ATOM 3 C GLY A 1 2.539 0.750 23.640 1.00 0.00 C ATOM 4 O GLY A 1 2.928 -0.423 23.607 1.00 0.00 O ATOM 0 H1 GLY A 1 4.881 2.060 25.662 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.417 0.430 25.568 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.068 1.208 24.206 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.480 1.801 25.513 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.164 2.730 24.194 1.00 0.00 H new ATOM 8 N ALA A 2 1.637 1.224 22.808 1.00 0.00 N ATOM 9 CA ALA A 2 1.045 0.393 21.768 1.00 0.00 C ATOM 10 C ALA A 2 2.073 0.150 20.682 1.00 0.00 C ATOM 11 O ALA A 2 1.987 0.688 19.578 1.00 0.00 O ATOM 12 CB ALA A 2 -0.205 1.058 21.179 1.00 0.00 C ATOM 0 H ALA A 2 1.293 2.184 22.827 1.00 0.00 H new ATOM 0 HA ALA A 2 0.741 -0.558 22.205 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.628 0.417 20.405 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.942 1.209 21.967 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.065 2.021 20.745 1.00 0.00 H new ATOM 18 N MET A 3 3.097 -0.585 21.040 1.00 0.00 N ATOM 19 CA MET A 3 4.239 -0.855 20.182 1.00 0.00 C ATOM 20 C MET A 3 3.827 -1.623 18.936 1.00 0.00 C ATOM 21 O MET A 3 4.288 -1.338 17.827 1.00 0.00 O ATOM 22 CB MET A 3 5.284 -1.620 20.979 1.00 0.00 C ATOM 23 CG MET A 3 5.963 -0.654 21.962 1.00 0.00 C ATOM 24 SD MET A 3 7.009 -1.577 23.104 1.00 0.00 S ATOM 25 CE MET A 3 5.680 -2.060 24.237 1.00 0.00 C ATOM 0 H MET A 3 3.167 -1.026 21.957 1.00 0.00 H new ATOM 0 HA MET A 3 4.663 0.090 19.843 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.818 -2.443 21.520 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.024 -2.058 20.309 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.561 0.075 21.415 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.209 -0.095 22.516 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.924 -3.017 24.698 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.569 -1.302 25.012 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.745 -2.152 23.684 1.00 0.00 H new ATOM 35 N GLY A 4 2.939 -2.578 19.113 1.00 0.00 N ATOM 36 CA GLY A 4 2.441 -3.375 17.996 1.00 0.00 C ATOM 37 C GLY A 4 1.548 -2.551 17.071 1.00 0.00 C ATOM 38 O GLY A 4 0.573 -3.064 16.517 1.00 0.00 O ATOM 0 H GLY A 4 2.542 -2.827 20.019 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.282 -3.774 17.430 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.881 -4.228 18.378 1.00 0.00 H new ATOM 42 N SER A 5 1.862 -1.277 16.919 1.00 0.00 N ATOM 43 CA SER A 5 1.077 -0.382 16.072 1.00 0.00 C ATOM 44 C SER A 5 1.697 -0.235 14.687 1.00 0.00 C ATOM 45 O SER A 5 1.215 0.551 13.871 1.00 0.00 O ATOM 46 CB SER A 5 0.962 0.992 16.737 1.00 0.00 C ATOM 47 OG SER A 5 2.213 1.330 17.342 1.00 0.00 O ATOM 0 H SER A 5 2.660 -0.832 17.372 1.00 0.00 H new ATOM 0 HA SER A 5 0.085 -0.817 15.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.687 1.745 15.998 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.173 0.980 17.489 1.00 0.00 H new ATOM 0 HG SER A 5 2.288 0.882 18.210 1.00 0.00 H new ATOM 53 N GLY A 6 2.813 -0.914 14.461 1.00 0.00 N ATOM 54 CA GLY A 6 3.580 -0.736 13.230 1.00 0.00 C ATOM 55 C GLY A 6 2.709 -0.860 11.985 1.00 0.00 C ATOM 56 O GLY A 6 2.617 0.083 11.195 1.00 0.00 O ATOM 0 H GLY A 6 3.209 -1.593 15.111 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.058 0.243 13.240 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.376 -1.479 13.190 1.00 0.00 H new ATOM 60 N ASP A 7 2.041 -1.994 11.834 1.00 0.00 N ATOM 61 CA ASP A 7 1.178 -2.218 10.674 1.00 0.00 C ATOM 62 C ASP A 7 0.117 -1.146 10.591 1.00 0.00 C ATOM 63 O ASP A 7 -0.103 -0.545 9.540 1.00 0.00 O ATOM 64 CB ASP A 7 0.512 -3.608 10.746 1.00 0.00 C ATOM 65 CG ASP A 7 0.026 -3.918 12.157 1.00 0.00 C ATOM 66 OD1 ASP A 7 -0.620 -3.081 12.758 1.00 0.00 O ATOM 67 OD2 ASP A 7 0.309 -4.997 12.630 1.00 0.00 O ATOM 0 H ASP A 7 2.076 -2.772 12.493 1.00 0.00 H new ATOM 0 HA ASP A 7 1.799 -2.175 9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.328 -3.647 10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.223 -4.371 10.428 1.00 0.00 H new ATOM 72 N THR A 8 -0.495 -0.882 11.710 1.00 0.00 N ATOM 73 CA THR A 8 -1.522 0.118 11.809 1.00 0.00 C ATOM 74 C THR A 8 -0.952 1.480 11.447 1.00 0.00 C ATOM 75 O THR A 8 -1.492 2.194 10.586 1.00 0.00 O ATOM 76 CB THR A 8 -2.045 0.122 13.251 1.00 0.00 C ATOM 77 OG1 THR A 8 -2.345 -1.219 13.651 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.297 0.992 13.364 1.00 0.00 C ATOM 0 H THR A 8 -0.294 -1.359 12.589 1.00 0.00 H new ATOM 0 HA THR A 8 -2.337 -0.103 11.120 1.00 0.00 H new ATOM 0 HB THR A 8 -1.278 0.535 13.906 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.529 -1.761 13.616 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.654 0.983 14.394 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.057 2.014 13.072 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.073 0.599 12.707 1.00 0.00 H new ATOM 86 N GLN A 9 0.188 1.797 12.032 1.00 0.00 N ATOM 87 CA GLN A 9 0.864 3.039 11.738 1.00 0.00 C ATOM 88 C GLN A 9 1.278 3.084 10.290 1.00 0.00 C ATOM 89 O GLN A 9 0.989 4.047 9.581 1.00 0.00 O ATOM 90 CB GLN A 9 2.098 3.199 12.635 1.00 0.00 C ATOM 91 CG GLN A 9 1.772 4.136 13.797 1.00 0.00 C ATOM 92 CD GLN A 9 2.110 5.555 13.393 1.00 0.00 C ATOM 93 OE1 GLN A 9 3.251 5.989 13.559 1.00 0.00 O ATOM 94 NE2 GLN A 9 1.224 6.282 12.802 1.00 0.00 N ATOM 0 H GLN A 9 0.663 1.207 12.715 1.00 0.00 H new ATOM 0 HA GLN A 9 0.173 3.859 11.933 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.411 2.227 13.016 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.931 3.598 12.056 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.716 4.060 14.058 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.340 3.851 14.682 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.279 5.923 12.664 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.468 7.216 12.472 1.00 0.00 H new ATOM 103 N LEU A 10 1.915 2.029 9.830 1.00 0.00 N ATOM 104 CA LEU A 10 2.347 1.999 8.456 1.00 0.00 C ATOM 105 C LEU A 10 1.155 2.048 7.534 1.00 0.00 C ATOM 106 O LEU A 10 1.170 2.772 6.547 1.00 0.00 O ATOM 107 CB LEU A 10 3.226 0.789 8.144 1.00 0.00 C ATOM 108 CG LEU A 10 4.551 0.871 8.934 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.514 -0.188 8.427 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.192 2.260 8.812 1.00 0.00 C ATOM 0 H LEU A 10 2.140 1.198 10.377 1.00 0.00 H new ATOM 0 HA LEU A 10 2.963 2.883 8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.698 -0.129 8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.434 0.748 7.075 1.00 0.00 H new ATOM 0 HG LEU A 10 4.330 0.695 9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.448 -0.128 8.986 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.073 -1.176 8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.713 -0.022 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.122 2.283 9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.401 2.473 7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.508 3.012 9.206 1.00 0.00 H new ATOM 122 N PHE A 11 0.101 1.325 7.885 1.00 0.00 N ATOM 123 CA PHE A 11 -1.113 1.359 7.091 1.00 0.00 C ATOM 124 C PHE A 11 -1.650 2.773 7.009 1.00 0.00 C ATOM 125 O PHE A 11 -1.890 3.289 5.919 1.00 0.00 O ATOM 126 CB PHE A 11 -2.177 0.451 7.710 1.00 0.00 C ATOM 127 CG PHE A 11 -3.506 0.701 7.030 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.826 0.052 5.830 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.411 1.606 7.595 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.051 0.304 5.208 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.631 1.854 6.977 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.953 1.206 5.783 1.00 0.00 C ATOM 0 H PHE A 11 0.063 0.717 8.703 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.875 1.005 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.889 -0.594 7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.260 0.646 8.779 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.127 -0.642 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.161 2.114 8.515 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.302 -0.197 4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.330 2.548 7.420 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.900 1.401 5.302 1.00 0.00 H new ATOM 142 N ASN A 12 -1.784 3.416 8.157 1.00 0.00 N ATOM 143 CA ASN A 12 -2.286 4.789 8.200 1.00 0.00 C ATOM 144 C ASN A 12 -1.343 5.706 7.473 1.00 0.00 C ATOM 145 O ASN A 12 -1.754 6.540 6.657 1.00 0.00 O ATOM 146 CB ASN A 12 -2.422 5.256 9.643 1.00 0.00 C ATOM 147 CG ASN A 12 -3.565 4.526 10.322 1.00 0.00 C ATOM 148 OD1 ASN A 12 -3.344 3.888 11.423 1.00 0.00 O flip ATOM 149 ND2 ASN A 12 -4.691 4.511 9.811 1.00 0.00 N flip ATOM 0 H ASN A 12 -1.556 3.018 9.068 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.263 4.813 7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.492 5.073 10.182 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.600 6.331 9.670 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.863 5.016 8.941 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.448 3.994 10.259 1.00 0.00 H new ATOM 156 N ARG A 13 -0.066 5.502 7.721 1.00 0.00 N ATOM 157 CA ARG A 13 0.961 6.271 7.064 1.00 0.00 C ATOM 158 C ARG A 13 0.933 5.986 5.571 1.00 0.00 C ATOM 159 O ARG A 13 1.004 6.896 4.770 1.00 0.00 O ATOM 160 CB ARG A 13 2.309 5.857 7.656 1.00 0.00 C ATOM 161 CG ARG A 13 2.417 6.405 9.091 1.00 0.00 C ATOM 162 CD ARG A 13 3.647 5.808 9.777 1.00 0.00 C ATOM 163 NE ARG A 13 3.805 6.346 11.131 1.00 0.00 N ATOM 164 CZ ARG A 13 4.447 7.481 11.385 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.944 8.185 10.404 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.548 7.895 12.611 1.00 0.00 N ATOM 0 H ARG A 13 0.283 4.804 8.378 1.00 0.00 H new ATOM 0 HA ARG A 13 0.799 7.338 7.214 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.401 4.771 7.660 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.124 6.243 7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.491 7.492 9.071 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.518 6.157 9.654 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.552 4.723 9.822 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.538 6.026 9.189 1.00 0.00 H new ATOM 0 HE ARG A 13 3.405 5.827 11.912 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.839 7.864 9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.437 9.056 10.600 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.136 7.350 13.369 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.039 8.765 12.817 1.00 0.00 H new ATOM 180 N ALA A 14 0.795 4.727 5.207 1.00 0.00 N ATOM 181 CA ALA A 14 0.753 4.341 3.800 1.00 0.00 C ATOM 182 C ALA A 14 -0.546 4.770 3.128 1.00 0.00 C ATOM 183 O ALA A 14 -0.528 5.330 2.032 1.00 0.00 O ATOM 184 CB ALA A 14 0.952 2.830 3.644 1.00 0.00 C ATOM 0 H ALA A 14 0.710 3.949 5.862 1.00 0.00 H new ATOM 0 HA ALA A 14 1.572 4.861 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.917 2.566 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.920 2.546 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.161 2.302 4.177 1.00 0.00 H new ATOM 190 N VAL A 15 -1.674 4.438 3.750 1.00 0.00 N ATOM 191 CA VAL A 15 -2.976 4.713 3.156 1.00 0.00 C ATOM 192 C VAL A 15 -3.214 6.211 2.982 1.00 0.00 C ATOM 193 O VAL A 15 -3.687 6.662 1.934 1.00 0.00 O ATOM 194 CB VAL A 15 -4.111 4.052 3.973 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.500 4.923 5.171 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.339 3.836 3.084 1.00 0.00 C ATOM 0 H VAL A 15 -1.712 3.980 4.661 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.981 4.270 2.160 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.749 3.091 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.300 4.437 5.730 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.634 5.058 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.843 5.895 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.133 3.370 3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.685 4.796 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.074 3.187 2.249 1.00 0.00 H new ATOM 206 N SER A 16 -2.849 6.990 3.986 1.00 0.00 N ATOM 207 CA SER A 16 -3.065 8.412 3.911 1.00 0.00 C ATOM 208 C SER A 16 -2.340 9.005 2.729 1.00 0.00 C ATOM 209 O SER A 16 -2.884 9.826 1.994 1.00 0.00 O ATOM 210 CB SER A 16 -2.571 9.083 5.190 1.00 0.00 C ATOM 211 OG SER A 16 -1.255 8.609 5.518 1.00 0.00 O ATOM 0 H SER A 16 -2.409 6.663 4.846 1.00 0.00 H new ATOM 0 HA SER A 16 -4.135 8.585 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.554 10.165 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.257 8.871 6.010 1.00 0.00 H new ATOM 0 HG SER A 16 -1.311 7.980 6.267 1.00 0.00 H new ATOM 217 N MET A 17 -1.102 8.620 2.567 1.00 0.00 N ATOM 218 CA MET A 17 -0.308 9.212 1.528 1.00 0.00 C ATOM 219 C MET A 17 -0.883 8.864 0.161 1.00 0.00 C ATOM 220 O MET A 17 -0.990 9.740 -0.710 1.00 0.00 O ATOM 221 CB MET A 17 1.148 8.765 1.656 1.00 0.00 C ATOM 222 CG MET A 17 1.705 9.269 2.991 1.00 0.00 C ATOM 223 SD MET A 17 3.515 9.060 3.009 1.00 0.00 S ATOM 224 CE MET A 17 3.568 7.258 3.223 1.00 0.00 C ATOM 0 H MET A 17 -0.630 7.913 3.130 1.00 0.00 H new ATOM 0 HA MET A 17 -0.334 10.297 1.632 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.215 7.678 1.606 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.738 9.159 0.828 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.448 10.319 3.132 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.256 8.717 3.817 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.523 6.876 2.860 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.457 7.014 4.279 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.756 6.800 2.658 1.00 0.00 H new ATOM 234 N VAL A 18 -1.294 7.614 -0.020 1.00 0.00 N ATOM 235 CA VAL A 18 -1.891 7.200 -1.275 1.00 0.00 C ATOM 236 C VAL A 18 -3.271 7.822 -1.492 1.00 0.00 C ATOM 237 O VAL A 18 -3.574 8.300 -2.586 1.00 0.00 O ATOM 238 CB VAL A 18 -1.939 5.675 -1.408 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.513 5.117 -1.370 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.744 5.066 -0.263 1.00 0.00 C ATOM 0 H VAL A 18 -1.224 6.878 0.683 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.242 7.577 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.416 5.420 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.544 4.032 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.064 5.536 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.042 5.385 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.769 3.982 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.277 5.325 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.762 5.456 -0.286 1.00 0.00 H new ATOM 250 N GLU A 19 -4.097 7.837 -0.450 1.00 0.00 N ATOM 251 CA GLU A 19 -5.445 8.390 -0.575 1.00 0.00 C ATOM 252 C GLU A 19 -5.376 9.866 -0.897 1.00 0.00 C ATOM 253 O GLU A 19 -6.315 10.434 -1.473 1.00 0.00 O ATOM 254 CB GLU A 19 -6.260 8.208 0.710 1.00 0.00 C ATOM 255 CG GLU A 19 -6.575 6.726 0.965 1.00 0.00 C ATOM 256 CD GLU A 19 -7.401 6.581 2.237 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.694 7.590 2.864 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.745 5.475 2.568 1.00 0.00 O ATOM 0 H GLU A 19 -3.864 7.479 0.476 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.939 7.847 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.706 8.615 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.190 8.772 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.121 6.311 0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.649 6.159 1.056 1.00 0.00 H new ATOM 265 N LYS A 20 -4.387 10.530 -0.332 1.00 0.00 N ATOM 266 CA LYS A 20 -4.310 11.971 -0.431 1.00 0.00 C ATOM 267 C LYS A 20 -3.374 12.421 -1.560 1.00 0.00 C ATOM 268 O LYS A 20 -3.270 13.611 -1.836 1.00 0.00 O ATOM 269 CB LYS A 20 -3.923 12.581 0.924 1.00 0.00 C ATOM 270 CG LYS A 20 -4.838 