USER MOD reduce.3.24.130724 H: found=0, std=0, add=1205, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1208 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 LYS NZ :NH3+ 137:sc= -0.654 (180deg=-2.05!) USER MOD Set 1.2: A 148 SER OG : rot -170:sc= 0.00864 USER MOD Set 2.1: A 119 LYS NZ :NH3+ -115:sc= 0.829 (180deg=0.00877) USER MOD Set 2.2: A 121 TYR OH : rot 180:sc= 0.728 USER MOD Set 3.1: A 95 MET CE :methyl 163:sc= -0.195 (180deg=-0.716) USER MOD Set 3.2: A 105 SER OG : rot -36:sc= 0.148 USER MOD Set 4.1: A 82 THR OG1 : rot -120:sc= -3.65! USER MOD Set 4.2: A 108 ASN : amide:sc= 0.457 X(o=-3.2,f=-3.5) USER MOD Set 5.1: A 47 ASN : amide:sc= 0.815 K(o=-1.6,f=-2.5) USER MOD Set 5.2: A 157 ASN : amide:sc= -2.38! C(o=-1.6!,f=-4!) USER MOD Set 6.1: A 25 ASN :FLIP amide:sc= -1.82 F(o=-7!,f=-1.3) USER MOD Set 6.2: A 31 SER OG : rot 60:sc= 0.521 USER MOD Set 7.1: A 29 ASN :FLIP amide:sc= -0.0457 F(o=-2.6,f=0.15) USER MOD Set 7.2: A 153 GLN :FLIP amide:sc= 0.195 F(o=-2.6,f=0.15) USER MOD Set 8.1: A 11 LYS NZ :NH3+ 168:sc= -0.0172 (180deg=-0.112) USER MOD Set 8.2: A 13 ASN : amide:sc= -2.84! C(o=-2.6!,f=-4!) USER MOD Set 8.3: A 61 SER OG : rot -150:sc= 0.277 USER MOD Single : A 9 ASN :FLIP amide:sc= 0.652 F(o=-0.095,f=0.65) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -139:sc= -0.192 (180deg=-1.97) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -17! C(o=-17!,f=-21!) USER MOD Single : A 36 ASN : amide:sc= 0.235 K(o=0.23,f=-4.1!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=-0.081) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= 1.3 (180deg=1.24) USER MOD Single : A 56 MET CE :methyl 155:sc= -3.22! (180deg=-3.61!) USER MOD Single : A 59 TYR OH : rot -3:sc= -2.59! USER MOD Single : A 60 LYS NZ :NH3+ -108:sc= -0.847! (180deg=-3.71!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -158:sc= 1.14 (180deg=0.211) USER MOD Single : A 69 THR OG1 : rot 102:sc= 0.686 USER MOD Single : A 75 SER OG : rot 70:sc= -2.76! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -2.34! USER MOD Single : A 78 GLN : amide:sc= -0.406 K(o=-0.41,f=-8.6!) USER MOD Single : A 80 TYR OH : rot 63:sc= -0.171 USER MOD Single : A 84 GLN : amide:sc= -0.0483 K(o=-0.048,f=-2.1!) USER MOD Single : A 88 GLN : amide:sc= -0.926 K(o=-0.93,f=-5.2!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 96:sc= 0.618 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 111:sc= 1.26 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0.825 K(o=0.82,f=-6.6!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN :FLIP amide:sc= -1.12 F(o=-3.7!,f=-1.1) USER MOD Single : A 123 THR OG1 : rot -19:sc= 0.487 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.0982 X(o=-0.098,f=-0.0015) USER MOD Single : A 129 ASN : amide:sc= 0.606 K(o=0.61,f=-0.1) USER MOD Single : A 134 THR OG1 : rot -130:sc= 2.09 USER MOD Single : A 136 GLN :FLIP amide:sc= -6.48! C(o=-10!,f=-6.5!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 CYS SG : rot -145:sc= 1.51 USER MOD Single : A 150 THR OG1 : rot 166:sc= -0.224! USER MOD Single : A 158 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 9 25.414 -1.168 -6.041 1.00 4.20 N ATOM 2 CA ASN A 9 25.169 -2.627 -6.078 1.00 4.32 C ATOM 3 C ASN A 9 23.677 -2.908 -6.017 1.00 4.11 C ATOM 4 O ASN A 9 22.857 -1.989 -6.068 1.00 4.02 O ATOM 5 CB ASN A 9 25.862 -3.317 -4.897 1.00 4.41 C ATOM 6 CG ASN A 9 27.373 -3.284 -5.000 1.00 4.99 C ATOM 7 OD1 ASN A 9 28.027 -4.289 -4.436 1.00 5.29 O flip ATOM 8 ND2 ASN A 9 27.948 -2.361 -5.573 1.00 5.50 N flip ATOM 0 HA ASN A 9 25.576 -3.019 -7.010 1.00 4.32 H new ATOM 0 HB2 ASN A 9 25.555 -2.834 -3.969 1.00 4.41 H new ATOM 0 HB3 ASN A 9 25.529 -4.353 -4.842 1.00 4.41 H new ATOM 0 HD21 ASN A 9 27.407 -1.606 -5.994 1.00 5.50 H new ATOM 0 HD22 ASN A 9 28.966 -2.350 -5.627 1.00 5.50 H new ATOM 17 N VAL A 10 23.331 -4.182 -5.911 1.00 4.35 N ATOM 18 CA VAL A 10 21.953 -4.594 -5.701 1.00 4.25 C ATOM 19 C VAL A 10 21.713 -4.788 -4.214 1.00 3.43 C ATOM 20 O VAL A 10 22.536 -5.396 -3.530 1.00 3.52 O ATOM 21 CB VAL A 10 21.639 -5.910 -6.448 1.00 5.19 C ATOM 22 CG1 VAL A 10 20.204 -6.355 -6.203 1.00 5.29 C ATOM 23 CG2 VAL A 10 21.900 -5.753 -7.938 1.00 6.05 C ATOM 0 H VAL A 10 23.994 -4.955 -5.968 1.00 4.35 H new ATOM 0 HA VAL A 10 21.297 -3.817 -6.093 1.00 4.25 H new ATOM 0 HB VAL A 10 22.301 -6.682 -6.057 1.00 5.19 H new ATOM 0 HG11 VAL A 10 20.014 -7.283 -6.742 1.00 5.29 H new ATOM 0 HG12 VAL A 10 20.050 -6.517 -5.136 1.00 5.29 H new ATOM 0 HG13 VAL A 10 19.519 -5.584 -6.556 1.00 5.29 H new ATOM 0 HG21 VAL A 10 21.673 -6.689 -8.448 1.00 6.05 H new ATOM 0 HG22 VAL A 10 21.267 -4.960 -8.337 1.00 6.05 H new ATOM 0 HG23 VAL A 10 22.947 -5.496 -8.099 1.00 6.05 H new ATOM 33 N LYS A 11 20.604 -4.277 -3.706 1.00 3.01 N ATOM 34 CA LYS A 11 20.299 -4.438 -2.295 1.00 2.38 C ATOM 35 C LYS A 11 19.288 -5.561 -2.086 1.00 2.30 C ATOM 36 O LYS A 11 18.303 -5.660 -2.798 1.00 2.75 O ATOM 37 CB LYS A 11 19.793 -3.136 -1.679 1.00 2.57 C ATOM 38 CG LYS A 11 20.843 -2.042 -1.608 1.00 3.33 C ATOM 39 CD LYS A 11 20.355 -0.864 -0.784 1.00 4.00 C ATOM 40 CE LYS A 11 20.008 -1.291 0.633 1.00 4.63 C ATOM 41 NZ LYS A 11 19.542 -0.150 1.461 1.00 5.11 N ATOM 0 H LYS A 11 19.909 -3.755 -4.240 1.00 3.01 H new ATOM 0 HA LYS A 11 21.225 -4.707 -1.786 1.00 2.38 H new ATOM 0 HB2 LYS A 11 18.945 -2.775 -2.261 1.00 2.57 H new ATOM 0 HB3 LYS A 11 19.426 -3.340 -0.673 1.00 2.57 H new ATOM 0 HG2 LYS A 11 21.758 -2.441 -1.170 1.00 3.33 H new ATOM 0 HG3 LYS A 11 21.091 -1.707 -2.615 1.00 3.33 H new ATOM 0 HD2 LYS A 11 21.125 -0.093 -0.756 1.00 4.00 H new ATOM 0 HD3 LYS A 11 19.479 -0.423 -1.259 1.00 4.00 H new ATOM 0 HE2 LYS A 11 19.232 -2.056 0.601 1.00 4.63 H new ATOM 0 HE3 LYS A 11 20.883 -1.744 1.100 1.00 4.63 H new ATOM 0 HZ1 LYS A 11 19.127 -0.509 2.344 1.00 5.11 H new ATOM 0 HZ2 LYS A 11 20.347 0.469 1.683 1.00 5.11 H new ATOM 0 HZ3 LYS A 11 18.825 0.390 0.936 1.00 5.11 H new ATOM 55 N TYR A 12 19.585 -6.452 -1.157 1.00 2.26 N ATOM 56 CA TYR A 12 18.724 -7.597 -0.865 1.00 2.39 C ATOM 57 C TYR A 12 17.985 -7.404 0.456 1.00 1.68 C ATOM 58 O TYR A 12 18.627 -7.441 1.499 1.00 2.15 O ATOM 59 CB TYR A 12 19.569 -8.873 -0.778 1.00 3.48 C ATOM 60 CG TYR A 12 20.713 -8.920 -1.770 1.00 4.09 C ATOM 61 CD1 TYR A 12 20.498 -9.331 -3.081 1.00 4.67 C ATOM 62 CD2 TYR A 12 22.002 -8.568 -1.399 1.00 4.36 C ATOM 63 CE1 TYR A 12 21.536 -9.390 -3.990 1.00 5.39 C ATOM 64 CE2 TYR A 12 23.046 -8.623 -2.303 1.00 5.04 C ATOM 65 CZ TYR A 12 22.819 -8.978 -3.584 1.00 5.50 C ATOM 66 OH TYR A 12 23.845 -9.099 -4.495 1.00 6.30 O ATOM 0 H TYR A 12 20.426 -6.408 -0.582 1.00 2.26 H new ATOM 0 HA TYR A 12 17.994 -7.683 -1.670 1.00 2.39 H new ATOM 0 HB2 TYR A 12 19.972 -8.962 0.231 1.00 3.48 H new ATOM 0 HB3 TYR A 12 18.924 -9.736 -0.941 1.00 3.48 H new ATOM 0 HD1 TYR A 12 19.502 -9.609 -3.394 1.00 4.67 H new ATOM 0 HD2 TYR A 12 22.193 -8.245 -0.386 1.00 4.36 H new ATOM 0 HE1 TYR A 12 21.366 -9.746 -4.995 