USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1140 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: B 71 ASN : amide:sc= -0.291 X(o=0.059,f=-0.15) USER MOD Set 1.2: B 128 GLN : amide:sc= 0.35 K(o=0.059,f=-1.1!) USER MOD Set 2.1: B 83 GLN : amide:sc= 0.895 K(o=1,f=-3.6!) USER MOD Set 2.2: B 84 SER OG : rot -8:sc= 0.101 USER MOD Set 3.1: A 29 GLN : amide:sc= -0.429 K(o=-0.066,f=-1.9) USER MOD Set 3.2: A 30 THR OG1 : rot -11:sc= 0.364 USER MOD Set 4.1: A 17 GLN : amide:sc= 0.143 K(o=0.57,f=-2.5!) USER MOD Set 4.2: A 32 ASN : amide:sc= 0.432 K(o=0.57,f=-2.5) USER MOD Set 5.1: A 4 ASN : amide:sc= -0.796 K(o=-0.78,f=-7!) USER MOD Set 5.2: A 37 ASN : amide:sc= 0.018 X(o=-0.78,f=-1) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.187 (180deg=-0.776) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.93 (180deg=1.57) USER MOD Single : A 5 ASN : amide:sc= 0.335 K(o=0.33,f=-0.35) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= 1.19 (180deg=0.936) USER MOD Single : A 13 LYS NZ :NH3+ 179:sc= 1.3 (180deg=1.3) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= -0.0455 (180deg=-0.271) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.49) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : A 55 THR OG1 : rot -140:sc= -0.132 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 64 GLN : amide:sc= -0.567 K(o=-0.57,f=-4.5!) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 70 ASN : amide:sc= -1.09! C(o=-1.1!,f=-10!) USER MOD Single : B 73 LYS NZ :NH3+ -168:sc= -0.0102 (180deg=-0.158) USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ 160:sc= -0.0475 (180deg=-0.34) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 96 THR OG1 : rot 180:sc= -0.417 USER MOD Single : B 98 ASN : amide:sc= 0.587 K(o=0.59,f=-0.12) USER MOD Single : B 102 LYS NZ :NH3+ -173:sc=-0.00346 (180deg=-0.106) USER MOD Single : B 103 ASN : amide:sc= 0.427 K(o=0.43,f=-3.4!) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.0167 K(o=-0.017,f=-2!) USER MOD Single : B 108 SER OG : rot 56:sc= 0.719 USER MOD Single : B 110 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 TYR OH : rot 180:sc= 0 USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 ASN : amide:sc= -0.0175 K(o=-0.017,f=-0.82) USER MOD Single : B 121 THR OG1 : rot -140:sc=-0.00773 USER MOD Single : B 130 GLN : amide:sc=-0.00766 X(o=-0.0077,f=0.0078) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.929 -4.488 5.735 1.00 4.52 N ATOM 2 CA MET A 1 12.153 -5.601 6.293 1.00 15.43 C ATOM 3 C MET A 1 10.687 -5.243 6.326 1.00 54.41 C ATOM 4 O MET A 1 10.328 -4.107 6.615 1.00 33.23 O ATOM 5 CB MET A 1 12.605 -5.954 7.718 1.00 32.24 C ATOM 6 CG MET A 1 14.023 -6.471 7.829 1.00 0.23 C ATOM 7 SD MET A 1 14.461 -6.956 9.514 1.00 54.32 S ATOM 8 CE MET A 1 13.297 -8.294 9.802 1.00 74.51 C ATOM 0 H1 MET A 1 13.940 -4.637 5.930 1.00 4.52 H new ATOM 0 H2 MET A 1 12.778 -4.441 4.707 1.00 4.52 H new ATOM 0 H3 MET A 1 12.620 -3.596 6.172 1.00 4.52 H new ATOM 0 HA MET A 1 12.320 -6.466 5.651 1.00 15.43 H new ATOM 0 HB2 MET A 1 12.507 -5.067 8.344 1.00 32.24 H new ATOM 0 HB3 MET A 1 11.927 -6.706 8.122 1.00 32.24 H new ATOM 0 HG2 MET A 1 14.146 -7.327 7.166 1.00 0.23 H new ATOM 0 HG3 MET A 1 14.714 -5.701 7.486 1.00 0.23 H new ATOM 0 HE1 MET A 1 13.664 -8.929 10.609 1.00 74.51 H new ATOM 0 HE2 MET A 1 12.328 -7.880 10.079 1.00 74.51 H new ATOM 0 HE3 MET A 1 13.192 -8.887 8.893 1.00 74.51 H new ATOM 20 N ILE A 2 9.851 -6.184 6.019 1.00 22.43 N ATOM 21 CA ILE A 2 8.429 -5.987 6.112 1.00 32.41 C ATOM 22 C ILE A 2 7.905 -6.827 7.273 1.00 45.13 C ATOM 23 O ILE A 2 8.321 -7.980 7.451 1.00 32.11 O ATOM 24 CB ILE A 2 7.697 -6.364 4.777 1.00 73.54 C ATOM 25 CG1 ILE A 2 8.219 -5.503 3.599 1.00 72.41 C ATOM 26 CG2 ILE A 2 6.175 -6.231 4.905 1.00 51.03 C ATOM 27 CD1 ILE A 2 8.039 -4.002 3.780 1.00 54.01 C ATOM 0 H ILE A 2 10.129 -7.111 5.697 1.00 22.43 H new ATOM 0 HA ILE A 2 8.226 -4.931 6.288 1.00 32.41 H new ATOM 0 HB ILE A 2 7.921 -7.410 4.570 1.00 73.54 H new ATOM 0 HG12 ILE A 2 9.279 -5.713 3.455 1.00 72.41 H new ATOM 0 HG13 ILE A 2 7.706 -5.809 2.687 1.00 72.41 H new ATOM 0 HG21 ILE A 2 5.705 -6.501 3.959 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.817 -6.896 5.691 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.920 -5.202 5.156 1.00 51.03 H new ATOM 0 HD11 ILE A 2 8.433 -3.481 2.908 1.00 54.01 H new ATOM 0 HD12 ILE A 2 6.979 -3.773 3.892 1.00 54.01 H new ATOM 0 HD13 ILE A 2 8.576 -3.676 4.671 1.00 54.01 H new ATOM 39 N ILE A 3 7.047 -6.242 8.069 1.00 31.31 N ATOM 40 CA ILE A 3 6.442 -6.901 9.200 1.00 25.12 C ATOM 41 C ILE A 3 4.956 -6.952 8.918 1.00 13.31 C ATOM 42 O ILE A 3 4.358 -5.929 8.562 1.00 33.20 O ATOM 43 CB ILE A 3 6.687 -6.112 10.526 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.195 -5.951 10.791 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.005 -6.809 11.710 1.00 51.22 C ATOM 46 CD1 ILE A 3 8.523 -5.140 12.030 1.00 2.41 C ATOM 0 H ILE A 3 6.743 -5.276 7.948 1.00 31.31 H new ATOM 0 HA ILE A 3 6.875 -7.893 9.330 1.00 25.12 H new ATOM 0 HB ILE A 3 6.248 -5.120 10.415 1.00 23.21 H new ATOM 0 HG12 ILE A 3 8.644 -6.940 10.888 1.00 63.44 H new ATOM 0 HG13 ILE A 3 8.656 -5.475 9.926 1.00 63.44 H new ATOM 0 HG21 ILE A 3 6.190 -6.241 12.622 1.00 51.22 H new ATOM 0 HG22 ILE A 3 4.932 -6.866 11.529 1.00 51.22 H new ATOM 0 HG23 ILE A 3 6.408 -7.815 11.821 1.00 51.22 H new ATOM 0 HD11 ILE A 3 9.605 -5.074 12.146 1.00 2.41 H new ATOM 0 HD12 ILE A 3 8.107 -4.138 11.930 1.00 2.41 H new ATOM 0 HD13 ILE A 3 8.094 -5.625 12.907 1.00 2.41 H new ATOM 58 N ASN A 4 4.367 -8.100 9.040 1.00 20.22 N ATOM 59 CA ASN A 4 2.974 -8.279 8.713 1.00 24.23 C ATOM 60 C ASN A 4 2.169 -8.457 9.987 1.00 32.00 C ATOM 61 O ASN A 4 2.441 -9.367 10.769 1.00 60.31 O ATOM 62 CB ASN A 4 2.841 -9.523 7.825 1.00 41.35 C ATOM 63 CG ASN A 4 1.417 -9.855 7.448 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.570 -8.986 7.348 1.00 51.44 O ATOM 65 ND2 ASN A 4 1.146 -11.118 7.249 1.00 33.01 N ATOM 0 H ASN A 4 4.833 -8.945 9.369 1.00 20.22 H new ATOM 0 HA ASN A 4 2.595 -7.405 8.183 1.00 24.23 H new ATOM 0 HB2 ASN A 4 3.422 -9.372 6.915 1.00 41.35 H new ATOM 0 HB3 ASN A 4 3.278 -10.376 8.344 1.00 41.35 H new ATOM 0 HD21 ASN A 4 0.199 -11.403 7.001 1.00 33.01 H new ATOM 0 HD22 ASN A 4 1.882 -11.818 7.342 1.00 33.01 H new ATOM 72 N ASN A 5 1.176 -7.620 10.180 1.00 65.43 N ATOM 73 CA ASN A 5 0.344 -7.657 11.381 1.00 54.20 C ATOM 74 C ASN A 5 -1.085 -7.984 10.996 1.00 74.31 C ATOM 75 O ASN A 5 -2.010 -7.753 11.772 1.00 70.34 O ATOM 76 CB ASN A 5 0.355 -6.298 12.119 1.00 72.22 C ATOM 77 CG ASN A 5 1.692 -5.888 12.692 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.499 -6.721 13.099 1.00 62.01 O ATOM 79 ND2 ASN A 5 1.934 -4.596 12.742 1.00 62.53 N ATOM 0 H ASN A 5 0.915 -6.892 9.515 1.00 65.43 H new ATOM 0 HA ASN A 5 0.750 -8.420 12.045 1.00 54.20 H new ATOM 0 HB2 ASN A 5 0.021 -5.524 11.427 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.373 -6.337 12.929 1.00 72.22 H new ATOM 0 HD21 ASN A 5 2.815 -4.257 13.128 1.00 62.53 H new ATOM 0 HD22 ASN A 5 1.241 -3.933 12.395 1.00 62.53 H new ATOM 86 N LEU A 6 -1.260 -8.551 9.803 1.00 31.42 N ATOM 87 CA LEU A 6 -2.577 -8.885 9.253 1.00 41.12 C ATOM 88 C LEU A 6 -3.419 -9.700 10.249 1.00 32.41 C ATOM 89 O LEU A 6 -4.578 -9.354 10.521 1.00 15.34 O ATOM 90 CB LEU A 6 -2.394 -9.624 7.894 1.00 22.14 C ATOM 91 CG LEU A 6 -3.631 -9.881 6.991 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.535 -10.982 7.521 1.00 11.20 C ATOM 93 CD2 LEU A 6 -4.414 -8.597 6.782 1.00 33.32 C ATOM 0 H LEU A 6 -0.486 -8.794 9.184 1.00 31.42 H new ATOM 0 HA LEU A 6 -3.132 -7.964 9.075 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.674 -9.054 7.307 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -1.938 -10.591 8.107 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.251 -10.229 6.030 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.381 -11.114 6.847 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -3.974 -11.914 7.586 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -4.900 -10.708 8.511 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -5.277 -8.796 6.147 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -4.753 -8.216 7.746 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -3.775 -7.855 6.303 1.00 33.32 H new ATOM 105 N LYS A 7 -2.848 -10.763 10.803 1.00 14.34 N ATOM 106 CA LYS A 7 -3.589 -11.571 11.752 1.00 42.10 C ATOM 107 C LYS A 7 -3.877 -10.816 13.046 1.00 53.11 C ATOM 108 O LYS A 7 -4.966 -10.941 13.589 1.00 74.22 O ATOM 109 CB LYS A 7 -2.972 -12.958 12.024 1.00 5.41 C ATOM 110 CG LYS A 7 -1.589 -12.959 12.651 1.00 35.52 C ATOM 111 CD LYS A 7 -1.197 -14.355 13.119 1.00 25.45 C ATOM 112 CE LYS A 7 -2.146 -14.861 14.203 1.00 12.21 C ATOM 113 NZ LYS A 7 -1.799 -16.214 14.672 1.00 61.12 N ATOM 0 H LYS A 7 -1.896 -11.077 10.615 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.542 -11.773 11.264 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -3.646 -13.512 12.677 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -2.922 -13.503 11.081 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -0.859 -12.597 11.928 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -1.569 -12.271 13.496 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -1.208 -15.042 12.273 1.00 25.45 H new ATOM 0 HD3 LYS A 7 -0.177 -14.340 13.503 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -2.128 -14.172 15.047 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -3.165 -14.865 13.816 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -2.473 -16.510 15.406 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -1.842 -16.880 13.874 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 -0.837 -16.208 15.067 1.00 61.12 H new ATOM 127 N LEU A 8 -2.905 -10.032 13.523 1.00 3.54 N ATOM 128 CA LEU A 8 -3.050 -9.227 14.742 1.00 24.22 C ATOM 129 C LEU A 8 -4.221 -8.239 14.598 1.00 33.32 C ATOM 130 O LEU A 8 -5.050 -8.106 15.511 1.00 35.35 O ATOM 131 CB LEU A 8 -1.698 -8.505 15.057 1.00 15.15 C ATOM 132 CG LEU A 8 -1.545 -7.732 16.394 1.00 23.14 C ATOM 133 CD1 LEU A 8 -2.288 -6.402 16.395 1.00 50.24 C ATOM 134 CD2 LEU A 8 -1.993 -8.598 17.562 1.00 34.11 C ATOM 0 H LEU A 8 -1.994 -9.937 13.075 1.00 3.54 H new ATOM 0 HA LEU A 8 -3.286 -9.875 15.586 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -0.909 -9.256 15.020 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -1.506 -7.801 14.247 1.00 15.15 H new ATOM 0 HG LEU A 8 -0.486 -7.498 16.506 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -2.145 -5.906 17.355 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -1.900 -5.768 15.598 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -3.351 -6.579 16.233 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -1.879 -8.041 18.492 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -3.039 -8.874 17.430 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -1.382 -9.500 17.602 1.00 34.11 H new ATOM 146 N ILE A 9 -4.295 -7.570 13.456 1.00 72.34 N ATOM 147 CA ILE A 9 -5.396 -6.640 13.158 1.00 55.53 C ATOM 148 C ILE A 9 -6.722 -7.393 13.078 1.00 3.21 C ATOM 149 O ILE A 9 -7.765 -6.917 13.547 1.00 40.20 O ATOM 150 CB ILE A 9 -5.133 -5.760 11.875 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.221 -4.556 12.194 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.433 -5.260 11.245 1.00 15.31 C ATOM 153 CD1 ILE A 9 -2.860 -4.884 12.753 1.00 1.24 C ATOM 0 H ILE A 9 -3.604 -7.649 12.710 1.00 72.34 H new ATOM 0 HA ILE A 9 -5.454 -5.932 13.985 1.00 55.53 H new ATOM 0 HB ILE A 9 -4.630 -6.408 11.158 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.086 -3.976 11.281 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -4.738 -3.913 12.906 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.203 -4.659 10.365 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.047 -6.112 10.952 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -6.977 -4.652 11.968 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.310 -3.961 12.938 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -2.973 -5.432 13.688 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.311 -5.496 12.038 1.00 1.24 H new ATOM 165 N ARG A 10 -6.668 -8.579 12.522 1.00 23.44 N ATOM 166 CA ARG A 10 -7.826 -9.436 12.472 1.00 2.23 C ATOM 167 C ARG A 10 -8.291 -9.829 13.852 1.00 61.23 C ATOM 168 O ARG A 10 -9.458 -10.092 14.033 1.00 0.10 O ATOM 169 CB ARG A 10 -7.629 -10.650 11.589 1.00 24.15 C ATOM 170 CG ARG A 10 -7.834 -10.364 10.122 1.00 71.12 C ATOM 171 CD ARG A 10 -7.574 -11.588 9.284 1.00 32.20 C ATOM 172 NE ARG A 10 -8.316 -12.769 9.754 1.00 64.13 N ATOM 173 CZ ARG A 10 -8.120 -13.994 9.284 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.544 -14.158 8.101 1.00 64.25 N ATOM 175 NH2 ARG A 10 -8.567 -15.041 9.955 1.00 51.23 N ATOM 0 H ARG A 10 -5.829 -8.974 12.096 1.00 23.44 H new ATOM 0 HA ARG A 10 -8.616 -8.845 12.009 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -6.622 -11.039 11.738 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.322 -11.432 11.899 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -8.854 -10.017 9.956 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -7.169 -9.559 9.810 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.849 -11.380 8.250 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.507 -11.808 9.292 1.00 32.20 H new ATOM 0 HE ARG A 10 -9.019 -12.638 10.481 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -7.254 -13.345 7.558 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.391 -15.097 7.734 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -9.064 -14.908 10.836 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -8.415 -15.982 9.592 1.00 51.23 H new ATOM 189 N GLU A 11 -7.360 -9.967 14.794 1.00 3.43 N ATOM 190 CA GLU A 11 -7.697 -10.207 16.192 1.00 32.25 C ATOM 191 C GLU A 11 -8.316 -8.959 16.840 1.00 23.22 C ATOM 192 O GLU A 11 -9.116 -9.070 17.754 1.00 24.24 O ATOM 193 CB GLU A 11 -6.500 -10.685 16.987 1.00 73.21 C ATOM 194 CG GLU A 11 -5.833 -11.905 16.405 1.00 31.54 C ATOM 195 CD GLU A 11 -4.782 -12.482 17.305 1.00 75.21 C ATOM 196 OE1 GLU A 11 -4.020 -11.714 17.933 1.00 52.20 O ATOM 197 OE2 GLU A 11 -4.682 -13.726 17.394 1.00 73.43 O ATOM 0 H GLU A 11 -6.358 -9.916 14.610 1.00 3.43 H new ATOM 0 HA GLU A 11 -8.442 -11.003 16.207 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -5.770 -9.878 17.049 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -6.817 -10.907 18.006 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -6.589 -12.665 16.204 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -5.381 -11.644 15.448 1.00 31.54 H new ATOM 204 N LYS A 12 -7.857 -7.772 16.412 1.00 12.34 N ATOM 205 CA LYS A 12 -8.429 -6.484 16.862 1.00 0.30 C ATOM 206 C LYS A 12 -9.929 -6.403 16.533 1.00 41.03 C ATOM 207 O LYS A 12 -10.725 -5.850 17.310 1.00 70.21 O ATOM 208 CB LYS A 12 -7.652 -5.301 16.253 1.00 31.15 C ATOM 209 CG LYS A 12 -6.194 -5.244 16.705 1.00 63.14 C ATOM 210 CD LYS A 12 -5.382 -4.153 16.004 1.00 63.03 C ATOM 211 CE LYS A 12 -5.960 -2.769 16.219 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.048 -1.709 15.748 1.00 22.43 N ATOM 0 H LYS A 12 -7.087 -7.673 15.751 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.329 -6.424 17.946 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -7.686 -5.373 15.166 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -8.147 -4.369 16.527 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -6.162 -5.076 17.781 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -5.726 -6.211 16.519 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -4.356 -4.176 16.372 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -5.342 -4.364 14.935 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -6.912 -2.688 15.694 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -6.168 -2.624 17.279 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -5.597 -0.858 15.513 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -4.362 -1.483 16.497 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -4.541 -2.038 14.902 1.00 22.43 H new ATOM 226 N LYS A 13 -10.299 -6.944 15.401 1.00 11.23 N ATOM 227 CA LYS A 13 -11.699 -7.136 15.037 1.00 71.54 C ATOM 228 C LYS A 13 -11.949 -8.627 15.213 1.00 62.41 C ATOM 229 O LYS A 13 -11.189 -9.263 15.943 1.00 22.21 O ATOM 230 CB LYS A 13 -11.935 -6.680 13.586 1.00 24.24 C ATOM 231 CG LYS A 13 -11.673 -5.189 13.377 1.00 24.13 C ATOM 232 CD LYS A 13 -12.585 -4.345 14.265 1.00 4.22 C ATOM 233 CE LYS A 13 -12.253 -2.859 14.194 1.00 44.25 C ATOM 234 NZ LYS A 13 -12.424 -2.298 12.839 1.00 54.41 N ATOM 0 H LYS A 13 -9.640 -7.270 14.693 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.382 -6.549 15.651 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.289 -7.253 12.921 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -12.963 -6.905 13.303 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -10.630 -4.964 13.602 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -11.837 -4.930 12.331 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -13.622 -4.497 13.965 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -12.498 -4.685 15.297 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -12.891 -2.315 14.890 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.224 -2.706 14.518 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -12.201 -1.282 12.853 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -11.784 -2.784 12.179 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -13.408 -2.432 12.529 1.00 54.41 H new ATOM 248 N LYS A 14 -12.987 -9.220 14.677 1.00 71.43 N ATOM 249 CA LYS A 14 -13.046 -10.663 14.711 1.00 32.42 C ATOM 250 C LYS A 14 -13.777 -11.221 13.505 1.00 13.24 C ATOM 251 O LYS A 14 -14.989 -11.429 13.518 1.00 5.54 O ATOM 252 CB LYS A 14 -13.581 -11.216 16.058 1.00 73.24 C ATOM 253 CG LYS A 14 -14.858 -10.574 16.579 1.00 40.21 C ATOM 254 CD LYS A 14 -15.217 -11.147 17.939 1.00 43.22 C ATOM 255 CE LYS A 14 -16.431 -10.470 18.544 1.00 70.42 C ATOM 256 NZ LYS A 14 -16.203 -9.029 18.782 1.00 23.43 N ATOM 0 H LYS A 14 -13.774 -8.751 14.229 1.00 71.43 H new ATOM 0 HA LYS A 14 -12.019 -11.022 14.646 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -13.755 -12.286 15.946 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -12.803 -11.097 16.812 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -14.726 -9.495 16.654 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -15.673 -10.747 15.877 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -15.410 -12.215 17.842 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -14.368 -11.037 18.613 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -17.285 -10.596 17.879 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -16.685 -10.957 19.486 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -16.940 -8.661 19.417 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -15.270 -8.893 19.220 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -16.239 -8.518 17.877 1.00 23.43 H new ATOM 270 N ILE A 15 -13.040 -11.366 12.432 1.00 13.13 N ATOM 271 CA ILE A 15 -13.539 -11.944 11.209 1.00 43.54 C ATOM 272 C ILE A 15 -12.570 -13.048 10.832 1.00 51.30 C ATOM 273 O ILE A 15 -11.342 -12.867 10.971 1.00 65.41 O ATOM 274 CB ILE A 15 -13.582 -10.904 10.038 1.00 70.43 C ATOM 275 CG1 ILE A 15 -14.260 -9.595 10.483 1.00 24.32 C ATOM 276 CG2 ILE A 15 -14.340 -11.499 8.846 1.00 62.43 C ATOM 277 CD1 ILE A 15 -14.257 -8.498 9.433 1.00 1.24 C ATOM 0 H ILE A 15 -12.062 -11.081 12.383 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.557 -12.302 11.366 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.557 -10.676 9.746 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -15.291 -9.811 10.762 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -13.758 -9.226 11.378 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -14.368 -10.773 8.033 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -13.834 -12.403 8.508 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -15.358 -11.745 9.148 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -14.754 -7.613 9.830 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -13.229 -8.249 9.170 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -14.786 -8.843 8.545 1.00 1.24 H new ATOM 289 N SER A 16 -13.073 -14.157 10.382 1.00 2.42 N ATOM 290 CA SER A 16 -12.241 -15.264 10.043 1.00 41.31 C ATOM 291 C SER A 16 -11.934 -15.254 8.537 1.00 13.21 C ATOM 292 O SER A 16 -12.525 -14.459 7.775 1.00 35.13 O ATOM 293 CB SER A 16 -12.918 -16.540 10.490 1.00 43.33 C ATOM 294 OG SER A 16 -13.236 -16.448 11.874 1.00 71.34 O ATOM 0 H SER A 16 -14.070 -14.317 10.241 1.00 2.42 H new ATOM 0 HA SER A 16 -11.283 -15.194 10.557 1.00 41.31 H new ATOM 0 HB2 SER A 16 -13.824 -16.707 9.908 1.00 43.33 H new ATOM 0 HB3 SER A 16 -12.263 -17.393 10.312 1.00 43.33 H new ATOM 0 HG SER A 16 -13.676 -17.274 12.164 1.00 71.34 H new ATOM 300 N GLN A 17 -11.026 -16.118 8.110 1.00 45.12 N ATOM 301 CA GLN A 17 -10.553 -16.099 6.738 1.00 65.34 C ATOM 302 C GLN A 17 -11.630 -16.432 5.727 1.00 13.44 C ATOM 303 O GLN A 17 -11.657 -15.849 4.655 1.00 12.11 O ATOM 304 CB GLN A 17 -9.295 -16.939 6.501 1.00 30.22 C ATOM 305 CG GLN A 17 -9.434 -18.422 6.760 1.00 4.43 C ATOM 306 CD GLN A 17 -8.222 -19.173 6.274 1.00 53.31 C ATOM 307 OE1 GLN A 17 -8.180 -19.617 5.134 1.00 72.33 O ATOM 308 NE2 GLN A 17 -7.234 -19.299 7.105 1.00 45.23 N ATOM 0 H GLN A 17 -10.604 -16.839 8.694 1.00 45.12 H new ATOM 0 HA GLN A 17 -10.267 -15.060 6.575 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -8.977 -16.798 5.468 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -8.498 -16.552 7.136 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -9.570 -18.597 7.827 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -10.325 -18.800 6.259 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -7.308 -18.915 8.047 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -6.383 -19.782 6.816 1.00 45.23 H new ATOM 317 N SER A 18 -12.527 -17.346 6.062 1.00 55.44 N ATOM 318 CA SER A 18 -13.559 -17.750 5.140 1.00 52.11 C ATOM 319 C SER A 18 -14.501 -16.594 4.790 1.00 62.21 C ATOM 320 O SER A 18 -14.831 -16.399 3.607 1.00 10.02 O ATOM 321 CB SER A 18 -14.316 -18.944 5.700 1.00 45.03 C ATOM 322 OG SER A 18 -13.413 -20.014 5.963 1.00 21.34 O ATOM 0 H SER A 18 -12.555 -17.818 6.966 1.00 55.44 H new ATOM 0 HA SER A 18 -13.083 -18.049 4.206 1.00 52.11 H new ATOM 0 HB2 SER A 18 -14.833 -18.660 6.617 1.00 45.03 H new ATOM 0 HB3 SER A 18 -15.078 -19.267 4.991 1.00 45.03 H new ATOM 0 HG SER A 18 -13.908 -20.778 6.325 1.00 21.34 H new ATOM 328 N GLU A 19 -14.905 -15.814 5.791 1.00 50.43 N ATOM 329 CA GLU A 19 -15.774 -14.675 5.541 1.00 3.23 C ATOM 330 C GLU A 19 -15.033 -13.636 4.735 1.00 41.23 C ATOM 331 O GLU A 19 -15.593 -13.045 3.813 1.00 11.14 O ATOM 332 CB GLU A 19 -16.305 -14.019 6.825 1.00 33.34 C ATOM 333 CG GLU A 19 -16.953 -14.953 7.822 1.00 42.23 C ATOM 334 CD GLU A 19 -15.946 -15.636 8.695 1.00 44.10 C ATOM 335 OE1 GLU A 19 -15.615 -15.074 9.759 1.00 64.25 O ATOM 336 OE2 GLU A 19 -15.453 -16.727 8.331 1.00 70.32 O ATOM 0 H GLU A 19 -14.647 -15.950 6.768 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.634 -15.059 4.993 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -15.478 -13.508 7.318 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -17.031 -13.255 6.547 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -17.649 -14.391 8.445 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.537 -15.703 7.288 1.00 42.23 H new ATOM 343 N LEU A 20 -13.766 -13.424 5.073 1.00 73.22 N ATOM 344 CA LEU A 20 -12.943 -12.465 4.366 1.00 10.22 C ATOM 345 C LEU A 20 -12.735 -12.852 2.923 1.00 65.33 C ATOM 346 O LEU A 20 -12.826 -12.017 2.065 1.00 30.50 O ATOM 347 CB LEU A 20 -11.603 -12.242 5.061 1.00 32.54 C ATOM 348 CG LEU A 20 -11.660 -11.490 6.386 1.00 41.02 C ATOM 349 CD1 LEU A 20 -10.285 -11.422 7.005 1.00 52.52 C ATOM 350 CD2 LEU A 20 -12.209 -10.083 6.174 1.00 23.21 C ATOM 0 H LEU A 20 -13.291 -13.907 5.835 1.00 73.22 H new ATOM 0 HA LEU A 20 -13.489 -11.522 4.382 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -11.140 -13.213 5.236 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.950 -11.694 4.382 1.00 32.54 H new ATOM 0 HG LEU A 20 -12.325 -12.027 7.062 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -10.338 -10.883 7.951 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.916 -12.432 7.183 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -9.607 -10.902 6.328 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -12.244 -9.558 7.129 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -11.562 -9.540 5.485 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -13.214 -10.144 5.757 1.00 23.21 H new ATOM 362 N ALA A 21 -12.507 -14.125 2.662 1.00 4.44 N ATOM 363 CA ALA A 21 -12.279 -14.601 1.301 1.00 14.42 C ATOM 364 C ALA A 21 -13.458 -14.270 0.397 1.00 35.03 C ATOM 365 O ALA A 21 -13.283 -13.678 -0.673 1.00 72.55 O ATOM 366 CB ALA A 21 -12.040 -16.092 1.307 1.00 1.41 C ATOM 0 H ALA A 21 -12.474 -14.855 3.374 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.397 -14.094 0.910 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -11.871 -16.438 0.287 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -11.165 -16.318 1.916 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -12.911 -16.599 1.722 1.00 1.41 H new ATOM 372 N ALA A 22 -14.653 -14.595 0.857 1.00 4.14 N ATOM 373 CA ALA A 22 -15.867 -14.338 0.098 1.00 53.23 C ATOM 374 C ALA A 22 -16.095 -12.836 -0.058 1.00 34.22 C ATOM 375 O ALA A 22 -16.536 -12.360 -1.109 1.00 30.41 O ATOM 376 CB ALA A 22 -17.055 -14.982 0.794 1.00 24.13 C ATOM 0 H ALA A 22 -14.811 -15.041 1.760 1.00 4.14 H new ATOM 0 HA ALA A 22 -15.758 -14.772 -0.896 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -17.962 -14.787 0.222 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -16.896 -16.058 0.865 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -17.161 -14.564 1.795 1.00 24.13 H new ATOM 382 N LEU A 23 -15.757 -12.114 0.979 1.00 71.12 N ATOM 383 CA LEU A 23 -15.918 -10.681 1.044 1.00 42.20 C ATOM 384 C LEU A 23 -14.933 -9.966 0.101 1.00 63.22 C ATOM 385 O LEU A 23 -15.288 -8.992 -0.556 1.00 30.24 O ATOM 386 CB LEU A 23 -15.708 -10.243 2.498 1.00 60.54 C ATOM 387 CG LEU A 23 -15.966 -8.793 2.848 1.00 63.34 C ATOM 388 CD1 LEU A 23 -17.385 -8.415 2.489 1.00 60.14 C ATOM 389 CD2 LEU A 23 -15.730 -8.580 4.334 1.00 50.33 C ATOM 0 H LEU A 23 -15.351 -12.515 1.825 1.00 71.12 H new ATOM 0 HA LEU A 23 -16.921 -10.407 0.716 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -16.351 -10.858 3.128 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -14.678 -10.474 2.771 1.00 60.54 H new ATOM 0 HG LEU A 23 -15.283 -8.161 2.281 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -17.559 -7.370 2.745 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.540 -8.557 1.419 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -18.081 -9.045 3.043 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -15.916 -7.536 4.586 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -16.406 -9.217 4.905 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -14.699 -8.834 4.579 1.00 50.33 H new ATOM 401 N LEU A 24 -13.715 -10.475 0.024 1.00 61.11 N ATOM 402 CA LEU A 24 -12.661 -9.890 -0.811 1.00 33.50 C ATOM 403 C LEU A 24 -12.743 -10.389 -2.253 1.00 13.04 C ATOM 404 O LEU A 24 -11.941 -9.971 -3.096 1.00 54.12 O ATOM 405 CB LEU A 24 -11.283 -10.264 -0.251 1.00 1.13 C ATOM 406 CG LEU A 24 -10.986 -9.876 1.196 1.00 1.25 C ATOM 407 CD1 LEU A 24 -9.645 -10.439 1.620 1.00 24.05 C ATOM 408 CD2 LEU A 24 -11.011 -8.375 1.376 1.00 43.42 C ATOM 0 H LEU A 24 -13.421 -11.307 0.537 1.00 61.11 H new ATOM 0 HA LEU A 24 -12.802 -8.809 -0.801 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -11.164 -11.344 -0.342 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.525 -9.805 -0.886 1.00 1.13 H new ATOM 0 HG LEU A 24 -11.765 -10.300 1.830 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -9.442 -10.157 2.653 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -9.664 -11.526 1.538 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -8.862 -10.040 0.975 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -10.796 -8.130 2.416 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -10.259 -7.919 0.733 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -11.996 -7.993 1.109 1.00 43.42 H new ATOM 420 N GLU A 25 -13.686 -11.305 -2.514 1.00 45.33 N ATOM 421 CA GLU A 25 -13.904 -11.900 -3.846 1.00 22.43 C ATOM 422 C GLU A 25 -12.700 -12.749 -4.271 1.00 63.31 C ATOM 423 O GLU A 25 -12.350 -12.819 -5.465 1.00 72.53 O ATOM 424 CB GLU A 25 -14.192 -10.824 -4.912 1.00 34.10 C ATOM 425 CG GLU A 25 -15.431 -9.991 -4.658 1.00 74.02 C ATOM 426 CD GLU A 25 -15.694 -9.016 -5.777 1.00 63.23 C ATOM 427 OE1 GLU A 25 -15.115 -7.897 -5.776 1.00 54.24 O ATOM 428 OE2 GLU A 25 -16.495 -9.343 -6.688 1.00 73.13 O ATOM 0 H GLU A 25 -14.326 -11.659 -1.803 1.00 45.33 H new ATOM 0 HA GLU A 25 -14.781 -12.543 -3.769 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -13.331 -10.158 -4.977 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -14.292 -11.312 -5.882 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -16.292 -10.649 -4.540 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -15.316 -9.446 -3.721 1.00 74.02 H new ATOM 435 N VAL A 26 -12.090 -13.420 -3.315 1.00 33.53 N ATOM 436 CA VAL A 26 -10.930 -14.256 -3.568 1.00 2.41 C ATOM 437 C VAL A 26 -11.119 -15.590 -2.867 1.00 32.32 C ATOM 438 O VAL A 26 -12.080 -15.774 -2.134 1.00 23.34 O ATOM 439 CB VAL A 26 -9.602 -13.598 -3.068 1.00 63.23 C ATOM 440 CG1 VAL A 26 -9.291 -12.319 -3.833 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.654 -13.324 -1.567 1.00 4.10 C ATOM 0 H VAL A 26 -12.384 -13.402 -2.338 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.846 -14.389 -4.647 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.797 -14.308 -3.259 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.362 -11.889 -3.460 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -9.185 -12.546 -4.894 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -10.103 -11.605 -3.694 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.717 -12.867 -1.248 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.481 -12.648 -1.349 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.801 -14.262 -1.031 1.00 4.10 H new ATOM 451 N SER A 27 -10.232 -16.505 -3.087 1.00 35.42 N ATOM 452 CA SER A 27 -10.297 -17.779 -2.427 1.00 0.14 C ATOM 453 C SER A 27 -9.689 -17.659 -1.022 1.00 54.44 C ATOM 454 O SER A 27 -8.943 -16.700 -0.738 1.00 24.14 O ATOM 455 CB SER A 27 -9.541 -18.817 -3.259 1.00 23.34 C ATOM 456 OG SER A 27 -10.043 -18.858 -4.589 1.00 1.11 O ATOM 0 H SER A 27 -9.444 -16.397 -3.725 1.00 35.42 H new ATOM 0 HA SER A 27 -11.335 -18.097 -2.329 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.478 -18.575 -3.273 1.00 23.34 H new ATOM 0 HB3 SER A 27 -9.638 -19.800 -2.798 1.00 23.34 H new ATOM 0 HG SER A 27 -9.546 -19.526 -5.106 1.00 1.11 H new ATOM 462 N ARG A 28 -9.996 -18.608 -0.148 1.00 33.45 N ATOM 463 CA ARG A 28 -9.447 -18.626 1.213 1.00 2.32 C ATOM 464 C ARG A 28 -7.938 -18.738 1.173 1.00 72.10 C ATOM 465 O ARG A 28 -7.248 -18.193 2.017 1.00 61.25 O ATOM 466 CB ARG A 28 -10.061 -19.750 2.029 1.00 73.14 C ATOM 467 CG ARG A 28 -11.536 -19.543 2.321 1.00 54.32 C ATOM 468 CD ARG A 28 -12.140 -20.765 2.955 1.00 53.33 C ATOM 469 NE ARG A 28 -12.101 -21.911 2.050 1.00 21.14 N ATOM 470 CZ ARG A 28 -11.891 -23.178 2.423 1.00 13.43 C ATOM 471 NH1 ARG A 28 -11.610 -23.471 3.689 1.00 20.31 N ATOM 472 NH2 ARG A 28 -11.966 -24.143 1.521 1.00 44.34 N ATOM 0 H ARG A 28 -10.626 -19.383 -0.354 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.703 -17.686 1.701 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -9.932 -20.691 1.494 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -9.521 -19.843 2.971 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -11.662 -18.686 2.983 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -12.064 -19.311 1.396 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -11.601 -21.005 3.872 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -13.172 -20.558 3.237 1.00 53.33 H new ATOM 0 HE ARG A 28 -12.245 -21.731 1.056 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -11.553 -22.727 4.384 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -11.451 -24.440 3.965 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -12.183 -23.918 0.550 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -11.807 -25.112 1.797 1.00 44.34 H new ATOM 486 N GLN A 29 -7.446 -19.384 0.132 1.00 63.51 N ATOM 487 CA GLN A 29 -6.022 -19.509 -0.140 1.00 73.10 C ATOM 488 C GLN A 29 -5.372 -18.132 -0.276 1.00 21.43 C ATOM 489 O GLN A 29 -4.233 -17.927 0.142 1.00 63.01 O ATOM 490 CB GLN A 29 -5.855 -20.354 -1.432 1.00 14.11 C ATOM 491 CG GLN A 29 -4.468 -20.382 -2.104 1.00 34.33 C ATOM 492 CD GLN A 29 -4.177 -19.156 -2.978 1.00 13.43 C ATOM 493 OE1 GLN A 29 -5.098 -18.529 -3.524 1.00 35.21 O ATOM 494 NE2 GLN A 29 -2.928 -18.823 -3.135 1.00 24.53 N ATOM 0 H GLN A 29 -8.034 -19.846 -0.562 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.519 -20.008 0.688 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -6.133 -21.381 -1.197 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -6.574 -19.989 -2.165 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -3.702 -20.456 -1.332 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -4.390 -21.280 -2.717 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -2.195 -19.360 -2.672 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -2.683 -18.025 -3.721 1.00 24.53 H new ATOM 503 N THR A 30 -6.097 -17.197 -0.825 1.00 21.22 N ATOM 504 CA THR A 30 -5.579 -15.888 -1.031 1.00 0.23 C ATOM 505 C THR A 30 -5.448 -15.138 0.313 1.00 24.14 C ATOM 506 O THR A 30 -4.371 -14.650 0.641 1.00 5.35 O ATOM 507 CB THR A 30 -6.472 -15.140 -2.026 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.618 -15.964 -3.208 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.866 -13.798 -2.413 1.00 50.43 C ATOM 0 H THR A 30 -7.059 -17.328 -1.138 1.00 21.22 H new ATOM 0 HA THR A 30 -4.577 -15.950 -1.456 1.00 0.23 H new ATOM 0 HB THR A 30 -7.440 -14.947 -1.563 1.00 71.41 H new ATOM 0 HG1 THR A 30 -5.986 -16.712 -3.166 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.524 -13.292 -3.120 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.748 -13.181 -1.522 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.892 -13.958 -2.875 1.00 50.43 H new ATOM 517 N ILE A 31 -6.522 -15.108 1.106 1.00 3.24 N ATOM 518 CA ILE A 31 -6.487 -14.426 2.407 1.00 15.23 C ATOM 519 C ILE A 31 -5.543 -15.140 3.404 1.00 54.43 C ATOM 520 O ILE A 31 -4.796 -14.483 4.139 1.00 12.25 O ATOM 521 CB ILE A 31 -7.925 -14.207 3.009 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.879 -13.497 4.376 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.708 -15.502 3.102 1.00 12.10 C ATOM 524 CD1 ILE A 31 -7.299 -12.096 4.331 1.00 15.23 C ATOM 0 H ILE A 31 -7.417 -15.541 0.877 1.00 3.24 H new ATOM 0 HA ILE A 31 -6.074 -13.433 2.229 1.00 15.23 H new ATOM 0 HB ILE A 31 -8.450 -13.552 2.313 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.890 -13.447 4.781 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -7.289 -14.100 5.066 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.693 -15.302 3.523 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.819 -15.932 2.107 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -8.175 -16.204 3.743 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -7.303 -11.668 5.333 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -6.275 -12.138 3.959 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.901 -11.474 3.669 1.00 15.23 H new ATOM 536 N ASN A 32 -5.553 -16.469 3.389 1.00 30.33 N ATOM 537 CA ASN A 32 -4.656 -17.273 4.239 1.00 60.42 C ATOM 538 C ASN A 32 -3.209 -17.005 3.848 1.00 3.24 C ATOM 539 O ASN A 32 -2.306 -16.952 4.696 1.00 13.11 O ATOM 540 CB ASN A 32 -4.980 -18.777 4.126 1.00 64.50 C ATOM 541 CG ASN A 32 -4.121 -19.649 5.036 1.00 24.43 C ATOM 542 OD1 ASN A 32 -4.452 -19.856 6.209 1.00 33.15 O ATOM 543 ND2 ASN A 32 -3.054 -20.212 4.505 1.00 74.02 N ATOM 0 H ASN A 32 -6.173 -17.022 2.797 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.807 -16.982 5.279 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -6.031 -18.935 4.369 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.841 -19.095 3.093 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -2.476 -20.838 5.065 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -2.807 -20.022 3.534 1.00 74.02 H new ATOM 550 N GLY A 33 -2.995 -16.832 2.552 1.00 32.15 N ATOM 551 CA GLY A 33 -1.691 -16.508 2.031 1.00 62.40 C ATOM 552 C GLY A 33 -1.205 -15.155 2.512 1.00 51.22 C ATOM 553 O GLY A 33 0.006 -14.941 2.667 1.00 73.51 O ATOM 0 H GLY A 33 -3.722 -16.914 1.841 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.979 -17.277 2.333 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.724 -16.514 0.942 1.00 62.40 H new ATOM 557 N ILE A 34 -2.134 -14.229 2.712 1.00 55.13 N ATOM 558 CA ILE A 34 -1.817 -12.905 3.237 1.00 14.23 C ATOM 559 C ILE A 34 -1.402 -13.015 4.710 1.00 12.31 C ATOM 560 O ILE A 34 -0.458 -12.357 5.141 1.00 62.21 O ATOM 561 CB ILE A 34 -3.027 -11.916 3.113 1.00 13.40 C ATOM 562 CG1 ILE A 34 -3.511 -11.801 1.658 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.669 -10.532 3.657 1.00 62.42 C ATOM 564 CD1 ILE A 34 -2.478 -11.264 0.690 1.00 51.13 C ATOM 0 H ILE A 34 -3.125 -14.372 2.516 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.996 -12.507 2.641 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.839 -12.326 3.714 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.832 -12.785 1.317 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -4.387 -11.153 1.631 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.528 -9.868 3.557 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.394 -10.614 4.709 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.829 -10.126 3.093 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -2.907 -11.218 -0.311 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -2.173 -10.265 1.001 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -1.610 -11.923 0.682 1.00 51.13 H new ATOM 576 N GLU A 35 -2.091 -13.877 5.461 1.00 42.35 N ATOM 577 CA GLU A 35 -1.797 -14.089 6.892 1.00 14.13 C ATOM 578 C GLU A 35 -0.366 -14.537 7.141 1.00 62.12 C ATOM 579 O GLU A 35 0.244 -14.145 8.134 1.00 33.44 O ATOM 580 CB GLU A 35 -2.723 -15.138 7.487 1.00 72.22 C ATOM 581 CG GLU A 35 -4.174 -14.752 7.539 1.00 22.14 C ATOM 582 CD GLU A 35 -5.005 -15.821 8.193 1.00 2.35 C ATOM 583 OE1 GLU A 35 -4.704 -16.198 9.348 1.00 12.42 O ATOM 584 OE2 GLU A 35 -6.014 -16.250 7.604 1.00 14.03 O ATOM 0 H GLU A 35 -2.861 -14.445 5.106 1.00 42.35 H new ATOM 0 HA GLU A 35 -1.950 -13.121 7.369 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.628 -16.056 6.906 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.387 -15.365 8.499 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.284 -13.817 8.089 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.540 -14.572 6.528 1.00 22.14 H new ATOM 591 N LYS A 36 0.168 -15.335 6.258 1.00 72.42 N ATOM 592 CA LYS A 36 1.539 -15.798 6.418 1.00 3.42 C ATOM 593 C LYS A 36 2.464 -14.997 5.514 1.00 64.33 C ATOM 594 O LYS A 36 3.653 -15.311 5.390 1.00 74.05 O ATOM 595 CB LYS A 36 1.646 -17.300 6.100 1.00 71.34 C ATOM 596 CG LYS A 36 0.691 -18.188 6.908 1.00 73.40 C ATOM 597 CD LYS A 36 0.927 -18.092 8.412 1.00 3.32 C ATOM 598 CE LYS A 36 2.262 -18.680 8.826 1.00 11.20 C ATOM 599 NZ LYS A 36 2.501 -18.519 10.276 1.00 30.21 N ATOM 0 H LYS A 36 -0.310 -15.681 5.426 1.00 72.42 H new ATOM 0 HA LYS A 36 1.840 -15.648 7.455 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.450 -17.449 5.038 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.670 -17.626 6.284 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.338 -17.903 6.687 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.810 -19.224 6.591 1.00 73.40 H new ATOM 0 HD2 LYS A 36 0.883 -17.047 8.718 1.00 3.32 H new ATOM 0 HD3 LYS A 36 0.126 -18.612 8.937 1.00 3.32 H new ATOM 0 HE2 LYS A 36 2.290 -19.738 8.567 1.00 11.20 H new ATOM 0 HE3 LYS A 36 3.063 -18.194 8.268 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 3.423 -18.932 10.524 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 2.499 -17.508 10.518 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 1.750 -19.004 10.808 1.00 30.21 H new ATOM 613 N ASN A 37 1.886 -13.942 4.894 1.00 21.34 N ATOM 614 CA ASN A 37 2.549 -13.041 3.918 1.00 41.10 C ATOM 615 C ASN A 37 3.346 -13.821 2.885 1.00 30.41 C ATOM 616 O ASN A 37 4.356 -13.362 2.359 1.00 2.25 O ATOM 617 CB ASN A 37 3.380 -11.891 4.580 1.00 42.23 C ATOM 618 CG ASN A 37 4.596 -12.320 5.391 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.501 -12.567 6.593 1.00 64.43 O ATOM 620 ND2 ASN A 37 5.736 -12.387 4.753 1.00 15.22 N ATOM 0 H ASN A 37 0.914 -13.685 5.064 1.00 21.34 H new ATOM 0 HA ASN A 37 1.744 -12.531 3.388 1.00 41.10 H new ATOM 0 HB2 ASN A 37 3.714 -11.214 3.794 1.00 42.23 H new ATOM 0 HB3 ASN A 37 2.718 -11.321 5.231 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.585 -12.651 5.252 1.00 15.22 H new ATOM 0 HD22 ASN A 37 5.776 -12.175 3.756 1.00 15.22 H new ATOM 627 N LYS A 38 2.764 -14.927 2.482 1.00 23.05 N ATOM 628 CA LYS A 38 3.384 -15.881 1.597 1.00 71.21 C ATOM 629 C LYS A 38 2.960 -15.525 0.191 1.00 63.12 C ATOM 630 O LYS A 38 3.636 -15.817 -0.788 1.00 54.40 O ATOM 631 CB LYS A 38 2.865 -17.280 1.969 1.00 54.41 C ATOM 632 CG LYS A 38 3.423 -18.446 1.156 1.00 51.33 C ATOM 633 CD LYS A 38 2.768 -19.760 1.582 1.00 14.11 C ATOM 634 CE LYS A 38 1.269 -19.749 1.292 1.00 53.22 C ATOM 635 NZ LYS A 38 0.571 -20.923 1.861 1.00 30.43 N ATOM 0 H LYS A 38 1.822 -15.193 2.769 1.00 23.05 H new ATOM 0 HA LYS A 38 4.471 -15.868 1.674 1.00 71.21 H new ATOM 0 HB2 LYS A 38 3.087 -17.459 3.021 1.00 54.41 H new ATOM 0 HB3 LYS A 38 1.780 -17.281 1.868 1.00 54.41 H new ATOM 0 HG2 LYS A 38 3.247 -18.273 0.094 1.00 51.33 H new ATOM 0 HG3 LYS A 38 4.502 -18.510 1.294 1.00 51.33 H new ATOM 0 HD2 LYS A 38 3.237 -20.591 1.055 1.00 14.11 H new ATOM 0 HD3 LYS A 38 2.934 -19.924 2.647 1.00 14.11 H new ATOM 0 HE2 LYS A 38 0.831 -18.838 1.699 1.00 53.22 H new ATOM 0 HE3 LYS A 38 1.111 -19.725 0.214 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 -0.443 -20.867 1.636 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 0.968 -21.794 1.454 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 0.696 -20.935 2.893 1.00 30.43 H new ATOM 649 N TYR A 39 1.825 -14.864 0.127 1.00 74.05 N ATOM 650 CA TYR A 39 1.216 -14.440 -1.103 1.00 12.53 C ATOM 651 C TYR A 39 1.912 -13.203 -1.657 1.00 13.41 C ATOM 652 O TYR A 39 1.921 -12.986 -2.867 1.00 2.12 O ATOM 653 CB TYR A 39 -0.248 -14.114 -0.796 1.00 73.50 C ATOM 654 CG TYR A 39 -1.115 -13.825 -1.986 1.00 32.23 C ATOM 655 CD1 TYR A 39 -1.691 -14.858 -2.679 1.00 62.14 C ATOM 656 CD2 TYR A 39 -1.379 -12.522 -2.395 1.00 33.20 C ATOM 657 CE1 TYR A 39 -2.512 -14.622 -3.756 1.00 3.04 C ATOM 658 CE2 TYR A 39 -2.194 -12.271 -3.474 1.00 1.32 C ATOM 659 CZ TYR A 39 -2.760 -13.325 -4.152 1.00 33.11 C ATOM 660 OH TYR A 39 -3.599 -13.085 -5.212 1.00 24.32 O ATOM 0 H TYR A 39 1.290 -14.602 0.955 1.00 74.05 H new ATOM 0 HA TYR A 39 1.298 -15.228 -1.852 1.00 12.53 H new ATOM 0 HB2 TYR A 39 -0.681 -14.952 -0.250 1.00 73.50 H new ATOM 0 HB3 TYR A 39 -0.277 -13.251 -0.131 1.00 73.50 H new ATOM 0 HD1 TYR A 39 -1.496 -15.875 -2.373 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -0.938 -11.696 -1.858 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -2.960 -15.448 -4.289 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -2.388 -11.255 -3.786 1.00 1.32 H new ATOM 0 HH TYR A 39 -3.669 -12.119 -5.362 1.00 24.32 H new ATOM 670 N ASN A 40 2.527 -12.434 -0.754 1.00 43.42 N ATOM 671 CA ASN A 40 3.114 -11.116 -1.066 1.00 41.25 C ATOM 672 C ASN A 40 1.995 -10.173 -1.536 1.00 40.41 C ATOM 673 O ASN A 40 1.648 -10.123 -2.720 1.00 21.44 O ATOM 674 CB ASN A 40 4.262 -11.204 -2.095 1.00 44.44 C ATOM 675 CG ASN A 40 4.953 -9.872 -2.345 1.00 2.30 C ATOM 676 OD1 ASN A 40 4.564 -9.101 -3.225 1.00 64.13 O ATOM 677 ND2 ASN A 40 5.975 -9.591 -1.583 1.00 53.45 N ATOM 0 H ASN A 40 2.635 -12.705 0.223 1.00 43.42 H new ATOM 0 HA ASN A 40 3.569 -10.716 -0.160 1.00 41.25 H new ATOM 0 HB2 ASN A 40 4.999 -11.927 -1.745 1.00 44.44 H new ATOM 0 HB3 ASN A 40 3.867 -11.582 -3.038 1.00 44.44 H new ATOM 0 HD21 ASN A 40 6.477 -8.712 -1.707 1.00 53.45 H new ATOM 0 HD22 ASN A 40 6.272 -10.251 -0.864 1.00 53.45 H new ATOM 684 N PRO A 41 1.384 -9.453 -0.588 1.00 2.41 N ATOM 685 CA PRO A 41 0.190 -8.644 -0.842 1.00 33.40 C ATOM 686 C PRO A 41 0.416 -7.444 -1.758 1.00 61.13 C ATOM 687 O PRO A 41 1.214 -6.545 -1.451 1.00 2.50 O ATOM 688 CB PRO A 41 -0.238 -8.163 0.559 1.00 23.24 C ATOM 689 CG PRO A 41 0.552 -8.990 1.517 1.00 52.51 C ATOM 690 CD PRO A 41 1.820 -9.336 0.809 1.00 12.41 C ATOM 0 HA PRO A 41 -0.557 -9.239 -1.367 1.00 33.40 H new ATOM 0 HB2 PRO A 41 -0.030 -7.101 0.691 1.00 23.24 H new ATOM 0 HB3 PRO A 41 -1.309 -8.299 0.712 1.00 23.24 H new ATOM 0 HG2 PRO A 41 0.755 -8.438 2.435 1.00 52.51 H new ATOM 0 HG3 PRO A 41 0.005 -9.889 1.800 1.00 52.51 H new ATOM 0 HD2 PRO A 41 2.578 -8.563 0.934 1.00 12.41 H new ATOM 0 HD3 PRO A 41 2.250 -10.267 1.179 1.00 12.41 H new ATOM 698 N SER A 42 -0.264 -7.457 -2.888 1.00 32.11 N ATOM 699 CA SER A 42 -0.300 -6.329 -3.784 1.00 31.54 C ATOM 700 C SER A 42 -1.225 -5.277 -3.137 1.00 35.33 C ATOM 701 O SER A 42 -2.080 -5.649 -2.313 1.00 31.14 O ATOM 702 CB SER A 42 -0.856 -6.799 -5.122 1.00 33.24 C ATOM 703 OG SER A 42 -0.186 -7.985 -5.547 1.00 63.24 O ATOM 0 H SER A 42 -0.809 -8.258 -3.208 1.00 32.11 H new ATOM 0 HA SER A 42 0.687 -5.899 -3.955 1.00 31.54 H new ATOM 0 HB2 SER A 42 -1.925 -6.989 -5.033 1.00 33.24 H new ATOM 0 HB3 SER A 42 -0.733 -6.016 -5.870 1.00 33.24 H new ATOM 0 HG SER A 42 -0.553 -8.278 -6.407 1.00 63.24 H new ATOM 709 N LEU A 43 -1.108 -4.007 -3.519 1.00 41.22 N ATOM 710 CA LEU A 43 -1.820 -2.944 -2.807 1.00 3.42 C ATOM 711 C LEU A 43 -3.335 -3.083 -2.906 1.00 71.35 C ATOM 712 O LEU A 43 -3.999 -3.053 -1.893 1.00 31.14 O ATOM 713 CB LEU A 43 -1.301 -1.525 -3.205 1.00 34.44 C ATOM 714 CG LEU A 43 -1.842 -0.279 -2.418 1.00 23.40 C ATOM 715 CD1 LEU A 43 -3.247 0.129 -2.859 1.00 22.03 C ATOM 716 CD2 LEU A 43 -1.813 -0.529 -0.899 1.00 44.53 C ATOM 0 H LEU A 43 -0.538 -3.691 -4.303 1.00 41.22 H new ATOM 0 HA LEU A 43 -1.590 -3.064 -1.748 1.00 3.42 H new ATOM 0 HB2 LEU A 43 -0.215 -1.531 -3.110 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -1.527 -1.374 -4.260 1.00 34.44 H new ATOM 0 HG LEU A 43 -1.174 0.549 -2.654 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -3.572 0.995 -2.283 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -3.237 0.382 -3.919 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -3.936 -0.698 -2.690 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -2.193 0.350 -0.378 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -2.437 -1.390 -0.660 1.00 44.53 H new ATOM 0 HD23 LEU A 43 -0.789 -0.724 -0.582 1.00 44.53 H new ATOM 728 N GLN A 44 -3.871 -3.271 -4.107 1.00 2.30 N ATOM 729 CA GLN A 44 -5.331 -3.399 -4.296 1.00 25.44 C ATOM 730 C GLN A 44 -5.914 -4.539 -3.433 1.00 14.52 C ATOM 731 O GLN A 44 -6.936 -4.371 -2.763 1.00 12.34 O ATOM 732 CB GLN A 44 -5.632 -3.623 -5.792 1.00 43.20 C ATOM 733 CG GLN A 44 -7.113 -3.734 -6.160 1.00 23.12 C ATOM 734 CD GLN A 44 -7.930 -2.514 -5.763 1.00 1.11 C ATOM 735 OE1 GLN A 44 -7.429 -1.394 -5.701 1.00 21.35 O ATOM 736 NE2 GLN A 44 -9.197 -2.715 -5.549 1.00 45.30 N ATOM 0 H GLN A 44 -3.328 -3.339 -4.968 1.00 2.30 H new ATOM 0 HA GLN A 44 -5.811 -2.477 -3.968 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -5.196 -2.800 -6.359 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -5.127 -4.534 -6.113 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -7.201 -3.886 -7.236 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -7.534 -4.616 -5.677 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -9.581 -3.658 -5.608 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -9.807 -1.930 -5.322 1.00 45.30 H new ATOM 745 N LEU A 45 -5.239 -5.676 -3.443 1.00 33.52 N ATOM 746 CA LEU A 45 -5.646 -6.832 -2.644 1.00 33.42 C ATOM 747 C LEU A 45 -5.568 -6.533 -1.146 1.00 12.12 C ATOM 748 O LEU A 45 -6.481 -6.852 -0.400 1.00 53.21 O ATOM 749 CB LEU A 45 -4.807 -8.094 -2.981 1.00 75.22 C ATOM 750 CG LEU A 45 -5.000 -8.742 -4.376 1.00 12.11 C ATOM 751 CD1 LEU A 45 -6.461 -9.086 -4.630 1.00 72.44 C ATOM 752 CD2 LEU A 45 -4.432 -7.881 -5.502 1.00 1.23 C ATOM 0 H LEU A 45 -4.398 -5.829 -4.000 1.00 33.52 H new ATOM 0 HA LEU A 45 -6.685 -7.038 -2.902 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -3.754 -7.833 -2.876 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -5.024 -8.851 -2.228 1.00 75.22 H new ATOM 0 HG LEU A 45 -4.430 -9.671 -4.371 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -6.562 -9.539 -5.616 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -6.807 -9.788 -3.871 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -7.062 -8.178 -4.584 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -4.593 -8.380 -6.458 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.934 -6.913 -5.509 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -3.363 -7.735 -5.344 1.00 1.23 H new ATOM 764 N ALA A 46 -4.502 -5.880 -0.736 1.00 72.35 N ATOM 765 CA ALA A 46 -4.282 -5.556 0.667 1.00 41.10 C ATOM 766 C ALA A 46 -5.248 -4.480 1.154 1.00 44.34 C ATOM 767 O ALA A 46 -5.770 -4.554 2.269 1.00 24.52 O ATOM 768 CB ALA A 46 -2.842 -5.118 0.894 1.00 4.33 C ATOM 0 H ALA A 46 -3.762 -5.557 -1.360 1.00 72.35 H new ATOM 0 HA ALA A 46 -4.472 -6.459 1.247 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -2.696 -4.880 1.948 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -2.167 -5.924 0.607 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -2.631 -4.236 0.290 1.00 4.33 H new ATOM 774 N LEU A 47 -5.502 -3.499 0.307 1.00 33.43 N ATOM 775 CA LEU A 47 -6.327 -2.359 0.652 1.00 23.45 C ATOM 776 C LEU A 47 -7.766 -2.764 0.934 1.00 50.21 C ATOM 777 O LEU A 47 -8.384 -2.238 1.855 1.00 21.23 O ATOM 778 CB LEU A 47 -6.221 -1.257 -0.441 1.00 32.41 C ATOM 779 CG LEU A 47 -6.916 0.100 -0.174 1.00 61.44 C ATOM 780 CD1 LEU A 47 -8.423 0.053 -0.446 1.00 11.43 C ATOM 781 CD2 LEU A 47 -6.646 0.548 1.261 1.00 70.53 C ATOM 0 H LEU A 47 -5.138 -3.472 -0.646 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.947 -1.935 1.582 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -5.163 -1.062 -0.617 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -6.628 -1.664 -1.367 1.00 32.41 H new ATOM 0 HG LEU A 47 -6.494 0.825 -0.870 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -8.860 