11.976 2.019 1.00 0.00 C ATOM 271 CD LYS A 20 -6.326 12.246 1.723 1.00 0.00 C ATOM 272 CE LYS A 20 -7.185 11.243 2.513 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.266 11.649 3.943 1.00 0.00 N ATOM 0 H LYS A 20 -3.630 10.096 0.197 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.300 12.345 -0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.877 12.372 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.033 13.665 0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.668 10.901 2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.576 12.399 2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.586 13.267 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.521 12.149 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.186 11.194 2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.755 10.244 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.848 10.964 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.310 11.674 4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.696 12.593 4.012 1.00 0.00 H new ATOM 287 N ASN A 21 -2.785 11.460 -2.284 1.00 0.00 N ATOM 288 CA ASN A 21 -1.965 11.791 -3.465 1.00 0.00 C ATOM 289 C ASN A 21 -2.866 12.040 -4.664 1.00 0.00 C ATOM 290 O ASN A 21 -3.629 11.165 -5.065 1.00 0.00 O ATOM 291 CB ASN A 21 -0.970 10.669 -3.793 1.00 0.00 C ATOM 292 CG ASN A 21 -0.035 11.135 -4.909 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.503 11.639 -5.926 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.248 11.025 -4.775 1.00 0.00 N ATOM 0 H ASN A 21 -2.856 10.463 -2.081 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.396 12.692 -3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.394 10.407 -2.906 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.505 9.771 -4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.868 11.357 -5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.639 10.607 -3.931 1.00 0.00 H new ATOM 301 N LYS A 22 -2.801 13.245 -5.209 1.00 0.00 N ATOM 302 CA LYS A 22 -3.672 13.645 -6.301 1.00 0.00 C ATOM 303 C LYS A 22 -3.605 12.667 -7.447 1.00 0.00 C ATOM 304 O LYS A 22 -4.627 12.343 -8.061 1.00 0.00 O ATOM 305 CB LYS A 22 -3.322 15.065 -6.792 1.00 0.00 C ATOM 306 CG LYS A 22 -1.950 15.090 -7.509 1.00 0.00 C ATOM 307 CD LYS A 22 -0.831 14.821 -6.501 1.00 0.00 C ATOM 308 CE LYS A 22 0.518 15.284 -7.068 1.00 0.00 C ATOM 309 NZ LYS A 22 0.804 14.613 -8.368 1.00 0.00 N ATOM 0 H LYS A 22 -2.147 13.968 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.693 13.649 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.097 15.418 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.305 15.751 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.929 14.339 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.797 16.058 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.040 15.344 -5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.790 13.757 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.508 16.365 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.313 15.061 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.410 15.226 -8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.291 13.711 -8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.089 14.433 -8.870 1.00 0.00 H new ATOM 323 N ASP A 23 -2.403 12.214 -7.747 1.00 0.00 N ATOM 324 CA ASP A 23 -2.199 11.300 -8.840 1.00 0.00 C ATOM 325 C ASP A 23 -2.957 10.021 -8.576 1.00 0.00 C ATOM 326 O ASP A 23 -3.785 9.593 -9.380 1.00 0.00 O ATOM 327 CB ASP A 23 -0.704 10.979 -8.934 1.00 0.00 C ATOM 328 CG ASP A 23 0.092 12.146 -9.483 1.00 0.00 C ATOM 329 OD1 ASP A 23 -0.503 13.123 -9.886 1.00 0.00 O ATOM 330 OD2 ASP A 23 1.300 12.062 -9.477 1.00 0.00 O ATOM 0 H ASP A 23 -1.553 12.469 -7.243 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.552 11.748 -9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.327 10.715 -7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.559 10.108 -9.573 1.00 0.00 H new ATOM 335 N ILE A 24 -2.772 9.496 -7.384 1.00 0.00 N ATOM 336 CA ILE A 24 -3.508 8.333 -6.948 1.00 0.00 C ATOM 337 C ILE A 24 -4.987 8.659 -6.853 1.00 0.00 C ATOM 338 O ILE A 24 -5.827 7.889 -7.305 1.00 0.00 O ATOM 339 CB ILE A 24 -2.951 7.772 -5.635 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.551 7.203 -5.890 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.858 6.646 -5.140 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.852 6.923 -4.563 1.00 0.00 C ATOM 0 H ILE A 24 -2.113 9.861 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.386 7.545 -7.691 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.905 8.565 -4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.623 6.285 -6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.964 7.909 -6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.464 6.245 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.862 7.035 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.895 5.854 -5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.142 6.519 -4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.764 7.849 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.434 6.200 -3.991 1.00 0.00 H new ATOM 354 N ARG A 25 -5.303 9.827 -6.309 1.00 0.00 N ATOM 355 CA ARG A 25 -6.687 10.228 -6.186 1.00 0.00 C ATOM 356 C ARG A 25 -7.337 10.256 -7.549 1.00 0.00 C ATOM 357 O ARG A 25 -8.422 9.707 -7.735 1.00 0.00 O ATOM 358 CB ARG A 25 -6.792 11.599 -5.531 1.00 0.00 C ATOM 359 CG ARG A 25 -6.432 11.475 -4.057 1.00 0.00 C ATOM 360 CD ARG A 25 -6.510 12.839 -3.368 1.00 0.00 C ATOM 361 NE ARG A 25 -7.890 13.316 -3.328 1.00 0.00 N ATOM 362 CZ ARG A 25 -8.760 12.846 -2.432 1.00 0.00 C ATOM 363 NH1 ARG A 25 -8.418 11.846 -1.651 1.00 0.00 N ATOM 364 NH2 ARG A 25 -9.953 13.357 -2.353 1.00 0.00 N ATOM 0 H ARG A 25 -4.626 10.501 -5.952 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.204 9.504 -5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.122 12.304 -6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.803 11.991 -5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.110 10.775 -3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.426 11.067 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.116 12.764 -2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.886 13.557 -3.900 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.195 14.022 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.490 11.431 -1.731 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.081 11.485 -0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.224 14.118 -2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.618 12.997 -1.668 1.00 0.00 H new ATOM 378 N SER A 26 -6.625 10.777 -8.517 1.00 0.00 N ATOM 379 CA SER A 26 -7.090 10.734 -9.877 1.00 0.00 C ATOM 380 C SER A 26 -7.264 9.283 -10.321 1.00 0.00 C ATOM 381 O SER A 26 -8.298 8.922 -10.888 1.00 0.00 O ATOM 382 CB SER A 26 -6.118 11.468 -10.776 1.00 0.00 C ATOM 383 OG SER A 26 -6.214 12.871 -10.530 1.00 0.00 O ATOM 0 H SER A 26 -5.723 11.235 -8.387 1.00 0.00 H new ATOM 0 HA SER A 26 -8.059 11.229 -9.947 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.101 11.123 -10.589 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.340 11.255 -11.822 1.00 0.00 H new ATOM 0 HG SER A 26 -5.749 13.089 -9.695 1.00 0.00 H new ATOM 389 N LEU A 27 -6.304 8.432 -9.961 1.00 0.00 N ATOM 390 CA LEU A 27 -6.412 7.002 -10.252 1.00 0.00 C ATOM 391 C LEU A 27 -7.610 6.422 -9.510 1.00 0.00 C ATOM 392 O LEU A 27 -8.401 5.662 -10.076 1.00 0.00 O ATOM 393 CB LEU A 27 -5.137 6.257 -9.832 1.00 0.00 C ATOM 394 CG LEU A 27 -3.955 6.687 -10.715 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.663 6.054 -10.202 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.198 6.242 -12.153 1.00 0.00 C ATOM 0 H LEU A 27 -5.451 8.703 -9.472 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.544 6.877 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.913 6.465 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.291 5.181 -9.917 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.864 7.773 -10.679 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.830 6.364 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.481 6.378 -9.177 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.754 4.968 -10.229 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.358 6.549 -12.776 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.297 5.157 -12.186 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.113 6.702 -12.526 1.00 0.00 H new ATOM 408 N LEU A 28 -7.782 6.861 -8.269 1.00 0.00 N ATOM 409 CA LEU A 28 -8.909 6.446 -7.447 1.00 0.00 C ATOM 410 C LEU A 28 -10.164 7.185 -7.900 1.00 0.00 C ATOM 411 O LEU A 28 -11.220 7.103 -7.259 1.00 0.00 O ATOM 412 CB LEU A 28 -8.644 6.736 -5.948 1.00 0.00 C ATOM 413 CG LEU A 28 -7.416 5.955 -5.434 1.00 0.00 C ATOM 414 CD1 LEU A 28 -7.159 6.326 -3.965 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.659 4.443 -5.534 1.00 0.00 C ATOM 0 H LEU A 28 -7.147 7.512 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.047 5.371 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.484 7.805 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.522 6.464 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.553 6.216 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.292 5.777 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.970 7.397 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.033 6.068 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.783 3.909 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.527 4.173 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.840 4.172 -6.574 1.00 0.00 H new ATOM 427 N GLN A 29 -10.034 7.959 -8.966 1.00 0.00 N ATOM 428 CA GLN A 29 -11.145 8.737 -9.488 1.00 0.00 C ATOM 429 C GLN A 29 -11.706 9.620 -8.384 1.00 0.00 C ATOM 430 O GLN A 29 -12.918 9.846 -8.307 1.00 0.00 O ATOM 431 CB GLN A 29 -12.250 7.802 -10.014 1.00 0.00 C ATOM 432 CG GLN A 29 -11.635 6.660 -10.843 1.00 0.00 C ATOM 433 CD GLN A 29 -10.786 7.207 -11.974 1.00 0.00 C ATOM 434 OE1 GLN A 29 -11.253 8.039 -12.766 1.00 0.00 O ATOM 435 NE2 GLN A 29 -9.566 6.807 -12.100 1.00 0.00 N ATOM 0 H GLN A 29 -9.165 8.065 -9.489 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.789 9.358 -10.310 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.815 7.390 -9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.953 8.367 -10.626 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.025 6.026 -10.199 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.428 6.033 -11.249 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.184 6.123 -11.447 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.984 7.175 -12.852 1.00 0.00 H new ATOM 444 N CYS A 30 -10.834 10.041 -7.482 1.00 0.00 N ATOM 445 CA CYS A 30 -11.247 10.821 -6.329 1.00 0.00 C ATOM 446 C CYS A 30 -11.849 12.143 -6.757 1.00 0.00 C ATOM 447 O CYS A 30 -11.205 13.195 -6.686 1.00 0.00 O ATOM 448 CB CYS A 30 -10.079 11.041 -5.359 1.00 0.00 C ATOM 449 SG CYS A 30 -10.578 10.560 -3.689 1.00 0.00 S ATOM 0 H CYS A 30 -9.832 9.854 -7.528 1.00 0.00 H new ATOM 0 HA CYS A 30 -12.015 10.254 -5.803 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.216 10.455 -5.674 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.775 12.088 -5.371 1.00 0.00 H new ATOM 0 HG CYS A 30 -11.444 11.415 -3.231 1.00 0.00 H new ATOM 455 N ASP A 31 -13.077 12.081 -7.227 1.00 0.00 N ATOM 456 CA ASP A 31 -13.813 13.258 -7.652 1.00 0.00 C ATOM 457 C ASP A 31 -15.257 13.125 -7.210 1.00 0.00 C ATOM 458 O ASP A 31 -16.062 12.452 -7.864 1.00 0.00 O ATOM 459 CB ASP A 31 -13.749 13.419 -9.170 1.00 0.00 C ATOM 460 CG ASP A 31 -14.115 14.834 -9.550 1.00 0.00 C ATOM 461 OD1 ASP A 31 -13.341 15.722 -9.255 1.00 0.00 O ATOM 462 OD2 ASP A 31 -15.157 15.021 -10.125 1.00 0.00 O ATOM 0 H ASP A 31 -13.597 11.209 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.364 14.141 -7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.747 13.184 -9.528 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.431 12.716 -9.649 1.00 0.00 H new ATOM 467 N ASP A 32 -15.550 13.666 -6.042 1.00 0.00 N ATOM 468 CA ASP A 32 -16.868 13.545 -5.427 1.00 0.00 C ATOM 469 C ASP A 32 -17.864 14.495 -6.068 1.00 0.00 C ATOM 470 O ASP A 32 -17.481 15.531 -6.619 1.00 0.00 O ATOM 471 CB ASP A 32 -16.787 13.813 -3.915 1.00 0.00 C ATOM 472 CG ASP A 32 -16.377 12.565 -3.169 1.00 0.00 C ATOM 473 OD1 ASP A 32 -16.967 11.541 -3.402 1.00 0.00 O ATOM 474 OD2 ASP A 32 -15.456 12.646 -2.382 1.00 0.00 O ATOM 0 H ASP A 32 -14.883 14.203 -5.488 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.215 12.524 -5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.070 14.610 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.754 14.159 -3.550 1.00 0.00 H new ATOM 479 N GLY A 33 -19.132 14.153 -5.975 1.00 0.00 N ATOM 480 CA GLY A 33 -20.205 14.991 -6.495 1.00 0.00 C ATOM 481 C GLY A 33 -20.786 14.420 -7.775 1.00 0.00 C ATOM 482 O GLY A 33 -21.957 14.035 -7.817 1.00 0.00 O ATOM 0 H GLY A 33 -19.453 13.289 -5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.992 15.083 -5.746 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.825 15.995 -6.683 1.00 0.00 H new ATOM 486 N ILE A 34 -19.961 14.317 -8.804 1.00 0.00 N ATOM 487 CA ILE A 34 -20.410 13.790 -10.087 1.00 0.00 C ATOM 488 C ILE A 34 -21.000 12.399 -9.916 1.00 0.00 C ATOM 489 O ILE A 34 -21.932 12.017 -10.625 1.00 0.00 O ATOM 490 CB ILE A 34 -19.237 13.772 -11.092 1.00 0.00 C ATOM 491 CG1 ILE A 34 -19.681 13.159 -12.427 1.00 0.00 C ATOM 492 CG2 ILE A 34 -18.051 12.982 -10.525 1.00 0.00 C ATOM 493 CD1 ILE A 34 -20.788 14.011 -13.054 1.00 0.00 C ATOM 0 H ILE A 34 -18.979 14.590 -8.779 1.00 0.00 H new ATOM 0 HA ILE A 34 -21.192 14.440 -10.480 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.923 14.802 -11.263 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -18.832 13.095 -13.107 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.040 12.142 -12.268 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.235 12.981 -11.248 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.714 13.447 -9.598 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.360 11.956 -10.325 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -21.096 13.568 -14.001 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.642 14.053 -12.378 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.415 15.020 -13.230 1.00 0.00 H new ATOM 505 N THR A 35 -20.466 11.668 -8.962 1.00 0.00 N ATOM 506 CA THR A 35 -20.926 10.328 -8.648 1.00 0.00 C ATOM 507 C THR A 35 -21.493 10.316 -7.228 1.00 0.00 C ATOM 508 O THR A 35 -21.241 9.383 -6.456 1.00 0.00 O ATOM 509 CB THR A 35 -19.734 9.333 -8.821 1.00 0.00 C ATOM 510 OG1 THR A 35 -19.813 8.238 -7.912 1.00 0.00 O ATOM 511 CG2 THR A 35 -18.404 10.062 -8.599 1.00 0.00 C ATOM 0 H THR A 35 -19.694 11.987 -8.376 1.00 0.00 H new ATOM 0 HA THR A 35 -21.722 10.015 -9.323 1.00 0.00 H new ATOM 0 HB THR A 35 -19.790 8.942 -9.837 1.00 0.00 H new ATOM 0 HG1 THR A 35 -19.983 8.575 -7.008 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.579 9.360 -8.722 1.00 0.00 H new ATOM 0 HG22 THR A 35 -18.305 10.868 -9.326 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.380 10.477 -7.591 1.00 0.00 H new ATOM 519 N GLY A 36 -22.078 11.441 -6.821 1.00 0.00 N ATOM 520 CA GLY A 36 -22.450 11.608 -5.437 1.00 0.00 C ATOM 521 C GLY A 36 -21.173 11.768 -4.666 1.00 0.00 C ATOM 522 O GLY A 36 -20.147 12.130 -5.260 1.00 0.00 O ATOM 0 H GLY A 36 -22.297 12.232 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -23.091 12.481 -5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -23.012 10.745 -5.080 1.00 0.00 H new ATOM 526 N LYS A 37 -21.160 11.366 -3.422 1.00 0.00 N ATOM 527 CA LYS A 37 -19.909 11.349 -2.708 1.00 0.00 C ATOM 528 C LYS A 37 -19.544 9.933 -2.343 1.00 0.00 C ATOM 529 O LYS A 37 -20.223 9.295 -1.526 1.00 0.00 O ATOM 530 CB LYS A 37 -19.993 12.217 -1.459 1.00 0.00 C ATOM 531 CG LYS A 37 -20.064 13.694 -1.870 1.00 0.00 