1.00 5.39 H new ATOM 0 HE2 TYR A 12 24.048 -8.381 -1.982 1.00 5.04 H new ATOM 0 HH TYR A 12 24.679 -8.779 -4.092 1.00 6.30 H new ATOM 76 N ASN A 13 16.662 -7.176 0.468 1.00 1.23 N ATOM 77 CA ASN A 13 16.013 -7.111 1.745 1.00 1.00 C ATOM 78 C ASN A 13 15.059 -8.272 1.978 1.00 0.86 C ATOM 79 O ASN A 13 13.938 -8.266 1.491 1.00 1.29 O ATOM 80 CB ASN A 13 15.254 -5.787 1.863 1.00 1.76 C ATOM 81 CG ASN A 13 16.130 -4.569 2.094 1.00 2.67 C ATOM 82 OD1 ASN A 13 17.298 -4.529 1.709 1.00 3.27 O ATOM 83 ND2 ASN A 13 15.545 -3.541 2.699 1.00 3.42 N ATOM 0 H ASN A 13 16.068 -7.043 -0.350 1.00 1.23 H new ATOM 0 HA ASN A 13 16.788 -7.176 2.508 1.00 1.00 H new ATOM 0 HB2 ASN A 13 14.676 -5.634 0.952 1.00 1.76 H new ATOM 0 HB3 ASN A 13 14.541 -5.865 2.684 1.00 1.76 H new ATOM 0 HD21 ASN A 13 16.067 -2.679 2.859 1.00 3.42 H new ATOM 0 HD22 ASN A 13 14.574 -3.614 3.004 1.00 3.42 H new ATOM 90 N PHE A 14 15.490 -9.243 2.764 1.00 0.97 N ATOM 91 CA PHE A 14 14.594 -10.201 3.393 1.00 1.06 C ATOM 92 C PHE A 14 14.084 -9.666 4.728 1.00 0.93 C ATOM 93 O PHE A 14 14.893 -9.304 5.585 1.00 1.27 O ATOM 94 CB PHE A 14 15.304 -11.543 3.592 1.00 1.64 C ATOM 95 CG PHE A 14 14.385 -12.644 4.046 1.00 2.26 C ATOM 96 CD1 PHE A 14 13.543 -13.274 3.142 1.00 3.13 C ATOM 97 CD2 PHE A 14 14.363 -13.049 5.371 1.00 2.47 C ATOM 98 CE1 PHE A 14 12.695 -14.284 3.552 1.00 4.16 C ATOM 99 CE2 PHE A 14 13.516 -14.058 5.787 1.00 3.36 C ATOM 100 CZ PHE A 14 12.681 -14.677 4.877 1.00 4.21 C ATOM 0 H PHE A 14 16.475 -9.391 2.986 1.00 0.97 H new ATOM 0 HA PHE A 14 13.738 -10.353 2.736 1.00 1.06 H new ATOM 0 HB2 PHE A 14 15.777 -11.838 2.655 1.00 1.64 H new ATOM 0 HB3 PHE A 14 16.100 -11.419 4.326 1.00 1.64 H new ATOM 0 HD1 PHE A 14 13.550 -12.971 2.105 1.00 3.13 H new ATOM 0 HD2 PHE A 14 15.015 -12.571 6.086 1.00 2.47 H new ATOM 0 HE1 PHE A 14 12.044 -14.766 2.838 1.00 4.16 H new ATOM 0 HE2 PHE A 14 13.507 -14.363 6.823 1.00 3.36 H new ATOM 0 HZ PHE A 14 12.019 -15.466 5.200 1.00 4.21 H new ATOM 110 N MET A 15 12.778 -9.561 4.918 1.00 0.73 N ATOM 111 CA MET A 15 12.253 -9.429 6.262 1.00 0.74 C ATOM 112 C MET A 15 11.495 -10.690 6.664 1.00 0.70 C ATOM 113 O MET A 15 11.927 -11.453 7.522 1.00 0.79 O ATOM 114 CB MET A 15 11.370 -8.204 6.385 1.00 0.84 C ATOM 115 CG MET A 15 11.029 -7.845 7.824 1.00 1.48 C ATOM 116 SD MET A 15 12.473 -7.781 8.899 1.00 2.32 S ATOM 117 CE MET A 15 11.721 -7.408 10.482 1.00 2.91 C ATOM 0 H MET A 15 12.078 -9.565 4.176 1.00 0.73 H new ATOM 0 HA MET A 15 13.093 -9.301 6.945 1.00 0.74 H new ATOM 0 HB2 MET A 15 11.870 -7.357 5.916 1.00 0.84 H new ATOM 0 HB3 MET A 15 10.446 -8.375 5.832 1.00 0.84 H new ATOM 0 HG2 MET A 15 10.528 -6.877 7.841 1.00 1.48 H new ATOM 0 HG3 MET A 15 10.323 -8.577 8.217 1.00 1.48 H new ATOM 0 HE1 MET A 15 12.496 -7.338 11.245 1.00 2.91 H new ATOM 0 HE2 MET A 15 11.189 -6.459 10.417 1.00 2.91 H new ATOM 0 HE3 MET A 15 11.020 -8.200 10.747 1.00 2.91 H new ATOM 127 N ARG A 16 10.353 -10.880 6.013 1.00 0.61 N ATOM 128 CA ARG A 16 9.415 -11.944 6.324 1.00 0.61 C ATOM 129 C ARG A 16 8.373 -12.031 5.217 1.00 0.56 C ATOM 130 O ARG A 16 8.060 -11.023 4.573 1.00 0.52 O ATOM 131 CB ARG A 16 8.692 -11.631 7.633 1.00 0.63 C ATOM 132 CG ARG A 16 7.813 -10.396 7.521 1.00 0.72 C ATOM 133 CD ARG A 16 8.211 -9.329 8.517 1.00 1.06 C ATOM 134 NE ARG A 16 7.661 -9.605 9.842 1.00 1.64 N ATOM 135 CZ ARG A 16 7.680 -8.755 10.870 1.00 2.09 C ATOM 136 NH1 ARG A 16 8.202 -7.541 10.734 1.00 2.43 N ATOM 137 NH2 ARG A 16 7.170 -9.129 12.034 1.00 2.73 N ATOM 0 H ARG A 16 10.051 -10.286 5.241 1.00 0.61 H new ATOM 0 HA ARG A 16 9.961 -12.883 6.414 1.00 0.61 H new ATOM 0 HB2 ARG A 16 8.080 -12.486 7.922 1.00 0.63 H new ATOM 0 HB3 ARG A 16 9.426 -11.482 8.425 1.00 0.63 H new ATOM 0 HG2 ARG A 16 7.880 -9.993 6.511 1.00 0.72 H new ATOM 0 HG3 ARG A 16 6.772 -10.675 7.684 1.00 0.72 H new ATOM 0 HD2 ARG A 16 9.298 -9.272 8.577 1.00 1.06 H new ATOM 0 HD3 ARG A 16 7.860 -8.357 8.171 1.00 1.06 H new ATOM 0 HE ARG A 16 7.230 -10.517 9.993 1.00 1.64 H new ATOM 0 HH11 ARG A 16 8.593 -7.251 9.838 1.00 2.43 H new ATOM 0 HH12 ARG A 16 8.212 -6.898 11.526 1.00 2.43 H new ATOM 0 HH21 ARG A 16 6.767 -10.060 12.139 1.00 2.73 H new ATOM 0 HH22 ARG A 16 7.180 -8.486 12.826 1.00 2.73 H new ATOM 151 N ILE A 17 7.850 -13.215 4.982 1.00 0.62 N ATOM 152 CA ILE A 17 6.695 -13.365 4.110 1.00 0.61 C ATOM 153 C ILE A 17 5.431 -13.047 4.906 1.00 0.57 C ATOM 154 O ILE A 17 5.052 -13.805 5.799 1.00 0.64 O ATOM 155 CB ILE A 17 6.599 -14.794 3.531 1.00 0.73 C ATOM 156 CG1 ILE A 17 7.884 -15.160 2.776 1.00 1.68 C ATOM 157 CG2 ILE A 17 5.388 -14.920 2.614 1.00 1.41 C ATOM 158 CD1 ILE A 17 8.187 -14.250 1.601 1.00 2.26 C ATOM 0 H ILE A 17 8.201 -14.087 5.378 1.00 0.62 H new ATOM 0 HA ILE A 17 6.803 -12.676 3.272 1.00 0.61 H new ATOM 0 HB ILE A 17 6.478 -15.491 4.360 1.00 0.73 H new ATOM 0 HG12 ILE A 17 8.723 -15.131 3.471 1.00 1.68 H new ATOM 0 HG13 ILE A 17 7.803 -16.186 2.417 1.00 1.68 H new ATOM 0 HG21 ILE A 17 5.337 -15.933 2.216 1.00 1.41 H new ATOM 0 HG22 ILE A 17 4.480 -14.706 3.178 1.00 1.41 H new ATOM 0 HG23 ILE A 17 5.479 -14.211 1.791 1.00 1.41 H new ATOM 0 HD11 ILE A 17 9.110 -14.573 1.119 1.00 2.26 H new ATOM 0 HD12 ILE A 17 7.367 -14.297 0.884 1.00 2.26 H new ATOM 0 HD13 ILE A 17 8.302 -13.225 1.955 1.00 2.26 H new ATOM 170 N ILE A 18 4.787 -11.928 4.598 1.00 0.49 N ATOM 171 CA ILE A 18 3.612 -11.513 5.353 1.00 0.48 C ATOM 172 C ILE A 18 2.327 -12.097 4.753 1.00 0.48 C ATOM 173 O ILE A 18 2.270 -13.283 4.425 1.00 0.52 O ATOM 174 CB ILE A 18 3.500 -9.969 5.457 1.00 0.44 C ATOM 175 CG1 ILE A 18 4.879 -9.343 5.663 1.00 0.44 C ATOM 176 CG2 ILE A 18 2.594 -9.577 6.623 1.00 0.50 C ATOM 177 CD1 ILE A 18 4.830 -7.847 5.884 1.00 0.94 C ATOM 0 H ILE A 18 5.054 -11.299 3.841 1.00 0.49 H new ATOM 0 HA ILE A 18 3.736 -11.908 6.362 1.00 0.48 H new ATOM 0 HB ILE A 18 3.072 -9.600 4.525 1.00 0.44 H new ATOM 0 HG12 ILE A 18 5.360 -9.814 6.520 1.00 0.44 H new ATOM 0 HG13 ILE A 18 5.500 -9.555 4.793 1.00 0.44 H new ATOM 0 HG21 ILE A 18 2.526 -8.491 6.682 1.00 0.50 H new ATOM 0 HG22 ILE A 18 1.599 -9.995 6.467 1.00 0.50 H new ATOM 0 HG23 ILE A 18 3.009 -9.966 7.553 1.00 0.50 H new ATOM 0 HD11 ILE A 18 5.842 -7.466 6.023 1.00 0.94 H new ATOM 0 HD12 ILE A 18 4.377 -7.366 5.017 1.00 0.94 H new ATOM 0 HD13 ILE A 18 4.235 -7.630 6.771 1.00 0.94 H new ATOM 189 N LYS A 19 1.309 -11.263 4.612 1.00 0.45 N ATOM 190 CA LYS A 19 -0.024 -11.724 4.240 1.00 0.46 C ATOM 191 C LYS A 19 -0.396 -11.279 2.834 1.00 0.42 C ATOM 192 O LYS A 19 0.204 -10.356 2.290 1.00 0.49 O ATOM 193 CB LYS A 19 -1.064 -11.268 5.274 1.00 0.54 C ATOM 194 CG LYS A 19 -0.881 -9.844 5.777 1.00 1.13 C ATOM 195 CD LYS A 19 -1.704 -8.839 4.989 1.00 1.85 C ATOM 196 CE LYS A 19 -1.607 -7.450 5.605 1.00 2.57 C ATOM 197 NZ LYS A 19 -2.018 -7.447 7.037 1.00 2.68 N ATOM 0 H LYS A 19 1.379 -10.255 4.750 1.00 0.45 H new ATOM 0 HA LYS A 19 -0.014 -12.814 4.235 1.00 0.46 H new ATOM 0 HB2 LYS A 19 -2.057 -11.358 4.834 1.00 0.54 H new ATOM 0 HB3 LYS A 19 -1.030 -11.947 6.126 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -1.163 -9.795 6.829 1.00 1.13 H new ATOM 0 HG3 LYS A 19 0.173 -9.573 5.716 1.00 1.13 H new ATOM 0 HD2 LYS A 19 -1.355 -8.808 3.957 1.00 1.85 H new ATOM 0 HD3 LYS A 19 -2.746 -9.157 4.964 1.00 1.85 H new ATOM 0 HE2 LYS A 19 -0.583 -7.086 5.521 1.00 2.57 H new ATOM 0 HE3 LYS A 19 -2.238 -6.760 5.045 1.00 2.57 H new ATOM 0 HZ1 LYS A 19 -2.588 -6.600 7.233 1.00 2.68 H new ATOM 0 HZ2 LYS A 19 -2.582 -8.298 7.238 1.00 2.68 H new ATOM 0 HZ3 LYS A 19 -1.171 -7.442 7.641 1.00 2.68 H new ATOM 211 N TYR A 20 -1.391 -11.938 2.263 1.00 0.37 N ATOM 212 CA TYR A 20 -1.728 -11.769 0.853 1.00 0.41 C ATOM 213 C TYR A 20 -3.212 -12.006 0.596 1.00 0.31 C ATOM 214 O TYR A 20 -3.901 -12.618 1.416 1.00 0.33 O ATOM 215 CB TYR A 20 -0.897 -12.751 0.013 1.00 0.67 C ATOM 216 CG TYR A 20 -1.126 -14.211 0.366 1.00 1.13 C ATOM 217 CD1 TYR A 20 -2.177 -14.926 -0.197 1.00 1.34 C ATOM 218 CD2 TYR A 20 -0.297 -14.868 1.268 1.00 1.45 C ATOM 219 CE1 TYR A 20 -2.396 -16.249 0.127 1.00 1.82 C ATOM 220 CE2 TYR A 20 -0.510 -16.194 1.596 1.00 1.93 C ATOM 221 CZ TYR A 20 -1.561 -16.878 1.023 1.00 2.10 C ATOM 222 OH TYR A 20 -1.778 -18.199 1.346 1.00 2.59 O ATOM 0 H TYR A 20 -1.987 -12.602 2.758 1.00 0.37 H new ATOM 0 HA TYR A 20 -1.500 -10.741 0.570 1.00 0.41 H new ATOM 0 HB2 TYR A 20 -1.132 -12.601 -1.041 1.00 0.67 H new ATOM 0 HB3 TYR A 20 0.160 -12.518 0.140 1.00 0.67 H new ATOM 0 HD1 TYR A 20 -2.834 -14.437 -0.901 1.00 1.34 H new ATOM 0 HD2 TYR A 20 0.526 -14.334 1.720 1.00 1.45 H new ATOM 0 HE1 TYR A 20 -3.218 -16.788 -0.320 1.00 1.82 H new ATOM 0 HE2 TYR A 20 0.143 -16.691 2.297 1.00 1.93 H new ATOM 0 HH TYR A 20 -1.101 -18.494 1.990 1.00 2.59 H new ATOM 232 N GLU A 21 -3.684 -11.507 -0.548 1.00 0.33 N ATOM 233 CA GLU A 21 -5.034 -11.777 -1.037 1.00 0.32 C ATOM 234 C GLU A 21 -6.097 -11.329 -0.040 1.00 0.28 C ATOM 235 O GLU A 21 -7.109 -11.995 0.180 1.00 0.30 O ATOM 236 CB GLU A 21 -5.166 -13.266 -1.370 1.00 0.35 C ATOM 237 CG GLU A 21 -6.450 -13.643 -2.088 1.00 0.98 C ATOM 238 CD GLU A 21 -6.369 -15.005 -2.738 1.00 1.16 C ATOM 239 OE1 GLU A 21 -6.035 -15.975 -2.031 1.00 1.73 O ATOM 240 OE2 GLU A 21 -6.653 -15.116 -3.951 1.00 1.53 O ATOM 0 H GLU A 21 -3.138 -10.903 -1.162 1.00 0.33 H new ATOM 0 HA GLU A 21 -5.199 -11.196 -1.944 1.00 0.32 H new ATOM 0 HB2 GLU A 21 -4.319 -13.563 -1.989 1.00 0.35 H new ATOM 0 HB3 GLU A 21 -5.101 -13.839 -0.445 1.00 0.35 H new ATOM 0 HG2 GLU A 21 -7.277 -13.631 -1.378 1.00 0.98 H new ATOM 0 HG3 GLU A 21 -6.672 -12.894 -2.848 1.00 0.98 H new ATOM 247 N PHE A 22 -5.849 -10.198 0.571 1.00 0.26 N ATOM 248 CA PHE A 22 -6.823 -9.582 1.425 1.00 0.26 C ATOM 249 C PHE A 22 -7.420 -8.421 0.679 1.00 0.24 C ATOM 250 O PHE A 22 -6.789 -7.868 -0.222 1.00 0.27 O ATOM 251 CB PHE A 22 -6.199 -9.115 2.741 1.00 0.32 C ATOM 252 CG PHE A 22 -5.959 -10.228 3.722 1.00 1.08 C ATOM 253 CD1 PHE A 22 -7.003 -10.766 4.458 1.00 1.98 C ATOM 254 CD2 PHE A 22 -4.684 -10.743 3.901 1.00 1.15 C ATOM 255 CE1 PHE A 22 -6.778 -11.793 5.353 1.00 2.89 C ATOM 256 CE2 PHE A 22 -4.456 -11.771 4.794 1.00 2.05 C ATOM 257 CZ PHE A 22 -5.526 -12.274 5.552 1.00 2.92 C ATOM 0 H PHE A 22 -4.972 -9.684 0.489 1.00 0.26 H new ATOM 0 HA PHE A 22 -7.595 -10.307 1.684 1.00 0.26 H new ATOM 0 HB2 PHE A 22 -5.252 -8.619 2.528 1.00 0.32 H new ATOM 0 HB3 PHE A 22 -6.852 -8.372 3.200 1.00 0.32 H new ATOM 0 HD1 PHE A 22 -8.003 -10.378 4.330 1.00 1.98 H new ATOM 0 HD2 PHE A 22 -3.859 -10.335 3.335 1.00 1.15 H new ATOM 0 HE1 PHE A 22 -7.607 -12.217 5.900 1.00 2.89 H new ATOM 0 HE2 PHE A 22 -3.465 -12.184 4.908 1.00 2.05 H new ATOM 0 HZ PHE A 22 -5.352 -13.042 6.291 1.00 2.92 H new ATOM 267 N ILE A 23 -8.599 -8.017 1.066 1.00 0.22 N ATOM 268 CA ILE A 23 -9.245 -6.923 0.399 1.00 0.21 C ATOM 269 C ILE A 23 -8.982 -5.696 1.200 1.00 0.19 C ATOM 270 O ILE A 23 -9.172 -5.671 2.408 1.00 0.22 O ATOM 271 CB ILE A 23 -10.769 -7.087 0.280 1.00 0.28 C ATOM 272 CG1 ILE A 23 -11.151 -8.292 -0.601 1.00 0.36 C ATOM 273 CG2 ILE A 23 -11.382 -5.819 -0.299 1.00 0.36 C ATOM 274 CD1 ILE A 23 -10.786 -9.655 -0.047 1.00 0.84 C ATOM 0 H ILE A 23 -9.129 -8.427 1.835 1.00 0.22 H new ATOM 0 HA ILE A 23 -8.846 -6.874 -0.614 1.00 0.21 H new ATOM 0 HB ILE A 23 -11.159 -7.267 1.282 1.00 0.28 H new ATOM 0 HG12 ILE A 23 -12.227 -8.266 -0.772 1.00 0.36 H new ATOM 0 HG13 ILE A 23 -10.671 -8.175 -1.572 1.00 0.36 H new ATOM 0 HG21 ILE A 23 -12.462 -5.942 -0.381 1.00 0.36 H new ATOM 0 HG22 ILE A 23 -11.161 -4.976 0.356 1.00 0.36 H new ATOM 0 HG23 ILE A 23 -10.962 -5.630 -1.287 1.00 0.36 H new ATOM 0 HD11 ILE A 23 -11.101 -10.429 -0.747 1.00 0.84 H new ATOM 0 HD12 ILE A 23 -9.707 -9.712 0.096 1.00 0.84 H new ATOM 0 HD13 ILE A 23 -11.288 -9.805 0.909 1.00 0.84 H new ATOM 286 N LEU A 24 -8.553 -4.682 0.532 1.00 0.18 N ATOM 287 CA LEU A 24 -8.124 -3.508 1.227 1.00 0.19 C ATOM 288 C LEU A 24 -9.209 -2.461 1.253 1.00 0.20 C ATOM 289 O LEU A 24 -9.732 -2.053 0.229 1.00 0.23 O ATOM 290 CB LEU A 24 -6.860 -2.964 0.586 1.00 0.23 C ATOM 291 CG LEU A 24 -5.718 -2.773 1.565 1.00 0.53 C ATOM 292 CD1 LEU A 24 -5.340 -4.095 2.218 1.00 1.32 C ATOM 293 CD2 LEU A 24 -4.512 -2.164 0.873 1.00 1.41 C ATOM 0 H LEU A 24 -8.488 -4.636 -0.485 1.00 0.18 H new ATOM 0 HA LEU A 24 -7.907 -3.777 2.261 1.00 0.19 H new ATOM 0 HB2 LEU A 24 -6.541 -3.644 -0.204 1.00 0.23 H new ATOM 0 HB3 LEU A 24 -7.085 -2.009 0.112 1.00 0.23 H new ATOM 0 HG LEU A 24 -6.053 -2.087 2.343 1.00 0.53 H new ATOM 0 HD11 LEU A 24 -4.519 -3.934 2.916 1.00 1.32 H new ATOM 0 HD12 LEU A 24 -6.200 -4.495 2.755 1.00 1.32 H new ATOM 0 HD13 LEU A 24 -5.030 -4.804 1.451 1.00 1.32 H new ATOM 0 HD21 LEU A 24 -3.705 -2.036 1.594 1.00 1.41 H new ATOM 0 HD22 LEU A 24 -4.181 -2.824 0.071 1.00 1.41 H new ATOM 0 HD23 LEU A 24 -4.783 -1.194 0.456 1.00 1.41 H new ATOM 305 N ASN A 25 -9.559 -2.092 2.468 1.00 0.19 N ATOM 306 CA ASN A 25 -10.500 -1.006 2.761 1.00 0.19 C ATOM 307 C ASN A 25 -9.866 -0.144 3.786 1.00 0.18 C ATOM 308 O ASN A 25 -9.106 -0.628 4.593 1.00 0.22 O ATOM 309 CB ASN A 25 -11.842 -1.504 3.329 1.00 0.29 C ATOM 310 CG ASN A 25 -12.679 -2.326 2.368 1.00 0.92 C ATOM 311 OD1 ASN A 25 -12.075 -3.318 1.742 1.00 1.74 O flip ATOM 312 ND2 ASN A 25 -13.883 -2.103 2.231 1.00 1.72 N flip ATOM 0 H ASN A 25 -9.194 -2.544 3.306 1.00 0.19 H new ATOM 0 HA ASN A 25 -10.715 -0.484 1.829 1.00 0.19 H new ATOM 0 HB2 ASN A 25 -11.643 -2.103 4.218 1.00 0.29 H new ATOM 0 HB3 ASN A 25 -12.426 -0.641 3.650 1.00 0.29 H new ATOM 0 HD21 ASN A 25 -14.318 -1.327 2.730 1.00 1.72 H new ATOM 0 HD22 ASN A 25 -14.445 -2.694 1.618 1.00 1.72 H new ATOM 319 N ASP A 26 -10.175 1.116 3.773 1.00 0.16 N ATOM 320 CA ASP A 26 -9.665 1.987 4.780 1.00 0.17 C ATOM 321 C ASP A 26 -10.639 1.936 5.946 1.00 0.18 C ATOM 322 O ASP A 26 -11.592 1.166 5.913 1.00 0.20 O ATOM 323 CB ASP A 26 -9.594 3.448 4.257 1.00 0.19 C ATOM 324 CG ASP A 26 -9.854 3.673 