1.031 -0.243 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -8.596 -0.212 -1.489 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -8.886 -0.693 0.200 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -7.138 1.504 1.442 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -7.035 -0.198 1.954 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -5.572 0.658 1.412 1.00 70.53 H new ATOM 793 N LYS A 48 -8.298 -3.704 0.181 1.00 52.33 N ATOM 794 CA LYS A 48 -9.660 -4.121 0.442 1.00 54.10 C ATOM 795 C LYS A 48 -9.773 -4.810 1.796 1.00 25.41 C ATOM 796 O LYS A 48 -10.756 -4.626 2.510 1.00 42.33 O ATOM 797 CB LYS A 48 -10.292 -4.921 -0.702 1.00 63.32 C ATOM 798 CG LYS A 48 -9.519 -6.137 -1.179 1.00 23.52 C ATOM 799 CD LYS A 48 -10.289 -6.856 -2.275 1.00 64.34 C ATOM 800 CE LYS A 48 -10.543 -5.939 -3.465 1.00 3.10 C ATOM 801 NZ LYS A 48 -11.407 -6.567 -4.477 1.00 33.32 N ATOM 0 H LYS A 48 -7.829 -4.179 -0.590 1.00 52.33 H new ATOM 0 HA LYS A 48 -10.261 -3.213 0.492 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -11.282 -5.248 -0.385 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -10.434 -4.251 -1.550 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -8.542 -5.831 -1.553 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -9.343 -6.815 -0.344 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -9.729 -7.732 -2.601 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -11.239 -7.214 -1.880 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -11.006 -5.015 -3.117 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -9.591 -5.667 -3.921 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -11.552 -5.907 -5.267 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -10.955 -7.435 -4.829 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -12.326 -6.804 -4.051 1.00 33.32 H new ATOM 815 N ILE A 49 -8.732 -5.548 2.167 1.00 54.11 N ATOM 816 CA ILE A 49 -8.668 -6.176 3.483 1.00 1.24 C ATOM 817 C ILE A 49 -8.644 -5.069 4.548 1.00 2.41 C ATOM 818 O ILE A 49 -9.389 -5.108 5.527 1.00 64.12 O ATOM 819 CB ILE A 49 -7.387 -7.042 3.642 1.00 62.52 C ATOM 820 CG1 ILE A 49 -7.242 -8.015 2.470 1.00 62.35 C ATOM 821 CG2 ILE A 49 -7.446 -7.814 4.956 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.962 -8.829 2.488 1.00 35.31 C ATOM 0 H ILE A 49 -7.921 -5.726 1.575 1.00 54.11 H new ATOM 0 HA ILE A 49 -9.537 -6.824 3.599 1.00 1.24 H new ATOM 0 HB ILE A 49 -6.520 -6.382 3.650 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -8.092 -8.697 2.472 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -7.287 -7.452 1.538 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -6.546 -8.420 5.063 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -7.512 -7.112 5.788 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -8.322 -8.463 4.958 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.940 -9.492 1.623 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -5.104 -8.158 2.453 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -5.921 -9.423 3.401 1.00 35.31 H new ATOM 834 N ALA A 50 -7.828 -4.051 4.283 1.00 44.20 N ATOM 835 CA ALA A 50 -7.652 -2.899 5.164 1.00 11.21 C ATOM 836 C ALA A 50 -8.962 -2.155 5.360 1.00 70.10 C ATOM 837 O ALA A 50 -9.272 -1.689 6.454 1.00 34.45 O ATOM 838 CB ALA A 50 -6.631 -1.952 4.568 1.00 53.40 C ATOM 0 H ALA A 50 -7.261 -4.003 3.436 1.00 44.20 H new ATOM 0 HA ALA A 50 -7.308 -3.263 6.132 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.502 -1.094 5.228 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.678 -2.469 4.455 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.977 -1.611 3.592 1.00 53.40 H new ATOM 844 N TYR A 51 -9.708 -2.040 4.286 1.00 50.04 N ATOM 845 CA TYR A 51 -10.991 -1.388 4.282 1.00 11.22 C ATOM 846 C TYR A 51 -12.041 -2.195 5.054 1.00 40.54 C ATOM 847 O TYR A 51 -12.781 -1.634 5.862 1.00 51.22 O ATOM 848 CB TYR A 51 -11.429 -1.105 2.829 1.00 31.54 C ATOM 849 CG TYR A 51 -12.884 -0.734 2.654 1.00 42.44 C ATOM 850 CD1 TYR A 51 -13.382 0.510 3.029 1.00 73.13 C ATOM 851 CD2 TYR A 51 -13.760 -1.651 2.118 1.00 52.31 C ATOM 852 CE1 TYR A 51 -14.723 0.819 2.867 1.00 33.41 C ATOM 853 CE2 TYR A 51 -15.099 -1.357 1.951 1.00 14.05 C ATOM 854 CZ TYR A 51 -15.576 -0.121 2.328 1.00 45.04 C ATOM 855 OH TYR A 51 -16.918 0.171 2.166 1.00 12.24 O ATOM 0 H TYR A 51 -9.432 -2.405 3.374 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.899 -0.435 4.803 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -10.815 -0.297 2.433 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -11.221 -1.989 2.226 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -12.714 1.245 3.452 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.392 -2.622 1.821 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -15.097 1.789 3.161 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.768 -2.092 1.527 1.00 14.05 H new ATOM 0 HH TYR A 51 -17.375 -0.601 1.772 1.00 12.24 H new ATOM 865 N TYR A 52 -12.092 -3.500 4.835 1.00 52.41 N ATOM 866 CA TYR A 52 -13.084 -4.332 5.522 1.00 3.45 C ATOM 867 C TYR A 52 -12.773 -4.522 7.003 1.00 25.43 C ATOM 868 O TYR A 52 -13.677 -4.654 7.822 1.00 40.30 O ATOM 869 CB TYR A 52 -13.308 -5.672 4.823 1.00 51.32 C ATOM 870 CG TYR A 52 -14.024 -5.555 3.491 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.287 -4.979 3.412 1.00 25.42 C ATOM 872 CD2 TYR A 52 -13.460 -6.048 2.328 1.00 1.22 C ATOM 873 CE1 TYR A 52 -15.960 -4.899 2.212 1.00 72.42 C ATOM 874 CE2 TYR A 52 -14.123 -5.967 1.121 1.00 0.00 C ATOM 875 CZ TYR A 52 -15.372 -5.393 1.068 1.00 75.33 C ATOM 876 OH TYR A 52 -16.048 -5.331 -0.131 1.00 10.50 O ATOM 0 H TYR A 52 -11.473 -4.004 4.200 1.00 52.41 H new ATOM 0 HA TYR A 52 -14.021 -3.778 5.465 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.344 -6.155 4.665 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -13.886 -6.322 5.480 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.749 -4.588 4.306 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -12.482 -6.505 2.366 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -16.942 -4.452 2.169 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -13.664 -6.352 0.222 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.494 -5.721 -0.839 1.00 10.50 H new ATOM 886 N LEU A 53 -11.504 -4.522 7.343 1.00 43.52 N ATOM 887 CA LEU A 53 -11.098 -4.615 8.743 1.00 35.04 C ATOM 888 C LEU A 53 -11.127 -3.234 9.384 1.00 52.42 C ATOM 889 O LEU A 53 -11.096 -3.102 10.616 1.00 34.31 O ATOM 890 CB LEU A 53 -9.696 -5.225 8.871 1.00 34.25 C ATOM 891 CG LEU A 53 -9.538 -6.669 8.386 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.092 -7.108 8.506 1.00 73.24 C ATOM 893 CD2 LEU A 53 -10.445 -7.606 9.174 1.00 30.33 C ATOM 0 H LEU A 53 -10.732 -4.459 6.679 1.00 43.52 H new ATOM 0 HA LEU A 53 -11.801 -5.268 9.260 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -8.998 -4.599 8.315 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.398 -5.181 9.919 1.00 34.25 H new ATOM 0 HG LEU A 53 -9.831 -6.713 7.337 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -7.994 -8.136 8.158 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -7.463 -6.458 7.898 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -7.778 -7.046 9.548 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -10.316 -8.626 8.813 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -10.185 -7.560 10.232 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -11.484 -7.303 9.042 1.00 30.33 H new ATOM 904 N ASN A 54 -11.229 -2.225 8.520 1.00 23.44 N ATOM 905 CA ASN A 54 -11.206 -0.800 8.859 1.00 34.54 C ATOM 906 C ASN A 54 -10.050 -0.488 9.779 1.00 23.31 C ATOM 907 O ASN A 54 -10.210 -0.378 10.990 1.00 53.04 O ATOM 908 CB ASN A 54 -12.539 -0.297 9.445 1.00 0.13 C ATOM 909 CG ASN A 54 -12.563 1.222 9.607 1.00 2.32 C ATOM 910 OD1 ASN A 54 -12.187 1.770 10.655 1.00 41.33 O ATOM 911 ND2 ASN A 54 -13.016 1.905 8.585 1.00 61.11 N ATOM 0 H ASN A 54 -11.335 -2.385 7.518 1.00 23.44 H new ATOM 0 HA ASN A 54 -11.064 -0.258 7.924 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.358 -0.604 8.795 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.708 -0.767 10.414 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -13.069 2.922 8.635 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -13.316 1.419 7.740 1.00 61.11 H new ATOM 918 N THR A 55 -8.874 -0.480 9.230 1.00 45.02 N ATOM 919 CA THR A 55 -7.681 -0.218 9.984 1.00 24.13 C ATOM 920 C THR A 55 -6.654 0.424 9.036 1.00 75.14 C ATOM 921 O THR A 55 -6.592 0.043 7.853 1.00 45.22 O ATOM 922 CB THR A 55 -7.134 -1.557 10.592 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.170 -2.187 11.383 1.00 22.11 O ATOM 924 CG2 THR A 55 -5.936 -1.318 11.484 1.00 53.13 C ATOM 0 H THR A 55 -8.711 -0.656 8.239 1.00 45.02 H new ATOM 0 HA THR A 55 -7.884 0.461 10.812 1.00 24.13 H new ATOM 0 HB THR A 55 -6.832 -2.196 9.762 1.00 33.24 H new ATOM 0 HG1 THR A 55 -7.775 -2.568 12.195 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.586 -2.269 11.886 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.138 -0.853 10.905 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.219 -0.659 12.305 1.00 53.13 H new ATOM 932 N PRO A 56 -5.897 1.451 9.499 1.00 2.53 N ATOM 933 CA PRO A 56 -4.889 2.116 8.676 1.00 62.14 C ATOM 934 C PRO A 56 -3.799 1.145 8.225 1.00 22.43 C ATOM 935 O PRO A 56 -3.415 0.229 8.971 1.00 73.34 O ATOM 936 CB PRO A 56 -4.301 3.195 9.600 1.00 52.13 C ATOM 937 CG PRO A 56 -4.672 2.773 10.978 1.00 3.21 C ATOM 938 CD PRO A 56 -5.973 2.046 10.850 1.00 22.03 C ATOM 0 HA PRO A 56 -5.317 2.525 7.761 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -3.219 3.263 9.487 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -4.709 4.178 9.366 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -3.906 2.128 11.408 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -4.770 3.636 11.637 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -6.085 1.283 11.620 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -6.823 2.722 10.945 1.00 22.03 H new ATOM 946 N LEU A 57 -3.305 1.359 7.019 1.00 62.42 N ATOM 947 CA LEU A 57 -2.293 0.507 6.397 1.00 13.13 C ATOM 948 C LEU A 57 -1.062 0.373 7.269 1.00 71.12 C ATOM 949 O LEU A 57 -0.535 -0.719 7.420 1.00 53.41 O ATOM 950 CB LEU A 57 -1.869 1.038 5.012 1.00 34.12 C ATOM 951 CG LEU A 57 -2.863 0.920 3.837 1.00 42.20 C ATOM 952 CD1 LEU A 57 -4.131 1.740 4.047 1.00 35.04 C ATOM 953 CD2 LEU A 57 -2.175 1.343 2.562 1.00 13.21 C ATOM 0 H LEU A 57 -3.596 2.140 6.431 1.00 62.42 H new ATOM 0 HA LEU A 57 -2.755 -0.473 6.276 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -1.615 2.092 5.126 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -0.955 0.519 4.725 1.00 34.12 H new ATOM 0 HG LEU A 57 -3.175 -0.122 3.774 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -4.791 1.617 3.188 1.00 35.04 H new ATOM 0 HD12 LEU A 57 -4.641 1.398 4.948 1.00 35.04 H new ATOM 0 HD13 LEU A 57 -3.870 2.793 4.156 1.00 35.04 H new ATOM 0 HD21 LEU A 57 -2.872 1.262 1.728 1.00 13.21 H new ATOM 0 HD22 LEU A 57 -1.839 2.376 2.655 1.00 13.21 H new ATOM 0 HD23 LEU A 57 -1.316 0.697 2.381 1.00 13.21 H new ATOM 964 N GLU A 58 -0.644 1.487 7.872 1.00 41.15 N ATOM 965 CA GLU A 58 0.530 1.518 8.759 1.00 25.13 C ATOM 966 C GLU A 58 0.383 0.574 9.958 1.00 23.31 C ATOM 967 O GLU A 58 1.369 0.032 10.454 1.00 41.22 O ATOM 968 CB GLU A 58 0.803 2.951 9.253 1.00 25.40 C ATOM 969 CG GLU A 58 1.127 3.940 8.142 1.00 63.30 C ATOM 970 CD GLU A 58 1.386 5.347 8.643 1.00 34.03 C ATOM 971 OE1 GLU A 58 0.415 6.127 8.787 1.00 53.22 O ATOM 972 OE2 GLU A 58 2.562 5.714 8.879 1.00 71.30 O ATOM 0 H GLU A 58 -1.104 2.391 7.763 1.00 41.15 H new ATOM 0 HA GLU A 58 1.377 1.171 8.168 1.00 25.13 H new ATOM 0 HB2 GLU A 58 -0.070 3.308 9.799 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.634 2.929 9.959 1.00 25.40 H new ATOM 0 HG2 GLU A 58 2.004 3.589 7.598 1.00 63.30 H new ATOM 0 HG3 GLU A 58 0.300 3.962 7.433 1.00 63.30 H new ATOM 979 N ASP A 59 -0.826 0.427 10.457 1.00 34.01 N ATOM 980 CA ASP A 59 -1.074 -0.474 11.579 1.00 63.41 C ATOM 981 C ASP A 59 -1.005 -1.943 11.139 1.00 42.14 C ATOM 982 O ASP A 59 -0.399 -2.785 11.811 1.00 72.41 O ATOM 983 CB ASP A 59 -2.398 -0.152 12.277 1.00 22.41 C ATOM 984 CG ASP A 59 -2.610 -0.967 13.541 1.00 52.54 C ATOM 985 OD1 ASP A 59 -1.823 -0.814 14.507 1.00 60.45 O ATOM 986 OD2 ASP A 59 -3.585 -1.711 13.623 1.00 14.52 O ATOM 0 H ASP A 59 -1.653 0.914 10.111 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.281 -0.316 12.310 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.424 0.909 12.526 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.222 -0.338 11.588 1.00 22.41 H new ATOM 991 N ILE A 60 -1.596 -2.214 9.976 1.00 25.13 N ATOM 992 CA ILE A 60 -1.702 -3.574 9.435 1.00 73.13 C ATOM 993 C ILE A 60 -0.344 -4.086 8.945 1.00 51.12 C ATOM 994 O ILE A 60 0.073 -5.198 9.262 1.00 44.15 O ATOM 995 CB ILE A 60 -2.753 -3.676 8.295 1.00 50.03 C ATOM 996 CG1 ILE A 60 -4.106 -3.152 8.785 1.00 75.01 C ATOM 997 CG2 ILE A 60 -2.889 -5.130 7.825 1.00 14.41 C ATOM 998 CD1 ILE A 60 -5.203 -3.189 7.747 1.00 50.54 C ATOM 0 H ILE A 60 -2.015 -1.500 9.381 1.00 25.13 H new ATOM 0 HA ILE A 60 -2.041 -4.206 10.256 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.420 -3.068 7.454 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.419 -3.740 9.648 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -3.981 -2.125 9.128 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -3.629 -5.187 7.026 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -1.927 -5.484 7.455 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.208 -5.754 8.660 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -6.125 -2.800 8.178 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -4.916 -2.576 6.892 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.360 -4.217 7.420 1.00 50.54 H new ATOM 1010 N PHE A 61 0.313 -3.296 8.145 1.00 35.15 N ATOM 1011 CA PHE A 61 1.613 -3.655 7.652 1.00 22.52 C ATOM 1012 C PHE A 61 2.626 -2.685 8.190 1.00 61.31 C ATOM 1013 O PHE A 61 2.361 -1.492 8.277 1.00 64.35 O ATOM 1014 CB PHE A 61 1.642 -3.666 6.102 1.00 0.12 C ATOM 1015 CG PHE A 61 0.742 -4.696 5.476 1.00 21.33 C ATOM 1016 CD1 PHE A 61 1.149 -6.014 5.364 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -0.510 -4.343 4.994 1.00 50.52 C ATOM 1018 CE1 PHE A 61 0.326 -6.962 4.786 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -1.336 -5.286 4.415 1.00 53.10 C ATOM 1020 CZ PHE A 61 -0.917 -6.598 4.311 1.00 22.32 C ATOM 0 H PHE A 61 -0.032 -2.394 7.818 1.00 35.15 H new ATOM 0 HA PHE A 61 1.854 -4.663 7.990 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.355 -2.680 5.737 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.665 -3.844 5.770 1.00 0.12 H new ATOM 0 HD1 PHE A 61 2.121 -6.305 5.733 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -0.843 -3.319 5.073 1.00 50.52 H new ATOM 0 HE1 PHE A 61 0.656 -7.987 4.706 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -2.308 -4.998 4.044 1.00 53.10 H new ATOM 0 HZ PHE A 61 -1.561 -7.337 3.859 1.00 22.32 H new ATOM 1030 N GLN A 62 3.773 -3.173 8.549 1.00 72.24 N ATOM 1031 CA GLN A 62 4.795 -2.308 9.038 1.00 2.15 C ATOM 1032 C GLN A 62 6.006 -2.447 8.163 1.00 41.21 C ATOM 1033 O GLN A 62 6.472 -3.557 7.883 1.00 54.12 O ATOM 1034 CB GLN A 62 5.147 -2.598 10.492 1.00 43.12 C ATOM 1035 CG GLN A 62 5.968 -1.485 11.128 1.00 54.21 C ATOM 1036 CD GLN A 62 6.424 -1.807 12.525 1.00 62.30 C ATOM 1037 OE1 GLN A 62 5.779 -2.564 13.246 1.00 51.34 O ATOM 1038 NE2 GLN A 62 7.500 -1.197 12.936 1.00 41.41 N ATOM 0 H GLN A 62 4.022 -4.161 8.512 1.00 72.24 H new ATOM 0 HA GLN A 62 4.425 -1.283 9.006 1.00 2.15 H new ATOM 0 HB2 GLN A 62 4.229 -2.739 11.063 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.704 -3.533 10.548 1.00 43.12 H new ATOM 0 HG2 GLN A 62 6.840 -1.285 10.505 1.00 54.21 H new ATOM 0 HG3 GLN A 62 5.374 -0.571 11.148 1.00 54.21 H new ATOM 0 HE21 GLN A 62 8.007 -0.576 12.305 1.00 41.41 H new ATOM 0 HE22 GLN A 62 7.835 -1.341 13.889 1.00 41.41 H new ATOM 1047 N TRP A 63 6.497 -1.352 7.728 1.00 13.44 N ATOM 1048 CA TRP A 63 7.605 -1.320 6.845 1.00 61.35 C ATOM 1049 C TRP A 63 8.833 -0.739 7.491 1.00 61.52 C ATOM 1050 O TRP A 63 8.837 0.395 7.986 1.00 24.43 O ATOM 1051 CB TRP A 63 7.232 -0.609 5.545 1.00 14.01 C ATOM 1052 CG TRP A 63 6.304 0.561 5.737 1.00 34.23 C ATOM 1053 CD1 TRP A 63 6.632 1.848 6.032 1.00 3.21 C ATOM 1054 CD2 TRP A 63 4.873 0.524 5.635 1.00 53.32 C ATOM 1055 NE1 TRP A 63 5.492 2.605 6.126 1.00 11.14 N ATOM 1056 CE2 TRP A 63 4.405 1.817 5.882 1.00 74.31 C ATOM 1057 CE3 TRP A 63 3.946 -0.487 5.353 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 3.053 2.136 5.859 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.604 -0.168 5.331 1.00 3.40 C ATOM 1060 CH2 TRP A 63 2.170 1.132 5.581 1.00 31.53 C ATOM 0 H TRP A 63 6.136 -0.431 7.978 1.00 13.44 H new ATOM 0 HA TRP A 63 7.865 -2.349 6.595 1.00 61.35 H new ATOM 0 HB2 TRP A 63 8.143 -0.262 5.057 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.763 -1.326 4.871 1.00 14.01 H new ATOM 0 HD1 TRP A 63 7.637 2.217 6.171 1.00 3.21 H new ATOM 0 HE1 TRP A 63 5.462 3.601 6.344 1.00 11.14 H new ATOM 0 HE3 TRP A 63 4.275 -1.497 5.157 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 2.712 3.142 6.054 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 1.878 -0.938 5.117 1.00 3.40 H new ATOM 0 HH2 TRP A 63 1.113 1.350 5.554 1.00 31.53 H new ATOM 1071 N GLN A 64 9.848 -1.540 7.529 1.00 35.50 N ATOM 1072 CA GLN A 64 11.126 -1.165 8.043 1.00 11.44 C ATOM 1073 C GLN A 64 12.019 -0.945 6.840 1.00 30.22 C ATOM 1074 O GLN A 64 12.299 -1.897 6.119 1.00 33.31 O ATOM 1075 CB GLN A 64 11.709 -2.317 8.888 1.00 44.22 C ATOM 1076 CG GLN A 64 10.845 -2.774 10.060 1.00 32.13 C ATOM 1077 CD GLN A 64 10.767 -1.771 11.196 1.00 24.43 C ATOM 1078 OE1 GLN A 64 10.874 -0.566 10.999 1.00 13.50 O ATOM 1079 NE2 GLN A 64 10.589 -2.260 12.386 1.00 53.21 N ATOM 0 H GLN A 64 9.810 -2.502 7.193 1.00 35.50 H new ATOM 0 HA GLN A 64 11.051 -0.275 8.668 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.885 -3.171 8.234 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.680 -2.006 9.274 1.00 44.22 H new ATOM 0 HG2 GLN A 64 9.837 -2.977 9.698 1.00 32.13 H new ATOM 0 HG3 GLN A 64 11.240 -3.714 10.445 1.00 32.13 H new ATOM 0 HE21 GLN A 64 10.504 -3.268 12.516 1.00 53.21 H new ATOM 0 HE22 GLN A 64 10.534 -1.636 13.191 1.00 53.21 H new ATOM 1088 N PRO A 65 12.485 0.286 6.592 1.00 63.05 N ATOM 1089 CA PRO A 65 13.350 0.626 5.417 1.00 13.14 C ATOM 1090 C PRO A 65 14.785 0.084 5.561 1.00 44.11 C ATOM 1091 O PRO A 65 15.721 0.520 4.870 1.00 4.41 O ATOM 1092 CB PRO A 65 13.360 2.165 5.423 1.00 11.15 C ATOM 1093 CG PRO A 65 12.264 2.555 6.361 1.00 34.32 C ATOM 1094 CD PRO A 65 12.207 1.476 7.392 1.00 62.43 C ATOM 0 HA PRO A 65 12.973 0.185 4.494 1.00 13.14 H new ATOM 0 HB2 PRO A 65 14.322 2.552 5.758 1.00 11.15 H new ATOM 0 HB3 PRO A 65 13.186 2.565 4.424 1.00 11.15 H new ATOM 0 HG2 PRO A 65 12.467 3.523 6.819 1.00 34.32 H new ATOM 0 HG3 PRO A 65 11.313 2.644 5.836 1.00 34.32 H new ATOM 0 HD2 PRO A 65 12.947 1.622 8.179 1.00 62.43 H new ATOM 0 HD3 PRO A 65 11.232 1.425 7.877 1.00 62.43 H new ATOM 1102 N GLU A 66 14.918 -0.865 6.440 1.00 22.55 N ATOM 1103 CA GLU A 66 16.133 -1.529 6.761 1.00 60.44 C ATOM 1104 C GLU A 66 15.771 -2.992 6.994 1.00 3.22 C ATOM 1105 O GLU A 66 15.628 -3.753 6.000 1.00 11.44 O ATOM 1106 CB GLU A 66 16.771 -0.893 8.026 1.00 14.51 C ATOM 1107 CG GLU A 66 17.165 0.580 7.843 1.00 33.32 C ATOM 1108 CD GLU A 66 17.688 1.237 9.096 1.00 75.24 C ATOM 1109 OE1 GLU A 66 18.897 1.109 9.397 1.00 24.43 O ATOM 1110 OE2 GLU A 66 16.909 1.926 9.794 1.00 31.01 O ATOM 1111 OXT GLU A 66 15.545 -3.379 8.145 1.00 0.00 O ATOM 0 H GLU A 66 14.127 -1.213 6.982 1.00 22.55 H new ATOM 0 HA GLU A 66 16.868 -1.440 5.961 1.00 60.44 H new ATOM 0 HB2 GLU A 66 16.068 -0.972 8.856 1.00 14.51 H new ATOM 0 HB3 GLU A 66 17.656 -1.465 8.303 1.00 14.51 H new ATOM 0 HG2 GLU A 66 17.926 0.648 7.065 1.00 33.32 H new ATOM 0 HG3 GLU A 66 16.297 1.136 7.489 1.00 33.32 H new ATOM 1119 N MET B 67 -11.381 1.545 -7.707 1.00 4.52 N ATOM 1120 CA MET B 67 -10.836 2.601 -8.565 1.00 15.43 C ATOM 1121 C MET B 67 -9.790 3.393 -7.821 1.00 54.41 C ATOM 1122 O MET B 67 -10.005 3.808 -6.677 1.00 33.23 O ATOM 1123 CB MET B 67 -11.935 3.532 -9.089 1.00 32.24 C ATOM 1124 CG MET B 67 -12.895 2.871 -10.062 1.00 0.23 C ATOM 1125 SD MET B 67 -12.079 2.292 -11.568 1.00 54.32 S ATOM 1126 CE MET B 67 -13.460 1.505 -12.399 1.00 74.51 C ATOM 0 HA MET B 67 -10.374 2.119 -9.427 1.00 15.43 H new ATOM 0 HB2 MET B 67 -12.502 3.920 -8.243 1.00 32.24 H new ATOM 0 HB3 MET B 67 -11.469 4.387 -9.579 1.00 32.24 H new ATOM 0 HG2 MET B 67 -13.380 2.028 -9.570 1.00 0.23 H new ATOM 0 HG3 MET B 67 -13.680 3.579 -10.329 1.00 0.23 H new ATOM 0 HE1 MET B 67 -13.125 1.093 -13.351 1.00 74.51 H new ATOM 0 HE2 MET B 67 -13.851 0.702 -11.774 1.00 74.51 H new ATOM 0 HE3 MET B 67 -14.244 2.241 -12.578 1.00 74.51 H new ATOM 1138 N ILE B 68 -8.656 3.574 -8.447 1.00 22.43 N ATOM 1139 CA ILE B 68 -7.558 4.322 -7.871 1.00 32.41 C ATOM 1140 C ILE B 68 -7.488 5.703 -8.517 1.00 45.13 C ATOM 1141 O ILE B 68 -7.625 5.829 -9.723 1.00 32.11 O ATOM 1142 CB ILE B 68 -6.189 3.581 -8.079 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -6.205 2.186 -7.425 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -5.005 4.405 -7.554 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -6.424 2.190 -5.921 1.00 54.01 C ATOM 0 H ILE B 68 -8.463 3.205 -9.378 1.00 22.43 H new ATOM 0 HA ILE B 68 -7.737 4.416 -6.800 1.00 32.41 H new ATOM 0 HB ILE B 68 -6.057 3.458 -9.154 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -6.990 1.591 -7.891 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -5.259 1.689 -7.639 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -4.078 3.855 -7.718 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -4.961 5.357 -8.083 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -5.134 4.589 -6.487 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -6.420 1.165 -5.550 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -5.626 2.754 -5.439 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -7.384 2.654 -5.694 1.00 54.01 H new ATOM 1157 N ILE B 69 -7.335 6.713 -7.703 1.00 31.31 N ATOM 1158 CA ILE B 69 -7.151 8.088 -8.125 1.00 25.12 C ATOM 1159 C ILE B 69 -5.766 8.496 -7.626 1.00 13.31 C ATOM 1160 O ILE B 69 -5.464 8.330 -6.446 1.00 33.20 O ATOM 1161 CB ILE B 69 -8.269 9.063 -7.547 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -9.640 8.868 -8.247 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -7.849 10.525 -7.634 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -10.355 7.569 -7.938 1.00 2.41 C ATOM 0 H ILE B 69 -7.334 6.603 -6.689 1.00 31.31 H new ATOM 0 HA ILE B 69 -7.237 8.164 -9.209 1.00 25.12 H new ATOM 0 HB ILE B 69 -8.383 8.796 -6.496 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -10.291 9.696 -7.967 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -9.490 8.931 -9.325 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -8.640 11.156 -7.229 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -6.935 10.676 -7.059 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -7.671 10.791 -8.676 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -11.301 7.537 -8.479 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -9.732 6.729 -8.246 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -10.547 7.505 -6.867 1.00 2.41 H new ATOM 1176 N ASN B 70 -4.922 8.984 -8.490 1.00 20.22 N ATOM 1177 CA ASN B 70 -3.540 9.250 -8.120 1.00 24.23 C ATOM 1178 C ASN B 70 -3.301 10.731 -7.812 1.00 32.00 C ATOM 1179 O ASN B 70 -3.775 11.616 -8.530 1.00 60.31 O ATOM 1180 CB ASN B 70 -2.637 8.783 -9.269 1.00 41.35 C ATOM 1181 CG ASN B 70 -1.167 8.991 -9.017 1.00 44.33 C ATOM 1182 OD1 ASN B 70 -0.714 8.988 -7.882 1.00 51.44 O ATOM 1183 ND2 ASN B 70 -0.414 9.175 -10.072 1.00 33.01 N ATOM 0 H ASN B 70 -5.155 9.209 -9.457 1.00 20.22 H new ATOM 0 HA ASN B 70 -3.306 8.703 -7.206 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -2.817 7.724 -9.451 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -2.918 9.315 -10.178 1.00 41.35 H new ATOM 0 HD21 ASN B 70 0.589 9.323 -9.963 1.00 33.01 H new ATOM 0 HD22 ASN B 70 -0.831 9.170 -11.003 1.00 33.01 H new ATOM 1190 N ASN B 71 -2.586 11.002 -6.730 1.00 65.43 N ATOM 1191 CA ASN B 71 -2.249 12.375 -6.353 1.00 54.20 C ATOM 1192 C ASN B 71 -0.756 12.493 -6.128 1.00 74.31 C ATOM 1193 O ASN B 71 -0.304 13.476 -5.559 1.00 70.34 O ATOM 1194 CB ASN B 71 -2.961 12.832 -5.054 1.00 72.22 C ATOM 1195 CG ASN B 71 -4.468 12.721 -5.083 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -5.163 13.623 -5.557 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -4.987 11.650 -4.532 1.00 62.53 N ATOM 0 H ASN B 71 -2.225 10.291 -6.094 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.582 13.011 -7.173 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.583 12.238 -4.222 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.691 13.869 -4.854 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -6.000 11.541 -4.484 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -4.378 10.926 -4.151 1.00 62.53 H new ATOM 1204 N LEU B 72 0.000 11.498 -6.616 1.00 31.42 N ATOM 1205 CA LEU B 72 1.471 11.380 -6.445 1.00 41.12 C ATOM 1206 C LEU B 72 2.177 12.741 -6.611 1.00 32.41 C ATOM 1207 O LEU B 72 2.894 13.187 -5.701 1.00 15.34 O ATOM 1208 CB LEU B 72 2.006 10.322 -7.474 1.00 22.14 C ATOM 1209 CG LEU B 72 3.444 9.735 -7.330 1.00 2.34 C ATOM 1210 CD1 LEU B 72 4.537 10.746 -7.584 1.00 11.20 C ATOM 1211 CD2 LEU B 72 3.630 9.074 -5.981 1.00 33.32 C ATOM 0 H LEU B 72 -0.397 10.729 -7.156 1.00 31.42 H new ATOM 0 HA LEU B 72 1.692 11.047 -5.431 1.00 41.12 H new ATOM 0 HB2 LEU B 72 1.312 9.481 -7.461 1.00 22.14 H new ATOM 0 HB3 LEU B 72 1.941 10.774 -8.464 1.00 22.14 H new ATOM 0 HG LEU B 72 3.537 8.981 -8.111 1.00 2.34 H new ATOM 0 HD11 LEU B 72 5.509 10.268 -7.466 1.00 11.20 H new ATOM 0 HD12 LEU B 72 4.444 11.135 -8.598 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.447 11.566 -6.871 1.00 11.20 H new ATOM 0 HD21 LEU B 72 4.641 8.674 -5.908 1.00 33.32 H new ATOM 0 HD22 LEU B 72 3.473 9.809 -5.191 1.00 33.32 H new ATOM 0 HD23 LEU B 72 2.910 8.263 -5.871 1.00 33.32 H new ATOM 1223 N LYS B 73 1.931 13.415 -7.739 1.00 14.34 N ATOM 1224 CA LYS B 73 2.571 14.700 -8.033 1.00 42.10 C ATOM 1225 C LYS B 73 2.283 15.777 -6.979 1.00 53.11 C ATOM 1226 O LYS B 73 3.198 16.494 -6.561 1.00 74.22 O ATOM 1227 CB LYS B 73 2.250 15.204 -9.456 1.00 5.41 C ATOM 1228 CG LYS B 73 0.770 15.382 -9.784 1.00 35.52 C ATOM 1229 CD LYS B 73 0.599 15.918 -11.198 1.00 25.45 C ATOM 1230 CE LYS B 73 -0.864 15.993 -11.627 1.00 12.21 C ATOM 1231 NZ LYS B 73 -1.510 14.658 -11.675 1.00 61.12 N ATOM 0 H LYS B 73 1.292 13.091 -8.465 1.00 14.34 H new ATOM 0 HA LYS B 73 3.642 14.505 -7.989 1.00 42.10 H new ATOM 0 HB2 LYS B 73 2.752 16.160 -9.603 1.00 5.41 H new ATOM 0 HB3 LYS B 73 2.679 14.505 -10.173 1.00 5.41 H new ATOM 0 HG2 LYS B 73 0.252 14.428 -9.685 1.00 35.52 H new ATOM 0 HG3 LYS B 73 0.313 16.068 -9.071 1.00 35.52 H new ATOM 0 HD2 LYS B 73 1.043 16.911 -11.262 1.00 25.45 H new ATOM 0 HD3 LYS B 73 1.145 15.279 -11.893 1.00 25.45 H new ATOM 0 HE2 LYS B 73 -1.410 16.633 -10.934 1.00 12.21 H new ATOM 0 HE3 LYS B 73 -0.928 16.460 -12.610 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 -2.427 14.733 -12.160 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 -0.898 13.995 -12.192 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 -1.658 14.309 -10.707 1.00 61.12 H new ATOM 1245 N LEU B 74 1.049 15.819 -6.507 1.00 3.54 N ATOM 1246 CA LEU B 74 0.579 16.825 -5.564 1.00 24.22 C ATOM 1247 C LEU B 74 1.390 16.810 -4.268 1.00 33.32 C ATOM 1248 O LEU B 74 1.793 17.862 -3.769 1.00 35.35 O ATOM 1249 CB LEU B 74 -0.900 16.590 -5.269 1.00 15.15 C ATOM 1250 CG LEU B 74 -1.575 17.564 -4.313 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -1.547 18.980 -4.863 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -2.990 17.124 -4.064 1.00 34.11 C ATOM 0 H LEU B 74 0.331 15.144 -6.772 1.00 3.54 H new ATOM 0 HA LEU B 74 0.712 17.808 -6.017 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -1.442 16.612 -6.214 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.009 15.585 -4.862 1.00 15.15 H new ATOM 0 HG LEU B 74 -1.026 17.565 -3.371 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -2.036 19.653 -4.159 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -0.513 19.294 -5.007 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -2.072 19.010 -5.818 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -3.473 17.822 -3.380 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -3.536 17.104 -5.007 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -2.989 16.127 -3.624 1.00 34.11 H new ATOM 1264 N ILE B 75 1.660 15.621 -3.759 1.00 72.34 N ATOM 1265 CA ILE B 75 2.418 15.471 -2.517 1.00 55.53 C ATOM 1266 C ILE B 75 3.856 15.999 -2.666 1.00 3.21 C ATOM 1267 O ILE B 75 4.378 16.658 -1.757 1.00 40.20 O ATOM 1268 CB ILE B 75 2.399 13.998 -1.942 1.00 33.31 C ATOM 1269 CG1 ILE B 75 1.011 13.612 -1.370 1.00 5.53 C ATOM 1270 CG2 ILE B 75 3.459 13.807 -0.862 1.00 15.31 C ATOM 1271 CD1 ILE B 75 -0.113 13.511 -2.373 1.00 1.24 C ATOM 0 H ILE B 75 1.368 14.741 -4.183 1.00 72.34 H new ATOM 0 HA ILE B 75 1.905 16.087 -1.778 1.00 55.53 H new ATOM 0 HB ILE B 75 2.621 13.341 -2.783 1.00 33.31 H new ATOM 0 HG12 ILE B 75 1.104 12.653 -0.860 1.00 5.53 H new ATOM 0 HG13 ILE B 75 0.733 14.348 -0.616 1.00 5.53 H new ATOM 0 HG21 ILE B 75 3.418 12.784 -0.489 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.446 14.001 -1.282 1.00 15.31 H new ATOM 0 HG23 ILE B 75 3.272 14.500 -0.042 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -1.035 13.235 -1.860 1.00 1.24 H new ATOM 0 HD12 ILE B 75 -0.247 14.473 -2.868 1.00 1.24 H new ATOM 0 HD13 ILE B 75 0.130 12.751 -3.116 1.00 1.24 H new ATOM 1283 N ARG B 76 4.466 15.764 -3.831 1.00 23.44 N ATOM 1284 CA ARG B 76 5.835 16.242 -4.061 1.00 2.23 C ATOM 1285 C ARG B 76 5.830 17.756 -4.069 1.00 61.23 C ATOM 1286 O ARG B 76 6.749 18.379 -3.566 1.00 0.10 O ATOM 1287 CB ARG B 76 6.431 15.772 -5.395 1.00 24.15 C ATOM 1288 CG ARG B 76 6.430 14.285 -5.645 1.00 71.12 C ATOM 1289 CD ARG B 76 5.625 13.950 -6.903 1.00 32.20 C ATOM 1290 NE ARG B 76 6.245 14.356 -8.197 1.00 64.13 N ATOM 1291 CZ ARG B 76 6.170 15.567 -8.808 1.00 4.20 C ATOM 1292 NH1 ARG B 76 5.588 16.605 -8.223 1.00 64.25 N ATOM 1293 NH2 ARG B 76 6.646 15.699 -10.014 1.00 51.23 N ATOM 0 H ARG B 76 4.048 15.259 -4.613 1.00 23.44 H new ATOM 0 HA ARG B 76 6.447 15.830 -3.258 1.00 2.23 H new ATOM 0 HB2 ARG B 76 5.881 16.254 -6.203 1.00 24.15 H new ATOM 0 HB3 ARG B 76 7.460 16.127 -5.453 1.00 24.15 H new ATOM 0 HG2 ARG B 76 7.454 13.929 -5.757 1.00 71.12 H new ATOM 0 HG3 ARG B 76 6.004 13.767 -4.786 1.00 71.12 H new ATOM 0 HD2 ARG B 76 5.453 12.874 -6.926 1.00 32.20 H new ATOM 0 HD3 ARG B 76 4.648 14.427 -6.824 1.00 32.20 H new ATOM 0 HE ARG B 76 6.789 13.641 -8.680 1.00 64.13 H new ATOM 0 HH11 ARG B 76 5.183 16.505 -7.292 1.00 64.25 H new ATOM 0 HH12 ARG B 76 5.545 17.504 -8.704 1.00 64.25 H new ATOM 0 HH21 ARG B 76 7.068 14.899 -10.486 1.00 51.23 H new ATOM 0 HH22 ARG B 76 6.597 16.602 -10.486 1.00 51.23 H new ATOM 1307 N GLU B 77 4.770 18.333 -4.648 1.00 3.43 N ATOM 1308 CA GLU B 77 4.613 19.775 -4.756 1.00 32.25 C ATOM 1309 C GLU B 77 4.333 20.430 -3.399 1.00 23.22 C ATOM 1310 O GLU B 77 4.655 21.598 -3.199 1.00 24.24 O ATOM 1311 CB GLU B 77 3.522 20.136 -5.763 1.00 73.21 C ATOM 1312 CG GLU B 77 3.766 19.601 -7.168 1.00 31.54 C ATOM 1313 CD GLU B 77 5.085 20.046 -7.758 1.00 75.21 C ATOM 1314 OE1 GLU B 77 5.153 21.155 -8.337 1.00 73.43 O ATOM 1315 OE2 GLU B 77 6.062 19.293 -7.682 1.00 52.20 O ATOM 0 H GLU B 77 3.998 17.804 -5.054 1.00 3.43 H new ATOM 0 HA GLU B 77 5.562 20.170 -5.118 1.00 32.25 H new ATOM 0 HB2 GLU B 77 2.568 19.752 -5.401 1.00 73.21 H new ATOM 0 HB3 GLU B 77 3.432 21.221 -5.810 1.00 73.21 H new ATOM 0 HG2 GLU B 77 3.736 18.512 -7.145 1.00 31.54 H new ATOM 0 HG3 GLU B 77 2.956 19.928 -7.820 1.00 31.54 H new ATOM 1322 N LYS B 78 3.604 19.727 -2.516 1.00 12.34 N ATOM 1323 CA LYS B 78 3.409 20.215 -1.138 1.00 0.30 C ATOM 1324 C LYS B 78 4.741 20.362 -0.401 1.00 41.03 C ATOM 1325 O LYS B 78 4.899 21.221 0.463 1.00 70.21 O ATOM 1326 CB LYS B 78 2.450 19.325 -0.334 1.00 31.15 C ATOM 1327 CG LYS B 78 1.027 19.227 -0.893 1.00 63.14 C ATOM 1328 CD LYS B 78 0.362 20.598 -1.102 1.00 63.03 C ATOM 1329 CE LYS B 78 0.281 21.440 0.178 1.00 13.30 C ATOM 1330 NZ LYS B 78 -0.491 20.790 1.260 1.00 22.43 N ATOM 0 H LYS B 78 3.149 18.838 -2.724 1.00 12.34 H new ATOM 0 HA LYS B 78 2.951 21.200 -1.224 1.00 0.30 H new ATOM 0 HB2 LYS B 78 2.871 18.321 -0.279 1.00 31.15 H new ATOM 0 HB3 LYS B 78 2.397 19.705 0.686 1.00 31.15 H new ATOM 0 HG2 LYS B 78 1.053 18.694 -1.844 1.00 63.14 H new ATOM 0 HG3 LYS B 78 0.416 18.634 -0.212 1.00 63.14 H new ATOM 0 HD2 LYS B 78 0.919 21.152 -1.857 1.00 63.03 H new ATOM 0 HD3 LYS B 78 -0.644 20.449 -1.494 1.00 63.03 H new ATOM 0 HE2 LYS B 78 1.291 21.644 0.534 1.00 13.30 H new ATOM 0 HE3 LYS B 78 -0.175 22.402 -0.057 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 -0.508 21.410 2.095 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -1.465 20.618 0.937 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 -0.044 19.885 1.510 1.00 22.43 H new ATOM 1344 N LYS B 79 5.674 19.515 -0.736 1.00 11.23 N ATOM 1345 CA LYS B 79 7.029 19.617 -0.218 1.00 71.54 C ATOM 1346 C LYS B 79 7.814 20.319 -1.319 1.00 62.41 C ATOM 1347 O LYS B 79 7.187 20.876 -2.219 1.00 22.21 O ATOM 1348 CB LYS B 79 7.578 18.216 0.073 1.00 24.24 C ATOM 1349 CG LYS B 79 6.587 17.337 0.842 1.00 24.13 C ATOM 1350 CD LYS B 79 7.213 16.048 1.330 1.00 4.22 C ATOM 1351 CE LYS B 79 8.112 16.288 2.533 1.00 44.25 C ATOM 1352 NZ LYS B 79 7.340 16.720 3.728 1.00 54.41 N ATOM 0 H LYS B 79 5.527 18.733 -1.374 1.00 11.23 H new ATOM 0 HA LYS B 79 7.091 20.169 0.720 