C ATOM 532 CD LYS A 37 -21.515 14.086 -2.181 1.00 0.00 C ATOM 533 CE LYS A 37 -22.398 13.865 -0.948 1.00 0.00 C ATOM 534 NZ LYS A 37 -21.724 14.416 0.264 1.00 0.00 N ATOM 0 H LYS A 37 -21.975 11.054 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.132 11.757 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -20.873 11.948 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.123 12.046 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.673 14.322 -1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.437 13.867 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.560 15.131 -2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.889 13.493 -3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -23.364 14.350 -1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -22.592 12.801 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.430 14.576 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -21.010 13.740 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -21.262 15.317 0.025 1.00 0.00 H new ATOM 548 N GLU A 38 -18.417 9.483 -2.851 1.00 0.00 N ATOM 549 CA GLU A 38 -17.903 8.182 -2.513 1.00 0.00 C ATOM 550 C GLU A 38 -17.024 8.232 -1.303 1.00 0.00 C ATOM 551 O GLU A 38 -16.230 9.162 -1.131 1.00 0.00 O ATOM 552 CB GLU A 38 -17.193 7.509 -3.684 1.00 0.00 C ATOM 553 CG GLU A 38 -18.221 6.772 -4.537 1.00 0.00 C ATOM 554 CD GLU A 38 -18.856 5.647 -3.731 1.00 0.00 C ATOM 555 OE1 GLU A 38 -18.201 5.114 -2.852 1.00 0.00 O ATOM 556 OE2 GLU A 38 -19.988 5.332 -3.997 1.00 0.00 O ATOM 0 H GLU A 38 -17.837 10.008 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.768 7.564 -2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.671 8.254 -4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.440 6.811 -3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.990 7.467 -4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -17.743 6.367 -5.428 1.00 0.00 H new ATOM 563 N ARG A 39 -17.100 7.192 -0.526 1.00 0.00 N ATOM 564 CA ARG A 39 -16.273 7.052 0.646 1.00 0.00 C ATOM 565 C ARG A 39 -15.223 6.000 0.381 1.00 0.00 C ATOM 566 O ARG A 39 -15.551 4.869 0.024 1.00 0.00 O ATOM 567 CB ARG A 39 -17.140 6.662 1.851 1.00 0.00 C ATOM 568 CG ARG A 39 -18.181 7.767 2.100 1.00 0.00 C ATOM 569 CD ARG A 39 -19.443 7.478 1.286 1.00 0.00 C ATOM 570 NE ARG A 39 -20.384 8.597 1.366 1.00 0.00 N ATOM 571 CZ ARG A 39 -21.243 8.740 2.381 1.00 0.00 C ATOM 572 NH1 ARG A 39 -21.233 7.887 3.366 1.00 0.00 N ATOM 573 NH2 ARG A 39 -22.083 9.737 2.383 1.00 0.00 N ATOM 0 H ARG A 39 -17.738 6.412 -0.684 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.782 7.998 0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.638 5.711 1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.517 6.526 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -18.425 7.818 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -17.770 8.737 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -19.175 7.296 0.245 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -19.919 6.570 1.656 1.00 0.00 H new ATOM 0 HE ARG A 39 -20.384 9.293 0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -20.571 7.111 3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -21.888 7.995 4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -22.084 10.405 1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -22.740 9.849 3.155 1.00 0.00 H new ATOM 587 N LEU A 40 -13.967 6.387 0.478 1.00 0.00 N ATOM 588 CA LEU A 40 -12.876 5.477 0.170 1.00 0.00 C ATOM 589 C LEU A 40 -12.696 4.489 1.296 1.00 0.00 C ATOM 590 O LEU A 40 -12.845 4.846 2.479 1.00 0.00 O ATOM 591 CB LEU A 40 -11.572 6.247 -0.066 1.00 0.00 C ATOM 592 CG LEU A 40 -11.684 7.070 -1.361 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.447 8.374 -1.082 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.280 7.397 -1.883 1.00 0.00 C ATOM 0 H LEU A 40 -13.675 7.321 0.766 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.126 4.939 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.369 6.905 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.735 5.552 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.224 6.491 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.524 8.954 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.447 8.139 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.912 8.955 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.360 7.980 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.738 7.973 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.743 6.471 -2.087 1.00 0.00 H new ATOM 606 N LYS A 41 -12.406 3.257 0.942 1.00 0.00 N ATOM 607 CA LYS A 41 -12.194 2.204 1.921 1.00 0.00 C ATOM 608 C LYS A 41 -10.892 1.506 1.657 1.00 0.00 C ATOM 609 O LYS A 41 -10.543 1.269 0.511 1.00 0.00 O ATOM 610 CB LYS A 41 -13.347 1.193 1.893 1.00 0.00 C ATOM 611 CG LYS A 41 -14.599 1.813 2.517 1.00 0.00 C ATOM 612 CD LYS A 41 -14.637 1.484 4.020 1.00 0.00 C ATOM 613 CE LYS A 41 -13.783 2.490 4.815 1.00 0.00 C ATOM 614 NZ LYS A 41 -14.018 3.873 4.312 1.00 0.00 N ATOM 0 H LYS A 41 -12.310 2.953 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.160 2.660 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.553 0.892 0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.066 0.292 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.595 2.893 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.493 1.427 2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.666 1.509 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.267 0.472 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.033 2.433 5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.727 2.236 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.854 4.554 5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.365 4.073 3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.999 3.958 3.977 1.00 0.00 H new ATOM 628 N ALA A 42 -10.212 1.115 2.717 1.00 0.00 N ATOM 629 CA ALA A 42 -8.975 0.373 2.602 1.00 0.00 C ATOM 630 C ALA A 42 -9.017 -0.846 3.505 1.00 0.00 C ATOM 631 O ALA A 42 -9.493 -0.761 4.644 1.00 0.00 O ATOM 632 CB ALA A 42 -7.781 1.262 2.945 1.00 0.00 C ATOM 0 H ALA A 42 -10.501 1.302 3.677 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.859 0.039 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.860 0.686 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.749 2.109 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.880 1.626 3.968 1.00 0.00 H new ATOM 638 N TYR A 43 -8.634 -1.994 2.965 1.00 0.00 N ATOM 639 CA TYR A 43 -8.733 -3.257 3.684 1.00 0.00 C ATOM 640 C TYR A 43 -7.761 -4.310 3.160 1.00 0.00 C ATOM 641 O TYR A 43 -7.188 -4.164 2.074 1.00 0.00 O ATOM 642 CB TYR A 43 -10.171 -3.797 3.652 1.00 0.00 C ATOM 643 CG TYR A 43 -10.758 -3.676 2.251 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.252 -4.453 1.204 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.825 -2.800 2.013 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.800 -4.359 -0.070 1.00 0.00 C ATOM 647 CE2 TYR A 43 -12.375 -2.701 0.730 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.859 -3.487 -0.314 1.00 0.00 C ATOM 649 OH TYR A 43 -12.404 -3.413 -1.579 1.00 0.00 O ATOM 0 H TYR A 43 -8.249 -2.077 2.024 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.455 -3.047 4.717 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.181 -4.840 3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.789 -3.244 4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.431 -5.130 1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -12.223 -2.201 2.819 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.404 -4.963 -0.873 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -13.194 -2.022 0.543 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.382 -3.422 -1.515 1.00 0.00 H new ATOM 659 N GLY A 44 -7.635 -5.404 3.900 1.00 0.00 N ATOM 660 CA GLY A 44 -6.833 -6.526 3.464 1.00 0.00 C ATOM 661 C GLY A 44 -7.443 -7.113 2.196 1.00 0.00 C ATOM 662 O GLY A 44 -8.625 -6.928 1.945 1.00 0.00 O ATOM 0 H GLY A 44 -8.082 -5.533 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.809 -6.205 3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.790 -7.284 4.246 1.00 0.00 H new ATOM 666 N GLU A 45 -6.639 -7.805 1.420 1.00 0.00 N ATOM 667 CA GLU A 45 -7.062 -8.423 0.159 1.00 0.00 C ATOM 668 C GLU A 45 -8.577 -8.624 0.085 1.00 0.00 C ATOM 669 O GLU A 45 -9.147 -9.480 0.775 1.00 0.00 O ATOM 670 CB GLU A 45 -6.351 -9.764 0.013 1.00 0.00 C ATOM 671 CG GLU A 45 -5.089 -9.615 -0.868 1.00 0.00 C ATOM 672 CD GLU A 45 -3.999 -8.809 -0.164 1.00 0.00 C ATOM 673 OE1 GLU A 45 -4.243 -8.316 0.915 1.00 0.00 O ATOM 674 OE2 GLU A 45 -2.927 -8.706 -0.717 1.00 0.00 O ATOM 0 H GLU A 45 -5.656 -7.963 1.640 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.794 -7.751 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.073 -10.144 0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.027 -10.494 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.704 -10.603 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.355 -9.126 -1.805 1.00 0.00 H new ATOM 681 N LEU A 46 -9.194 -7.825 -0.786 1.00 0.00 N ATOM 682 CA LEU A 46 -10.642 -7.789 -1.010 1.00 0.00 C ATOM 683 C LEU A 46 -11.258 -9.179 -1.160 1.00 0.00 C ATOM 684 O LEU A 46 -12.479 -9.336 -1.046 1.00 0.00 O ATOM 685 CB LEU A 46 -10.954 -6.913 -2.251 1.00 0.00 C ATOM 686 CG LEU A 46 -11.200 -7.771 -3.504 1.00 0.00 C ATOM 687 CD1 LEU A 46 -11.581 -6.859 -4.660 1.00 0.00 C ATOM 688 CD2 LEU A 46 -9.927 -8.552 -3.875 1.00 0.00 C ATOM 0 H LEU A 46 -8.686 -7.164 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.098 -7.349 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.832 -6.299 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.123 -6.231 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.003 -8.479 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.757 -7.458 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.488 -6.310 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.771 -6.155 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.116 -9.155 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.116 -7.852 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.646 -9.204 -3.048 1.00 0.00 H new ATOM 700 N ILE A 47 -10.453 -10.132 -1.587 1.00 0.00 N ATOM 701 CA ILE A 47 -10.932 -11.473 -1.881 1.00 0.00 C ATOM 702 C ILE A 47 -11.252 -12.272 -0.612 1.00 0.00 C ATOM 703 O ILE A 47 -12.361 -12.816 -0.454 1.00 0.00 O ATOM 704 CB ILE A 47 -9.912 -12.226 -2.755 1.00 0.00 C ATOM 705 CG1 ILE A 47 -10.358 -13.683 -2.954 1.00 0.00 C ATOM 706 CG2 ILE A 47 -8.522 -12.193 -2.109 1.00 0.00 C ATOM 707 CD1 ILE A 47 -9.398 -14.377 -3.907 1.00 0.00 C ATOM 0 H ILE A 47 -9.453 -10.002 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.866 -11.368 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.860 -11.732 -3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.378 -14.203 -1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.371 -13.714 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.814 -12.730 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.197 -11.159 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.565 -12.667 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.712 -15.411 -4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.401 -13.860 -4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.392 -14.358 -3.488 1.00 0.00 H new ATOM 719 N THR A 48 -10.243 -12.470 0.215 1.00 0.00 N ATOM 720 CA THR A 48 -10.373 -13.344 1.362 1.00 0.00 C ATOM 721 C THR A 48 -10.255 -12.599 2.691 1.00 0.00 C ATOM 722 O THR A 48 -11.187 -12.604 3.500 1.00 0.00 O ATOM 723 CB THR A 48 -9.361 -14.518 1.252 1.00 0.00 C ATOM 724 OG1 THR A 48 -9.733 -15.589 2.099 1.00 0.00 O ATOM 725 CG2 THR A 48 -7.931 -14.061 1.567 1.00 0.00 C ATOM 0 H THR A 48 -9.325 -12.037 0.113 1.00 0.00 H new ATOM 0 HA THR A 48 -11.381 -13.758 1.354 1.00 0.00 H new ATOM 0 HB THR A 48 -9.382 -14.868 0.220 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.082 -16.317 2.011 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.251 -14.908 1.480 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.634 -13.284 0.863 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.891 -13.666 2.582 1.00 0.00 H new ATOM 733 N ASN A 49 -9.099 -12.000 2.943 1.00 0.00 N ATOM 734 CA ASN A 49 -8.870 -11.333 4.211 1.00 0.00 C ATOM 735 C ASN A 49 -9.750 -10.125 4.407 1.00 0.00 C ATOM 736 O ASN A 49 -10.081 -9.788 5.543 1.00 0.00 O ATOM 737 CB ASN A 49 -7.410 -11.014 4.467 1.00 0.00 C ATOM 738 CG ASN A 49 -7.316 -10.250 5.771 1.00 0.00 C ATOM 739 OD1 ASN A 49 -7.489 -9.035 5.788 1.00 0.00 O ATOM 740 ND2 ASN A 49 -7.075 -10.891 6.872 1.00 0.00 N ATOM 0 H ASN A 49 -8.315 -11.964 2.292 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.162 -12.060 4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.824 -11.931 4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.001 -10.422 3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.029 -10.386 7.757 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.932 -11.901 6.853 1.00 0.00 H new ATOM 747 N ASP A 50 -10.143 -9.482 3.305 1.00 0.00 N ATOM 748 CA ASP A 50 -11.031 -8.313 3.375 1.00 0.00 C ATOM 749 C ASP A 50 -12.055 -8.525 4.460 1.00 0.00 C ATOM 750 O ASP A 50 -12.487 -7.587 5.142 1.00 0.00 O ATOM 751 CB ASP A 50 -11.778 -8.140 2.041 1.00 0.00 C ATOM 752 CG ASP A 50 -13.040 -9.014 1.987 1.00 0.00 C ATOM 753 OD1 ASP A 50 -14.072 -8.571 2.467 1.00 0.00 O ATOM 754 OD2 ASP A 50 -12.964 -10.107 1.458 1.00 0.00 O ATOM 0 H ASP A 50 -9.865 -9.746 2.360 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.429 -7.429 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.053 -7.093 1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.117 -8.402 1.215 1.00 0.00 H new ATOM 759 N LYS A 51 -12.469 -9.762 4.565 1.00 0.00 N ATOM 760 CA LYS A 51 -13.478 -10.183 5.489 1.00 0.00 C ATOM 761 C LYS A 51 -13.003 -9.967 6.917 1.00 0.00 C ATOM 762 O LYS A 51 -13.112 -8.859 7.451 1.00 0.00 O ATOM 763 CB LYS A 51 -13.747 -11.661 5.217 1.00 0.00 C ATOM 764 CG LYS A 51 -14.241 -11.776 3.774 1.00 0.00 C ATOM 765 CD LYS A 51 -14.448 -13.226 3.363 1.00 0.00 C ATOM 766 CE LYS A 51 -14.978 -13.256 1.916 1.00 0.00 C ATOM 767 NZ LYS A 51 -14.178 -12.342 1.038 1.00 0.00 N ATOM 0 H LYS A 51 -12.100 -10.521 3.992 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.393 -9.604 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.841 -12.249 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.493 -12.050 5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.178 -11.230 3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.520 -11.307 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.510 -13.777 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.155 -13.712 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.932 -14.273 1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.026 -12.957 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.613 -12.299 0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.159 -11.389 1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.206 -12.703 0.955 1.00 0.00 H new ATOM 781 N TRP A 52 -12.432 -10.996 7.524 1.00 0.00 N ATOM 782 CA TRP A 52 -11.873 -10.857 8.863 1.00 0.00 C ATOM 783 C TRP A 52 -10.363 -11.064 8.882 1.00 0.00 C ATOM 784 O TRP A 52 -9.591 -10.108 8.832 1.00 0.00 O ATOM 785 CB TRP A 52 -12.576 -11.808 9.842 1.00 0.00 C ATOM 786 CG TRP A 52 -13.983 -11.344 10.036 1.00 0.00 C ATOM 787 CD1 TRP A 52 -15.079 -11.913 9.481 1.00 0.00 C ATOM 788 CD2 TRP A 52 -14.462 -10.220 10.818 1.00 0.00 C ATOM 789 NE1 TRP A 52 -16.197 -11.204 9.879 1.00 0.00 N ATOM 790 CE2 TRP A 52 -15.868 -10.155 10.708 1.00 0.00 C ATOM 791 CE3 TRP A 52 -13.814 -9.265 11.616 1.00 0.00 C ATOM 792 CZ2 TRP A 52 -16.608 -9.169 11.351 1.00 0.00 C ATOM 793 CZ3 TRP A 52 -14.555 -8.267 12.269 1.00 0.00 C ATOM 794 CH2 TRP A 52 -15.947 -8.226 12.143 1.00 0.00 C ATOM 0 H TRP A 52 -12.343 -11.927 7.118 1.00 0.00 H new ATOM 0 HA TRP A 52 -12.053 -9.832 9.187 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -12.564 -12.826 9.453 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -12.049 -11.825 10.796 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -15.080 -12.778 8.834 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -17.150 -11.430 9.593 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -12.740 -9.298 11.