2.778 1.00 0.40 C ATOM 325 OD1 ASP A 26 -9.934 2.720 1.979 1.00 0.66 O ATOM 326 OD2 ASP A 26 -9.988 4.851 2.414 1.00 1.04 O ATOM 0 H ASP A 26 -10.775 1.561 3.078 1.00 0.16 H new ATOM 0 HA ASP A 26 -8.662 1.675 5.071 1.00 0.17 H new ATOM 0 HB2 ASP A 26 -10.313 4.043 4.820 1.00 0.19 H new ATOM 0 HB3 ASP A 26 -8.604 3.841 4.489 1.00 0.19 H new ATOM 331 N ALA A 27 -10.377 2.686 6.996 1.00 0.21 N ATOM 332 CA ALA A 27 -11.268 2.731 8.144 1.00 0.25 C ATOM 333 C ALA A 27 -12.550 3.415 7.746 1.00 0.24 C ATOM 334 O ALA A 27 -13.569 3.319 8.431 1.00 0.28 O ATOM 335 CB ALA A 27 -10.628 3.446 9.324 1.00 0.32 C ATOM 0 H ALA A 27 -9.550 3.277 7.081 1.00 0.21 H new ATOM 0 HA ALA A 27 -11.477 1.710 8.462 1.00 0.25 H new ATOM 0 HB1 ALA A 27 -11.324 3.459 10.163 1.00 0.32 H new ATOM 0 HB2 ALA A 27 -9.718 2.923 9.616 1.00 0.32 H new ATOM 0 HB3 ALA A 27 -10.383 4.469 9.040 1.00 0.32 H new ATOM 341 N LEU A 28 -12.485 4.122 6.625 1.00 0.21 N ATOM 342 CA LEU A 28 -13.694 4.704 6.036 1.00 0.24 C ATOM 343 C LEU A 28 -14.482 3.623 5.331 1.00 0.23 C ATOM 344 O LEU A 28 -15.646 3.780 4.961 1.00 0.29 O ATOM 345 CB LEU A 28 -13.316 5.829 5.082 1.00 0.25 C ATOM 346 CG LEU A 28 -12.643 7.005 5.769 1.00 0.31 C ATOM 347 CD1 LEU A 28 -13.218 8.306 5.267 1.00 0.48 C ATOM 348 CD2 LEU A 28 -12.786 6.960 7.287 1.00 0.48 C ATOM 0 H LEU A 28 -11.625 4.307 6.109 1.00 0.21 H new ATOM 0 HA LEU A 28 -14.321 5.128 6.820 1.00 0.24 H new ATOM 0 HB2 LEU A 28 -12.649 5.436 4.315 1.00 0.25 H new ATOM 0 HB3 LEU A 28 -14.214 6.181 4.573 1.00 0.25 H new ATOM 0 HG LEU A 28 -11.583 6.937 5.526 1.00 0.31 H new ATOM 0 HD11 LEU A 28 -12.726 9.139 5.769 1.00 0.48 H new ATOM 0 HD12 LEU A 28 -13.057 8.384 4.192 1.00 0.48 H new ATOM 0 HD13 LEU A 28 -14.287 8.337 5.477 1.00 0.48 H new ATOM 0 HD21 LEU A 28 -12.286 7.824 7.725 1.00 0.48 H new ATOM 0 HD22 LEU A 28 -13.843 6.978 7.554 1.00 0.48 H new ATOM 0 HD23 LEU A 28 -12.331 6.046 7.668 1.00 0.48 H new ATOM 360 N ASN A 29 -13.775 2.526 5.180 1.00 0.20 N ATOM 361 CA ASN A 29 -14.241 1.290 4.585 1.00 0.23 C ATOM 362 C ASN A 29 -14.695 1.526 3.172 1.00 0.24 C ATOM 363 O ASN A 29 -15.889 1.580 2.885 1.00 0.28 O ATOM 364 CB ASN A 29 -15.391 0.652 5.357 1.00 0.29 C ATOM 365 CG ASN A 29 -15.354 0.898 6.857 1.00 0.60 C ATOM 366 OD1 ASN A 29 -14.551 0.127 7.573 1.00 1.32 O flip ATOM 367 ND2 ASN A 29 -16.042 1.784 7.369 1.00 1.30 N flip ATOM 0 H ASN A 29 -12.804 2.467 5.486 1.00 0.20 H new ATOM 0 HA ASN A 29 -13.392 0.606 4.612 1.00 0.23 H new ATOM 0 HB2 ASN A 29 -16.333 1.033 4.962 1.00 0.29 H new ATOM 0 HB3 ASN A 29 -15.381 -0.423 5.177 1.00 0.29 H new ATOM 0 HD21 ASN A 29 -16.650 2.359 6.786 1.00 1.30 H new ATOM 0 HD22 ASN A 29 -16.003 1.942 8.376 1.00 1.30 H new ATOM 374 N GLN A 30 -13.741 1.677 2.291 1.00 0.23 N ATOM 375 CA GLN A 30 -14.011 1.658 0.895 1.00 0.24 C ATOM 376 C GLN A 30 -12.983 0.743 0.296 1.00 0.22 C ATOM 377 O GLN A 30 -11.795 1.041 0.323 1.00 0.28 O ATOM 378 CB GLN A 30 -13.909 3.073 0.288 1.00 0.36 C ATOM 379 CG GLN A 30 -14.204 4.194 1.278 1.00 0.98 C ATOM 380 CD GLN A 30 -12.989 4.550 2.116 1.00 1.41 C ATOM 381 OE1 GLN A 30 -12.684 3.876 3.086 1.00 2.21 O ATOM 382 NE2 GLN A 30 -12.337 5.658 1.823 1.00 1.84 N ATOM 0 H GLN A 30 -12.759 1.816 2.530 1.00 0.23 H new ATOM 0 HA GLN A 30 -15.024 1.313 0.691 1.00 0.24 H new ATOM 0 HB2 GLN A 30 -12.906 3.213 -0.116 1.00 0.36 H new ATOM 0 HB3 GLN A 30 -14.603 3.149 -0.549 1.00 0.36 H new ATOM 0 HG2 GLN A 30 -14.541 5.077 0.735 1.00 0.98 H new ATOM 0 HG3 GLN A 30 -15.021 3.892 1.934 1.00 0.98 H new ATOM 0 HE21 GLN A 30 -12.607 6.208 1.008 1.00 1.84 H new ATOM 0 HE22 GLN A 30 -11.563 5.965 2.412 1.00 1.84 H new ATOM 391 N SER A 31 -13.423 -0.382 -0.214 1.00 0.23 N ATOM 392 CA SER A 31 -12.502 -1.313 -0.789 1.00 0.26 C ATOM 393 C SER A 31 -11.892 -0.697 -2.027 1.00 0.21 C ATOM 394 O SER A 31 -12.588 -0.336 -2.976 1.00 0.21 O ATOM 395 CB SER A 31 -13.246 -2.594 -1.103 1.00 0.36 C ATOM 396 OG SER A 31 -14.636 -2.362 -1.035 1.00 1.23 O ATOM 0 H SER A 31 -14.402 -0.667 -0.240 1.00 0.23 H new ATOM 0 HA SER A 31 -11.692 -1.548 -0.098 1.00 0.26 H new ATOM 0 HB2 SER A 31 -12.975 -2.950 -2.097 1.00 0.36 H new ATOM 0 HB3 SER A 31 -12.962 -3.374 -0.397 1.00 0.36 H new ATOM 0 HG SER A 31 -14.886 -1.676 -1.689 1.00 1.23 H new ATOM 402 N ILE A 32 -10.587 -0.592 -2.006 1.00 0.21 N ATOM 403 CA ILE A 32 -9.872 0.158 -2.994 1.00 0.20 C ATOM 404 C ILE A 32 -9.753 -0.632 -4.310 1.00 0.21 C ATOM 405 O ILE A 32 -9.000 -1.596 -4.412 1.00 0.24 O ATOM 406 CB ILE A 32 -8.484 0.588 -2.455 1.00 0.24 C ATOM 407 CG1 ILE A 32 -7.506 -0.580 -2.331 1.00 1.11 C ATOM 408 CG2 ILE A 32 -8.662 1.222 -1.091 1.00 1.23 C ATOM 409 CD1 ILE A 32 -6.124 -0.147 -1.896 1.00 1.72 C ATOM 0 H ILE A 32 -9.994 -1.027 -1.299 1.00 0.21 H new ATOM 0 HA ILE A 32 -10.437 1.064 -3.212 1.00 0.20 H new ATOM 0 HB ILE A 32 -8.062 1.292 -3.172 1.00 0.24 H new ATOM 0 HG12 ILE A 32 -7.898 -1.301 -1.613 1.00 1.11 H new ATOM 0 HG13 ILE A 32 -7.436 -1.092 -3.291 1.00 1.11 H new ATOM 0 HG21 ILE A 32 -7.691 1.528 -0.703 1.00 1.23 H new ATOM 0 HG22 ILE A 32 -9.310 2.094 -1.177 1.00 1.23 H new ATOM 0 HG23 ILE A 32 -9.114 0.500 -0.410 1.00 1.23 H new ATOM 0 HD11 ILE A 32 -5.475 -1.020 -1.826 1.00 1.72 H new ATOM 0 HD12 ILE A 32 -5.715 0.552 -2.626 1.00 1.72 H new ATOM 0 HD13 ILE A 32 -6.185 0.339 -0.922 1.00 1.72 H new ATOM 421 N ILE A 33 -10.555 -0.286 -5.301 1.00 0.21 N ATOM 422 CA ILE A 33 -10.522 -1.010 -6.573 1.00 0.24 C ATOM 423 C ILE A 33 -9.707 -0.220 -7.597 1.00 0.24 C ATOM 424 O ILE A 33 -9.673 1.012 -7.555 1.00 0.24 O ATOM 425 CB ILE A 33 -11.949 -1.215 -7.140 1.00 0.28 C ATOM 426 CG1 ILE A 33 -12.927 -1.608 -6.029 1.00 0.80 C ATOM 427 CG2 ILE A 33 -11.938 -2.276 -8.235 1.00 0.77 C ATOM 428 CD1 ILE A 33 -14.358 -1.759 -6.499 1.00 0.91 C ATOM 0 H ILE A 33 -11.229 0.478 -5.259 1.00 0.21 H new ATOM 0 HA ILE A 33 -10.067 -1.983 -6.388 1.00 0.24 H new ATOM 0 HB ILE A 33 -12.283 -0.271 -7.570 1.00 0.28 H new ATOM 0 HG12 ILE A 33 -12.599 -2.548 -5.585 1.00 0.80 H new ATOM 0 HG13 ILE A 33 -12.890 -0.854 -5.242 1.00 0.80 H new ATOM 0 HG21 ILE A 33 -12.948 -2.409 -8.623 1.00 0.77 H new ATOM 0 HG22 ILE A 33 -11.278 -1.959 -9.042 1.00 0.77 H new ATOM 0 HG23 ILE A 33 -11.581 -3.220 -7.823 1.00 0.77 H new ATOM 0 HD11 ILE A 33 -14.990 -2.038 -5.656 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.706 -0.814 -6.916 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -14.410 -2.534 -7.264 1.00 0.91 H new ATOM 440 N ARG A 34 -9.063 -0.911 -8.525 1.00 0.31 N ATOM 441 CA ARG A 34 -8.375 -0.235 -9.614 1.00 0.35 C ATOM 442 C ARG A 34 -9.363 0.100 -10.719 1.00 0.36 C ATOM 443 O ARG A 34 -9.997 -0.791 -11.289 1.00 0.42 O ATOM 444 CB ARG A 34 -7.234 -1.071 -10.193 1.00 0.48 C ATOM 445 CG ARG A 34 -6.094 -1.340 -9.229 1.00 1.04 C ATOM 446 CD ARG A 34 -4.839 -1.758 -9.978 1.00 1.16 C ATOM 447 NE ARG A 34 -5.138 -2.716 -11.042 1.00 1.48 N ATOM 448 CZ ARG A 34 -4.500 -2.757 -12.209 1.00 1.79 C ATOM 449 NH1 