1.00 71.54 H new ATOM 0 HB2 LYS B 79 7.834 17.729 -0.868 1.00 24.24 H new ATOM 0 HB3 LYS B 79 8.500 18.304 0.648 1.00 24.24 H new ATOM 0 HG2 LYS B 79 6.198 17.894 1.695 1.00 24.13 H new ATOM 0 HG3 LYS B 79 5.738 17.104 0.199 1.00 24.13 H new ATOM 0 HD2 LYS B 79 6.429 15.339 1.596 1.00 4.22 H new ATOM 0 HD3 LYS B 79 7.793 15.596 0.525 1.00 4.22 H new ATOM 0 HE2 LYS B 79 8.658 15.374 2.765 1.00 44.25 H new ATOM 0 HE3 LYS B 79 8.853 17.048 2.286 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 7.903 16.549 4.585 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 7.123 17.734 3.653 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 6.453 16.179 3.783 1.00 54.41 H new ATOM 1366 N LYS B 80 9.118 20.391 -1.314 1.00 71.43 N ATOM 1367 CA LYS B 80 9.757 20.944 -2.478 1.00 32.42 C ATOM 1368 C LYS B 80 10.801 19.968 -2.971 1.00 13.24 C ATOM 1369 O LYS B 80 11.992 20.266 -3.061 1.00 5.54 O ATOM 1370 CB LYS B 80 10.329 22.356 -2.183 1.00 73.24 C ATOM 1371 CG LYS B 80 11.229 22.443 -0.957 1.00 40.21 C ATOM 1372 CD LYS B 80 11.630 23.878 -0.654 1.00 43.22 C ATOM 1373 CE LYS B 80 12.522 23.945 0.575 1.00 70.42 C ATOM 1374 NZ LYS B 80 12.869 25.331 0.947 1.00 23.43 N ATOM 0 H LYS B 80 9.734 20.091 -0.558 1.00 71.43 H new ATOM 0 HA LYS B 80 9.028 21.086 -3.276 1.00 32.42 H new ATOM 0 HB2 LYS B 80 10.893 22.692 -3.053 1.00 73.24 H new ATOM 0 HB3 LYS B 80 9.497 23.049 -2.054 1.00 73.24 H new ATOM 0 HG2 LYS B 80 10.712 22.020 -0.096 1.00 40.21 H new ATOM 0 HG3 LYS B 80 12.124 21.842 -1.119 1.00 40.21 H new ATOM 0 HD2 LYS B 80 12.153 24.302 -1.511 1.00 43.22 H new ATOM 0 HD3 LYS B 80 10.738 24.483 -0.494 1.00 43.22 H new ATOM 0 HE2 LYS B 80 12.018 23.463 1.413 1.00 70.42 H new ATOM 0 HE3 LYS B 80 13.437 23.383 0.387 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 13.478 25.322 1.790 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 13.374 25.786 0.160 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 12.000 25.863 1.153 1.00 23.43 H new ATOM 1388 N ILE B 81 10.343 18.771 -3.235 1.00 13.13 N ATOM 1389 CA ILE B 81 11.195 17.702 -3.688 1.00 43.54 C ATOM 1390 C ILE B 81 10.715 17.272 -5.072 1.00 51.30 C ATOM 1391 O ILE B 81 9.525 17.008 -5.265 1.00 65.41 O ATOM 1392 CB ILE B 81 11.162 16.493 -2.698 1.00 70.43 C ATOM 1393 CG1 ILE B 81 11.457 16.970 -1.260 1.00 24.32 C ATOM 1394 CG2 ILE B 81 12.188 15.444 -3.112 1.00 62.43 C ATOM 1395 CD1 ILE B 81 11.390 15.879 -0.207 1.00 1.24 C ATOM 0 H ILE B 81 9.362 18.509 -3.141 1.00 13.13 H new ATOM 0 HA ILE B 81 12.227 18.050 -3.734 1.00 43.54 H new ATOM 0 HB ILE B 81 10.167 16.049 -2.728 1.00 70.43 H new ATOM 0 HG12 ILE B 81 12.450 17.419 -1.237 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.746 17.754 -0.998 1.00 24.32 H new ATOM 0 HG21 ILE B 81 12.155 14.607 -2.414 1.00 62.43 H new ATOM 0 HG22 ILE B 81 11.959 15.088 -4.117 1.00 62.43 H new ATOM 0 HG23 ILE B 81 13.184 15.886 -3.102 1.00 62.43 H new ATOM 0 HD11 ILE B 81 11.611 16.304 0.772 1.00 1.24 H new ATOM 0 HD12 ILE B 81 10.391 15.444 -0.197 1.00 1.24 H new ATOM 0 HD13 ILE B 81 12.121 15.104 -0.439 1.00 1.24 H new ATOM 1407 N SER B 82 11.615 17.243 -6.017 1.00 2.42 N ATOM 1408 CA SER B 82 11.298 16.932 -7.390 1.00 41.31 C ATOM 1409 C SER B 82 11.435 15.429 -7.687 1.00 13.21 C ATOM 1410 O SER B 82 11.988 14.671 -6.883 1.00 35.13 O ATOM 1411 CB SER B 82 12.199 17.742 -8.298 1.00 43.33 C ATOM 1412 OG SER B 82 12.026 19.140 -8.079 1.00 71.34 O ATOM 0 H SER B 82 12.603 17.437 -5.856 1.00 2.42 H new ATOM 0 HA SER B 82 10.256 17.193 -7.573 1.00 41.31 H new ATOM 0 HB2 SER B 82 13.239 17.469 -8.121 1.00 43.33 H new ATOM 0 HB3 SER B 82 11.980 17.504 -9.339 1.00 43.33 H new ATOM 0 HG SER B 82 12.620 19.641 -8.676 1.00 71.34 H new ATOM 1418 N GLN B 83 10.984 15.024 -8.870 1.00 45.12 N ATOM 1419 CA GLN B 83 10.940 13.619 -9.255 1.00 65.34 C ATOM 1420 C GLN B 83 12.319 12.970 -9.343 1.00 13.44 C ATOM 1421 O GLN B 83 12.478 11.801 -8.991 1.00 12.11 O ATOM 1422 CB GLN B 83 10.064 13.391 -10.514 1.00 30.22 C ATOM 1423 CG GLN B 83 10.499 14.075 -11.819 1.00 4.43 C ATOM 1424 CD GLN B 83 11.490 13.263 -12.640 1.00 53.31 C ATOM 1425 OE1 GLN B 83 12.709 13.386 -12.504 1.00 72.33 O ATOM 1426 NE2 GLN B 83 10.974 12.431 -13.488 1.00 45.23 N ATOM 0 H GLN B 83 10.639 15.661 -9.588 1.00 45.12 H new ATOM 0 HA GLN B 83 10.444 13.092 -8.440 1.00 65.34 H new ATOM 0 HB2 GLN B 83 10.014 12.318 -10.698 1.00 30.22 H new ATOM 0 HB3 GLN B 83 9.052 13.722 -10.283 1.00 30.22 H new ATOM 0 HG2 GLN B 83 9.616 14.273 -12.426 1.00 4.43 H new ATOM 0 HG3 GLN B 83 10.945 15.041 -11.581 1.00 4.43 H new ATOM 0 HE21 GLN B 83 9.961 12.354 -13.575 1.00 45.23 H new ATOM 0 HE22 GLN B 83 11.581 11.852 -14.069 1.00 45.23 H new ATOM 1435 N SER B 84 13.331 13.729 -9.759 1.00 55.44 N ATOM 1436 CA SER B 84 14.673 13.192 -9.848 1.00 52.11 C ATOM 1437 C SER B 84 15.202 12.899 -8.453 1.00 62.21 C ATOM 1438 O SER B 84 15.865 11.874 -8.224 1.00 10.02 O ATOM 1439 CB SER B 84 15.579 14.180 -10.562 1.00 45.03 C ATOM 1440 OG SER B 84 15.029 14.549 -11.824 1.00 21.34 O ATOM 0 H SER B 84 13.242 14.707 -10.036 1.00 55.44 H new ATOM 0 HA SER B 84 14.653 12.263 -10.418 1.00 52.11 H new ATOM 0 HB2 SER B 84 15.714 15.068 -9.945 1.00 45.03 H new ATOM 0 HB3 SER B 84 16.565 13.739 -10.705 1.00 45.03 H new ATOM 0 HG SER B 84 14.251 13.986 -12.019 1.00 21.34 H new ATOM 1446 N GLU B 85 14.873 13.795 -7.529 1.00 50.43 N ATOM 1447 CA GLU B 85 15.248 13.664 -6.145 1.00 3.23 C ATOM 1448 C GLU B 85 14.579 12.422 -5.534 1.00 41.23 C ATOM 1449 O GLU B 85 15.231 11.660 -4.806 1.00 11.14 O ATOM 1450 CB GLU B 85 14.889 14.942 -5.376 1.00 33.34 C ATOM 1451 CG GLU B 85 15.528 16.206 -5.953 1.00 42.23 C ATOM 1452 CD GLU B 85 15.189 17.457 -5.175 1.00 44.10 C ATOM 1453 OE1 GLU B 85 14.086 17.986 -5.334 1.00 64.25 O ATOM 1454 OE2 GLU B 85 16.041 17.942 -4.393 1.00 70.32 O ATOM 0 H GLU B 85 14.334 14.637 -7.732 1.00 50.43 H new ATOM 0 HA GLU B 85 16.327 13.529 -6.072 1.00 3.23 H new ATOM 0 HB2 GLU B 85 13.806 15.062 -5.373 1.00 33.34 H new ATOM 0 HB3 GLU B 85 15.200 14.830 -4.337 1.00 33.34 H new ATOM 0 HG2 GLU B 85 16.611 16.081 -5.972 1.00 42.23 H new ATOM 0 HG3 GLU B 85 15.203 16.330 -6.986 1.00 42.23 H new ATOM 1461 N LEU B 86 13.294 12.201 -5.858 1.00 73.22 N ATOM 1462 CA LEU B 86 12.592 10.986 -5.413 1.00 10.22 C ATOM 1463 C LEU B 86 13.259 9.734 -5.949 1.00 65.33 C ATOM 1464 O LEU B 86 13.487 8.796 -5.205 1.00 30.50 O ATOM 1465 CB LEU B 86 11.093 10.962 -5.809 1.00 32.54 C ATOM 1466 CG LEU B 86 10.079 11.609 -4.850 1.00 41.02 C ATOM 1467 CD1 LEU B 86 10.191 11.011 -3.457 1.00 52.52 C ATOM 1468 CD2 LEU B 86 10.203 13.114 -4.816 1.00 23.21 C ATOM 0 H LEU B 86 12.727 12.838 -6.418 1.00 73.22 H new ATOM 0 HA LEU B 86 12.652 11.005 -4.325 1.00 10.22 H new ATOM 0 HB2 LEU B 86 10.996 11.453 -6.777 1.00 32.54 H new ATOM 0 HB3 LEU B 86 10.802 9.921 -5.949 1.00 32.54 H new ATOM 0 HG LEU B 86 9.084 11.386 -5.235 1.00 41.02 H new ATOM 0 HD11 LEU B 86 9.464 11.485 -2.798 1.00 52.52 H new ATOM 0 HD12 LEU B 86 9.994 9.940 -3.504 1.00 52.52 H new ATOM 0 HD13 LEU B 86 11.196 11.178 -3.069 1.00 52.52 H new ATOM 0 HD21 LEU B 86 9.466 13.524 -4.125 1.00 23.21 H new ATOM 0 HD22 LEU B 86 11.204 13.389 -4.484 1.00 23.21 H new ATOM 0 HD23 LEU B 86 10.028 13.516 -5.814 1.00 23.21 H new ATOM 1480 N ALA B 87 13.626 9.763 -7.225 1.00 4.44 N ATOM 1481 CA ALA B 87 14.226 8.613 -7.898 1.00 14.42 C ATOM 1482 C ALA B 87 15.497 8.156 -7.200 1.00 35.03 C ATOM 1483 O ALA B 87 15.680 6.960 -6.950 1.00 72.55 O ATOM 1484 CB ALA B 87 14.518 8.945 -9.348 1.00 1.41 C ATOM 0 H ALA B 87 13.517 10.582 -7.823 1.00 4.44 H new ATOM 0 HA ALA B 87 13.508 7.794 -7.855 1.00 14.42 H new ATOM 0 HB1 ALA B 87 14.965 8.079 -9.837 1.00 1.41 H new ATOM 0 HB2 ALA B 87 13.590 9.209 -9.855 1.00 1.41 H new ATOM 0 HB3 ALA B 87 15.210 9.786 -9.397 1.00 1.41 H new ATOM 1490 N ALA B 88 16.358 9.109 -6.867 1.00 4.14 N ATOM 1491 CA ALA B 88 17.605 8.816 -6.174 1.00 53.23 C ATOM 1492 C ALA B 88 17.335 8.202 -4.802 1.00 34.22 C ATOM 1493 O ALA B 88 17.977 7.228 -4.411 1.00 30.41 O ATOM 1494 CB ALA B 88 18.439 10.081 -6.043 1.00 24.13 C ATOM 0 H ALA B 88 16.213 10.099 -7.068 1.00 4.14 H new ATOM 0 HA ALA B 88 18.164 8.088 -6.761 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.369 9.851 -5.523 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.664 10.472 -7.035 1.00 24.13 H new ATOM 0 HB3 ALA B 88 17.882 10.827 -5.477 1.00 24.13 H new ATOM 1500 N LEU B 89 16.347 8.744 -4.106 1.00 71.12 N ATOM 1501 CA LEU B 89 15.973 8.274 -2.777 1.00 42.20 C ATOM 1502 C LEU B 89 15.475 6.838 -2.797 1.00 63.22 C ATOM 1503 O LEU B 89 15.650 6.107 -1.826 1.00 30.24 O ATOM 1504 CB LEU B 89 14.899 9.177 -2.159 1.00 60.54 C ATOM 1505 CG LEU B 89 15.333 10.591 -1.789 1.00 63.34 C ATOM 1506 CD1 LEU B 89 14.143 11.402 -1.304 1.00 60.14 C ATOM 1507 CD2 LEU B 89 16.407 10.545 -0.716 1.00 50.33 C ATOM 0 H LEU B 89 15.781 9.522 -4.445 1.00 71.12 H new ATOM 0 HA LEU B 89 16.876 8.313 -2.167 1.00 42.20 H new ATOM 0 HB2 LEU B 89 14.067 9.247 -2.860 1.00 60.54 H new ATOM 0 HB3 LEU B 89 14.519 8.690 -1.261 1.00 60.54 H new ATOM 0 HG LEU B 89 15.742 11.072 -2.677 1.00 63.34 H new ATOM 0 HD11 LEU B 89 14.470 12.409 -1.044 1.00 60.14 H new ATOM 0 HD12 LEU B 89 13.394 11.457 -2.094 1.00 60.14 H new ATOM 0 HD13 LEU B 89 13.710 10.923 -0.426 1.00 60.14 H new ATOM 0 HD21 LEU B 89 16.709 11.560 -0.460 1.00 50.33 H new ATOM 0 HD22 LEU B 89 16.014 10.049 0.171 1.00 50.33 H new ATOM 0 HD23 LEU B 89 17.270 9.993 -1.088 1.00 50.33 H new ATOM 1519 N LEU B 90 14.843 6.445 -3.880 1.00 61.11 N ATOM 1520 CA LEU B 90 14.283 5.111 -3.987 1.00 33.50 C ATOM 1521 C LEU B 90 15.276 4.146 -4.635 1.00 13.04 C ATOM 1522 O LEU B 90 14.951 2.968 -4.832 1.00 54.12 O ATOM 1523 CB LEU B 90 13.030 5.146 -4.865 1.00 1.13 C ATOM 1524 CG LEU B 90 12.042 6.292 -4.644 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.875 6.171 -5.594 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.573 6.380 -3.201 1.00 43.42 C ATOM 0 H LEU B 90 14.702 7.030 -4.703 1.00 61.11 H new ATOM 0 HA LEU B 90 14.046 4.771 -2.979 1.00 33.50 H new ATOM 0 HB2 LEU B 90 13.350 5.175 -5.906 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.494 4.208 -4.722 1.00 1.13 H new ATOM 0 HG LEU B 90 12.567 7.223 -4.856 1.00 1.25 H new ATOM 0 HD11 LEU B 90 10.181 6.994 -5.424 1.00 24.05 H new ATOM 0 HD12 LEU B 90 11.237 6.208 -6.621 1.00 24.05 H new ATOM 0 HD13 LEU B 90 10.364 5.224 -5.423 1.00 24.05 H new ATOM 0 HD21 LEU B 90 10.873 7.209 -3.096 1.00 43.42 H new ATOM 0 HD22 LEU B 90 11.078 5.450 -2.922 1.00 43.42 H new ATOM 0 HD23 LEU B 90 12.431 6.544 -2.549 1.00 43.42 H new ATOM 1538 N GLU B 91 16.469 4.651 -4.971 1.00 45.33 N ATOM 1539 CA GLU B 91 17.501 3.890 -5.702 1.00 22.43 C ATOM 1540 C GLU B 91 16.959 3.405 -7.059 1.00 63.31 C ATOM 1541 O GLU B 91 17.244 2.273 -7.484 1.00 72.53 O ATOM 1542 CB GLU B 91 18.049 2.662 -4.915 1.00 34.10 C ATOM 1543 CG GLU B 91 18.842 2.939 -3.637 1.00 74.02 C ATOM 1544 CD GLU B 91 17.993 3.309 -2.451 1.00 63.23 C ATOM 1545 OE1 GLU B 91 17.104 2.504 -2.067 1.00 73.13 O ATOM 1546 OE2 GLU B 91 18.258 4.346 -1.814 1.00 54.24 O ATOM 0 H GLU B 91 16.752 5.604 -4.744 1.00 45.33 H new ATOM 0 HA GLU B 91 18.329 4.585 -5.843 1.00 22.43 H new ATOM 0 HB2 GLU B 91 17.204 2.025 -4.655 1.00 34.10 H new ATOM 0 HB3 GLU B 91 18.686 2.088 -5.588 1.00 34.10 H new ATOM 0 HG2 GLU B 91 19.428 2.054 -3.388 1.00 74.02 H new ATOM 0 HG3 GLU B 91 19.549 3.746 -3.829 1.00 74.02 H new ATOM 1553 N VAL B 92 16.205 4.249 -7.751 1.00 33.53 N ATOM 1554 CA VAL B 92 15.625 3.874 -9.038 1.00 2.41 C ATOM 1555 C VAL B 92 15.923 4.935 -10.073 1.00 32.32 C ATOM 1556 O VAL B 92 16.548 5.958 -9.766 1.00 23.34 O ATOM 1557 CB VAL B 92 14.077 3.638 -8.982 1.00 63.23 C ATOM 1558 CG1 VAL B 92 13.719 2.503 -8.048 1.00 12.32 C ATOM 1559 CG2 VAL B 92 13.321 4.912 -8.605 1.00 4.10 C ATOM 0 H VAL B 92 15.980 5.196 -7.446 1.00 33.53 H new ATOM 0 HA VAL B 92 16.087 2.925 -9.311 1.00 2.41 H new ATOM 0 HB VAL B 92 13.765 3.354 -9.987 1.00 63.23 H new ATOM 0 HG11 VAL B 92 12.637 2.369 -8.036 1.00 12.32 H new ATOM 0 HG12 VAL B 92 14.194 1.585 -8.393 1.00 12.32 H new ATOM 0 HG13 VAL B 92 14.067 2.736 -7.042 1.00 12.32 H new ATOM 0 HG21 VAL B 92 12.251 4.705 -8.577 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.650 5.254 -7.624 1.00 4.10 H new ATOM 0 HG23 VAL B 92 13.522 5.687 -9.345 1.00 4.10 H new ATOM 1569 N SER B 93 15.492 4.699 -11.276 1.00 35.42 N ATOM 1570 CA SER B 93 15.672 5.628 -12.343 1.00 0.14 C ATOM 1571 C SER B 93 14.545 6.668 -12.350 1.00 54.44 C ATOM 1572 O SER B 93 13.452 6.433 -11.804 1.00 24.14 O ATOM 1573 CB SER B 93 15.768 4.861 -13.649 1.00 23.34 C ATOM 1574 OG SER B 93 16.870 3.952 -13.584 1.00 1.11 O ATOM 0 H SER B 93 15.001 3.846 -11.544 1.00 35.42 H new ATOM 0 HA SER B 93 16.599 6.184 -12.207 1.00 0.14 H new ATOM 0 HB2 SER B 93 14.842 4.316 -13.832 1.00 23.34 H new ATOM 0 HB3 SER B 93 15.901 5.552 -14.481 1.00 23.34 H new ATOM 0 HG SER B 93 16.933 3.454 -14.426 1.00 1.11 H new ATOM 1580 N ARG B 94 14.822 7.826 -12.923 1.00 33.45 N ATOM 1581 CA ARG B 94 13.866 8.930 -12.942 1.00 2.32 C ATOM 1582 C ARG B 94 12.598 8.572 -13.686 1.00 72.10 C ATOM 1583 O ARG B 94 11.505 8.878 -13.235 1.00 61.25 O ATOM 1584 CB ARG B 94 14.478 10.193 -13.525 1.00 73.14 C ATOM 1585 CG ARG B 94 15.727 10.638 -12.814 1.00 54.32 C ATOM 1586 CD ARG B 94 16.198 11.988 -13.292 1.00 53.33 C ATOM 1587 NE ARG B 94 16.438 12.059 -14.731 1.00 21.14 N ATOM 1588 CZ ARG B 94 17.114 13.045 -15.327 1.00 13.43 C ATOM 1589 NH1 ARG B 94 17.786 13.936 -14.595 1.00 20.31 N ATOM 1590 NH2 ARG B 94 17.154 13.105 -16.642 1.00 44.34 N ATOM 0 H ARG B 94 15.707 8.031 -13.386 1.00 33.45 H new ATOM 0 HA ARG B 94 13.602 9.125 -11.903 1.00 2.32 H new ATOM 0 HB2 ARG B 94 14.709 10.023 -14.577 1.00 73.14 H new ATOM 0 HB3 ARG B 94 13.742 10.996 -13.486 1.00 73.14 H new ATOM 0 HG2 ARG B 94 15.539 10.679 -11.741 1.00 54.32 H new ATOM 0 HG3 ARG B 94 16.516 9.902 -12.971 1.00 54.32 H new ATOM 0 HD2 ARG B 94 15.455 12.738 -13.021 1.00 53.33 H new ATOM 0 HD3 ARG B 94 17.118 12.247 -12.768 1.00 53.33 H new ATOM 0 HE ARG B 94 16.067 11.310 -15.316 1.00 21.14 H new ATOM 0 HH11 ARG B 94 17.784 13.865 -13.577 1.00 20.31 H new ATOM 0 HH12 ARG B 94 18.301 14.688 -15.053 1.00 20.31 H new ATOM 0 HH21 ARG B 94 16.670 12.401 -17.200 1.00 44.34 H new ATOM 0 HH22 ARG B 94 17.669 13.856 -17.103 1.00 44.34 H new ATOM 1604 N GLN B 95 12.751 7.890 -14.801 1.00 63.51 N ATOM 1605 CA GLN B 95 11.623 7.518 -15.635 1.00 73.10 C ATOM 1606 C GLN B 95 10.712 6.527 -14.898 1.00 21.43 C ATOM 1607 O GLN B 95 9.497 6.493 -15.123 1.00 63.01 O ATOM 1608 CB GLN B 95 12.106 6.945 -16.959 1.00 14.11 C ATOM 1609 CG GLN B 95 11.018 6.780 -17.996 1.00 34.33 C ATOM 1610 CD GLN B 95 11.537 6.229 -19.297 1.00 13.43 C ATOM 1611 OE1 GLN B 95 12.507 5.463 -19.324 1.00 35.21 O ATOM 1612 NE2 GLN B 95 10.934 6.624 -20.379 1.00 24.53 N ATOM 0 H GLN B 95 13.655 7.578 -15.156 1.00 63.51 H new ATOM 0 HA GLN B 95 11.038 8.412 -15.851 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.882 7.596 -17.363 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.568 5.975 -16.775 1.00 14.11 H new ATOM 0 HG2 GLN B 95 10.247 6.115 -17.606 1.00 34.33 H new ATOM 0 HG3 GLN B 95 10.545 7.745 -18.177 1.00 34.33 H new ATOM 0 HE21 GLN B 95 10.136 7.257 -20.316 1.00 24.53 H new ATOM 0 HE22 GLN B 95 11.258 6.301 -21.291 1.00 24.53 H new ATOM 1621 N THR B 96 11.303 5.755 -14.005 1.00 21.22 N ATOM 1622 CA THR B 96 10.588 4.795 -13.198 1.00 0.23 C ATOM 1623 C THR B 96 9.567 5.516 -12.286 1.00 24.14 C ATOM 1624 O THR B 96 8.374 5.190 -12.288 1.00 5.35 O ATOM 1625 CB THR B 96 11.605 4.039 -12.331 1.00 71.41 C ATOM 1626 OG1 THR B 96 12.695 3.618 -13.169 1.00 40.00 O ATOM 1627 CG2 THR B 96 10.975 2.822 -11.667 1.00 50.43 C ATOM 0 H THR B 96 12.306 5.781 -13.821 1.00 21.22 H new ATOM 0 HA THR B 96 10.048 4.102 -13.844 1.00 0.23 H new ATOM 0 HB THR B 96 11.958 4.704 -11.542 1.00 71.41 H new ATOM 0 HG1 THR B 96 13.355 3.135 -12.629 1.00 40.00 H new ATOM 0 HG21 THR B 96 11.723 2.310 -11.061 1.00 50.43 H new ATOM 0 HG22 THR B 96 10.149 3.141 -11.031 1.00 50.43 H new ATOM 0 HG23 THR B 96 10.602 2.142 -12.433 1.00 50.43 H new ATOM 1635 N ILE B 97 10.034 6.526 -11.554 1.00 3.24 N ATOM 1636 CA ILE B 97 9.159 7.281 -10.659 1.00 15.23 C ATOM 1637 C ILE B 97 8.230 8.186 -11.500 1.00 54.43 C ATOM 1638 O ILE B 97 7.062 8.380 -11.157 1.00 12.25 O ATOM 1639 CB ILE B 97 10.002 8.071 -9.558 1.00 61.33 C ATOM 1640 CG1 ILE B 97 9.144 8.651 -8.382 1.00 13.20 C ATOM 1641 CG2 ILE B 97 10.869 9.158 -10.173 1.00 12.10 C ATOM 1642 CD1 ILE B 97 8.288 9.873 -8.695 1.00 15.23 C ATOM 0 H ILE B 97 11.005 6.839 -11.562 1.00 3.24 H new ATOM 0 HA ILE B 97 8.523 6.599 -10.095 1.00 15.23 H new ATOM 0 HB ILE B 97 10.650 7.314 -9.117 1.00 61.33 H new ATOM 0 HG12 ILE B 97 8.488 7.860 -8.018 1.00 13.20 H new ATOM 0 HG13 ILE B 97 9.817 8.908 -7.564 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.424 9.669 -9.386 1.00 12.10 H new ATOM 0 HG22 ILE B 97 11.568 