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -17.682 -9.132 11.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -14.048 -7.528 12.871 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -16.513 -7.464 12.659 1.00 0.00 H new ATOM 805 N THR A 53 -9.958 -12.310 9.041 1.00 0.00 N ATOM 806 CA THR A 53 -8.551 -12.649 9.218 1.00 0.00 C ATOM 807 C THR A 53 -8.005 -13.471 8.050 1.00 0.00 C ATOM 808 O THR A 53 -6.806 -13.713 7.961 1.00 0.00 O ATOM 809 CB THR A 53 -8.434 -13.454 10.507 1.00 0.00 C ATOM 810 OG1 THR A 53 -9.473 -14.436 10.521 1.00 0.00 O ATOM 811 CG2 THR A 53 -8.625 -12.516 11.703 1.00 0.00 C ATOM 0 H THR A 53 -10.587 -13.113 9.052 1.00 0.00 H new ATOM 0 HA THR A 53 -7.966 -11.731 9.262 1.00 0.00 H new ATOM 0 HB THR A 53 -7.456 -13.932 10.565 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.412 -14.965 11.344 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.543 -13.085 12.629 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.858 -11.741 11.684 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.610 -12.053 11.648 1.00 0.00 H new ATOM 819 N ARG A 54 -8.914 -13.972 7.223 1.00 0.00 N ATOM 820 CA ARG A 54 -8.600 -14.941 6.155 1.00 0.00 C ATOM 821 C ARG A 54 -7.109 -15.153 5.873 1.00 0.00 C ATOM 822 O ARG A 54 -6.494 -16.026 6.493 1.00 0.00 O ATOM 823 CB ARG A 54 -9.416 -14.661 4.896 1.00 0.00 C ATOM 824 CG ARG A 54 -10.567 -15.672 4.807 1.00 0.00 C ATOM 825 CD ARG A 54 -11.687 -15.293 5.778 1.00 0.00 C ATOM 826 NE ARG A 54 -11.226 -15.391 7.176 1.00 0.00 N ATOM 827 CZ ARG A 54 -12.024 -15.132 8.219 1.00 0.00 C ATOM 828 NH1 ARG A 54 -13.292 -14.916 8.034 1.00 0.00 N ATOM 829 NH2 ARG A 54 -11.533 -15.119 9.429 1.00 0.00 N ATOM 0 H ARG A 54 -9.902 -13.721 7.267 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.911 -15.909 6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.810 -13.645 4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.782 -14.735 4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.955 -15.702 3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.200 -16.672 5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.024 -14.277 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.543 -15.950 5.626 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.261 -15.667 7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.682 -14.944 7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.897 -14.719 8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.542 -15.306 9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.141 -14.922 10.224 1.00 0.00 H new ATOM 843 N ASN A 55 -6.546 -14.446 4.902 1.00 0.00 N ATOM 844 CA ASN A 55 -5.143 -14.692 4.554 1.00 0.00 C ATOM 845 C ASN A 55 -4.213 -13.722 5.265 1.00 0.00 C ATOM 846 O ASN A 55 -3.886 -13.922 6.438 1.00 0.00 O ATOM 847 CB ASN A 55 -4.952 -14.622 3.035 1.00 0.00 C ATOM 848 CG ASN A 55 -3.464 -14.591 2.679 1.00 0.00 C ATOM 849 OD1 ASN A 55 -2.933 -13.536 2.336 1.00 0.00 O ATOM 850 ND2 ASN A 55 -2.763 -15.678 2.736 1.00 0.00 N ATOM 0 H ASN A 55 -7.014 -13.722 4.356 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.883 -15.695 4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.426 -15.483 2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.444 -13.732 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.772 -15.659 2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.202 -16.554 3.020 1.00 0.00 H new ATOM 857 N ARG A 56 -3.838 -12.640 4.596 1.00 0.00 N ATOM 858 CA ARG A 56 -2.995 -11.629 5.214 1.00 0.00 C ATOM 859 C ARG A 56 -3.718 -10.302 5.330 1.00 0.00 C ATOM 860 O ARG A 56 -3.778 -9.535 4.366 1.00 0.00 O ATOM 861 CB ARG A 56 -1.664 -11.459 4.462 1.00 0.00 C ATOM 862 CG ARG A 56 -0.767 -10.448 5.199 1.00 0.00 C ATOM 863 CD ARG A 56 -0.509 -9.198 4.343 1.00 0.00 C ATOM 864 NE ARG A 56 -0.382 -9.535 2.923 1.00 0.00 N ATOM 865 CZ ARG A 56 -1.344 -9.248 2.047 1.00 0.00 C ATOM 866 NH1 ARG A 56 -2.494 -8.835 2.467 1.00 0.00 N ATOM 867 NH2 ARG A 56 -1.150 -9.456 0.781 1.00 0.00 N ATOM 0 H ARG A 56 -4.103 -12.442 3.631 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.765 -11.979 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.155 -12.420 4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.853 -11.116 3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.239 -10.157 6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.183 -10.919 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.326 -8.489 4.478 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.401 -8.704 4.683 1.00 0.00 H new ATOM 0 HE ARG A 56 0.464 -10.001 2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.664 -8.729 3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.232 -8.615 1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.262 -9.839 0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.886 -9.237 0.110 1.00 0.00 H new ATOM 881 N PRO A 57 -4.177 -9.968 6.490 1.00 0.00 N ATOM 882 CA PRO A 57 -4.765 -8.627 6.715 1.00 0.00 C ATOM 883 C PRO A 57 -3.693 -7.560 6.682 1.00 0.00 C ATOM 884 O PRO A 57 -2.525 -7.857 6.430 1.00 0.00 O ATOM 885 CB PRO A 57 -5.436 -8.708 8.078 1.00 0.00 C ATOM 886 CG PRO A 57 -4.797 -9.869 8.773 1.00 0.00 C ATOM 887 CD PRO A 57 -4.300 -10.829 7.685 1.00 0.00 C ATOM 0 HA PRO A 57 -5.480 -8.355 5.938 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.292 -7.786 8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.511 -8.855 7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.970 -9.535 9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.512 -10.367 9.428 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.345 -11.280 7.954 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.003 -11.646 7.520 1.00 0.00 H new ATOM 895 N ILE A 58 -4.102 -6.320 6.842 1.00 0.00 N ATOM 896 CA ILE A 58 -3.178 -5.208 6.785 1.00 0.00 C ATOM 897 C ILE A 58 -2.057 -5.416 7.816 1.00 0.00 C ATOM 898 O ILE A 58 -2.131 -4.908 8.940 1.00 0.00 O ATOM 899 CB ILE A 58 -3.952 -3.911 7.075 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.016 -3.697 5.985 1.00 0.00 C ATOM 901 CG2 ILE A 58 -2.999 -2.718 7.085 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.001 -2.617 6.425 1.00 0.00 C ATOM 0 H ILE A 58 -5.072 -6.056 7.013 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.724 -5.141 5.796 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.429 -3.996 8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.538 -3.406 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.547 -4.630 5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.560 -1.806 7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.244 -2.862 7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.513 -2.633 6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.752 -2.471 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.490 -2.925 7.349 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.465 -1.683 6.592 1.00 0.00 H new ATOM 914 N VAL A 59 -1.052 -6.195 7.432 1.00 0.00 N ATOM 915 CA VAL A 59 0.078 -6.498 8.293 1.00 0.00 C ATOM 916 C VAL A 59 1.364 -6.384 7.487 1.00 0.00 C ATOM 917 O VAL A 59 1.355 -6.587 6.267 1.00 0.00 O ATOM 918 CB VAL A 59 -0.045 -7.932 8.859 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.392 -8.108 9.565 1.00 0.00 C ATOM 920 CG2 VAL A 59 0.076 -8.975 7.734 1.00 0.00 C ATOM 0 H VAL A 59 -1.001 -6.634 6.513 1.00 0.00 H new ATOM 0 HA VAL A 59 0.092 -5.792 9.123 1.00 0.00 H new ATOM 0 HB VAL A 59 0.765 -8.083 9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.467 -9.122 9.959 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.469 -7.393 10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.200 -7.935 8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.013 -9.976 8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.718 -8.816 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.045 -8.872 7.245 1.00 0.00 H new ATOM 930 N SER A 60 2.484 -6.218 8.176 1.00 0.00 N ATOM 931 CA SER A 60 3.776 -6.266 7.517 1.00 0.00 C ATOM 932 C SER A 60 4.424 -7.600 7.820 1.00 0.00 C ATOM 933 O SER A 60 4.664 -7.920 8.990 1.00 0.00 O ATOM 934 CB SER A 60 4.690 -5.151 8.028 1.00 0.00 C ATOM 935 OG SER A 60 3.984 -3.909 8.107 1.00 0.00 O ATOM 0 H SER A 60 2.522 -6.051 9.181 1.00 0.00 H new ATOM 0 HA SER A 60 3.629 -6.137 6.445 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.079 -5.416 9.011 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.548 -5.045 7.364 1.00 0.00 H new ATOM 0 HG SER A 60 4.578 -3.217 8.465 1.00 0.00 H new ATOM 941 N THR A 61 4.731 -8.378 6.801 1.00 0.00 N ATOM 942 CA THR A 61 5.386 -9.644 7.055 1.00 0.00 C ATOM 943 C THR A 61 6.793 -9.376 7.555 1.00 0.00 C ATOM 944 O THR A 61 7.666 -8.976 6.774 1.00 0.00 O ATOM 945 CB THR A 61 5.418 -10.518 5.790 1.00 0.00 C ATOM 946 OG1 THR A 61 6.362 -9.994 4.868 1.00 0.00 O ATOM 947 CG2 THR A 61 4.021 -10.556 5.144 1.00 0.00 C ATOM 0 H THR A 61 4.545 -8.166 5.821 1.00 0.00 H new ATOM 0 HA THR A 61 4.824 -10.191 7.812 1.00 0.00 H new ATOM 0 HB THR A 61 5.710 -11.532 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.168 -9.713 5.349 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.051 -11.177 4.249 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.304 -10.974 5.851 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.717 -9.545 4.874 1.00 0.00 H new ATOM 955 N LYS A 62 6.992 -9.520 8.849 1.00 0.00 N ATOM 956 CA LYS A 62 8.274 -9.228 9.441 1.00 0.00 C ATOM 957 C LYS A 62 9.332 -10.167 8.898 1.00 0.00 C ATOM 958 O LYS A 62 9.302 -11.367 9.169 1.00 0.00 O ATOM 959 CB LYS A 62 8.202 -9.408 10.964 1.00 0.00 C ATOM 960 CG LYS A 62 7.340 -8.313 11.623 1.00 0.00 C ATOM 961 CD LYS A 62 8.124 -6.988 11.655 1.00 0.00 C ATOM 962 CE LYS A 62 7.593 -6.087 12.789 1.00 0.00 C ATOM 963 NZ LYS A 62 8.683 -5.841 13.765 1.00 0.00 N ATOM 0 H LYS A 62 6.281 -9.837 9.508 1.00 0.00 H new ATOM 0 HA LYS A 62 8.535 -8.198 9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.786 -10.388 11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.208 -9.381 11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.411 -8.184 11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.068 -8.611 12.636 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.185 -7.187 11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.028 -6.476 10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.233 -5.142 12.381 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.747 -6.564 13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.285 -5.789 14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.373 -6.618 13.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.156 -4.943 13.538 1.00 0.00 H new ATOM 977 N LYS A 63 10.345 -9.590 8.304 1.00 0.00 N ATOM 978 CA LYS A 63 11.529 -10.321 7.920 1.00 0.00 C ATOM 979 C LYS A 63 12.727 -9.464 8.224 1.00 0.00 C ATOM 980 O LYS A 63 12.612 -8.246 8.272 1.00 0.00 O ATOM 981 CB LYS A 63 11.523 -10.706 6.439 1.00 0.00 C ATOM 982 CG LYS A 63 10.348 -11.662 6.136 1.00 0.00 C ATOM 983 CD LYS A 63 10.741 -12.620 5.001 1.00 0.00 C ATOM 984 CE LYS A 63 11.092 -11.836 3.721 1.00 0.00 C ATOM 985 NZ LYS A 63 12.280 -12.450 3.060 1.00 0.00 N ATOM 0 H LYS A 63 10.374 -8.597 8.072 1.00 0.00 H new ATOM 0 HA LYS A 63 11.560 -11.253 8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.439 -9.810 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.467 -11.185 6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.088 -12.229 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.464 -11.090 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.594 -13.225 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.920 -13.307 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.243 -11.839 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.299 -10.795 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.512 -11.917 2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.091 -12.425 3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.067 -13.437 2.810 1.00 0.00 H new ATOM 999 N LEU A 64 13.857 -10.072 8.451 1.00 0.00 N ATOM 1000 CA LEU A 64 15.050 -9.322 8.774 1.00 0.00 C ATOM 1001 C LEU A 64 15.985 -9.360 7.583 1.00 0.00 C ATOM 1002 O LEU A 64 16.425 -10.442 7.169 1.00 0.00 O ATOM 1003 CB LEU A 64 15.721 -9.951 10.003 1.00 0.00 C ATOM 1004 CG LEU A 64 16.610 -8.926 10.728 1.00 0.00 C ATOM 1005 CD1 LEU A 64 17.516 -8.189 9.750 1.00 0.00 C ATOM 1006 CD2 LEU A 64 15.741 -7.918 11.484 1.00 0.00 C ATOM 0 H LEU A 64 13.983 -11.084 8.420 1.00 0.00 H new ATOM 0 HA LEU A 64 14.801 -8.285 9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.959 -10.325 10.687 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.322 -10.807 9.696 1.00 0.00 H new ATOM 0 HG LEU A 64 17.238 -9.469 11.434 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.131 -7.472 10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 64 18.159 -8.906 9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.907 -7.661 9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.380 -7.197 11.994 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.094 -7.395 10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.129 -8.443 12.218 1.00 0.00 H new ATOM 1018 N ASP A 65 16.269 -8.194 7.006 1.00 0.00 N ATOM 1019 CA ASP A 65 17.116 -8.138 5.835 1.00 0.00 C ATOM 1020 C ASP A 65 18.565 -8.315 6.158 1.00 0.00 C ATOM 1021 O ASP A 65 19.073 -7.837 7.177 1.00 0.00 O ATOM 1022 CB ASP A 65 16.931 -6.865 4.995 1.00 0.00 C ATOM 1023 CG ASP A 65 15.758 -6.977 4.033 1.00 0.00 C ATOM 1024 OD1 ASP A 65 15.450 -8.079 3.615 1.00 0.00 O ATOM 1025 OD2 ASP A 65 15.219 -5.954 3.675 1.00 0.00 O ATOM 0 H ASP A 65 15.926 -7.290 7.331 1.00 0.00 H new ATOM 0 HA ASP A 65 16.785 -8.983 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.775 -6.014 5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.843 -6.668 4.432 1.00 0.00 H new ATOM 1030 N LYS A 66 19.231 -8.829 5.178 1.00 0.00 N ATOM 1031 CA LYS A 66 20.663 -8.988 5.129 1.00 0.00 C ATOM 1032 C LYS A 66 21.377 -7.751 5.673 1.00 0.00 C ATOM 1033 O LYS A 66 22.490 -7.837 6.189 1.00 0.00 O ATOM 1034 CB LYS A 66 21.064 -9.207 3.663 1.00 0.00 C ATOM 1035 CG LYS A 66 20.243 -8.258 2.739 1.00 0.00 C ATOM 1036 CD LYS A 66 18.970 -8.965 2.201 1.00 0.00 C ATOM 1037 CE LYS A 66 17.986 -7.920 1.633 1.00 0.00 C ATOM 1038 NZ LYS A 66 16.637 -8.526 1.509 1.00 0.00 N ATOM 0 H LYS A 66 18.771 -9.173 4.335 1.00 0.00 H new ATOM 0 HA LYS A 66 20.953 -9.838 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 66 22.130 -9.018 3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.888 -10.245 3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.959 -7.363 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.863 -7.933 1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.242 -9.680 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.492 -9.530 3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.946 -7.049 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.331 -7.572 0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.026 -7.901 0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.714 -9.451 1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.224 -8.651 2.455 1.00 0.00 H new ATOM 1052 N GLU A 67 20.740 -6.607 5.524 1.00 0.00 N ATOM 1053 CA GLU A 67 21.296 -5.350 5.978 1.00 0.00 C ATOM 1054 C GLU A 67 21.420 -5.350 7.491 1.00 0.00 C ATOM 1055 O GLU A 67 22.263 -4.650 8.058 1.00 0.00 O ATOM 1056 CB GLU A 67 20.382 -4.199 5.561 1.00 0.00 C ATOM 1057 CG GLU A 67 20.390 -4.051 4.039 1.00 0.00 C ATOM 1058 CD GLU A 67 19.453 -2.934 3.612 1.00 0.00 C ATOM 1059 OE1 GLU A 67 18.978 -2.210 