ARG A 34 -3.475 -1.953 -12.444 1.00 2.09 N ATOM 450 NH2 ARG A 34 -4.880 -3.615 -13.145 1.00 2.47 N ATOM 0 H ARG A 34 -9.002 -1.929 -8.547 1.00 0.31 H new ATOM 0 HA ARG A 34 -7.941 0.676 -9.202 1.00 0.35 H new ATOM 0 HB2 ARG A 34 -7.637 -2.025 -10.533 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -6.837 -0.561 -11.071 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -5.891 -0.445 -8.641 1.00 1.04 H new ATOM 0 HG3 ARG A 34 -6.382 -2.123 -8.528 1.00 1.04 H new ATOM 0 HD2 ARG A 34 -4.360 -0.877 -10.405 1.00 1.16 H new ATOM 0 HD3 ARG A 34 -4.128 -2.200 -9.279 1.00 1.16 H new ATOM 0 HE ARG A 34 -5.882 -3.395 -10.879 1.00 1.48 H new ATOM 0 HH11 ARG A 34 -3.168 -1.295 -11.728 1.00 2.09 H new ATOM 0 HH12 ARG A 34 -2.992 -1.991 -13.342 1.00 2.09 H new ATOM 0 HH21 ARG A 34 -5.663 -4.245 -12.971 1.00 2.47 H new ATOM 0 HH22 ARG A 34 -4.390 -3.645 -14.039 1.00 2.47 H new ATOM 464 N ALA A 35 -9.501 1.381 -11.004 1.00 0.37 N ATOM 465 CA ALA A 35 -10.390 1.833 -12.062 1.00 0.46 C ATOM 466 C ALA A 35 -9.612 1.852 -13.360 1.00 0.53 C ATOM 467 O ALA A 35 -10.131 1.566 -14.437 1.00 0.63 O ATOM 468 CB ALA A 35 -10.953 3.211 -11.743 1.00 0.54 C ATOM 0 H ALA A 35 -9.008 2.130 -10.517 1.00 0.37 H new ATOM 0 HA ALA A 35 -11.237 1.153 -12.151 1.00 0.46 H new ATOM 0 HB1 ALA A 35 -11.615 3.529 -12.548 1.00 0.54 H new ATOM 0 HB2 ALA A 35 -11.513 3.168 -10.809 1.00 0.54 H new ATOM 0 HB3 ALA A 35 -10.135 3.924 -11.643 1.00 0.54 H new ATOM 474 N ASN A 36 -8.341 2.170 -13.216 1.00 0.53 N ATOM 475 CA ASN A 36 -7.401 2.172 -14.314 1.00 0.66 C ATOM 476 C ASN A 36 -6.066 1.670 -13.780 1.00 0.65 C ATOM 477 O ASN A 36 -5.846 1.663 -12.569 1.00 0.55 O ATOM 478 CB ASN A 36 -7.278 3.591 -14.890 1.00 0.76 C ATOM 479 CG ASN A 36 -6.254 3.698 -16.002 1.00 1.43 C ATOM 480 OD1 ASN A 36 -5.096 4.033 -15.760 1.00 2.25 O ATOM 481 ND2 ASN A 36 -6.667 3.398 -17.223 1.00 1.93 N ATOM 0 H ASN A 36 -7.929 2.437 -12.322 1.00 0.53 H new ATOM 0 HA ASN A 36 -7.737 1.521 -15.121 1.00 0.66 H new ATOM 0 HB2 ASN A 36 -8.250 3.908 -15.268 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -7.008 4.279 -14.089 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -6.015 3.440 -18.007 1.00 1.93 H new ATOM 0 HD22 ASN A 36 -7.637 3.125 -17.380 1.00 1.93 H new ATOM 488 N ASP A 37 -5.176 1.247 -14.666 1.00 0.81 N ATOM 489 CA ASP A 37 -3.897 0.685 -14.242 1.00 0.88 C ATOM 490 C ASP A 37 -2.967 1.756 -13.692 1.00 0.79 C ATOM 491 O ASP A 37 -1.869 1.453 -13.235 1.00 0.88 O ATOM 492 CB ASP A 37 -3.214 -0.055 -15.395 1.00 1.10 C ATOM 493 CG ASP A 37 -3.839 -1.407 -15.667 1.00 1.76 C ATOM 494 OD1 ASP A 37 -4.826 -1.470 -16.430 1.00 2.10 O ATOM 495 OD2 ASP A 37 -3.347 -2.415 -15.121 1.00 2.51 O ATOM 0 H ASP A 37 -5.312 1.281 -15.676 1.00 0.81 H new ATOM 0 HA ASP A 37 -4.110 -0.025 -13.443 1.00 0.88 H new ATOM 0 HB2 ASP A 37 -3.268 0.555 -16.297 1.00 1.10 H new ATOM 0 HB3 ASP A 37 -2.157 -0.187 -15.163 1.00 1.10 H new ATOM 500 N GLN A 38 -3.406 3.006 -13.747 1.00 0.68 N ATOM 501 CA GLN A 38 -2.636 4.111 -13.195 1.00 0.60 C ATOM 502 C GLN A 38 -3.425 4.854 -12.125 1.00 0.44 C ATOM 503 O GLN A 38 -2.849 5.549 -11.291 1.00 0.39 O ATOM 504 CB GLN A 38 -2.208 5.080 -14.293 1.00 0.71 C ATOM 505 CG GLN A 38 -1.230 4.477 -15.289 1.00 1.53 C ATOM 506 CD GLN A 38 -0.641 5.514 -16.219 1.00 2.01 C ATOM 507 OE1 GLN A 38 -0.484 6.679 -15.845 1.00 2.57 O ATOM 508 NE2 GLN A 38 -0.318 5.105 -17.434 1.00 2.58 N ATOM 0 H GLN A 38 -4.293 3.280 -14.169 1.00 0.68 H new ATOM 0 HA GLN A 38 -1.744 3.688 -12.734 1.00 0.60 H new ATOM 0 HB2 GLN A 38 -3.093 5.424 -14.828 1.00 0.71 H new ATOM 0 HB3 GLN A 38 -1.752 5.957 -13.834 1.00 0.71 H new ATOM 0 HG2 GLN A 38 -0.425 3.979 -14.748 1.00 1.53 H new ATOM 0 HG3 GLN A 38 -1.739 3.713 -15.877 1.00 1.53 H new ATOM 0 HE21 GLN A 38 -0.465 4.131 -17.700 1.00 2.58 H new ATOM 0 HE22 GLN A 38 0.079 5.763 -18.105 1.00 2.58 H new ATOM 517 N TYR A 39 -4.746 4.711 -12.153 1.00 0.43 N ATOM 518 CA TYR A 39 -5.604 5.411 -11.207 1.00 0.41 C ATOM 519 C TYR A 39 -6.485 4.439 -10.428 1.00 0.34 C ATOM 520 O TYR A 39 -7.130 3.562 -11.002 1.00 0.36 O ATOM 521 CB TYR A 39 -6.476 6.444 -11.925 1.00 0.64 C ATOM 522 CG TYR A 39 -5.704 7.641 -12.426 1.00 0.92 C ATOM 523 CD1 TYR A 39 -5.524 8.766 -11.631 1.00 1.50 C ATOM 524 CD2 TYR A 39 -5.160 7.646 -13.704 1.00 1.31 C ATOM 525 CE1 TYR A 39 -4.824 9.863 -12.096 1.00 2.23 C ATOM 526 CE2 TYR A 39 -4.457 8.736 -14.176 1.00 1.97 C ATOM 527 CZ TYR A 39 -4.270 9.846 -13.329 1.00 2.39 C ATOM 528 OH TYR A 39 -3.596 10.933 -13.844 1.00 3.17 O ATOM 0 H TYR A 39 -5.243 4.119 -12.818 1.00 0.43 H new ATOM 0 HA TYR A 39 -4.955 5.926 -10.499 1.00 0.41 H new ATOM 0 HB2 TYR A 39 -6.974 5.964 -12.768 1.00 0.64 H new ATOM 0 HB3 TYR A 39 -7.257 6.784 -11.245 1.00 0.64 H new ATOM 0 HD1 TYR A 39 -5.938 8.784 -10.634 1.00 1.50 H new ATOM 0 HD2 TYR A 39 -5.289 6.782 -14.339 1.00 1.31 H new ATOM 0 HE1 TYR A 39 -4.719 10.738 -11.472 1.00 2.23 H new ATOM 0 HE2 TYR A 39 -4.057 8.738 -15.179 1.00 1.97 H new ATOM 0 HH TYR A 39 -3.271 10.720 -14.744 1.00 3.17 H new ATOM 538 N LEU A 40 -6.524 4.621 -9.119 1.00 0.31 N ATOM 539 CA LEU A 40 -7.260 3.732 -8.232 1.00 0.28 C ATOM 540 C LEU A 40 -8.193 4.534 -7.332 1.00 0.25 C ATOM 541 O LEU A 40 -7.808 5.563 -6.781 1.00 0.29 O ATOM 542 CB LEU A 40 -6.258 2.904 -7.412 1.00 0.30 C ATOM 543 CG LEU A 40 -6.830 1.723 -6.622 1.00 0.51 C ATOM 544 CD1 LEU A 40 -5.728 0.724 -6.305 1.00 1.21 C ATOM 545 CD2 LEU A 40 -7.485 2.190 -5.330 1.00 1.31 C ATOM 0 H LEU A 40 -6.048 5.386 -8.641 1.00 0.31 H new ATOM 0 HA LEU A 40 -7.880 3.052 -8.817 1.00 0.28 H new ATOM 0 HB2 LEU A 40 -5.495 2.523 -8.091 1.00 0.30 H new ATOM 0 HB3 LEU A 40 -5.757 3.572 -6.712 1.00 0.30 H new ATOM 0 HG LEU A 40 -7.590 1.244 -7.239 1.00 0.51 H new ATOM 0 HD11 LEU A 40 -6.145 -0.112 -5.743 1.00 1.21 H new ATOM 0 HD12 LEU A 40 -5.293 0.356 -7.234 1.00 1.21 H new ATOM 0 HD13 LEU A 40 -4.955 1.211 -5.710 1.00 1.21 H new ATOM 0 HD21 LEU A 40 -7.882 1.329 -4.791 1.00 1.31 H new ATOM 0 HD22 LEU A 40 -6.746 2.697 -4.710 1.00 1.31 H new ATOM 0 HD23 LEU A 40 -8.297 2.879 -5.562 1.00 1.31 H new ATOM 557 N THR A 41 -9.422 4.058 -7.206 1.00 0.24 N ATOM 558 CA THR A 41 -10.415 4.697 -6.361 1.00 0.22 C ATOM 559 C THR A 41 -11.019 3.668 -5.410 1.00 0.19 C ATOM 560 O THR A 41 -11.296 2.529 -5.789 1.00 0.21 O ATOM 561 CB THR A 41 -11.531 5.366 -7.202 1.00 0.27 C ATOM 562 OG1 THR A 41 -12.489 6.006 -6.347 1.00 1.36 O ATOM 563 CG2 THR A 41 -12.237 4.356 -8.098 1.00 1.28 C ATOM 0 H THR A 41 -9.757 3.222 -7.685 1.00 0.24 H new ATOM 0 HA THR A 41 -9.919 5.479 -5.786 1.00 0.22 H new ATOM 0 HB THR A 41 -11.057 6.114 -7.837 1.00 0.27 H new ATOM 0 HG1 THR A 41 -13.186 6.425 -6.893 1.00 1.36 H new ATOM 0 HG21 THR A 41 -13.013 4.860 -8.673 1.00 1.28 H new ATOM 0 HG22 THR A 41 -11.515 3.907 -8.779 1.00 1.28 H new ATOM 0 HG23 THR A 41 -12.689 3.578 -7.483 1.00 1.28 H new ATOM 571 N ALA A 42 -11.191 4.067 -4.169 1.00 0.19 N ATOM 572 CA ALA A 