8.710 -10.879 1.00 12.10 H new ATOM 0 HG23 ILE B 97 10.237 9.876 -10.695 1.00 12.10 H new ATOM 0 HD11 ILE B 97 7.744 10.175 -7.800 1.00 15.23 H new ATOM 0 HD12 ILE B 97 8.928 10.691 -9.024 1.00 15.23 H new ATOM 0 HD13 ILE B 97 7.578 9.627 -9.485 1.00 15.23 H new ATOM 1654 N ASN B 98 8.738 8.639 -12.649 1.00 30.33 N ATOM 1655 CA ASN B 98 7.984 9.474 -13.600 1.00 60.42 C ATOM 1656 C ASN B 98 6.754 8.696 -14.090 1.00 3.24 C ATOM 1657 O ASN B 98 5.674 9.246 -14.260 1.00 13.11 O ATOM 1658 CB ASN B 98 8.895 9.837 -14.789 1.00 64.50 C ATOM 1659 CG ASN B 98 8.311 10.837 -15.786 1.00 24.43 C ATOM 1660 OD1 ASN B 98 8.599 10.766 -16.991 1.00 33.15 O ATOM 1661 ND2 ASN B 98 7.552 11.800 -15.316 1.00 74.02 N ATOM 0 H ASN B 98 9.691 8.438 -12.952 1.00 30.33 H new ATOM 0 HA ASN B 98 7.653 10.391 -13.113 1.00 60.42 H new ATOM 0 HB2 ASN B 98 9.828 10.243 -14.398 1.00 64.50 H new ATOM 0 HB3 ASN B 98 9.146 8.921 -15.325 1.00 64.50 H new ATOM 0 HD21 ASN B 98 7.184 12.513 -15.946 1.00 74.02 H new ATOM 0 HD22 ASN B 98 7.330 11.835 -14.321 1.00 74.02 H new ATOM 1668 N GLY B 99 6.947 7.399 -14.286 1.00 32.15 N ATOM 1669 CA GLY B 99 5.873 6.513 -14.686 1.00 62.40 C ATOM 1670 C GLY B 99 4.809 6.372 -13.600 1.00 51.22 C ATOM 1671 O GLY B 99 3.613 6.238 -13.899 1.00 73.51 O ATOM 0 H GLY B 99 7.849 6.937 -14.172 1.00 32.15 H new ATOM 0 HA2 GLY B 99 5.412 6.892 -15.598 1.00 62.40 H new ATOM 0 HA3 GLY B 99 6.283 5.531 -14.921 1.00 62.40 H new ATOM 1675 N ILE B 100 5.238 6.405 -12.344 1.00 55.13 N ATOM 1676 CA ILE B 100 4.323 6.303 -11.209 1.00 14.23 C ATOM 1677 C ILE B 100 3.497 7.584 -11.079 1.00 12.31 C ATOM 1678 O ILE B 100 2.308 7.533 -10.761 1.00 62.21 O ATOM 1679 CB ILE B 100 5.070 5.993 -9.870 1.00 13.40 C ATOM 1680 CG1 ILE B 100 5.835 4.664 -9.976 1.00 21.05 C ATOM 1681 CG2 ILE B 100 4.094 5.939 -8.688 1.00 62.42 C ATOM 1682 CD1 ILE B 100 4.951 3.446 -10.213 1.00 51.13 C ATOM 0 H ILE B 100 6.219 6.502 -12.083 1.00 55.13 H new ATOM 0 HA ILE B 100 3.656 5.463 -11.404 1.00 14.23 H new ATOM 0 HB ILE B 100 5.780 6.801 -9.692 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.556 4.738 -10.790 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.404 4.512 -9.059 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.643 5.722 -7.772 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.589 6.900 -8.589 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.355 5.157 -8.862 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.572 2.552 -10.275 1.00 51.13 H new ATOM 0 HD12 ILE B 100 4.246 3.342 -9.388 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.401 3.571 -11.146 1.00 51.13 H new ATOM 1694 N GLU B 101 4.124 8.730 -11.372 1.00 42.35 N ATOM 1695 CA GLU B 101 3.427 10.032 -11.358 1.00 14.13 C ATOM 1696 C GLU B 101 2.257 10.007 -12.333 1.00 62.12 C ATOM 1697 O GLU B 101 1.232 10.648 -12.112 1.00 33.44 O ATOM 1698 CB GLU B 101 4.355 11.160 -11.816 1.00 72.22 C ATOM 1699 CG GLU B 101 5.682 11.249 -11.106 1.00 22.14 C ATOM 1700 CD GLU B 101 6.509 12.401 -11.613 1.00 2.35 C ATOM 1701 OE1 GLU B 101 6.689 12.532 -12.855 1.00 14.03 O ATOM 1702 OE2 GLU B 101 6.950 13.215 -10.799 1.00 12.42 O ATOM 0 H GLU B 101 5.111 8.787 -11.622 1.00 42.35 H new ATOM 0 HA GLU B 101 3.093 10.206 -10.335 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.543 11.039 -12.883 1.00 72.22 H new ATOM 0 HB3 GLU B 101 3.833 12.108 -11.690 1.00 72.22 H new ATOM 0 HG2 GLU B 101 5.515 11.365 -10.035 1.00 22.14 H new ATOM 0 HG3 GLU B 101 6.232 10.318 -11.244 1.00 22.14 H new ATOM 1709 N LYS B 102 2.423 9.251 -13.391 1.00 72.42 N ATOM 1710 CA LYS B 102 1.431 9.136 -14.444 1.00 3.42 C ATOM 1711 C LYS B 102 0.505 7.954 -14.201 1.00 64.33 C ATOM 1712 O LYS B 102 -0.403 7.692 -15.001 1.00 74.05 O ATOM 1713 CB LYS B 102 2.139 8.943 -15.764 1.00 71.34 C ATOM 1714 CG LYS B 102 3.160 10.005 -16.051 1.00 73.40 C ATOM 1715 CD LYS B 102 3.805 9.769 -17.377 1.00 3.32 C ATOM 1716 CE LYS B 102 4.950 10.724 -17.615 1.00 11.20 C ATOM 1717 NZ LYS B 102 4.545 12.144 -17.534 1.00 30.21 N ATOM 0 H LYS B 102 3.259 8.690 -13.551 1.00 72.42 H new ATOM 0 HA LYS B 102 0.832 10.046 -14.456 1.00 3.42 H new ATOM 0 HB2 LYS B 102 2.628 7.969 -15.767 1.00 71.34 H new ATOM 0 HB3 LYS B 102 1.401 8.932 -16.566 1.00 71.34 H new ATOM 0 HG2 LYS B 102 2.685 10.986 -16.041 1.00 73.40 H new ATOM 0 HG3 LYS B 102 3.918 10.010 -15.268 1.00 73.40 H new ATOM 0 HD2 LYS B 102 4.169 8.743 -17.428 1.00 3.32 H new ATOM 0 HD3 LYS B 102 3.064 9.884 -18.168 1.00 3.32 H new ATOM 0 HE2 LYS B 102 5.733 10.533 -16.882 1.00 11.20 H new ATOM 0 HE3 LYS B 102 5.379 10.530 -18.598 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 5.341 12.749 -17.821 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 3.737 12.311 -18.167 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 4.272 12.372 -16.557 1.00 30.21 H new ATOM 1731 N ASN B 103 0.752 7.230 -13.088 1.00 21.34 N ATOM 1732 CA ASN B 103 -0.004 6.011 -12.710 1.00 41.10 C ATOM 1733 C ASN B 103 0.043 5.009 -13.888 1.00 30.41 C ATOM 1734 O ASN B 103 -0.839 4.189 -14.074 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.471 6.428 -12.343 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.341 5.400 -11.562 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -3.174 5.797 -10.757 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -2.237 4.134 -11.839 1.00 15.22 N ATOM 0 H ASN B 103 1.485 7.474 -12.422 1.00 21.34 H new ATOM 0 HA ASN B 103 0.435 5.522 -11.841 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -1.422 7.343 -11.753 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -1.992 6.673 -13.269 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -2.853 3.460 -11.384 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -1.539 3.815 -12.511 1.00 15.22 H new ATOM 1745 N LYS B 104 1.136 5.021 -14.634 1.00 23.05 N ATOM 1746 CA LYS B 104 1.202 4.224 -15.841 1.00 71.21 C ATOM 1747 C LYS B 104 2.368 3.240 -15.758 1.00 63.12 C ATOM 1748 O LYS B 104 2.841 2.694 -16.756 1.00 54.40 O ATOM 1749 CB LYS B 104 1.327 5.138 -17.066 1.00 54.41 C ATOM 1750 CG LYS B 104 0.893 4.468 -18.354 1.00 51.33 C ATOM 1751 CD LYS B 104 1.055 5.366 -19.553 1.00 14.11 C ATOM 1752 CE LYS B 104 0.504 4.684 -20.786 1.00 53.22 C ATOM 1753 NZ LYS B 104 0.740 5.463 -22.008 1.00 30.43 N ATOM 0 H LYS B 104 1.974 5.565 -14.428 1.00 23.05 H new ATOM 0 HA LYS B 104 0.283 3.646 -15.943 1.00 71.21 H new ATOM 0 HB2 LYS B 104 0.724 6.032 -16.908 1.00 54.41 H new ATOM 0 HB3 LYS B 104 2.362 5.465 -17.164 1.00 54.41 H new ATOM 0 HG2 LYS B 104 1.477 3.560 -18.502 1.00 51.33 H new ATOM 0 HG3 LYS B 104 -0.151 4.165 -18.269 1.00 51.33 H new ATOM 0 HD2 LYS B 104 0.534 6.309 -19.385 1.00 14.11 H new ATOM 0 HD3 LYS B 104 2.108 5.605 -19.699 1.00 14.11 H new ATOM 0 HE2 LYS B 104 0.963 3.701 -20.890 1.00 53.22 H new ATOM 0 HE3 LYS B 104 -0.567 4.524 -20.661 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 0.345 4.955 -22.825 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 0.280 6.392 -21.922 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 1.763 5.595 -22.144 1.00 30.43 H new ATOM 1767 N TYR B 105 2.800 2.991 -14.556 1.00 74.05 N ATOM 1768 CA TYR B 105 3.882 2.058 -14.332 1.00 12.53 C ATOM 1769 C TYR B 105 3.405 1.003 -13.331 1.00 13.41 C ATOM 1770 O TYR B 105 4.178 0.158 -12.874 1.00 2.12 O ATOM 1771 CB TYR B 105 5.134 2.813 -13.828 1.00 73.50 C ATOM 1772 CG TYR B 105 6.420 2.010 -13.870 1.00 32.23 C ATOM 1773 CD1 TYR B 105 7.076 1.790 -15.073 1.00 62.14 C ATOM 1774 CD2 TYR B 105 6.979 1.476 -12.714 1.00 33.20 C ATOM 1775 CE1 TYR B 105 8.244 1.061 -15.127 1.00 3.04 C ATOM 1776 CE2 TYR B 105 8.148 0.745 -12.760 1.00 1.32 C ATOM 1777 CZ TYR B 105 8.777 0.542 -13.970 1.00 33.11 C ATOM 1778 OH TYR B 105 9.946 -0.193 -14.022 1.00 24.32 O ATOM 0 H TYR B 105 2.423 3.418 -13.710 1.00 74.05 H new ATOM 0 HA TYR B 105 4.163 1.559 -15.259 1.00 12.53 H new ATOM 0 HB2 TYR B 105 5.264 3.713 -14.428 1.00 73.50 H new ATOM 0 HB3 TYR B 105 4.958 3.137 -12.802 1.00 73.50 H new ATOM 0 HD1 TYR B 105 6.663 2.198 -15.984 1.00 62.14 H new ATOM 0 HD2 TYR B 105 6.490 1.636 -11.765 1.00 33.20 H new ATOM 0 HE1 TYR B 105 8.739 0.898 -16.073 1.00 3.04 H new ATOM 0 HE2 TYR B 105 8.568 0.334 -11.854 1.00 1.32 H new ATOM 0 HH TYR B 105 10.188 -0.486 -13.119 1.00 24.32 H new ATOM 1788 N ASN B 106 2.087 1.034 -13.075 1.00 43.42 N ATOM 1789 CA ASN B 106 1.394 0.191 -12.087 1.00 41.25 C ATOM 1790 C ASN B 106 1.832 0.531 -10.668 1.00 40.41 C ATOM 1791 O ASN B 106 3.014 0.390 -10.326 1.00 21.44 O ATOM 1792 CB ASN B 106 1.571 -1.317 -12.371 1.00 44.44 C ATOM 1793 CG ASN B 106 0.795 -2.210 -11.407 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -0.281 -1.847 -10.910 1.00 64.13 O ATOM 1795 ND2 ASN B 106 1.330 -3.364 -11.120 1.00 53.45 N ATOM 0 H ASN B 106 1.455 1.666 -13.565 1.00 43.42 H new ATOM 0 HA ASN B 106 0.330 0.411 -12.180 1.00 41.25 H new ATOM 0 HB2 ASN B 106 1.247 -1.528 -13.390 1.00 44.44 H new ATOM 0 HB3 ASN B 106 2.630 -1.568 -12.315 1.00 44.44 H new ATOM 0 HD21 ASN B 106 0.862 -3.996 -10.470 1.00 53.45 H new ATOM 0 HD22 ASN B 106 2.217 -3.635 -11.545 1.00 53.45 H new ATOM 1802 N PRO B 107 0.898 1.033 -9.829 1.00 2.41 N ATOM 1803 CA PRO B 107 1.182 1.351 -8.434 1.00 33.40 C ATOM 1804 C PRO B 107 1.672 0.122 -7.675 1.00 61.13 C ATOM 1805 O PRO B 107 0.891 -0.718 -7.215 1.00 2.50 O ATOM 1806 CB PRO B 107 -0.156 1.850 -7.872 1.00 23.24 C ATOM 1807 CG PRO B 107 -0.940 2.251 -9.071 1.00 52.51 C ATOM 1808 CD PRO B 107 -0.502 1.336 -10.178 1.00 12.41 C ATOM 0 HA PRO B 107 1.974 2.093 -8.336 1.00 33.40 H new ATOM 0 HB2 PRO B 107 -0.665 1.068 -7.308 1.00 23.24 H new ATOM 0 HB3 PRO B 107 -0.012 2.690 -7.193 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -2.010 2.156 -8.887 1.00 52.51 H new ATOM 0 HG3 PRO B 107 -0.752 3.293 -9.329 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -1.111 0.433 -10.219 1.00 12.41 H new ATOM 0 HD3 PRO B 107 -0.579 1.817 -11.153 1.00 12.41 H new ATOM 1816 N SER B 108 2.962 -0.005 -7.629 1.00 32.11 N ATOM 1817 CA SER B 108 3.607 -1.093 -6.990 1.00 31.54 C ATOM 1818 C SER B 108 3.797 -0.702 -5.554 1.00 35.33 C ATOM 1819 O SER B 108 4.248 0.415 -5.284 1.00 31.14 O ATOM 1820 CB SER B 108 4.925 -1.327 -7.695 1.00 33.24 C ATOM 1821 OG SER B 108 4.702 -1.468 -9.107 1.00 63.24 O ATOM 0 H SER B 108 3.606 0.666 -8.048 1.00 32.11 H new ATOM 0 HA SER B 108 3.032 -2.018 -7.033 1.00 31.54 H new ATOM 0 HB2 SER B 108 5.602 -0.494 -7.506 1.00 33.24 H new ATOM 0 HB3 SER B 108 5.404 -2.223 -7.302 1.00 33.24 H new ATOM 0 HG SER B 108 4.229 -0.678 -9.444 1.00 63.24 H new ATOM 1827 N LEU B 109 3.460 -1.591 -4.644 1.00 41.22 N ATOM 1828 CA LEU B 109 3.399 -1.235 -3.253 1.00 3.42 C ATOM 1829 C LEU B 109 4.748 -0.823 -2.702 1.00 71.35 C ATOM 1830 O LEU B 109 4.843 0.243 -2.158 1.00 31.14 O ATOM 1831 CB LEU B 109 2.671 -2.318 -2.404 1.00 34.44 C ATOM 1832 CG LEU B 109 2.312 -1.967 -0.922 1.00 23.40 C ATOM 1833 CD1 LEU B 109 3.514 -2.081 0.010 1.00 22.03 C ATOM 1834 CD2 LEU B 109 1.704 -0.556 -0.831 1.00 44.53 C ATOM 0 H LEU B 109 3.225 -2.563 -4.847 1.00 41.22 H new ATOM 0 HA LEU B 109 2.779 -0.342 -3.175 1.00 3.42 H new ATOM 0 HB2 LEU B 109 1.747 -2.581 -2.919 1.00 34.44 H new ATOM 0 HB3 LEU B 109 3.296 -3.211 -2.394 1.00 34.44 H new ATOM 0 HG LEU B 109 1.574 -2.699 -0.594 1.00 23.40 H new ATOM 0 HD11 LEU B 109 3.212 -1.827 1.026 1.00 22.03 H new ATOM 0 HD12 LEU B 109 3.895 -3.102 -0.011 1.00 22.03 H new ATOM 0 HD13 LEU B 109 4.295 -1.395 -0.318 1.00 22.03 H new ATOM 0 HD21 LEU B 109 1.461 -0.331 0.207 1.00 44.53 H new ATOM 0 HD22 LEU B 109 2.423 0.175 -1.202 1.00 44.53 H new ATOM 0 HD23 LEU B 109 0.797 -0.511 -1.434 1.00 44.53 H new ATOM 1846 N GLN B 110 5.785 -1.633 -2.880 1.00 2.30 N ATOM 1847 CA GLN B 110 7.120 -1.293 -2.353 1.00 25.44 C ATOM 1848 C GLN B 110 7.617 0.058 -2.892 1.00 14.52 C ATOM 1849 O GLN B 110 8.045 0.923 -2.126 1.00 12.34 O ATOM 1850 CB GLN B 110 8.132 -2.408 -2.673 1.00 43.20 C ATOM 1851 CG GLN B 110 9.569 -2.125 -2.212 1.00 23.12 C ATOM 1852 CD GLN B 110 9.703 -1.950 -0.703 1.00 1.11 C ATOM 1853 OE1 GLN B 110 9.593 -0.850 -0.181 1.00 21.35 O ATOM 1854 NE2 GLN B 110 9.963 -3.024 -0.008 1.00 45.30 N ATOM 0 H GLN B 110 5.739 -2.522 -3.378 1.00 2.30 H new ATOM 0 HA GLN B 110 7.031 -1.203 -1.270 1.00 25.44 H new ATOM 0 HB2 GLN B 110 7.792 -3.333 -2.207 1.00 43.20 H new ATOM 0 HB3 GLN B 110 8.137 -2.576 -3.750 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.213 -2.944 -2.533 1.00 23.12 H new ATOM 0 HG3 GLN B 110 9.930 -1.224 -2.707 1.00 23.12 H new ATOM 0 HE21 GLN B 110 10.048 -3.926 -0.476 1.00 45.30 H new ATOM 0 HE22 GLN B 110 10.081 -2.961 1.003 1.00 45.30 H new ATOM 1863 N LEU B 111 7.516 0.242 -4.197 1.00 33.52 N ATOM 1864 CA LEU B 111 7.970 1.468 -4.836 1.00 33.42 C ATOM 1865 C LEU B 111 7.170 2.682 -4.333 1.00 12.12 C ATOM 1866 O LEU B 111 7.739 3.723 -4.042 1.00 53.21 O ATOM 1867 CB LEU B 111 7.882 1.340 -6.364 1.00 75.22 C ATOM 1868 CG LEU B 111 8.474 2.493 -7.183 1.00 12.11 C ATOM 1869 CD1 LEU B 111 9.952 2.676 -6.864 1.00 72.44 C ATOM 1870 CD2 LEU B 111 8.288 2.229 -8.666 1.00 1.23 C ATOM 0 H LEU B 111 7.122 -0.445 -4.839 1.00 33.52 H new ATOM 0 HA LEU B 111 9.014 1.629 -4.567 1.00 33.42 H new ATOM 0 HB2 LEU B 111 8.385 0.419 -6.659 1.00 75.22 H new ATOM 0 HB3 LEU B 111 6.832 1.231 -6.637 1.00 75.22 H new ATOM 0 HG LEU B 111 7.948 3.410 -6.917 1.00 12.11 H new ATOM 0 HD11 LEU B 111 10.353 3.499 -7.456 1.00 72.44 H new ATOM 0 HD12 LEU B 111 10.070 2.900 -5.804 1.00 72.44 H new ATOM 0 HD13 LEU B 111 10.492 1.760 -7.104 1.00 72.44 H new ATOM 0 HD21 LEU B 111 8.712 3.054 -9.238 1.00 1.23 H new ATOM 0 HD22 LEU B 111 8.793 1.302 -8.937 1.00 1.23 H new ATOM 0 HD23 LEU B 111 7.225 2.141 -8.889 1.00 1.23 H new ATOM 1882 N ALA B 112 5.873 2.508 -4.179 1.00 72.35 N ATOM 1883 CA ALA B 112 5.000 3.573 -3.696 1.00 41.10 C ATOM 1884 C ALA B 112 5.259 3.845 -2.217 1.00 44.34 C ATOM 1885 O ALA B 112 5.267 4.992 -1.771 1.00 24.52 O ATOM 1886 CB ALA B 112 3.540 3.216 -3.922 1.00 4.33 C ATOM 0 H ALA B 112 5.391 1.632 -4.382 1.00 72.35 H new ATOM 0 HA ALA B 112 5.222 4.479 -4.260 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.907 4.024 -3.555 1.00 4.33 H new ATOM 0 HB2 ALA B 112 3.362 3.071 -4.987 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.303 2.297 -3.386 1.00 4.33 H new ATOM 1892 N LEU B 113 5.486 2.777 -1.484 1.00 33.43 N ATOM 1893 CA LEU B 113 5.701 2.788 -0.054 1.00 23.45 C ATOM 1894 C LEU B 113 6.941 3.592 0.298 1.00 50.21 C ATOM 1895 O LEU B 113 6.937 4.389 1.235 1.00 21.23 O ATOM 1896 CB LEU B 113 5.892 1.350 0.401 1.00 32.41 C ATOM 1897 CG LEU B 113 5.788 1.082 1.870 1.00 61.44 C ATOM 1898 CD1 LEU B 113 4.385 1.409 2.331 1.00 11.43 C ATOM 1899 CD2 LEU B 113 6.121 -0.374 2.145 1.00 70.53 C ATOM 0 H LEU B 113 5.527 1.840 -1.884 1.00 33.43 H new ATOM 0 HA LEU B 113 4.844 3.246 0.440 1.00 23.45 H new ATOM 0 HB2 LEU B 113 5.153 0.732 -0.109 1.00 32.41 H new ATOM 0 HB3 LEU B 113 6.873 1.016 0.064 1.00 32.41 H new ATOM 0 HG LEU B 113 6.495 1.705 2.418 1.00 61.44 H new ATOM 0 HD11 LEU B 113 4.299 1.217 3.401 1.00 11.43 H new ATOM 0 HD12 LEU B 113 4.173 2.460 2.133 1.00 11.43 H new ATOM 0 HD13 LEU B 113 3.671 0.787 1.792 1.00 11.43 H new ATOM 0 HD21 LEU B 113 6.045 -0.569 3.215 1.00 70.53 H new ATOM 0 HD22 LEU B 113 5.421 -1.015 1.609 1.00 70.53 H new ATOM 0 HD23 LEU B 113 7.136 -0.585 1.809 1.00 70.53 H new ATOM 1911 N LYS B 114 8.000 3.385 -0.456 1.00 52.33 N ATOM 1912 CA LYS B 114 9.217 4.122 -0.223 1.00 54.10 C ATOM 1913 C LYS B 114 9.060 5.604 -0.574 1.00 25.41 C ATOM 1914 O LYS B 114 9.614 6.463 0.114 1.00 42.33 O ATOM 1915 CB LYS B 114 10.458 3.454 -0.843 1.00 63.32 C ATOM 1916 CG LYS B 114 10.351 3.086 -2.313 1.00 23.52 C ATOM 1917 CD LYS B 114 11.628 2.416 -2.803 1.00 64.34 C ATOM 1918 CE LYS B 114 11.865 1.080 -2.108 1.00 3.10 C ATOM 1919 NZ LYS B 114 13.156 0.478 -2.494 1.00 33.32 N ATOM 0 H LYS B 114 8.040 2.719 -1.227 1.00 52.33 H new ATOM 0 HA LYS B 114 9.407 4.091 0.850 1.00 54.10 H new ATOM 0 HB2 LYS B 114 11.308 4.125 -0.718 1.00 63.32 H new ATOM 0 HB3 LYS B 114 10.680 2.549 -0.277 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.504 2.416 -2.463 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.157 3.982 -2.903 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.567 2.260 -3.880 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.477 3.075 -2.624 1.00 64.34 H new ATOM 0 HE2 LYS B 114 11.840 1.224 -1.028 1.00 3.10 H new ATOM 0 HE3 LYS B 114 11.056 0.393 -2.357 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 13.278 -0.429 -1.999 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 13.170 0.317 -3.521 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 13.931 1.121 -2.234 1.00 33.32 H new ATOM 1933 N ILE B 115 8.268 5.901 -1.614 1.00 54.11 N ATOM 1934 CA ILE B 115 7.946 7.299 -1.959 1.00 1.24 C ATOM 1935 C ILE B 115 7.221 7.932 -0.771 1.00 2.41 C ATOM 1936 O ILE B 115 7.555 9.038 -0.332 1.00 64.12 O ATOM 1937 CB ILE B 115 7.014 7.397 -3.214 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.680 6.777 -4.440 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.634 8.851 -3.499 1.00 5.22 C ATOM 1940 CD1 ILE B 115 6.802 6.735 -5.679 1.00 35.31 C ATOM 0 H ILE B 115 7.842 5.205 -2.226 1.00 54.11 H new ATOM 0 HA ILE B 115 8.878 7.815 -2.189 1.00 1.24 H new ATOM 0 HB ILE B 115 6.105 6.837 -2.996 1.00 62.52 H new ATOM 0 HG12 ILE B 115 8.585 7.340 -4.670 1.00 62.35 H new ATOM 0 HG13 ILE B 115 7.990 5.761 -4.195 1.00 62.35 H new ATOM 0 HG21 ILE B 115 5.987 8.893 -4.375 1.00 5.22 H new ATOM 0 HG22 ILE B 115 6.108 9.265 -2.639 1.00 5.22 H new ATOM 0 HG23 ILE B 115 7.536 9.433 -3.687 1.00 5.22 H new ATOM 0 HD11 ILE B 115 7.354 6.280 -6.501 1.00 35.31 H new ATOM 0 HD12 ILE B 115 5.908 6.146 -5.472 1.00 35.31 H new ATOM 0 HD13 ILE B 115 6.513 7.749 -5.954 1.00 35.31 H new ATOM 1952 N ALA B 116 6.301 7.164 -0.213 1.00 44.20 N ATOM 1953 CA ALA B 116 5.489 7.574 0.918 1.00 11.21 C ATOM 1954 C ALA B 116 6.356 7.859 2.118 1.00 70.10 C ATOM 1955 O ALA B 116 6.164 8.843 2.817 1.00 34.45 O ATOM 1956 CB ALA B 116 4.516 6.476 1.269 1.00 53.40 C ATOM 0 H ALA B 116 6.094 6.220 -0.540 1.00 44.20 H new ATOM 0 HA ALA B 116 4.949 8.480 0.643 1.00 11.21 H new ATOM 0 HB1 ALA B 116 3.908 6.787 2.118 1.00 53.40 H new ATOM 0 HB2 ALA B 116 3.870 6.275 0.414 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.066 5.571 1.528 1.00 53.40 H new ATOM 1962 N TYR B 117 7.308 6.988 2.342 1.00 50.04 N ATOM 1963 CA TYR B 117 8.223 7.109 3.437 1.00 11.22 C ATOM 1964 C TYR B 117 9.136 8.335 3.301 1.00 40.54 C ATOM 1965 O TYR B 117 9.254 9.118 4.234 1.00 51.22 O ATOM 1966 CB TYR B 117 9.030 5.813 3.595 1.00 31.54 C ATOM 1967 CG TYR B 117 10.197 5.925 4.537 1.00 42.44 C ATOM 1968 CD1 TYR B 117 10.023 5.951 5.913 1.00 73.13 C ATOM 1969 CD2 TYR B 117 11.473 6.026 4.035 1.00 52.31 C ATOM 1970 CE1 TYR B 117 11.105 6.074 6.760 1.00 33.41 C ATOM 1971 CE2 TYR B 117 12.562 6.150 4.864 1.00 14.05 C ATOM 1972 CZ TYR B 117 12.375 6.175 6.228 1.00 45.04 C ATOM 1973 OH TYR B 117 13.464 6.292 7.063 1.00 12.24 O ATOM 0 H TYR B 117 7.467 6.167 1.759 1.00 50.04 H new ATOM 0 HA TYR B 117 7.640 7.266 4.345 1.00 11.22 H new ATOM 0 HB2 TYR B 117 8.365 5.025 3.950 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.396 5.504 2.616 1.00 31.54 H new ATOM 0 HD1 TYR B 117 9.028 5.874 6.326 1.00 73.13 H new ATOM 0 HD2 TYR B 117 11.623 6.007 2.966 1.00 52.31 H new ATOM 0 HE1 TYR B 117 10.960 6.091 7.830 1.00 33.41 H new ATOM 0 HE2 TYR B 117 13.556 6.227 4.449 1.00 14.05 H new ATOM 0 HH TYR B 117 14.282 6.351 6.527 1.00 12.24 H new ATOM 1983 N TYR B 118 9.757 8.521 2.146 1.00 52.41 N ATOM 1984 CA TYR B 118 10.687 9.647 1.971 1.00 3.45 C ATOM 1985 C TYR B 118 9.978 10.988 1.959 1.00 25.43 C ATOM 1986 O TYR B 118 10.538 11.999 2.363 1.00 40.30 O ATOM 1987 CB TYR B 118 11.589 9.481 0.751 1.00 51.32 C ATOM 1988 CG TYR B 118 12.611 8.378 0.907 1.00 74.11 C ATOM 1989 CD1 TYR B 118 13.704 8.541 1.744 1.00 25.42 C ATOM 1990 CD2 TYR B 118 12.491 7.190 0.220 1.00 1.22 C ATOM 1991 CE1 TYR B 118 14.643 7.546 1.886 1.00 72.42 C ATOM 1992 CE2 TYR B 118 13.419 6.188 0.357 1.00 0.00 C ATOM 1993 CZ TYR B 118 14.494 6.369 1.191 1.00 75.33 C ATOM 1994 OH TYR B 118 15.436 5.373 1.311 1.00 10.50 O ATOM 0 H TYR B 118 9.644 7.925 1.326 1.00 52.41 H new ATOM 0 HA TYR B 118 11.335 9.635 2.848 1.00 3.45 H new ATOM 0 HB2 TYR B 118 10.971 9.273 -0.123 1.00 51.32 H new ATOM 0 HB3 TYR B 118 12.106 10.421 0.560 1.00 51.32 H new ATOM 0 HD1 TYR B 118 13.820 9.464 2.293 1.00 25.42 H new ATOM 0 HD2 TYR B 118 11.649 7.044 -0.440 1.00 1.22 H new ATOM 0 HE1 TYR B 118 15.491 7.688 2.539 1.00 72.42 H new ATOM 0 HE2 TYR B 118 13.304 5.263 -0.188 1.00 0.00 H new ATOM 0 HH TYR B 118 15.177 4.609 0.754 1.00 10.50 H new ATOM 2004 N LEU B 119 8.756 10.992 1.518 1.00 43.52 N ATOM 2005 CA LEU B 119 7.966 12.204 1.542 1.00 35.04 C ATOM 2006 C LEU B 119 7.263 12.352 2.889 1.00 52.42 C ATOM 2007 O LEU B 119 6.702 13.404 3.192 1.00 34.31 O ATOM 2008 CB LEU B 119 6.956 12.238 0.384 1.00 34.25 C ATOM 2009 CG LEU B 119 7.560 12.294 -1.029 1.00 75.05 C ATOM 2010 CD1 LEU B 119 6.470 12.261 -2.082 1.00 73.24 C ATOM 2011 CD2 LEU B 119 8.421 13.539 -1.201 1.00 30.33 C ATOM 0 H LEU B 119 8.278 10.176 1.136 1.00 43.52 H new ATOM 0 HA LEU B 119 8.640 13.051 1.410 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.323 11.354 0.453 1.00 34.25 H new ATOM 0 HB3 LEU B 119 6.309 13.105 0.517 1.00 34.25 H new ATOM 0 HG LEU B 119 8.193 11.416 -1.158 1.00 75.05 H new ATOM 0 HD11 LEU B 119 6.921 12.302 -3.074 1.00 73.24 H new ATOM 0 HD12 LEU B 119 5.895 11.340 -1.982 1.00 73.24 H new ATOM 0 HD13 LEU B 119 5.809 13.117 -1.949 1.00 73.24 H new ATOM 0 HD21 LEU B 119 8.838 13.557 -2.208 1.00 30.33 H new ATOM 0 HD22 LEU B 119 7.810 14.428 -1.045 1.00 30.33 H new ATOM 0 HD23 LEU B 119 9.232 13.524 -0.473 1.00 30.33 H new ATOM 2022 N ASN B 120 7.349 11.294 3.697 1.00 23.44 N ATOM 2023 CA ASN B 120 6.687 11.172 5.003 1.00 34.54 C ATOM 2024 C ASN B 120 5.219 11.515 4.863 1.00 23.31 C ATOM 2025 O ASN B 120 4.726 12.529 5.373 1.00 53.04 O ATOM 2026 CB ASN B 120 7.355 12.016 6.104 1.00 0.13 C ATOM 2027 CG ASN B 120 6.765 11.730 7.482 1.00 2.32 C ATOM 2028 OD1 ASN B 120 6.345 10.604 7.776 1.00 41.33 O ATOM 2029 ND2 ASN B 120 6.712 12.731 8.325 1.00 61.11 N ATOM 0 H ASN B 120 7.899 10.470 3.455 1.00 23.44 H new ATOM 0 HA ASN B 120 6.790 10.136 5.325 1.00 34.54 H new ATOM 0 HB2 ASN B 120 8.425 11.811 6.118 1.00 0.13 H new ATOM 0 HB3 ASN B 120 7.236 13.074 5.872 1.00 0.13 H new ATOM 0 HD21 ASN B 120 6.316 12.594 9.255 1.00 61.11 H new ATOM 0 HD22 ASN B 120 7.067 13.647 8.052 1.00 61.11 H new ATOM 2036 N THR B 121 4.550 10.732 4.081 1.00 45.02 N ATOM 2037 CA THR B 121 3.185 10.960 3.766 1.00 24.13 C ATOM 2038 C THR B 121 2.478 9.612 3.676 1.00 75.14 C ATOM 2039 O THR B 121 2.999 8.691 3.056 1.00 45.22 O ATOM 2040 CB THR B 121 3.096 11.689 2.402 1.00 33.24 C ATOM 2041 OG1 THR B 121 3.919 12.872 2.440 1.00 22.11 O ATOM 2042 CG2 THR B 121 1.668 12.087 2.081 1.00 53.13 C ATOM 0 H THR B 121 4.947 9.903 3.638 1.00 45.02 H new ATOM 0 HA THR B 121 2.714 11.574 4.533 1.00 24.13 H new ATOM 0 HB THR B 121 3.445 11.006 1.627 1.00 33.24 H new ATOM 0 HG1 THR B 121 3.460 13.605 1.979 1.00 22.11 H new ATOM 0 HG21 THR B 121 1.640 12.596 1.118 1.00 53.13 H new ATOM 0 HG22 THR B 121 1.043 11.195 2.038 1.00 53.13 H new ATOM 0 HG23 THR B 121 1.294 12.756 2.856 1.00 53.13 H new ATOM 2050 N PRO B 122 1.329 9.456 4.349 1.00 2.53 N ATOM 2051 CA PRO B 122 0.537 8.237 4.275 1.00 62.14 C ATOM 2052 C PRO B 122 0.138 7.918 2.835 1.00 22.43 C ATOM 2053 O PRO B 122 -0.175 8.831 2.049 1.00 73.34 O ATOM 2054 CB PRO B 122 -0.717 8.570 5.093 1.00 52.13 C ATOM 2055 CG PRO B 122 -0.294 9.658 6.007 1.00 3.21 C ATOM 2056 CD PRO B 122 0.730 10.448 5.255 1.00 22.03 C ATOM 0 HA PRO B 122 1.085 7.370 4.642 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -1.536 8.890 4.449 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -1.069 7.701 5.649 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -1.141 10.284 6.288 1.00 3.21 H new ATOM 0 HG3 PRO B 122 0.124 9.254 6.929 1.00 3.21 H new ATOM 0 HD2 PRO B 122 0.277 11.272 4.705 1.00 22.03 H new ATOM 0 HD3 PRO B 122 1.473 10.882 5.924 1.00 22.03 H new ATOM 2064 N LEU B 123 0.130 6.634 2.513 1.00 62.42 N ATOM 2065 CA LEU B 123 -0.246 6.133 1.192 1.00 13.13 C ATOM 2066 C LEU B 123 -1.613 6.646 0.789 1.00 71.12 C ATOM 2067 O LEU B 123 -1.823 6.976 -0.364 1.00 53.41 O ATOM 2068 CB LEU B 123 -0.254 4.582 1.147 1.00 34.12 C ATOM 2069 CG LEU B 123 1.098 3.834 1.205 1.00 42.20 C ATOM 2070 CD1 LEU B 123 1.998 4.226 0.044 1.00 35.04 C ATOM 2071 CD2 LEU B 123 1.801 3.993 2.548 1.00 13.21 C ATOM 0 H LEU B 123 0.388 5.896 3.169 1.00 62.42 H new ATOM 0 HA LEU B 123 0.504 6.500 0.491 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -0.863 4.230 1.979 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -0.761 4.280 0.230 1.00 34.12 H new ATOM 0 HG LEU B 123 0.874 2.772 1.105 1.00 42.20 H new ATOM 0 HD11 LEU B 123 2.940 3.683 0.114 1.00 35.04 H new ATOM 0 HD12 LEU B 123 1.506 3.979 -0.897 1.00 35.04 H new ATOM 0 HD13 LEU B 123 2.194 5.298 0.081 1.00 35.04 H new ATOM 0 HD21 LEU B 123 2.744 3.447 2.532 1.00 13.21 H new ATOM 0 HD22 LEU B 123 1.996 5.049 2.734 1.00 13.21 H new ATOM 0 HD23 LEU B 123 1.166 3.596 3.340 1.00 13.21 H new ATOM 2082 N GLU B 124 -2.516 6.744 1.765 1.00 41.15 N ATOM 2083 CA GLU B 124 -3.880 7.235 1.547 1.00 25.13 C ATOM 2084 C GLU B 124 -3.909 8.657 0.978 1.00 23.31 C ATOM 2085 O GLU B 124 -4.810 9.010 0.217 1.00 41.22 O ATOM 2086 CB GLU B 124 -4.675 7.207 2.859 1.00 25.40 C ATOM 2087 CG GLU B 124 -4.817 5.830 3.478 1.00 63.30 C ATOM 2088 CD GLU B 124 -5.655 5.837 4.727 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -6.894 5.846 4.614 1.00 53.22 O ATOM 2090 OE2 GLU B 124 -5.095 5.825 5.840 1.00 71.30 O ATOM 0 H GLU B 124 -2.323 6.485 2.732 1.00 41.15 H new ATOM 0 HA GLU B 124 -4.336 6.569 0.814 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -4.189 7.866 3.578 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -5.670 7.613 2.675 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.264 5.153 2.750 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -3.827 5.438 3.712 1.00 63.30 H new ATOM 2097 N ASP B 125 -2.983 9.494 1.407 1.00 34.01 N ATOM 2098 CA ASP B 125 -2.920 10.860 0.899 1.00 63.41 C ATOM 2099 C ASP B 125 -2.389 10.885 -0.533 1.00 42.14 C ATOM 2100 O ASP B 125 -2.888 11.632 -1.393 1.00 72.41 O ATOM 2101 CB ASP B 125 -2.112 11.783 1.824 1.00 22.41 C ATOM 2102 CG ASP B 125 -2.134 13.240 1.372 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -3.233 13.766 1.047 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -1.084 13.899 1.394 1.00 14.52 O ATOM 0 H ASP B 125 -2.270 9.260 2.098 1.00 34.01 H new ATOM 0 HA ASP B 125 -3.937 11.251 0.883 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -2.511 11.715 2.836 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -1.080 11.436 1.865 1.00 22.41 H new ATOM 2109 N ILE B 126 -1.401 10.032 -0.779 1.00 25.13 N ATOM 2110 CA ILE B 126 -0.727 9.943 -2.071 1.00 73.13 C ATOM 2111 C ILE B 126 -1.637 9.307 -3.122 1.00 51.12 C ATOM 2112 O ILE B 126 -1.891 9.886 -4.188 1.00 44.15 O ATOM 2113 CB ILE B 126 0.616 9.179 -1.972 1.00 50.03 C ATOM 2114 CG1 ILE B 126 1.525 9.859 -0.939 1.00 75.01 C ATOM 2115 CG2 ILE B 126 1.300 9.138 -3.331 1.00 14.41 C ATOM 2116 CD1 ILE B 126 2.867 9.190 -0.749 1.00 50.54 C ATOM 0 H ILE B 126 -1.042 9.378 -0.083 1.00 25.13 H new ATOM 0 HA ILE B 126 -0.500 10.962 -2.385 1.00 73.13 H new ATOM 0 HB ILE B 126 0.420 8.155 -1.653 1.00 50.03 H new ATOM 0 HG12 ILE B 126 1.688 10.893 -1.242 1.00 75.01 H new ATOM 0 HG13 ILE B 126 1.008 9.886 0.020 1.00 75.01 H new ATOM 0 HG21 ILE B 126 2.243 8.598 -3.247 1.00 14.41 H new ATOM 0 HG22 ILE B 126 0.654 8.632 -4.048 1.00 14.41 H new ATOM 0 HG23 ILE B 126 1.493 10.155 -3.672 1.00 14.41 H new ATOM 0 HD11 ILE B 126 3.443 9.736 -0.002 1.00 50.54 H new ATOM 0 HD12 ILE B 126 2.718 8.164 -0.413 1.00 50.54 H new ATOM 0 HD13 ILE B 126 3.409 9.187 -1.695 1.00 50.54 H new ATOM 2128 N PHE B 127 -2.137 8.140 -2.818 1.00 35.15 N ATOM 2129 CA PHE B 127 -3.036 7.474 -3.703 1.00 22.52 C ATOM 2130 C PHE B 127 -4.381 7.454 -3.048 1.00 61.31 C ATOM 2131 O PHE B 127 -4.504 7.187 -1.861 1.00 64.35 O ATOM 2132 CB PHE B 127 -2.565 6.030 -4.012 1.00 0.12 C ATOM 2133 CG PHE B 127 -1.282 5.947 -4.789 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -1.291 6.015 -6.172 1.00 71.31 C ATOM 2135 CD2 PHE B 127 -0.070 5.788 -4.139 1.00 50.52 C ATOM 2136 CE1 PHE B 127 -0.114 5.931 -6.892 1.00 50.13 C ATOM 2137 CE2 PHE B 127 1.109 5.706 -4.853 1.00 53.10 C ATOM 2138 CZ PHE B 127 1.086 5.776 -6.231 1.00 22.32 C ATOM 0 H PHE B 127 -1.932 7.633 -1.957 1.00 35.15 H new ATOM 0 HA PHE B 127 -3.075 8.004 -4.655 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -2.441 5.493 -3.072 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -3.348 5.518 -4.571 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -2.229 6.135 -6.694 1.00 71.31 H new ATOM 0 HD2 PHE B 127 -0.046 5.727 -3.061 1.00 50.52 H new ATOM 0 HE1 PHE B 127 -0.134 5.987 -7.970 1.00 50.13 H new ATOM 0 HE2 PHE B 127 2.048 5.587 -4.333 1.00 53.10 H new ATOM 0 HZ PHE B 127 2.007 5.709 -6.791 1.00 22.32 H new ATOM 2148 N GLN B 128 -5.374 7.686 -3.814 1.00 72.24 N ATOM 2149 CA GLN B 128 -6.685 7.782 -3.306 1.00 2.15 C ATOM 2150 C GLN B 128 -7.449 6.628 -3.855 1.00 41.21 C ATOM 2151 O GLN B 128 -7.501 6.422 -5.058 1.00 54.12 O ATOM 2152 CB GLN B 128 -7.253 9.124 -3.753 1.00 43.12 C ATOM 2153 CG GLN B 128 -8.498 9.606 -3.043 1.00 54.21 C ATOM 2154 CD GLN B 128 -8.773 11.061 -3.390 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -7.842 11.822 -3.689 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -10.000 11.477 -3.335 1.00 41.41 N ATOM 0 H GLN B 128 -5.300 7.816 -4.823 1.00 72.24 H new ATOM 0 HA GLN B 128 -6.732 7.742 -2.218 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -6.477 9.880 -3.630 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -7.472 9.063 -4.819 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -9.350 8.989 -3.329 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -8.375 9.499 -1.965 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -10.747 10.829 -3.086 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -10.218 12.452 -3.541 1.00 41.41 H new ATOM 2165 N TRP B 129 -8.013 5.873 -3.004 1.00 13.44 N ATOM 2166 CA TRP B 129 -8.692 4.697 -3.418 1.00 61.35 C ATOM 2167 C TRP B 129 -10.145 4.729 -3.133 1.00 61.52 C ATOM 2168 O TRP B 129 -10.588 5.104 -2.040 1.00 24.43 O ATOM 2169 CB TRP B 129 -8.019 3.429 -2.895 1.00 14.01 C ATOM 2170 CG TRP B 129 -7.396 3.570 -1.545 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -8.026 3.660 -0.339 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -5.996 3.619 -1.275 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -7.096 3.766 0.661 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -5.841 3.740 0.109 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -4.856 3.569 -2.082 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -4.592 3.811 0.709 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -3.620 3.641 -1.483 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -3.497 3.759 -0.101 1.00 31.53 C ATOM 0 H TRP B 129 -8.023 6.043 -1.998 1.00 13.44 H new ATOM 0 HA TRP B 129 -8.610 4.671 -4.505 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -8.759 2.629 -2.858 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -7.251 3.121 -3.605 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -9.096 3.649 -0.194 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -7.304 3.851 1.656 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -4.944 3.476 -3.154 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -4.491 3.904 1.780 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -2.730 3.605 -2.094 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -2.512 3.810 0.339 1.00 31.53 H new ATOM 2189 N GLN B 130 -10.877 4.371 -4.136 1.00 35.50 N ATOM 2190 CA GLN B 130 -12.291 4.293 -4.097 1.00 11.44 C ATOM 2191 C GLN B 130 -12.696 2.841 -4.255 1.00 30.22 C ATOM 2192 O GLN B 130 -12.680 2.311 -5.369 1.00 33.31 O ATOM 2193 CB GLN B 130 -12.875 5.113 -5.245 1.00 44.22 C ATOM 2194 CG GLN B 130 -12.541 6.588 -5.184 1.00 32.13 C ATOM 2195 CD GLN B 130 -13.218 7.272 -4.035 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -12.691 7.347 -2.928 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -14.375 7.789 -4.289 1.00 53.21 N ATOM 0 H GLN B 130 -10.484 4.115 -5.042 1.00 35.50 H new ATOM 0 HA GLN B 130 -12.664 4.685 -3.151 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -12.510 4.708 -6.189 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -13.959 4.997 -5.246 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -11.462 6.711 -5.094 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -12.840 7.066 -6.117 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -14.778 7.704 -5.222 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -14.885 8.282 -3.556 1.00 53.21 H new ATOM 2206 N PRO B 131 -12.967 2.144 -3.141 1.00 63.05 N ATOM 2207 CA PRO B 131 -13.453 0.760 -3.175 1.00 13.14 C ATOM 2208 C PRO B 131 -14.946 0.736 -3.513 1.00 44.11 C ATOM 2209 O PRO B 131 -15.536 -0.314 -3.820 1.00 4.41 O ATOM 2210 CB PRO B 131 -13.221 0.254 -1.732 1.00 11.15 C ATOM 2211 CG PRO B 131 -12.448 1.336 -1.040 1.00 34.32 C ATOM 2212 CD PRO B 131 -12.767 2.608 -1.761 1.00 62.43 C ATOM 0 HA PRO B 131 -12.950 0.148 -3.924 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -14.168 0.065 -1.227 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -12.667 -0.685 -1.731 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -12.730 1.404 0.011 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -11.378 1.130 -1.071 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -13.659 3.090 -1.361 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -11.955 3.331 -1.689 1.00 62.43 H new