4.468 1.00 0.00 O ATOM 1060 OE2 GLU A 67 19.228 -2.808 2.438 1.00 0.00 O ATOM 0 H GLU A 67 19.823 -6.523 5.085 1.00 0.00 H new ATOM 0 HA GLU A 67 22.281 -5.224 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 67 19.367 -4.385 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 67 20.715 -3.272 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.402 -3.838 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.085 -4.988 3.574 1.00 0.00 H new ATOM 1067 N GLY A 68 20.460 -5.982 8.133 1.00 0.00 N ATOM 1068 CA GLY A 68 20.330 -5.925 9.571 1.00 0.00 C ATOM 1069 C GLY A 68 19.166 -5.031 9.910 1.00 0.00 C ATOM 1070 O GLY A 68 19.219 -4.240 10.855 1.00 0.00 O ATOM 0 H GLY A 68 19.749 -6.549 7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.171 -6.924 9.977 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.246 -5.541 10.019 1.00 0.00 H new ATOM 1074 N ARG A 69 18.140 -5.105 9.074 1.00 0.00 N ATOM 1075 CA ARG A 69 16.954 -4.292 9.228 1.00 0.00 C ATOM 1076 C ARG A 69 15.730 -5.163 9.058 1.00 0.00 C ATOM 1077 O ARG A 69 15.680 -5.988 8.137 1.00 0.00 O ATOM 1078 CB ARG A 69 16.941 -3.190 8.158 1.00 0.00 C ATOM 1079 CG ARG A 69 18.195 -2.312 8.286 1.00 0.00 C ATOM 1080 CD ARG A 69 18.142 -1.539 9.606 1.00 0.00 C ATOM 1081 NE ARG A 69 19.279 -0.638 9.729 1.00 0.00 N ATOM 1082 CZ ARG A 69 20.383 -0.978 10.398 1.00 0.00 C ATOM 1083 NH1 ARG A 69 20.506 -2.184 10.891 1.00 0.00 N ATOM 1084 NH2 ARG A 69 21.344 -0.109 10.555 1.00 0.00 N ATOM 0 H ARG A 69 18.112 -5.733 8.271 1.00 0.00 H new ATOM 0 HA ARG A 69 16.952 -3.837 10.218 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.901 -3.638 7.165 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.046 -2.577 8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.091 -2.931 8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.254 -1.618 7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.214 -0.969 9.661 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.136 -2.239 10.442 1.00 0.00 H new ATOM 0 HE ARG A 69 19.230 0.282 9.290 1.00 0.00 H new ATOM 0 HH11 ARG A 69 19.758 -2.866 10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 69 21.350 -2.442 11.402 1.00 0.00 H new ATOM 0 HH21 ARG A 69 21.251 0.830 10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 69 22.188 -0.368 11.066 1.00 0.00 H new ATOM 1098 N THR A 70 14.728 -4.949 9.886 1.00 0.00 N ATOM 1099 CA THR A 70 13.492 -5.689 9.751 1.00 0.00 C ATOM 1100 C THR A 70 12.717 -5.132 8.575 1.00 0.00 C ATOM 1101 O THR A 70 12.486 -3.931 8.503 1.00 0.00 O ATOM 1102 CB THR A 70 12.648 -5.570 11.018 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.484 -5.428 12.161 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.769 -6.809 11.180 1.00 0.00 C ATOM 0 H THR A 70 14.745 -4.276 10.652 1.00 0.00 H new ATOM 0 HA THR A 70 13.723 -6.742 9.590 1.00 0.00 H new ATOM 0 HB THR A 70 12.016 -4.687 10.929 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.982 -4.992 12.881 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.171 -6.715 12.086 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.109 -6.902 10.318 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.399 -7.695 11.252 1.00 0.00 H new ATOM 1112 N HIS A 71 12.309 -5.999 7.680 1.00 0.00 N ATOM 1113 CA HIS A 71 11.571 -5.600 6.498 1.00 0.00 C ATOM 1114 C HIS A 71 10.085 -5.724 6.730 1.00 0.00 C ATOM 1115 O HIS A 71 9.600 -6.765 7.185 1.00 0.00 O ATOM 1116 CB HIS A 71 11.967 -6.477 5.313 1.00 0.00 C ATOM 1117 CG HIS A 71 11.787 -5.737 4.015 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.866 -5.310 3.264 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.663 -5.376 3.300 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.377 -4.724 2.148 1.00 0.00 C ATOM 1121 NE2 HIS A 71 11.043 -4.745 2.118 1.00 0.00 N ATOM 0 H HIS A 71 12.478 -7.003 7.747 1.00 0.00 H new ATOM 0 HA HIS A 71 11.812 -4.559 6.283 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.006 -6.789 5.417 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.361 -7.383 5.307 1.00 0.00 H new ATOM 0 HD1 HIS A 71 13.851 -5.417 3.507 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.644 -5.555 3.610 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.992 -4.291 1.373 1.00 0.00 H new ATOM 1130 N HIS A 72 9.364 -4.699 6.357 1.00 0.00 N ATOM 1131 CA HIS A 72 7.926 -4.704 6.431 1.00 0.00 C ATOM 1132 C HIS A 72 7.366 -4.867 5.044 1.00 0.00 C ATOM 1133 O HIS A 72 7.366 -3.918 4.269 1.00 0.00 O ATOM 1134 CB HIS A 72 7.414 -3.370 7.001 1.00 0.00 C ATOM 1135 CG HIS A 72 7.501 -3.371 8.497 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.369 -3.330 9.301 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.575 -3.404 9.350 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.792 -3.334 10.582 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.133 -3.381 10.666 1.00 0.00 N ATOM 0 H HIS A 72 9.760 -3.833 5.991 1.00 0.00 H new ATOM 0 HA HIS A 72 7.611 -5.522 7.078 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.002 -2.546 6.597 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.382 -3.207 6.691 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.610 -3.442 9.044 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.133 -3.303 11.437 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.702 -3.396 11.512 1.00 0.00 H new ATOM 1148 N TYR A 73 6.820 -6.033 4.755 1.00 0.00 N ATOM 1149 CA TYR A 73 6.152 -6.256 3.490 1.00 0.00 C ATOM 1150 C TYR A 73 4.667 -6.195 3.741 1.00 0.00 C ATOM 1151 O TYR A 73 4.091 -7.125 4.319 1.00 0.00 O ATOM 1152 CB TYR A 73 6.505 -7.637 2.920 1.00 0.00 C ATOM 1153 CG TYR A 73 7.994 -7.749 2.674 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.535 -7.253 1.494 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.829 -8.361 3.620 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.900 -7.355 1.250 1.00 0.00 C ATOM 1157 CE2 TYR A 73 10.198 -8.460 3.371 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.730 -7.961 2.184 1.00 0.00 C ATOM 1159 OH TYR A 73 12.084 -8.051 1.942 1.00 0.00 O ATOM 0 H TYR A 73 6.827 -6.839 5.380 1.00 0.00 H new ATOM 0 HA TYR A 73 6.467 -5.499 2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.186 -8.415 3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.964 -7.800 1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.892 -6.786 0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.414 -8.754 4.537 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.315 -6.963 0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.846 -8.924 4.099 1.00 0.00 H new ATOM 0 HH TYR A 73 12.522 -8.501 2.694 1.00 0.00 H new ATOM 1169 N MET A 74 4.075 -5.054 3.452 1.00 0.00 N ATOM 1170 CA MET A 74 2.670 -4.835 3.736 1.00 0.00 C ATOM 1171 C MET A 74 1.954 -4.288 2.525 1.00 0.00 C ATOM 1172 O MET A 74 2.363 -3.276 1.952 1.00 0.00 O ATOM 1173 CB MET A 74 2.505 -3.885 4.931 1.00 0.00 C ATOM 1174 CG MET A 74 1.020 -3.694 5.268 1.00 0.00 C ATOM 1175 SD MET A 74 0.873 -2.628 6.719 1.00 0.00 S ATOM 1176 CE MET A 74 1.478 -1.110 5.943 1.00 0.00 C ATOM 0 H MET A 74 4.547 -4.260 3.019 1.00 0.00 H new ATOM 0 HA MET A 74 2.222 -5.796 3.990 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.031 -4.286 5.797 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.958 -2.921 4.701 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.497 -3.250 4.421 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.552 -4.659 5.462 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.010 -0.247 6.417 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.560 -1.047 6.062 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.230 -1.120 4.882 1.00 0.00 H new ATOM 1186 N ARG A 75 0.847 -4.907 2.192 1.00 0.00 N ATOM 1187 CA ARG A 75 0.011 -4.439 1.121 1.00 0.00 C ATOM 1188 C ARG A 75 -1.439 -4.533 1.526 1.00 0.00 C ATOM 1189 O ARG A 75 -1.796 -5.345 2.381 1.00 0.00 O ATOM 1190 CB ARG A 75 0.267 -5.220 -0.170 1.00 0.00 C ATOM 1191 CG ARG A 75 0.117 -6.724 0.080 1.00 0.00 C ATOM 1192 CD ARG A 75 0.216 -7.462 -1.260 1.00 0.00 C ATOM 1193 NE ARG A 75 1.562 -7.331 -1.816 1.00 0.00 N ATOM 1194 CZ ARG A 75 1.852 -7.717 -3.062 1.00 0.00 C ATOM 1195 NH1 ARG A 75 0.915 -8.193 -3.827 1.00 0.00 N ATOM 1196 NH2 ARG A 75 3.069 -7.610 -3.513 1.00 0.00 N ATOM 0 H ARG A 75 0.504 -5.747 2.657 1.00 0.00 H new ATOM 0 HA ARG A 75 0.257 -3.396 0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.434 -4.901 -0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.269 -5.004 -0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.894 -7.072 0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.841 -6.933 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.026 -8.516 -1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.515 -7.057 -1.960 1.00 0.00 H new ATOM 0 HE ARG A 75 2.301 -6.933 -1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.039 -8.271 -3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.134 -8.488 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.803 -7.231 -2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.288 -7.905 -4.464 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.258 -3.688 0.951 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.673 -3.668 1.258 1.00 0.00 C ATOM 1212 C PHE A 76 -4.496 -3.188 0.077 1.00 0.00 C ATOM 1213 O PHE A 76 -3.957 -2.626 -0.878 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.959 -2.850 2.531 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.320 -1.478 2.446 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -4.016 -0.399 1.882 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -2.024 -1.283 2.950 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -3.413 0.865 1.825 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -1.430 -0.022 2.887 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.122 1.052 2.327 1.00 0.00 C ATOM 0 H PHE A 76 -1.968 -2.996 0.260 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.980 -4.694 1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.035 -2.747 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.576 -3.381 3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.013 -0.542 1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.486 -2.111 3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.948 1.697 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.432 0.123 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.661 2.027 2.281 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.782 -3.469 0.117 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.680 -3.124 -0.970 1.00 0.00 C ATOM 1232 C HIS A 77 -7.564 -1.969 -0.567 1.00 0.00 C ATOM 1233 O HIS A 77 -7.962 -1.865 0.600 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.540 -4.338 -1.343 1.00 0.00 C ATOM 1235 CG HIS A 77 -6.739 -5.266 -2.215 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.727 -6.070 -1.710 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -6.792 -5.529 -3.559 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.218 -6.772 -2.741 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -5.833 -6.477 -3.890 1.00 0.00 N ATOM 0 H HIS A 77 -6.235 -3.941 0.900 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.088 -2.828 -1.836 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.866 -4.858 -0.442 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.439 -4.014 -1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.477 -5.068 -4.256 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.412 -7.485 -2.650 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.639 -6.865 -4.813 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.862 -1.089 -1.506 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.698 0.053 -1.205 1.00 0.00 C ATOM 1250 C VAL A 78 -9.795 0.224 -2.242 1.00 0.00 C ATOM 1251 O VAL A 78 -9.622 -0.136 -3.409 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.860 1.349 -1.087 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.557 1.070 -0.324 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.535 1.911 -2.479 1.00 0.00 C ATOM 0 H VAL A 78 -7.540 -1.144 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.168 -0.137 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.446 2.087 -0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.976 1.989 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.792 0.705 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.977 0.318 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.945 2.822 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.966 1.173 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.462 2.137 -3.006 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.867 0.870 -1.836 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.962 1.186 -2.728 1.00 0.00 C ATOM 1266 C GLU A 79 -11.970 2.641 -3.078 1.00 0.00 C ATOM 1267 O GLU A 79 -12.087 3.505 -2.208 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.296 0.778 -2.123 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.398 -0.746 -2.151 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.642 -1.237 -1.461 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.420 -0.427 -0.998 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.813 -2.429 -1.408 1.00 0.00 O ATOM 0 H GLU A 79 -11.004 1.191 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.814 0.615 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.375 1.144 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.118 1.223 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.396 -1.091 -3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.521 -1.178 -1.669 1.00 0.00 H new ATOM 1279 N SER A 80 -11.870 2.902 -4.355 1.00 0.00 N ATOM 1280 CA SER A 80 -11.899 4.235 -4.874 1.00 0.00 C ATOM 1281 C SER A 80 -13.331 4.666 -5.122 1.00 0.00 C ATOM 1282 O SER A 80 -14.279 3.928 -4.830 1.00 0.00 O ATOM 1283 CB SER A 80 -11.090 4.293 -6.163 1.00 0.00 C ATOM 1284 OG SER A 80 -11.908 3.885 -7.251 1.00 0.00 O ATOM 0 H SER A 80 -11.765 2.182 -5.070 1.00 0.00 H new ATOM 0 HA SER A 80 -11.458 4.918 -4.148 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.722 5.305 -6.330 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.217 3.645 -6.087 1.00 0.00 H new ATOM 0 HG SER A 80 -12.429 3.097 -6.991 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.491 5.833 -5.705 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.802 6.322 -6.045 1.00 0.00 C ATOM 1292 C LYS A 81 -15.419 5.421 -7.117 1.00 0.00 C ATOM 1293 O LYS A 81 -16.636 5.462 -7.349 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.725 7.760 -6.567 1.00 0.00 C ATOM 1295 CG LYS A 81 -13.728 8.618 -5.747 1.00 0.00 C ATOM 1296 CD LYS A 81 -14.078 8.650 -4.242 1.00 0.00 C ATOM 1297 CE LYS A 81 -14.604 10.053 -3.889 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.587 10.297 -2.421 1.00 0.00 N ATOM 0 H LYS A 81 -12.726 6.460 -5.953 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.422 6.310 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.421 7.751 -7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.715 8.215 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.721 8.221 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.722 9.636 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.830 7.895 -4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.198 8.415 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.995 10.806 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.621 10.165 -4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.101 11.176 -2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.045 9.502 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.603 10.384 -2.095 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.549 4.760 -7.898 1.00 0.00 N ATOM 1313 CA LYS A 82 -14.997 3.970 -9.051 1.00 0.00 C ATOM 1314 C LYS A 82 -14.399 2.566 -9.062 1.00 0.00 C ATOM 1315 O LYS A 82 -15.069 1.605 -9.448 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.606 4.694 -10.344 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.249 6.081 -10.345 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.766 5.928 -10.509 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.479 7.128 -9.895 1.00 0.00 C ATOM 1320 NZ LYS A 82 -18.323 6.645 -8.774 1.00 0.00 N ATOM 0 H LYS A 82 -13.540 4.758 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.080 3.867 -8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.522 4.780 -10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.938 4.123 -11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.022 6.602 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.842 6.684 -11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.020 5.845 -11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.102 5.009 -10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.753 7.858 -9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -18.093 7.629 -10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.944 7.414 -8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.902 5.844 -9.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.714 6.339 -7.988 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.131 2.458 -8.695 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.416 1.181 -8.758 1.00 0.00 C ATOM 1336 C LYS A 83 -11.860 0.783 -7.409 1.00 0.00 C ATOM 1337 O LYS A 83 -11.776 1.600 -6.489 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.270 1.249 -9.773 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.813 1.498 -11.193 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.634 0.290 -11.669 1.00 0.00 C ATOM 1341 CE LYS A 83 -13.146 0.555 -13.092 1.00 0.00 C ATOM 1342 NZ LYS A 83 -13.942 -0.602 -13.567 1.00 0.00 N ATOM 0 H LYS A 83 -12.571 3.237 -8.349 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.139 0.428 -9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.580 2.047 -9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.704 0.318 -9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.434 2.394 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.986 1.678 -11.880 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.020 -0.611 -11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.473 0.117 -10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.757 1.458 -13.106 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.305 0.729 -13.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.285 -0.415 -14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.347 -1.455 -13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.753 -0.749 -12.933 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.427 -0.456 -7.326 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.803 -0.996 -6.140 1.00 0.00 C ATOM 1358 C ILE A 84 -9.302 -1.079 -6.410 1.00 0.00 C ATOM 1359 O ILE A 84 -8.903 -1.501 -7.494 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.367 -2.399 -5.877 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.890 -2.317 -5.775 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.810 -2.950 -4.557 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.483 -3.720 -5.818 1.00 0.00 C ATOM 0 H ILE A 84 -11.500 -1.125 -8.092 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.996 -0.369 -5.269 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.079 -3.059 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.176 -1.819 -4.849 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.287 -1.718 -6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.216 -3.946 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.723 -3.006 -4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.095 -2.290 -3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.569 -3.658 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.209 -4.202 -6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.096 -4.304 -4.983 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.490 -0.554 -5.504 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.046 -0.482 -5.736 1.00 0.00 C ATOM 1377 C ALA A 85 -6.270 -1.299 -4.725 1.00 0.00 C ATOM 1378 O ALA A 85 -6.711 -1.490 -3.592 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.560 0.975 -5.720 1.00 0.00 C ATOM 0 H ALA A 85 -8.797 -0.174 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.861 -0.906 -6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.484 1.002 -5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.069 1.537 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.781 1.422 -4.751 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.083 -1.714 -5.126 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.173 -2.455 -4.271 1.00 0.00 C ATOM 1387 C LEU A 86 -2.968 -1.597 -3.919 1.00 0.00 C ATOM 1388 O LEU A 86 -2.344 -1.009 -4.796 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.737 -3.745 -4.987 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.488 -4.360 -4.331 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.786 -4.779 -2.893 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -2.043 -5.584 -5.137 1.00 0.00 C ATOM 0 H LEU A 86 -4.719 -1.545 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.679 -2.721 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.553 -4.467 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.529 -3.528 -6.035 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.694 -3.613 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.890 -5.211 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.094 -3.907 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.587 -5.518 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.158 -6.022 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.846 -6.321 -5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.807 -5.282 -6.157 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.651 -1.528 -2.643 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.516 -0.748 -2.184 1.00 0.00 C ATOM 1406 C VAL A 87 -0.479 -1.676 -1.575 1.00 0.00 C ATOM 1407 O VAL A 87 -0.804 -2.497 -0.717 1.00 0.00 O ATOM 1408 CB VAL A 87 -1.974 0.280 -1.137 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.788 1.141 -0.690 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -3.067 1.176 -1.732 1.00 0.00 C ATOM 0 H VAL A 87 -3.164 -2.004 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.077 -0.219 -3.030 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.373 -0.251 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.124 1.866 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.020 0.503 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.376 1.667 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.388 1.903 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.674 1.700 -2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.917 0.563 -2.031 1.00 0.00 H new ATOM 1420 N HIS A 88 0.760 -1.548 -2.028 1.00 0.00 N ATOM 1421 CA HIS A 88 1.860 -2.368 -1.528 1.00 0.00 C ATOM 1422 C HIS A 88 2.985 -1.490 -1.026 1.00 0.00 C ATOM 1423 O HIS A 88 3.494 -0.643 -1.766 1.00 0.00 O ATOM 1424 CB HIS A 88 2.362 -3.311 -2.630 1.00 0.00 C ATOM 1425 CG HIS A 88 3.447 -4.221 -2.107 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.388 -4.788 -2.950 1.00 0.00 N ATOM 1427 CD2 HIS A 88 3.772 -4.655 -0.841 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.226 -5.523 -2.195 1.00 0.00 C ATOM 1429 NE2 HIS A 88 4.895 -5.480 -0.901 1.00 0.00 N ATOM 0 H HIS A 88 1.032 -0.878 -2.748 1.00 0.00 H new ATOM 0 HA HIS A 88 1.497 -2.971 -0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.533 -3.908 -3.009 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.744 -2.727 -3.468 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.437 -4.670 -3.962 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.238 -4.396 0.061 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.064 -6.080 -2.587 1.00 0.00 H new ATOM 1438 N LEU A 89 3.347 -1.667 0.239 1.00 0.00 N ATOM 1439 CA LEU A 89 4.405 -0.887 0.852 1.00 0.00 C ATOM 1440 C LEU A 89 5.471 -1.781 1.470 1.00 0.00 C ATOM 1441 O LEU A 89 5.167 -2.648 2.304 1.00 0.00 O ATOM 1442 CB LEU A 89 3.828 0.063 1.918 1.00 0.00 C ATOM 1443 CG LEU A 89 4.954 0.940 2.494 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.405 2.320 2.875 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.542 0.264 3.739 1.00 0.00 C ATOM 0 H LEU A 89 2.917 -2.351 0.861 1.00 0.00 H new ATOM 0 HA LEU A 89 4.875 -0.296 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.053 0.691 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.358 -0.512 2.715 1.00 0.00 H new ATOM 0 HG LEU A 89 5.731 1.062 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.210 2.932 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.992 2.804 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.622 2.206 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.340 0.885 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.760 0.138 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.945 -0.712 3.467 1.00 0.00 H new ATOM 1457 N GLU A 90 6.722 -1.479 1.164 1.00 0.00 N ATOM 1458 CA GLU A 90 7.851 -2.118 1.814 1.00 0.00 C ATOM 1459 C GLU A 90 8.630 -1.127 2.641 1.00 0.00 C ATOM 1460 O GLU A 90 9.162 -0.139 2.116 1.00 0.00 O ATOM 1461 CB GLU A 90 8.780 -2.814 0.821 1.00 0.00 C ATOM 1462 CG GLU A 90 8.176 -4.157 0.386 1.00 0.00 C ATOM 1463 CD GLU A 90 9.103 -4.872 -0.584 1.00 0.00 C ATOM 1464 OE1 GLU A 90 10.269 -4.521 -0.631 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.639 -5.760 -1.271 1.00 0.00 O ATOM 0 H GLU A 90 6.981 -0.787 0.461 1.00 0.00 H new ATOM 0 HA GLU A 90 7.437 -2.884 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.937 -2.178 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.757 -2.976 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.002 -4.784 1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.207 -3.991 -0.084 1.00 0.00 H new ATOM 1472 N ALA A 91 8.745 -1.414 3.921 1.00 0.00 N ATOM 1473 CA ALA A 91 9.501 -0.569 4.825 1.00 0.00 C ATOM 1474 C ALA A 91 10.487 -1.402 5.611 1.00 0.00 C ATOM 1475 O ALA A 91 10.228 -2.570 5.859 1.00 0.00 O ATOM 1476 CB ALA A 91 8.569 0.167 5.796 1.00 0.00 C ATOM 0 H ALA A 91 8.322 -2.231 4.362 1.00 0.00 H new ATOM 0 HA ALA A 91 10.038 0.168 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.160 0.794 6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.875 0.791 5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.008 -0.560 6.383 1.00 0.00 H new ATOM 1482 N LYS A 92 11.570 -0.798 6.074 1.00 0.00 N ATOM 1483 CA LYS A 92 12.502 -1.531 6.927 1.00 0.00 C ATOM 1484 C LYS A 92 12.749 -0.833 8.250 1.00 0.00 C ATOM 1485 O LYS A 92 12.957 0.387 8.298 1.00 0.00 O ATOM 1486 CB LYS A 92 13.822 -1.883 6.223 1.00 0.00 C ATOM 1487 CG LYS A 92 14.535 -0.628 5.698 1.00 0.00 C ATOM 1488 CD LYS A 92 15.821 -1.058 4.969 1.00 0.00 C ATOM 1489 CE LYS A 92 16.537 0.169 4.397 1.00 0.00 C ATOM 1490 NZ LYS A 92 17.765 -0.257 3.680 1.00 0.00 N ATOM 0 H LYS A 92 11.824 0.171 5.883 1.00 0.00 H new ATOM 0 HA LYS A 92 12.007 -2.477 7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.476 -2.410 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.623 -2.563 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.882 -0.079 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.775 0.043 6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.480 -1.585 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.578 -1.754 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.874 0.704 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.794 0.859 5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.491 0.482 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.120 -1.142 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.545 -0.410 2.675 1.00 0.00 H new ATOM 1504 N GLU A 93 12.736 -1.611 9.320 1.00 0.00 N ATOM 1505 CA GLU A 93 12.963 -1.087 10.650 1.00 0.00 C ATOM 1506 C GLU A 93 14.422 -0.710 10.780 1.00 0.00 C ATOM 1507 O GLU A 93 15.301 -1.546 10.554 1.00 0.00 O ATOM 1508 CB GLU A 93 12.617 -2.158 11.695 1.00 0.00 C ATOM 1509 CG GLU A 93 11.114 -2.480 11.627 1.00 0.00 C ATOM 1510 CD GLU A 93 10.741 -3.599 12.586 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.598 -4.068 13.310 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.593 -3.979 12.573 1.00 0.00 O ATOM 0 H GLU A 93 12.569 -2.617 9.288 1.00 0.00 H new ATOM 0 HA GLU A 93 12.334 -0.212 10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.201 -3.060 11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.879 -1.805 12.693 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.538 -1.586 11.867 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.848 -2.767 10.610 1.00 0.00 H new ATOM 1519 N SER A 94 14.680 0.554 11.080 1.00 0.00 N ATOM 1520 CA SER A 94 16.037 1.043 11.178 1.00 0.00 C ATOM 1521 C SER A 94 16.775 0.319 12.307 1.00 0.00 C ATOM 1522 O SER A 94 17.470 -0.666 12.071 1.00 0.00 O ATOM 1523 CB SER A 94 16.021 2.556 11.401 1.00 0.00 C ATOM 1524 OG SER A 94 14.909 3.111 10.693 1.00 0.00 O ATOM 0 H SER A 94 13.963 1.257 11.259 1.00 0.00 H new ATOM 0 HA SER A 94 16.569 0.840 10.249 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.942 2.781 12.465 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.953 3.000 11.050 1.00 0.00 H new ATOM 0 HG SER A 94 14.975 4.089 10.695 1.00 0.00 H new ATOM 1530 N LYS A 95 16.534 0.733 13.541 1.00 0.00 N ATOM 1531 CA LYS A 95 17.085 0.029 14.682 1.00 0.00 C ATOM 1532 C LYS A 95 16.117 0.097 15.853 1.00 0.00 C ATOM 1533 O LYS A 95 15.350 -0.837 16.096 1.00 0.00 O ATOM 1534 CB LYS A 95 18.474 0.585 15.063 1.00 0.00 C ATOM 1535 CG LYS A 95 19.360 -0.563 15.562 1.00 0.00 C ATOM 1536 CD LYS A 95 19.756 -1.466 14.377 1.00 0.00 C ATOM 1537 CE LYS A 95 19.287 -2.906 14.632 1.00 0.00 C ATOM 1538 NZ LYS A 95 19.780 -3.374 15.949 1.00 0.00 N ATOM 0 H LYS A 95 15.965 1.547 13.774 1.00 0.00 H new ATOM 0 HA LYS A 95 17.223 -1.018 14.412 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.935 1.067 14.201 1.00 0.00 H new ATOM 0 HB3 LYS A 95 18.374 1.346 15.837 1.00 0.00 H new ATOM 0 HG2 LYS A 95 20.253 -0.164 16.042 1.00 0.00 H new ATOM 0 HG3 LYS A 95 18.828 -1.146 16.314 1.00 0.00 H new ATOM 0 HD2 LYS A 95 19.311 -1.088 13.457 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.837 -1.446 14.240 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.198 -2.953 14.604 1.00 0.00 H new ATOM 0 HE3 LYS A 95 19.654 -3.562 13.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 20.021 -4.384 15.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 20.626 -2.831 16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.040 -3.235 16.666 1.00 0.00 H new ATOM 1552 N GLN A 96 16.079 1.247 16.501 1.00 0.00 N ATOM 1553 CA GLN A 96 15.149 1.493 17.595 1.00 0.00 C ATOM 1554 C GLN A 96 13.975 2.335 17.106 1.00 0.00 C ATOM 1555 O GLN A 96 13.185 2.853 17.908 1.00 0.00 O ATOM 1556 CB GLN A 96 15.859 2.211 18.756 1.00 0.00 C ATOM 1557 CG GLN A 96 17.335 1.763 18.841 1.00 0.00 C ATOM 1558 CD GLN A 96 18.246 2.785 18.154 1.00 0.00 C ATOM 1559 OE1 GLN A 96 17.809 3.897 17.827 1.00 0.00 O ATOM 1560 NE2 GLN A 96 19.480 2.480 17.911 1.00 0.00 N ATOM 0 H GLN A 96 16.689 2.036 16.287 1.00 0.00 H new ATOM 0 HA GLN A 96 14.776 0.533 17.953 1.00 0.00 H new ATOM 0 HB2 GLN A 96 15.807 3.290 18.611 1.00 0.00 H new ATOM 0 HB3 GLN A 96 15.350 1.990 19.694 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.627 1.650 19.885 1.00 0.00 H new ATOM 0 HG3 GLN A 96 17.453 0.787 18.370 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.842 1.565 18.180 1.00 0.00 H new ATOM 0 HE22 GLN A 96 20.091 3.155 17.451 1.00 0.00 H new ATOM 1569 N ASN A 97 13.924 2.557 15.798 1.00 0.00 N ATOM 1570 CA ASN A 97 12.903 3.417 15.209 1.00 0.00 C ATOM 1571 C ASN A 97 11.519 2.850 15.419 1.00 0.00 C ATOM 1572 O ASN A 97 11.274 1.662 15.194 1.00 0.00 O ATOM 1573 CB ASN A 97 13.131 3.631 13.714 1.00 0.00 C ATOM 1574 CG ASN A 97 12.320 4.834 13.232 1.00 0.00 C ATOM 1575 OD1 ASN A 97 11.334 5.225 13.870 1.00 0.00 O ATOM 1576 ND2 ASN A 97 12.673 5.455 12.153 1.00 0.00 N ATOM 0 H ASN A 97 14.576 2.154 15.125 1.00 0.00 H new ATOM 0 HA ASN A 97 12.981 4.378 15.717 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.191 3.794 13.518 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.838 2.739 13.161 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.139 6.263 11.832 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.485 5.137 11.624 1.00 0.00 H new ATOM 1583 N TYR A 98 10.617 3.717 15.809 1.00 0.00 N ATOM 1584 CA TYR A 98 9.232 3.359 16.036 1.00 0.00 C ATOM 1585 C TYR A 98 8.612 2.862 14.744 1.00 0.00 C ATOM 1586 O TYR A 98 7.923 1.840 14.727 1.00 0.00 O ATOM 1587 CB TYR A 98 8.476 4.595 16.518 1.00 0.00 C ATOM 1588 CG TYR A 98 9.099 5.073 17.806 1.00 0.00 C ATOM 1589 CD1 TYR A 98 10.196 5.944 17.758 1.00 0.00 C ATOM 1590 CD2 TYR A 98 8.593 4.655 19.041 1.00 0.00 C ATOM 1591 CE1 TYR A 98 10.786 6.392 18.940 1.00 0.00 C ATOM 1592 CE2 TYR A 98 9.187 5.107 20.225 1.00 0.00 C ATOM 1593 CZ TYR A 98 10.283 5.976 20.172 1.00 0.00 C ATOM 1594 OH TYR A 98 10.866 6.419 21.336 1.00 0.00 O ATOM 0 H TYR A 98 10.822 4.701 15.980 1.00 0.00 H new ATOM 0 HA TYR A 98 9.175 2.570 16.786 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.518 5.381 15.764 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.424 4.357 16.673 1.00 0.00 H new ATOM 0 HD1 TYR A 98 10.585 6.269 16.804 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.747 3.985 19.081 1.00 0.00 H new ATOM 0 HE1 TYR A 98 11.633 7.061 18.901 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.799 4.785 21.180 1.00 0.00 H new ATOM 0 HH TYR A 98 10.394 6.036 22.105 1.00 0.00 H new ATOM 1604 N GLN A 99 8.880 3.579 13.658 1.00 0.00 N ATOM 1605 CA GLN A 99 8.364 3.204 12.348 1.00 0.00 C ATOM 1606 C GLN A 99 9.501 2.881 11.372 1.00 0.00 C ATOM 1607 O GLN A 99 10.502 3.595 11.319 1.00 0.00 O ATOM 1608 CB GLN A 99 7.465 4.314 11.770 1.00 0.00 C ATOM 1609 CG GLN A 99 6.733 5.070 12.899 1.00 0.00 C ATOM 1610 CD GLN A 99 5.852 4.125 13.724 1.00 0.00 C ATOM 1611 OE1 GLN A 99 5.599 4.384 14.903 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.364 3.050 13.175 1.00 0.00 N ATOM 0 H GLN A 99 9.452 4.424 13.660 1.00 0.00 H new ATOM 0 HA GLN A 99 7.763 2.304 12.480 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.069 5.012 11.191 1.00 0.00 H new ATOM 0 HB3 GLN A 99 6.737 3.879 11.086 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.463 5.551 13.550 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.118 5.862 12.470 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.573 2.835 12.200 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.773 2.422 13.720 1.00 0.00 H new ATOM 1621 N PRO A 100 9.360 1.831 10.604 1.00 0.00 N ATOM 1622 CA PRO A 100 10.387 1.420 9.594 1.00 0.00 C ATOM 1623 C PRO A 100 10.453 2.363 8.384 1.00 0.00 C ATOM 1624 O PRO A 100 9.455 3.003 8.013 1.00 0.00 O ATOM 1625 CB PRO A 100 9.941 0.020 9.188 1.00 0.00 C ATOM 1626 CG PRO A 100 8.467 0.052 9.347 1.00 0.00 C ATOM 1627 CD PRO A 100 8.196 0.922 10.574 1.00 0.00 C ATOM 0 HA PRO A 100 11.396 1.452 10.004 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.227 -0.208 8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.394 -0.743 9.821 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.988 0.467 8.460 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.067 -0.953 9.485 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.259 1.470 10.480 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.127 0.326 11.484 1.00 0.00 H new ATOM 1635 N ASP A 101 11.627 2.416 7.758 1.00 0.00 N ATOM 1636 CA ASP A 101 11.857 3.246 6.573 1.00 0.00 C ATOM 1637 C ASP A 101 11.071 2.706 5.397 1.00 0.00 C ATOM 1638 O ASP A 101 11.224 1.539 5.059 1.00 0.00 O ATOM 1639 CB ASP A 101 13.343 3.217 6.200 1.00 0.00 C ATOM 1640 CG ASP A 101 13.647 4.285 5.178 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.664 5.436 5.551 1.00 0.00 O ATOM 1642 OD2 ASP A 101 13.869 3.945 4.039 1.00 0.00 O ATOM 0 H ASP A 101 12.446 1.886 8.056 1.00 0.00 H new ATOM 0 HA ASP A 101 11.540 4.264 6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.952 3.373 7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.606 2.237 5.801 1.00 0.00 H new ATOM 1647 N PHE A 102 10.316 3.564 4.713 1.00 0.00 N ATOM 1648 CA PHE A 102 9.583 3.120 3.529 1.00 0.00 C ATOM 1649 C PHE A 102 10.538 2.952 2.372 1.00 0.00 C ATOM 1650 O PHE A 102 10.845 3.916 1.663 1.00 0.00 O ATOM 1651 CB PHE A 102 8.523 4.151 3.117 1.00 0.00 C ATOM 1652 CG PHE A 102 7.481 4.324 4.194 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.851 3.208 4.747 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.135 5.607 4.624 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.877 3.375 5.729 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.160 5.775 5.609 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.529 4.661 6.164 1.00 0.00 C ATOM 0 H PHE A 102 10.197 4.549 4.951 1.00 0.00 H new ATOM 0 HA PHE A 102 9.098 2.175 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.003 5.109 2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.043 3.833 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 102 7.118 2.216 4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 102 7.622 6.470 4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.389 2.511 6.156 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.894 6.768 5.942 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.775 4.789 6.926 1.00 0.00 H new ATOM 1667 N ILE A 103 10.978 1.734 2.148 1.00 0.00 N ATOM 1668 CA ILE A 103 11.844 1.452 1.033 1.00 0.00 C ATOM 1669 C ILE A 103 11.101 1.628 -0.275 1.00 0.00 C ATOM 1670 O ILE A 103 11.576 2.305 -1.175 1.00 0.00 O ATOM 1671 CB ILE A 103 12.374 0.026 1.150 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.286 -0.068 2.365 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.175 -0.349 -0.100 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.619 -1.530 2.627 1.00 0.00 C ATOM 0 H ILE A 103 10.748 0.925 2.725 1.00 0.00 H new ATOM 0 HA ILE A 103 12.680 2.151 1.047 1.00 0.00 H new ATOM 0 HB ILE A 103 11.531 -0.657 1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.200 0.501 2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.798 0.368 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.547 -1.369 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.533 -0.280 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 103 14.017 0.335 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.272 -1.604 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.700 -2.084 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.124 -1.950 1.757 1.00 0.00 H new ATOM 1686 N ASN A 104 9.908 1.063 -0.339 1.00 0.00 N ATOM 1687 CA ASN A 104 9.075 1.118 -1.540 1.00 0.00 C ATOM 1688 C ASN A 104 7.625 1.185 -1.137 1.00 0.00 C ATOM 1689 O ASN A 104 7.228 0.594 -0.124 1.00 0.00 O ATOM 1690 CB ASN A 104 9.278 -0.149 -2.379 1.00 0.00 C ATOM 1691 CG ASN A 104 8.599 -0.006 -3.748 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.811 0.906 -3.970 1.00 0.00 O ATOM 1693 ND2 ASN A 104 8.872 -0.849 -4.684 1.00 0.00 N ATOM 0 H ASN A 104 9.485 0.552 0.436 1.00 0.00 H new ATOM 0 HA ASN A 104 9.355 1.997 -2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.343 -0.336 -2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.868 -1.010 -1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.433 -0.754 -5.600 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.527 -1.611 -4.509 1.00 0.00 H new ATOM 1700 N MET A 105 6.814 1.790 -1.972 1.00 0.00 N ATOM 1701 CA MET A 105 5.383 1.813 -1.759 1.00 0.00 C ATOM 1702 C MET A 105 4.659 2.264 -3.014 1.00 0.00 C ATOM 1703 O MET A 105 4.977 3.320 -3.588 1.00 0.00 O ATOM 1704 CB MET A 105 5.006 2.644 -0.503 1.00 0.00 C ATOM 1705 CG MET A 105 4.283 3.943 -0.877 1.00 0.00 C ATOM 1706 SD MET A 105 2.614 3.575 -1.487 1.00 0.00 S ATOM 1707 CE MET A 105 1.873 3.123 0.102 1.00 0.00 C ATOM 0 H MET A 105 7.123 2.278 -2.813 1.00 0.00 H new ATOM 0 HA MET A 105 5.048 0.796 -1.553 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.368 2.048 0.150 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.908 2.880 0.062 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.225 4.599 -0.008 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.849 4.476 -1.641 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.801 3.320 0.073 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.042 2.063 0.294 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.329 3.713 0.897 1.00 0.00 H new ATOM 1717 N TYR A 106 3.727 1.447 -3.472 1.00 0.00 N ATOM 1718 CA TYR A 106 3.007 1.741 -4.696 1.00 0.00 C ATOM 1719 C TYR A 106 1.561 1.298 -4.632 1.00 0.00 C ATOM 1720 O TYR A 106 1.191 0.424 -3.835 1.00 0.00 O ATOM 1721 CB TYR A 106 3.708 1.118 -5.912 1.00 0.00 C ATOM 1722 CG TYR A 106 3.869 -0.376 -5.737 1.00 0.00 C ATOM 1723 CD1 TYR A 106 5.014 -0.890 -5.109 1.00 0.00 C ATOM 1724 CD2 TYR A 106 2.885 -1.249 -6.214 1.00 0.00 C ATOM 1725 CE1 TYR A 106 5.169 -2.271 -4.959 1.00 0.00 C ATOM 1726 CE2 TYR A 106 3.045 -2.630 -6.060 1.00 0.00 C ATOM 1727 CZ TYR A 106 4.189 -3.136 -5.437 1.00 0.00 C ATOM 1728 OH TYR A 106 4.346 -4.498 -5.281 1.00 0.00 O ATOM 0 H TYR A 106 3.452 0.577 -3.015 1.00 0.00 H new ATOM 0 HA TYR A 106 3.010 2.825 -4.810 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.130 1.322 -6.814 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.686 1.579 -6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.776 -0.218 -4.741 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.004 -0.857 -6.700 1.00 0.00 H new ATOM 0 HE1 TYR A 106 6.048 -2.666 -4.473 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.284 -3.305 -6.423 1.00 0.00 H new ATOM 0 HH TYR A 106 3.574 -4.963 -5.667 1.00 0.00 H new ATOM 1738 N VAL A 107 0.759 1.892 -5.491 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.648 1.583 -5.582 1.00 0.00 C ATOM 1740 C VAL A 107 -0.918 0.924 -6.918 1.00 0.00 C ATOM 1741 O VAL A 107 -0.625 1.507 -7.973 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.443 2.896 -5.462 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.950 2.643 -5.557 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.120 3.566 -4.126 1.00 0.00 C ATOM 0 H VAL A 107 1.070 2.607 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.949 0.904 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.154 3.548 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.484 3.589 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.182 2.184 -6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.258 1.976 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.682 4.496 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.394 2.899 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.053 3.781 -4.076 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.513 -0.259 -6.885 1.00 0.00 N ATOM 1755 CA ASP A 108 -1.845 -0.971 -8.104 1.00 0.00 C ATOM 1756 C ASP A 108 -3.286 -0.681 -8.461 1.00 0.00 C ATOM 1757 O ASP A 108 -4.215 -1.215 -7.830 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.656 -2.489 -7.931 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.539 -3.171 -9.287 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -0.987 -2.580 -10.188 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -2.005 -4.282 -9.412 1.00 0.00 O ATOM 0 H ASP A 108 -1.775 -0.744 -6.027 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.179 -0.635 -8.899 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.761 -2.685 -7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.499 -2.906 -7.380 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.477 0.198 -9.414 1.00 0.00 N ATOM 1767 CA VAL A 109 -4.804 0.612 -9.816 1.00 0.00 C ATOM 1768 C VAL A 109 -5.241 -0.155 -11.059 1.00 0.00 C ATOM 1769 O VAL A 109 -4.498 -0.228 -12.034 1.00 0.00 O ATOM 1770 CB VAL A 109 -4.820 2.126 -10.088 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.260 2.610 -10.311 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.211 2.870 -8.886 1.00 0.00 C ATOM 0 H VAL A 109 -2.722 0.647 -9.933 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.504 0.392 -9.010 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.234 2.331 -10.984 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.258 3.683 -10.502 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.690 2.090 -11.167 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.856 2.401 -9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.222 3.943 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.796 2.656 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.183 2.539 -8.736 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.419 -0.722 -11.040 1.00 0.00 N ATOM 1783 CA PRO A 110 -6.950 -1.453 -12.228 1.00 0.00 C ATOM 1784 C PRO A 110 -7.108 -0.527 -13.430 1.00 0.00 C ATOM 1785 O PRO A 110 -7.496 0.639 -13.281 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.316 -1.964 -11.765 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.223 -2.016 -10.277 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.317 -0.861 -9.873 1.00 0.00 C ATOM 0 HA PRO A 110 -6.281 -2.250 -12.552 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.117 -1.299 -12.088 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.532 -2.948 -12.182 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.208 -1.917 -9.821 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.812 -2.969 -9.945 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.884 0.052 -9.688 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.763 -1.082 -8.961 1.00 0.00 H new ATOM 1796 N GLY A 111 -6.857 -1.053 -14.616 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.030 -0.290 -15.853 1.00 0.00 C ATOM 1798 C GLY A 111 -5.940 0.763 -16.038 1.00 0.00 C ATOM 1799 O GLY A 111 -5.506 1.020 -17.161 1.00 0.00 O ATOM 0 H GLY A 111 -6.531 -2.009 -14.755 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.022 -0.972 -16.703 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.005 0.197 -15.844 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.478 1.346 -14.940 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.417 2.359 -14.989 1.00 0.00 C ATOM 1805 C GLU A 112 -3.090 1.753 -14.566 1.00 0.00 C ATOM 1806 O GLU A 112 -3.050 0.638 -14.058 1.00 0.00 O ATOM 1807 CB GLU A 112 -4.748 3.536 -14.064 1.00 0.00 C ATOM 1808 CG GLU A 112 -5.991 4.279 -14.569 1.00 0.00 C ATOM 1809 CD GLU A 112 -5.733 4.881 -15.938 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -4.770 5.607 -16.078 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -6.502 4.614 -16.827 1.00 0.00 O ATOM 0 H GLU A 112 -5.818 1.139 -14.001 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.344 2.719 -16.015 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.920 3.173 -13.051 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.901 4.220 -14.018 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.836 3.592 -14.621 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.262 5.066 -13.865 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.003 2.485 -14.771 1.00 0.00 N ATOM 1819 CA LYS A 113 -0.695 2.008 -14.365 1.00 0.00 C ATOM 1820 C LYS A 113 -0.548 2.195 -12.864 1.00 0.00 C ATOM 1821 O LYS A 113 -1.066 3.169 -12.308 1.00 0.00 O ATOM 1822 CB LYS A 113 0.416 2.779 -15.090 1.00 0.00 C ATOM 1823 CG LYS A 113 0.126 2.841 -16.598 1.00 0.00 C ATOM 1824 CD LYS A 113 -0.326 1.466 -17.093 1.00 0.00 C ATOM 1825 CE LYS A 113 -0.027 1.313 -18.590 1.00 0.00 C ATOM 1826 NZ LYS A 113 -0.515 2.508 -19.333 1.00 0.00 N ATOM 0 H LYS A 113 -2.004 3.404 -15.213 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.605 0.953 -14.625 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.491 3.788 -14.685 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.377 2.294 -14.917 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.647 3.583 -16.799 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.019 3.157 -17.137 1.00 0.00 H new ATOM 0 HD2 LYS A 113 0.185 0.684 -16.532 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.394 1.341 -16.914 1.00 0.00 H new ATOM 0 HE2 LYS A 113 1.045 1.192 -18.744 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -0.508 0.414 -18.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -0.576 2.285 -20.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.456 2.776 -18.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 0.146 3.298 -19.192 1.00 0.00 H new ATOM 1840 N ARG A 114 0.163 1.289 -12.211 1.00 0.00 N ATOM 1841 CA ARG A 114 0.352 1.392 -10.766 1.00 0.00 C ATOM 1842 C ARG A 114 1.124 2.646 -10.424 1.00 0.00 C ATOM 1843 O ARG A 114 2.056 3.027 -11.148 1.00 0.00 O ATOM 1844 CB ARG A 114 1.082 0.175 -10.211 1.00 0.00 C ATOM 1845 CG ARG A 114 2.249 -0.217 -11.128 1.00 0.00 C ATOM 1846 CD ARG A 114 2.019 -1.627 -11.676 1.00 0.00 C ATOM 1847 NE ARG A 114 1.589 -2.533 -10.608 1.00 0.00 N ATOM 1848 CZ ARG A 114 2.446 -3.101 -9.760 1.00 0.00 C ATOM 1849 NH1 ARG A 114 3.703 -2.723 -9.740 1.00 0.00 N ATOM 1850 NH2 ARG A 114 2.016 -3.998 -8.914 1.00 0.00 N ATOM 0 H ARG A 114 0.614 0.485 -12.647 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.636 1.438 -10.308 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.455 0.393 -9.210 1.00 0.00 H new ATOM 0 HB3 ARG A 114 0.389 -0.661 -10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.334 0.494 -11.950 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.188 -0.179 -10.575 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.264 -1.599 -12.462 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.937 -2.001 -12.129 1.00 0.00 H new ATOM 0 HE ARG A 114 0.594 -2.737 -10.510 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.026 -1.993 -10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 114 4.357 -3.160 -9.090 1.00 0.00 H new ATOM 0 HH21 ARG A 114 1.030 -4.260 -8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.666 -4.437 -8.262 1.00 0.00 H new ATOM 1864 N TYR A 115 0.750 3.278 -9.336 1.00 0.00 N ATOM 1865 CA TYR A 115 1.416 4.487 -8.895 1.00 0.00 C ATOM 1866 C TYR A 115 2.391 4.156 -7.794 1.00 0.00 C ATOM 1867 O TYR A 115 2.001 3.594 -6.772 1.00 0.00 O ATOM 1868 CB TYR A 115 0.391 5.497 -8.381 1.00 0.00 C ATOM 1869 CG TYR A 115 1.027 6.862 -8.277 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.094 7.685 -9.405 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.542 7.311 -7.053 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.668 8.955 -9.314 1.00 0.00 C ATOM 1873 CE2 TYR A 115 2.119 8.584 -6.965 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.183 9.402 -8.095 1.00 0.00 C ATOM 1875 OH TYR A 115 2.738 10.660 -8.006 1.00 0.00 O ATOM 0 H TYR A 115 -0.016 2.975 -8.735 1.00 0.00 H new ATOM 0 HA TYR A 115 1.951 4.922 -9.739 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.465 5.535 -9.054 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.016 5.185 -7.406 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.701 7.338 -10.349 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.494 6.677 -6.180 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.714 9.591 -10.186 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.515 8.933 -6.023 1.00 0.00 H new ATOM 0 HH TYR A 115 2.510 11.176 -8.808 1.00 0.00 H new ATOM 1885 N TYR A 116 3.639 4.561 -7.964 1.00 0.00 N ATOM 1886 CA TYR A 116 4.636 4.334 -6.938 1.00 0.00 C ATOM 1887 C TYR A 116 4.791 5.580 -6.115 1.00 0.00 C ATOM 1888 O TYR A 116 5.513 6.509 -6.487 1.00 0.00 O ATOM 1889 CB TYR A 116 5.971 3.949 -7.576 1.00 0.00 C ATOM 1890 CG TYR A 116 5.820 2.619 -8.269 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.166 2.558 -9.499 1.00 0.00 C ATOM 1892 CD2 TYR A 116 6.332 1.451 -7.689 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.023 1.342 -10.161 1.00 0.00 C ATOM 1894 CE2 TYR A 116 6.188 0.227 -8.354 1.00 0.00 C ATOM 1895 CZ TYR A 116 5.528 0.173 -9.590 1.00 0.00 C ATOM 1896 OH TYR A 116 5.379 -1.033 -10.246 1.00 0.00 O ATOM 0 H TYR A 116 3.981 5.044 -8.795 1.00 0.00 H new ATOM 0 HA TYR A 116 4.315 3.515 -6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.281 4.712 -8.290 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.749 3.890 -6.815 1.00 0.00 H new ATOM 0 HD1 TYR A 116 4.768 3.460 -9.941 1.00 0.00 H new ATOM 0 HD2 TYR A 116 6.835 1.494 -6.734 1.00 0.00 H new ATOM 0 HE1 TYR A 116 4.521 1.303 -11.117 1.00 0.00 H new ATOM 0 HE2 TYR A 116 6.586 -0.676 -7.915 1.00 0.00 H new ATOM 0 HH TYR A 116 5.895 -1.724 -9.781 1.00 0.00 H new ATOM 1906 N LEU A 117 4.124 5.594 -4.983 1.00 0.00 N ATOM 1907 CA LEU A 117 4.197 6.711 -4.077 1.00 0.00 C ATOM 1908 C LEU A 117 5.610 6.854 -3.563 1.00 0.00 C ATOM 1909 O LEU A 117 6.169 7.951 -3.535 1.00 0.00 O ATOM 1910 CB LEU A 117 3.220 6.508 -2.922 1.00 0.00 C ATOM 1911 CG LEU A 117 3.292 7.682 -1.950 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.925 8.979 -2.672 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.324 7.439 -0.800 1.00 0.00 C ATOM 0 H LEU A 117 3.520 4.835 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 117 3.922 7.625 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.206 6.410 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.453 5.580 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 117 4.306 7.771 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.979 9.813 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.622 9.149 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.912 8.901 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.371 8.275 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.310 7.349 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.597 6.519 -0.283 1.00 0.00 H new ATOM 1925 N ILE A 118 6.203 5.732 -3.211 1.00 0.00 N ATOM 1926 CA ILE A 118 7.576 5.706 -2.755 1.00 0.00 C ATOM 1927 C ILE A 118 8.378 4.778 -3.653 1.00 0.00 C ATOM 1928 O ILE A 118 8.010 3.619 -3.840 1.00 0.00 O ATOM 1929 CB ILE A 118 7.625 5.225 -1.301 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.813 6.192 -0.427 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.076 5.183 -0.800 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.685 5.630 0.988 1.00 0.00 C ATOM 0 H ILE A 118 5.750 4.818 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 118 8.006 6.707 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 118 7.204 4.221 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.300 7.167 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.824 6.343 -0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.094 4.839 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.655 4.499 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.510 6.181 -0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.108 6.321 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.178 4.666 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.678 5.502 1.420 1.00 0.00 H new ATOM 1944 N LYS A 119 9.455 5.290 -4.224 1.00 0.00 N ATOM 1945 CA LYS A 119 10.273 4.494 -5.123 1.00 0.00 C ATOM 1946 C LYS A 119 11.410 3.839 -4.359 1.00 0.00 C ATOM 1947 O LYS A 119 12.124 4.507 -3.609 1.00 0.00 O ATOM 1948 CB LYS A 119 10.848 5.349 -6.269 1.00 0.00 C ATOM 1949 CG LYS A 119 9.896 6.499 -6.625 1.00 0.00 C ATOM 1950 CD LYS A 119 8.578 5.935 -7.179 1.00 0.00 C ATOM 1951 CE LYS A 119 8.043 6.850 -8.293 1.00 0.00 C ATOM 1952 NZ LYS A 119 8.340 8.271 -7.960 1.00 0.00 N ATOM 0 H LYS A 119 9.782 6.246 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 119 9.633 3.725 -5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.818 5.752 -5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.014 4.724 -7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.699 7.106 -5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.361 7.152 -7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.738 4.929 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.842 5.854 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.502 6.586 -9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.968 6.710 -8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.615 8.885 -8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.338 8.393 -6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.275 8.528 -8.337 1.00 0.00 H new ATOM 1966 N PRO A 120 11.631 2.573 -4.573 1.00 0.00 N ATOM 1967 CA PRO A 120 12.762 1.864 -3.919 1.00 0.00 C ATOM 1968 C PRO A 120 14.102 2.408 -4.383 1.00 0.00 C ATOM 1969 O PRO A 120 14.229 2.908 -5.499 1.00 0.00 O ATOM 1970 CB PRO A 120 12.567 0.402 -4.322 1.00 0.00 C ATOM 1971 CG PRO A 120 11.797 0.455 -5.595 1.00 0.00 C ATOM 1972 CD PRO A 120 10.915 1.699 -5.519 1.00 0.00 C ATOM 0 HA PRO A 120 12.769 1.994 -2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.524 -0.101 -4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.024 -0.150 -3.555 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.468 0.508 -6.452 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.191 -0.443 -5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 120 10.803 2.171 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 120 9.913 1.459 -5.164 1.00 0.00 H new ATOM 1980 N LYS A 121 15.087 2.364 -3.502 1.00 0.00 N ATOM 1981 CA LYS A 121 16.406 2.892 -3.817 1.00 0.00 C ATOM 1982 C LYS A 121 17.057 2.043 -4.900 1.00 0.00 C ATOM 1983 O LYS A 121 17.732 1.043 -4.600 1.00 0.00 O ATOM 1984 CB LYS A 121 17.301 2.950 -2.559 1.00 0.00 C ATOM 1985 CG LYS A 121 16.701 2.111 -1.409 1.00 0.00 C ATOM 1986 CD LYS A 121 15.565 2.889 -0.711 1.00 0.00 C ATOM 1987 CE LYS A 121 16.001 3.311 0.704 1.00 0.00 C ATOM 1988 NZ LYS A 121 17.306 4.025 0.636 1.00 0.00 N ATOM 0 H LYS A 121 15.000 1.970 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 121 16.290 3.911 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.298 2.581 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.414 3.985 -2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.318 1.168 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.479 1.864 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.304 3.770 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.671 2.268 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 121 15.245 3.957 1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 121 16.089 2.434 1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 17.429 4.606 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 18.078 3.331 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 17.323 4.637 -0.205 1.00 0.00 H new ATOM 2002 N LEU A 122 16.815 2.404 -6.153 1.00 0.00 N ATOM 2003 CA LEU A 122 17.331 1.639 -7.274 1.00 0.00 C ATOM 2004 C LEU A 122 18.584 2.273 -7.833 1.00 0.00 C ATOM 2005 O LEU A 122 18.587 3.443 -8.210 1.00 0.00 O ATOM 2006 CB LEU A 122 16.272 1.520 -8.378 1.00 0.00 C ATOM 2007 CG LEU A 122 15.021 0.813 -7.831 1.00 0.00 C ATOM 2008 CD1 LEU A 122 13.962 0.708 -8.929 1.00 0.00 C ATOM 2009 CD2 LEU A 122 15.387 -0.591 -7.343 1.00 0.00 C ATOM 0 H LEU A 122 16.265 3.222 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 122 17.579 0.642 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 122 16.008 2.510 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.676 0.961 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 122 14.624 1.393 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 122 13.078 0.206 -8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 122 13.690 1.707 -9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 122 14.361 0.136 -9.766 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.496 -1.086 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 122 15.793 -1.170 -8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 122 16.133 -0.518 -6.552 1.00 0.00 H new ATOM 2021 N HIS A 123 19.633 1.473 -7.918 1.00 0.00 N ATOM 2022 CA HIS A 123 20.921 1.883 -8.453 1.00 0.00 C ATOM 2023 C HIS A 123 21.643 0.640 -8.949 1.00 0.00 C ATOM 2024 O HIS A 123 22.228 -0.102 -8.153 1.00 0.00 O ATOM 2025 CB HIS A 123 21.756 2.568 -7.362 1.00 0.00 C ATOM 2026 CG HIS A 123 21.235 3.965 -7.118 1.00 0.00 C ATOM 2027 ND1 HIS A 123 21.095 4.894 -8.142 1.00 0.00 N ATOM 2028 CD2 HIS A 123 20.819 4.603 -5.974 1.00 0.00 C ATOM 2029 CE1 HIS A 123 20.617 6.029 -7.594 1.00 0.00 C ATOM 2030 NE2 HIS A 123 20.430 5.903 -6.273 1.00 0.00 N ATOM 0 H HIS A 123 19.613 0.501 -7.611 1.00 0.00 H new ATOM 0 HA HIS A 123 20.777 2.591 -9.269 1.00 0.00 H new ATOM 0 HB2 HIS A 123 21.712 1.988 -6.440 1.00 0.00 H new ATOM 0 HB3 HIS A 123 22.803 2.608 -7.664 1.00 0.00 H new ATOM 0 HD2 HIS A 123 20.798 4.160 -4.989 1.00 0.00 H new ATOM 0 HE1 HIS A 123 20.410 6.930 -8.152 1.00 0.00 H new ATOM 0 HE2 HIS A 123 20.078 6.609 -5.626 1.00 0.00 H new ATOM 2039 N PRO A 124 21.488 0.306 -10.201 1.00 0.00 N ATOM 2040 CA PRO A 124 22.026 -0.991 -10.743 1.00 0.00 C ATOM 2041 C PRO A 124 23.504 -1.141 -10.430 1.00 0.00 C ATOM 2042 O PRO A 124 23.928 -2.133 -9.825 1.00 0.00 O ATOM 2043 CB PRO A 124 21.832 -0.836 -12.258 1.00 0.00 C ATOM 2044 CG PRO A 124 20.707 0.128 -12.393 1.00 0.00 C ATOM 2045 CD PRO A 124 20.892 1.132 -11.264 1.00 0.00 C ATOM 0 HA PRO A 124 21.531 -1.864 -10.318 1.00 0.00 H new ATOM 0 HB2 PRO A 124 22.736 -0.461 -12.738 1.00 0.00 H new ATOM 0 HB3 PRO A 124 21.595 -1.791 -12.728 1.00 0.00 H new ATOM 0 HG2 PRO A 124 20.728 0.622 -13.364 1.00 0.00 H new ATOM 0 HG3 PRO A 124 19.745 -0.378 -12.314 1.00 0.00 H new ATOM 0 HD2 PRO A 124 21.546 1.954 -11.555 1.00 0.00 H new ATOM 0 HD3 PRO A 124 19.945 1.573 -10.953 1.00 0.00 H new ATOM 2053 N VAL A 125 24.248 -0.091 -10.708 1.00 0.00 N ATOM 2054 CA VAL A 125 25.650 0.007 -10.350 1.00 0.00 C ATOM 2055 C VAL A 125 25.981 1.468 -10.149 1.00 0.00 C ATOM 2056 O VAL A 125 25.527 2.320 -10.927 1.00 0.00 O ATOM 2057 CB VAL A 125 26.553 -0.579 -11.454 1.00 0.00 C ATOM 2058 CG1 VAL A 125 27.997 -0.674 -10.943 1.00 0.00 C ATOM 2059 CG2 VAL A 125 26.065 -1.976 -11.844 1.00 0.00 C ATOM 0 H VAL A 125 23.892 0.731 -11.196 1.00 0.00 H new ATOM 0 HA VAL A 125 25.828 -0.563 -9.438 1.00 0.00 H new ATOM 0 HB VAL A 125 26.513 0.074 -12.326 1.00 0.00 H new ATOM 0 HG11 VAL A 125 28.633 -1.088 -11.725 1.00 0.00 H new ATOM 0 HG12 VAL A 125 28.354 0.320 -10.674 1.00 0.00 H new ATOM 0 HG13 VAL A 125 28.031 -1.321 -10.067 1.00 0.00 H new ATOM 0 HG21 VAL A 125 26.709 -2.382 -12.624 1.00 0.00 H new ATOM 0 HG22 VAL A 125 26.096 -2.629 -10.972 1.00 0.00 H new ATOM 0 HG23 VAL A 125 25.042 -1.914 -12.214 1.00 0.00 H new ATOM 2069 N SER A 126 26.741 1.772 -9.124 1.00 0.00 N ATOM 2070 CA SER A 126 27.102 3.152 -8.838 1.00 0.00 C ATOM 2071 C SER A 126 25.840 3.999 -8.667 1.00 0.00 C ATOM 2072 O SER A 126 24.719 3.470 -8.685 1.00 0.00 O ATOM 2073 CB SER A 126 27.954 3.713 -9.989 1.00 0.00 C ATOM 2074 OG SER A 126 28.675 2.646 -10.623 1.00 0.00 O ATOM 0 H SER A 126 27.124 1.088 -8.471 1.00 0.00 H new ATOM 0 HA SER A 126 27.678 3.185 -7.913 1.00 0.00 H new ATOM 0 HB2 SER A 126 27.315 4.215 -10.716 1.00 0.00 H new ATOM 0 HB3 SER A 126 28.651 4.459 -9.608 1.00 0.00 H new ATOM 0 HG SER A 126 29.215 3.007 -11.357 1.00 0.00 H new ATOM 2080 N ASN A 127 26.017 5.302 -8.509 1.00 0.00 N ATOM 2081 CA ASN A 127 24.892 6.226 -8.355 1.00 0.00 C ATOM 2082 C ASN A 127 25.391 7.645 -8.135 1.00 0.00 C ATOM 2083 O ASN A 127 26.579 7.814 -7.979 1.00 0.00 O ATOM 2084 CB ASN A 127 23.968 5.805 -7.197 1.00 0.00 C ATOM 2085 CG ASN A 127 24.772 5.300 -6.003 1.00 0.00 C ATOM 2086 OD1 ASN A 127 25.016 4.032 -5.889 1.00 0.00 O flip ATOM 2087 ND2 ASN A 127 25.188 6.087 -5.148 1.00 0.00 N flip ATOM 2088 OXT ASN A 127 24.590 8.538 -8.120 1.00 0.00 O ATOM 0 H ASN A 127 26.933 5.750 -8.483 1.00 0.00 H new ATOM 0 HA ASN A 127 24.313 6.192 -9.278 1.00 0.00 H new ATOM 0 HB2 ASN A 127 23.354 6.652 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 127 23.288 5.024 -7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 127 24.996 7.085 -5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 127 25.723 5.739 -4.352 1.00 0.00 H new TER 2095 ASN A 127