42 -11.748 3.189 -3.152 1.00 0.20 C ATOM 573 C ALA A 42 -13.266 3.318 -3.086 1.00 0.20 C ATOM 574 O ALA A 42 -13.804 4.420 -3.177 1.00 0.27 O ATOM 575 CB ALA A 42 -11.132 3.497 -1.801 1.00 0.26 C ATOM 0 H ALA A 42 -10.952 5.000 -3.834 1.00 0.19 H new ATOM 0 HA ALA A 42 -11.510 2.160 -3.423 1.00 0.20 H new ATOM 0 HB1 ALA A 42 -11.557 2.833 -1.048 1.00 0.26 H new ATOM 0 HB2 ALA A 42 -10.053 3.347 -1.850 1.00 0.26 H new ATOM 0 HB3 ALA A 42 -11.342 4.532 -1.533 1.00 0.26 H new ATOM 581 N ALA A 43 -13.947 2.188 -2.941 1.00 0.20 N ATOM 582 CA ALA A 43 -15.414 2.184 -2.827 1.00 0.29 C ATOM 583 C ALA A 43 -15.896 1.015 -1.971 1.00 0.35 C ATOM 584 O ALA A 43 -15.451 -0.115 -2.164 1.00 0.40 O ATOM 585 CB ALA A 43 -16.041 2.112 -4.210 1.00 0.38 C ATOM 0 H ALA A 43 -13.517 1.264 -2.899 1.00 0.20 H new ATOM 0 HA ALA A 43 -15.721 3.109 -2.340 1.00 0.29 H new ATOM 0 HB1 ALA A 43 -17.127 2.109 -4.117 1.00 0.38 H new ATOM 0 HB2 ALA A 43 -15.729 2.976 -4.796 1.00 0.38 H new ATOM 0 HB3 ALA A 43 -15.717 1.199 -4.709 1.00 0.38 H new ATOM 591 N ALA A 44 -16.815 1.284 -1.031 1.00 0.63 N ATOM 592 CA ALA A 44 -17.252 0.263 -0.081 1.00 0.65 C ATOM 593 C ALA A 44 -17.979 -0.901 -0.752 1.00 0.46 C ATOM 594 O ALA A 44 -19.064 -0.754 -1.320 1.00 0.79 O ATOM 595 CB ALA A 44 -18.155 0.892 0.968 1.00 1.13 C ATOM 0 H ALA A 44 -17.263 2.193 -0.913 1.00 0.63 H new ATOM 0 HA ALA A 44 -16.354 -0.145 0.384 1.00 0.65 H new ATOM 0 HB1 ALA A 44 -18.479 0.128 1.675 1.00 1.13 H new ATOM 0 HB2 ALA A 44 -17.607 1.670 1.500 1.00 1.13 H new ATOM 0 HB3 ALA A 44 -19.027 1.330 0.482 1.00 1.13 H new ATOM 601 N LEU A 45 -17.351 -2.055 -0.659 1.00 0.47 N ATOM 602 CA LEU A 45 -17.919 -3.331 -1.041 1.00 0.66 C ATOM 603 C LEU A 45 -18.745 -3.968 0.057 1.00 0.62 C ATOM 604 O LEU A 45 -18.652 -3.600 1.229 1.00 0.88 O ATOM 605 CB LEU A 45 -16.852 -4.276 -1.542 1.00 1.23 C ATOM 606 CG LEU A 45 -16.288 -3.876 -2.895 1.00 2.25 C ATOM 607 CD1 LEU A 45 -15.121 -4.748 -3.244 1.00 2.87 C ATOM 608 CD2 LEU A 45 -17.358 -3.961 -3.973 1.00 2.93 C ATOM 0 H LEU A 45 -16.398 -2.133 -0.303 1.00 0.47 H new ATOM 0 HA LEU A 45 -18.608 -3.126 -1.860 1.00 0.66 H new ATOM 0 HB2 LEU A 45 -16.041 -4.317 -0.815 1.00 1.23 H new ATOM 0 HB3 LEU A 45 -17.269 -5.281 -1.612 1.00 1.23 H new ATOM 0 HG LEU A 45 -15.949 -2.842 -2.836 1.00 2.25 H new ATOM 0 HD11 LEU A 45 -14.724 -4.453 -4.215 1.00 2.87 H new ATOM 0 HD12 LEU A 45 -14.345 -4.638 -2.486 1.00 2.87 H new ATOM 0 HD13 LEU A 45 -15.443 -5.788 -3.284 1.00 2.87 H new ATOM 0 HD21 LEU A 45 -16.931 -3.670 -4.933 1.00 2.93 H new ATOM 0 HD22 LEU A 45 -17.730 -4.983 -4.036 1.00 2.93 H new ATOM 0 HD23 LEU A 45 -18.180 -3.290 -3.723 1.00 2.93 H new ATOM 620 N HIS A 46 -19.540 -4.937 -0.346 1.00 0.61 N ATOM 621 CA HIS A 46 -20.333 -5.729 0.574 1.00 0.80 C ATOM 622 C HIS A 46 -20.129 -7.212 0.241 1.00 0.76 C ATOM 623 O HIS A 46 -20.457 -8.089 1.037 1.00 0.94 O ATOM 624 CB HIS A 46 -21.816 -5.349 0.474 1.00 1.06 C ATOM 625 CG HIS A 46 -22.721 -6.244 1.269 1.00 1.87 C ATOM 626 ND1 HIS A 46 -22.749 -6.258 2.644 1.00 2.69 N ATOM 627 CD2 HIS A 46 -23.603 -7.187 0.868 1.00 2.79 C ATOM 628 CE1 HIS A 46 -23.601 -7.176 3.056 1.00 3.63 C ATOM 629 NE2 HIS A 46 -24.136 -7.758 1.997 1.00 3.71 N ATOM 0 H HIS A 46 -19.656 -5.199 -1.325 1.00 0.61 H new ATOM 0 HA HIS A 46 -20.013 -5.536 1.598 1.00 0.80 H new ATOM 0 HB2 HIS A 46 -21.943 -4.322 0.816 1.00 1.06 H new ATOM 0 HB3 HIS A 46 -22.120 -5.376 -0.572 1.00 1.06 H new ATOM 0 HD2 HIS A 46 -23.844 -7.444 -0.153 1.00 2.79 H new ATOM 0 HE1 HIS A 46 -23.824 -7.413 4.086 1.00 3.63 H new ATOM 0 HE2 HIS A 46 -24.829 -8.506 2.015 1.00 3.71 H new ATOM 638 N ASN A 47 -19.571 -7.488 -0.937 1.00 0.66 N ATOM 639 CA ASN A 47 -19.021 -8.816 -1.216 1.00 0.71 C ATOM 640 C ASN A 47 -17.580 -8.860 -0.727 1.00 0.76 C ATOM 641 O ASN A 47 -16.964 -9.918 -0.657 1.00 0.88 O ATOM 642 CB ASN A 47 -19.015 -9.069 -2.722 1.00 0.74 C ATOM 643 CG ASN A 47 -19.084 -10.544 -3.105 1.00 1.42 C ATOM 644 OD1 ASN A 47 -19.731 -10.904 -4.087 1.00 2.21 O ATOM 645 ND2 ASN A 47 -18.396 -11.399 -2.371 1.00 1.94 N ATOM 0 H ASN A 47 -19.488 -6.821 -1.704 1.00 0.66 H new ATOM 0 HA ASN A 47 -19.629 -9.569 -0.714 1.00 0.71 H new ATOM 0 HB2 ASN A 47 -19.861 -8.548 -3.171 1.00 0.74 H new ATOM 0 HB3 ASN A 47 -18.111 -8.635 -3.149 1.00 0.74 H new ATOM 0 HD21 ASN A 47 -18.391 -12.390 -2.613 1.00 1.94 H new ATOM 0 HD22 ASN A 47 -17.869 -11.069 -1.562 1.00 1.94 H new ATOM 652 N LEU A 48 -17.095 -7.692 -0.322 1.00 0.77 N ATOM 653 CA LEU A 48 -15.730 -7.491 0.139 1.00 0.89 C ATOM 654 C LEU A 48 -14.694 -7.780 -0.959 1.00 0.81 C ATOM 655 O LEU A 48 -14.009 -6.865 -1.405 1.00 0.78 O ATOM 656 CB LEU A 48 -15.477 -8.264 1.435 1.00 1.15 C ATOM 657 CG LEU A 48 -16.380 -7.808 2.593 1.00 1.37 C ATOM 658 CD1 LEU A 48 -16.023 -8.505 3.892 1.00 1.71 C ATOM 659 CD2 LEU A 48 -16.297 -6.300 2.766 1.00 1.66 C ATOM 0 H LEU A 48 -17.655 -6.839 -0.305 1.00 0.77 H new ATOM 0 HA LEU A 48 -15.604 -6.434 0.373 1.00 0.89 H new ATOM 0 HB2 LEU A 48 -15.636 -9.327 1.254 1.00 1.15 H new ATOM 0 HB3 LEU A 48 -14.434 -8.143 1.726 1.00 1.15 H new ATOM 0 HG LEU A 48 -17.404 -8.083 2.340 1.00 1.37 H new ATOM 0 HD11 LEU A 48 -16.683 -8.156 4.686 1.00 1.71 H new ATOM 0 HD12 LEU A 48 -16.139 -9.582 3.771 1.00 1.71 H new ATOM 0 HD13 LEU A 48 -14.989 -8.279 4.154 1.00 1.71 H new ATOM 0 HD21 LEU A 48 -16.942 -5.992 3.589 1.00 1.66 H new ATOM 0 HD22 LEU A 48 -15.268 -6.015 2.985 1.00 1.66 H new ATOM 0 HD23 LEU A 48 -16.622 -5.810 1.848 1.00 1.66 H new ATOM 671 N ASP A 49 -14.586 -9.022 -1.413 1.00 0.83 N ATOM 672 CA ASP A 49 -13.606 -9.364 -2.452 1.00 0.83 C ATOM 673 C ASP A 49 -14.122 -9.015 -3.849 1.00 0.75 C ATOM 674 O ASP A 49 -14.713 -9.838 -4.549 1.00 0.83 O ATOM 675 CB ASP A 49 -13.218 -10.844 -2.383 1.00 1.00 C ATOM 676 CG ASP A 49 -12.237 -11.254 -3.472 1.00 1.20 C ATOM 677 OD1 ASP A 49 -11.128 -10.677 -3.527 1.00 1.87 O ATOM 678 OD2 ASP A 49 -12.575 -12.134 -4.284 1.00 1.53 O ATOM 0 H ASP A 49 -15.154 -9.804 -1.088 1.00 0.83 H new ATOM 0 HA ASP A 49 -12.715 -8.765 -2.261 1.00 0.83 H new ATOM 0 HB2 ASP A 49 -12.778 -11.053 -1.408 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -14.118 -11.454 -2.464 1.00 1.00 H new ATOM 683 N GLU A 50 -13.926 -7.761 -4.212 1.00 0.66 N ATOM 684 CA GLU A 50 -14.195 -7.272 -5.561 1.00 0.72 C ATOM 685 C GLU A 50 -13.203 -6.154 -5.865 1.00 0.62 C ATOM 686 O GLU A 50 -12.854 -5.896 -7.017 1.00 0.68 O ATOM 687 CB GLU A 50 -15.638 -6.780 -5.731 1.00 0.94 C ATOM 688 CG GLU A 50 -16.004 -6.495 -7.182 1.00 1.25 C ATOM 689 CD GLU A 50 -17.347 -5.814 -7.337 1.00 1.93 C ATOM 690 OE1 GLU A 50 -18.385 -6.506 -7.272 1.00 2.66 O ATOM 691 OE2 GLU A 50 -17.370 -4.581 -7.552 1.00 2.35 O ATOM 0 H GLU A 50 -13.573 -7.044 -3.578 1.00 0.66 H new ATOM 0 HA GLU A 50 -14.074 -8.096 -6.265 1.00 0.72 H new ATOM 0 HB2 GLU A 50 -16.321 -7.529 -5.331 1.00 0.94 H new ATOM 0 HB3 GLU A 50 -15.778 -5.874 -5.142 1.00 0.94 H new ATOM 0 HG2 GLU A 50 -15.232 -5.867 -7.628 1.00 1.25 H new ATOM 0 HG3 GLU A 50 -16.013 -7.432 -7.738 1.00 1.25 H new ATOM 698 N ALA A 51 -12.743 -5.504 -4.800 1.00 0.52 N ATOM 699 CA ALA A 51 -11.686 -4.521 -4.890 1.00 0.43 C ATOM 700 C ALA A 51 -10.377 -5.253 -5.046 1.00 0.32 C ATOM 701 O ALA A 51 -10.297 -6.450 -4.763 1.00 0.33 O ATOM 702 CB ALA A 51 -11.637 -3.689 -3.630 1.00 0.50 C ATOM 0 H ALA A 51 -13.097 -5.649 -3.854 1.00 0.52 H new ATOM 0 HA ALA A 51 -11.868 -3.863 -5.739 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -10.837 -2.953 -3.711 1.00 0.50 H new ATOM 0 HB2 ALA A 51 -12.589 -3.176 -3.495 1.00 0.50 H new ATOM 0 HB3 ALA A 51 -11.449 -4.336 -2.774 1.00 0.50 H new ATOM 708 N VAL A 52 -9.356 -4.566 -5.506 1.00 0.28 N ATOM 709 CA VAL A 52 -8.111 -5.231 -5.775 1.00 0.26 C ATOM 710 C VAL A 52 -7.448 -5.630 -4.472 1.00 0.22 C ATOM 711 O VAL A 52 -7.304 -4.844 -3.537 1.00 0.23 O ATOM 712 CB VAL A 52 -7.149 -4.396 -6.646 1.00 0.29 C ATOM 713 CG1 VAL A 52 -7.713 -4.246 -8.047 1.00 0.38 C ATOM 714 CG2 VAL A 52 -6.893 -3.031 -6.033 1.00 0.31 C ATOM 0 H VAL A 52 -9.365 -3.564 -5.698 1.00 0.28 H new ATOM 0 HA VAL A 52 -8.345 -6.123 -6.356 1.00 0.26 H new ATOM 0 HB VAL A 52 -6.196 -4.923 -6.698 1.00 0.29 H new ATOM 0 HG11 VAL A 52 -7.027 -3.655 -8.654 1.00 0.38 H new ATOM 0 HG12 VAL A 52 -7.839 -5.231 -8.496 1.00 0.38 H new ATOM 0 HG13 VAL A 52 -8.679 -3.744 -7.998 1.00 0.38 H new ATOM 0 HG21 VAL A 52 -6.212 -2.468 -6.671 1.00 0.31 H new ATOM 0 HG22 VAL A 52 -7.835 -2.491 -5.942 1.00 0.31 H new ATOM 0 HG23 VAL A 52 -6.448 -3.153 -5.045 1.00 0.31 H new ATOM 724 N LYS A 53 -7.093 -6.888 -4.439 1.00 0.22 N ATOM 725 CA LYS A 53 -6.563 -7.542 -3.248 1.00 0.22 C ATOM 726 C LYS A 53 -5.056 -7.542 -3.272 1.00 0.18 C ATOM 727 O LYS A 53 -4.423 -7.986 -4.232 1.00 0.24 O ATOM 728 CB LYS A 53 -7.115 -8.971 -3.146 1.00 0.35 C ATOM 729 CG LYS A 53 -7.064 -9.749 -4.454 1.00 0.78 C ATOM 730 CD LYS A 53 -7.602 -11.162 -4.298 1.00 1.12 C ATOM 731 CE LYS A 53 -7.485 -11.942 -5.596 1.00 1.37 C ATOM 732 NZ LYS A 53 -7.971 -13.341 -5.459 1.00 1.59 N ATOM 0 H LYS A 53 -7.161 -7.506 -5.247 1.00 0.22 H new ATOM 0 HA LYS A 53 -6.882 -6.987 -2.366 1.00 0.22 H new ATOM 0 HB2 LYS A 53 -6.550 -9.515 -2.389 1.00 0.35 H new ATOM 0 HB3 LYS A 53 -8.148 -8.927 -2.801 1.00 0.35 H new ATOM 0 HG2 LYS A 53 -7.644 -9.222 -5.212 1.00 0.78 H new ATOM 0 HG3 LYS A 53 -6.035 -9.790 -4.811 1.00 0.78 H new ATOM 0 HD2 LYS A 53 -7.053 -11.678 -3.510 1.00 1.12 H new ATOM 0 HD3 LYS A 53 -8.646 -11.124 -3.987 1.00 1.12 H new ATOM 0 HE2 LYS A 53 -8.056 -11.436 -6.374 1.00 1.37 H new ATOM 0 HE3 LYS A 53 -6.444 -11.951 -5.919 1.00 1.37 H new ATOM 0 HZ1 LYS A 53 -8.288 -13.691 -6.386 1.00 1.59 H new ATOM 0 HZ2 LYS A 53 -7.200 -13.944 -5.107 1.00 1.59 H new ATOM 0 HZ3 LYS A 53 -8.765 -13.368 -4.788 1.00 1.59 H new ATOM 746 N PHE A 54 -4.500 -7.029 -2.192 1.00 0.18 N ATOM 747 CA PHE A 54 -3.099 -6.761 -2.092 1.00 0.19 C ATOM 748 C PHE A 54 -2.396 -7.835 -1.298 1.00 0.20 C ATOM 749 O PHE A 54 -3.022 -8.639 -0.603 1.00 0.23 O ATOM 750 CB PHE A 54 -2.867 -5.398 -1.425 1.00 0.25 C ATOM 751 CG PHE A 54 -3.224 -4.218 -2.288 1.00 1.22 C ATOM 752 CD1 PHE A 54 -4.551 -3.897 -2.524 1.00 1.57 C ATOM 753 CD2 PHE A 54 -2.241 -3.438 -2.865 1.00 1.95 C ATOM 754 CE1 PHE A 54 -4.890 -2.823 -3.320 1.00 2.60 C ATOM 755 CE2 PHE A 54 -2.574 -2.360 -3.659 1.00 2.98 C ATOM 756 CZ PHE A 54 -3.865 -2.029 -3.871 1.00 3.31 C ATOM 0 H PHE A 54 -5.026 -6.787 -1.353 1.00 0.18 H new ATOM 0 HA PHE A 54 -2.688 -6.748 -3.101 1.00 0.19 H new ATOM 0 HB2 PHE A 54 -3.452 -5.352 -0.506 1.00 0.25 H new ATOM 0 HB3 PHE A 54 -1.818 -5.320 -1.139 1.00 0.25 H new ATOM 0 HD1 PHE A 54 -5.331 -4.496 -2.078 1.00 1.57 H new ATOM 0 HD2 PHE A 54 -1.201 -3.674 -2.693 1.00 1.95 H new ATOM 0 HE1 PHE A 54 -5.927 -2.594 -3.518 1.00 2.60 H new ATOM 0 HE2 PHE A 54 -1.791 -1.773 -4.117 1.00 2.98 H new ATOM 0 HZ PHE A 54 -4.111 -1.159 -4.461 1.00 3.31 H new ATOM 766 N ASP A 55 -1.090 -7.802 -1.398 1.00 0.21 N ATOM 767 CA ASP A 55 -0.227 -8.677 -0.633 1.00 0.22 C ATOM 768 C ASP A 55 0.949 -7.854 -0.141 1.00 0.23 C ATOM 769 O ASP A 55 1.569 -7.115 -0.909 1.00 0.27 O ATOM 770 CB ASP A 55 0.333 -9.836 -1.480 1.00 0.24 C ATOM 771 CG ASP A 55 -0.611 -10.366 -2.547 1.00 1.33 C ATOM 772 OD1 ASP A 55 -1.698 -10.876 -2.211 1.00 1.89 O ATOM 773 OD2 ASP A 55 -0.242 -10.309 -3.733 1.00 1.93 O ATOM 0 H ASP A 55 -0.589 -7.164 -2.016 1.00 0.21 H new ATOM 0 HA ASP A 55 -0.813 -9.103 0.181 1.00 0.22 H new ATOM 0 HB2 ASP A 55 1.252 -9.503 -1.962 1.00 0.24 H new ATOM 0 HB3 ASP A 55 0.602 -10.656 -0.814 1.00 0.24 H new ATOM 778 N MET A 56 1.230 -7.967 1.143 1.00 0.24 N ATOM 779 CA MET A 56 2.309 -7.237 1.766 1.00 0.25 C ATOM 780 C MET A 56 3.439 -8.177 2.109 1.00 0.25 C ATOM 781 O MET A 56 3.225 -9.275 2.623 1.00 0.30 O ATOM 782 CB MET A 56 1.819 -6.541 3.038 1.00 0.33 C ATOM 783 CG MET A 56 0.804 -5.440 2.789 1.00 0.97 C ATOM 784 SD MET A 56 0.008 -4.874 4.307 1.00 1.19 S ATOM 785 CE MET A 56 1.432 -4.466 5.314 1.00 1.85 C ATOM 0 H MET A 56 0.713 -8.570 1.782 1.00 0.24 H new ATOM 0 HA MET A 56 2.666 -6.483 1.064 1.00 0.25 H new ATOM 0 HB2 MET A 56 1.377 -7.286 3.700 1.00 0.33 H new ATOM 0 HB3 MET A 56 2.677 -6.119 3.562 1.00 0.33 H new ATOM 0 HG2 MET A 56 1.299 -4.597 2.306 1.00 0.97 H new ATOM 0 HG3 MET A 56 0.043 -5.802 2.097 1.00 0.97 H new ATOM 0 HE1 MET A 56 1.150 -3.722 6.059 1.00 1.85 H new ATOM 0 HE2 MET A 56 1.792 -5.364 5.817 1.00 1.85 H new ATOM 0 HE3 MET A 56 2.222 -4.064 4.680 1.00 1.85 H new ATOM 795 N GLY A 57 4.630 -7.734 1.822 1.00 0.26 N ATOM 796 CA GLY A 57 5.806 -8.456 2.169 1.00 0.32 C ATOM 797 C GLY A 57 6.813 -7.479 2.688 1.00 0.31 C ATOM 798 O GLY A 57 7.080 -6.472 2.039 1.00 0.35 O ATOM 0 H GLY A 57 4.806 -6.854 1.337 1.00 0.26 H new ATOM 0 HA2 GLY A 57 5.582 -9.209 2.924 1.00 0.32 H new ATOM 0 HA3 GLY A 57 6.200 -8.983 1.300 1.00 0.32 H new ATOM 802 N ALA A 58 7.348 -7.715 3.850 1.00 0.37 N ATOM 803 CA ALA A 58 8.254 -6.754 4.424 1.00 0.38 C ATOM 804 C ALA A 58 9.646 -7.025 3.924 1.00 0.42 C ATOM 805 O ALA A 58 10.007 -8.166 3.655 1.00 0.61 O ATOM 806 CB ALA A 58 8.208 -6.805 5.943 1.00 0.51 C ATOM 0 H ALA A 58 7.179 -8.548 4.414 1.00 0.37 H new ATOM 0 HA ALA A 58 7.951 -5.752 4.119 1.00 0.38 H new ATOM 0 HB1 ALA A 58 8.901 -6.070 6.353 1.00 0.51 H new ATOM 0 HB2 ALA A 58 7.197 -6.581 6.284 1.00 0.51 H new ATOM 0 HB3 ALA A 58 8.493 -7.801 6.282 1.00 0.51 H new ATOM 812 N TYR A 59 10.423 -5.991 3.745 1.00 0.45 N ATOM 813 CA TYR A 59 11.820 -6.222 3.425 1.00 0.61 C ATOM 814 C TYR A 59 12.728 -5.398 4.314 1.00 0.72 C ATOM 815 O TYR A 59 12.353 -4.318 4.760 1.00 0.81 O ATOM 816 CB TYR A 59 12.111 -6.021 1.935 1.00 0.93 C ATOM 817 CG TYR A 59 11.414 -4.872 1.261 1.00 1.64 C ATOM 818 CD1 TYR A 59 10.081 -4.959 0.897 1.00 2.01 C ATOM 819 CD2 TYR A 59 12.080 -3.678 1.043 1.00 2.54 C ATOM 820 CE1 TYR A 59 9.430 -3.884 0.332 1.00 3.08 C ATOM 821 CE2 TYR A 59 11.440 -2.606 0.470 1.00 3.70 C ATOM 822 CZ TYR A 59 10.147 -2.805 -0.078 1.00 3.92 C ATOM 823 OH TYR A 59 9.478 -1.627 -0.434 1.00 5.11 O ATOM 0 H TYR A 59 10.136 -5.014 3.810 1.00 0.45 H new ATOM 0 HA TYR A 59 12.037 -7.270 3.633 1.00 0.61 H new ATOM 0 HB2 TYR A 59 13.186 -5.886 1.813 1.00 0.93 H new ATOM 0 HB3 TYR A 59 11.843 -6.937 1.409 1.00 0.93 H new ATOM 0 HD1 TYR A 59 9.544 -5.882 1.058 1.00 2.01 H new ATOM 0 HD2 TYR A 59 13.118 -3.588 1.328 1.00 2.54 H new ATOM 0 HE1 TYR A 59 8.356 -3.899 0.216 1.00 3.08 H new ATOM 0 HE2 TYR A 59 11.910 -1.634 0.438 1.00 3.70 H new ATOM 0 HH TYR A 59 8.510 -1.770 -0.377 1.00 5.11 H new ATOM 833 N LYS A 60 13.932 -5.912 4.577 1.00 0.92 N ATOM 834 CA LYS A 60 14.743 -5.349 5.649 1.00 1.13 C ATOM 835 C LYS A 60 16.221 -5.226 5.301 1.00 1.50 C ATOM 836 O LYS A 60 16.880 -6.200 4.934 1.00 1.77 O ATOM 837 CB LYS A 60 14.573 -6.213 6.905 1.00 1.30 C ATOM 838 CG LYS A 60 15.179 -5.628 8.178 1.00 1.66 C ATOM 839 CD LYS A 60 16.659 -5.967 8.355 1.00 2.14 C ATOM 840 CE LYS A 60 16.900 -7.460 8.557 1.00 2.79 C ATOM 841 NZ LYS A 60 16.991 -8.206 7.269 1.00 3.47 N ATOM 0 H LYS A 60 14.354 -6.694 4.077 1.00 0.92 H new ATOM 0 HA LYS A 60 14.389 -4.332 5.819 1.00 1.13 H new ATOM 0 HB2 LYS A 60 13.509 -6.380 7.071 1.00 1.30 H new ATOM 0 HB3 LYS A 60 15.024 -7.188 6.721 1.00 1.30 H new ATOM 0 HG2 LYS A 60 15.061 -4.545 8.164 1.00 1.66 H new ATOM 0 HG3 LYS A 60 14.623 -5.998 9.040 1.00 1.66 H new ATOM 0 HD2 LYS A 60 17.212 -5.629 7.479 1.00 2.14 H new ATOM 0 HD3 LYS A 60 17.053 -5.420 9.212 1.00 2.14 H new ATOM 0 HE2 LYS A 60 17.822 -7.602 9.121 1.00 2.79 H new ATOM 0 HE3 LYS A 60 16.091 -7.877 9.158 1.00 2.79 H new ATOM 0 HZ1 LYS A 60 16.136 -8.784 7.141 1.00 3.47 H new ATOM 0 HZ2 LYS A 60 17.074 -7.531 6.482 1.00 3.47 H new ATOM 0 HZ3 LYS A 60 17.827 -8.824 7.284 1.00 3.47 H new ATOM 855 N SER A 61 16.694 -3.999 5.387 1.00 1.67 N ATOM 856 CA SER A 61 18.091 -3.674 5.601 1.00 2.15 C ATOM 857 C SER A 61 18.077 -2.470 6.521 1.00 2.02 C ATOM 858 O SER A 61 17.072 -1.767 6.560 1.00 1.72 O ATOM 859 CB SER A 61 18.814 -3.372 4.282 1.00 2.67 C ATOM 860 OG SER A 61 18.074 -2.479 3.465 1.00 3.06 O ATOM 0 H SER A 61 16.099 -3.175 5.307 1.00 1.67 H new ATOM 0 HA SER A 61 18.637 -4.510 6.037 1.00 2.15 H new ATOM 0 HB2 SER A 61 19.793 -2.943 4.495 1.00 2.67 H new ATOM 0 HB3 SER A 61 18.985 -4.302 3.740 1.00 2.67 H new ATOM 0 HG SER A 61 18.265 -2.664 2.522 1.00 3.06 H new ATOM 866 N SER A 62 19.130 -2.195 7.261 1.00 2.37 N ATOM 867 CA SER A 62 19.047 -1.097 8.208 1.00 2.25 C ATOM 868 C SER A 62 19.429 0.228 7.558 1.00 2.37 C ATOM 869 O SER A 62 20.202 1.009 8.112 1.00 2.59 O ATOM 870 CB SER A 62 19.933 -1.390 9.417 1.00 2.65 C ATOM 871 OG SER A 62 21.207 -1.871 9.013 1.00 2.99 O ATOM 0 H SER A 62 20.021 -2.691 7.232 1.00 2.37 H new ATOM 0 HA SER A 62 18.013 -1.005 8.542 1.00 2.25 H new ATOM 0 HB2 SER A 62 20.054 -0.484 10.011 1.00 2.65 H new ATOM 0 HB3 SER A 62 19.448 -2.128 10.057 1.00 2.65 H new ATOM 0 HG SER A 62 21.756 -2.049 9.805 1.00 2.99 H new ATOM 877 N LYS A 63 18.881 0.477 6.372 1.00 2.37 N ATOM 878 CA LYS A 63 18.980 1.783 5.747 1.00 2.64 C ATOM 879 C LYS A 63 17.611 2.355 5.401 1.00 2.48 C ATOM 880 O LYS A 63 17.468 3.046 4.391 1.00 2.87 O ATOM 881 CB LYS A 63 19.878 1.757 4.508 1.00 3.20 C ATOM 882 CG LYS A 63 21.365 1.823 4.836 1.00 3.62 C ATOM 883 CD LYS A 63 21.678 2.958 5.810 1.00 4.18 C ATOM 884 CE LYS A 63 21.243 4.320 5.277 1.00 4.77 C ATOM 885 NZ LYS A 63 22.123 4.818 4.190 1.00 5.27 N ATOM 0 H LYS A 63 18.364 -0.213 5.827 1.00 2.37 H new ATOM 0 HA LYS A 63 19.442 2.441 6.483 1.00 2.64 H new ATOM 0 HB2 LYS A 63 19.678 0.847 3.943 1.00 3.20 H new ATOM 0 HB3 LYS A 63 19.618 2.596 3.863 1.00 3.20 H new ATOM 0 HG2 LYS A 63 21.685 0.874 5.267 1.00 3.62 H new ATOM 0 HG3 LYS A 63 21.935 1.964 3.917 1.00 3.62 H new ATOM 0 HD2 LYS A 63 21.178 2.766 6.759 1.00 4.18 H new ATOM 0 HD3 LYS A 63 22.749 2.975 6.011 1.00 4.18 H new ATOM 0 HE2 LYS A 63 20.220 4.251 4.908 1.00 4.77 H new ATOM 0 HE3 LYS A 63 21.239 5.041 6.094 1.00 4.77 H new ATOM 0 HZ1 LYS A 63 21.782 5.745 3.865 1.00 5.27 H new ATOM 0 HZ2 LYS A 63 23.096 4.912 4.546 1.00 5.27 H new ATOM 0 HZ3 LYS A 63 22.108 4.146 3.396 1.00 5.27 H new ATOM 899 N ASP A 64 16.603 2.067 6.217 1.00 2.02 N ATOM 900 CA ASP A 64 15.307 2.717 6.050 1.00 2.02 C ATOM 901 C ASP A 64 15.410 4.133 6.610 1.00 2.36 C ATOM 902 O ASP A 64 16.276 4.907 6.196 1.00 2.81 O ATOM 903 CB ASP A 64 14.213 1.951 6.790 1.00 1.53 C ATOM 904 CG ASP A 64 14.018 0.529 6.292 1.00 1.63 C ATOM 905 OD1 ASP A 64 13.430 0.346 5.203 1.00 1.88 O ATOM 906 OD2 ASP A 64 14.441 -0.406 7.004 1.00 1.89 O ATOM 0 H ASP A 64 16.654 1.400 6.987 1.00 2.02 H new ATOM 0 HA ASP A 64 15.045 2.738 4.992 1.00 2.02 H new ATOM 0 HB2 ASP A 64 14.456 1.924 7.852 1.00 1.53 H new ATOM 0 HB3 ASP A 64 13.272 2.493 6.692 1.00 1.53 H new ATOM 911 N ASP A 65 14.551 4.486 7.555 1.00 2.27 N ATOM 912 CA ASP A 65 14.801 5.669 8.371 1.00 2.65 C ATOM 913 C ASP A 65 14.761 5.309 9.857 1.00 2.35 C ATOM 914 O ASP A 65 15.789 5.039 10.476 1.00 2.28 O ATOM 915 CB ASP A 65 13.779 6.763 8.034 1.00 3.22 C ATOM 916 CG ASP A 65 13.839 7.953 8.971 1.00 3.59 C ATOM 917 OD1 ASP A 65 14.782 8.756 8.839 1.00 4.06 O ATOM 918 OD2 ASP A 65 12.961 8.084 9.845 1.00 3.75 O ATOM 0 H ASP A 65 13.691 3.983 7.775 1.00 2.27 H new ATOM 0 HA ASP A 65 15.797 6.053 8.149 1.00 2.65 H new ATOM 0 HB2 ASP A 65 13.948 7.105 7.013 1.00 3.22 H new ATOM 0 HB3 ASP A 65 12.777 6.336 8.065 1.00 3.22 H new ATOM 923 N ALA A 66 13.549 5.277 10.398 1.00 2.40 N ATOM 924 CA ALA A 66 13.273 4.777 11.742 1.00 2.34 C ATOM 925 C ALA A 66 12.099 3.814 11.662 1.00 2.24 C ATOM 926 O ALA A 66 11.433 3.515 12.653 1.00 2.63 O ATOM 927 CB ALA A 66 12.972 5.930 12.692 1.00 2.98 C ATOM 0 H ALA A 66 12.716 5.603 9.908 1.00 2.40 H new ATOM 0 HA ALA A 66 14.147 4.256 12.133 1.00 2.34 H new ATOM 0 HB1 ALA A 66 12.769 5.537 13.688 1.00 2.98 H new ATOM 0 HB2 ALA A 66 13.831 6.600 12.734 1.00 2.98 H new ATOM 0 HB3 ALA A 66 12.101 6.479 12.334 1.00 2.98 H new ATOM 933 N LYS A 67 11.861 3.342 10.453 1.00 1.96 N ATOM 934 CA LYS A 67 10.603 2.716 10.079 1.00 1.89 C ATOM 935 C LYS A 67 10.849 1.633 9.049 1.00 1.44 C ATOM 936 O LYS A 67 11.738 1.758 8.223 1.00 1.95 O ATOM 937 CB LYS A 67 9.625 3.773 9.551 1.00 2.82 C ATOM 938 CG LYS A 67 10.278 4.919 8.790 1.00 3.45 C ATOM 939 CD LYS A 67 9.236 5.907 8.288 1.00 4.32 C ATOM 940 CE LYS A 67 9.866 7.200 7.791 1.00 5.01 C ATOM 941 NZ LYS A 67 10.435 8.011 8.902 1.00 5.31 N ATOM 0 H LYS A 67 12.541 3.382 9.694 1.00 1.96 H new ATOM 0 HA LYS A 67 10.156 2.252 10.958 1.00 1.89 H new ATOM 0 HB2 LYS A 67 8.902 3.285 8.897 1.00 2.82 H new ATOM 0 HB3 LYS A 67 9.067 4.184 10.392 1.00 2.82 H new ATOM 0 HG2 LYS A 67 10.988 5.432 9.439 1.00 3.45 H new ATOM 0 HG3 LYS A 67 10.845 4.524 7.947 1.00 3.45 H new ATOM 0 HD2 LYS A 67 8.663 5.450 7.481 1.00 4.32 H new ATOM 0 HD3 LYS A 67 8.534 6.132 9.091 1.00 4.32 H new ATOM 0 HE2 LYS A 67 10.653 6.967 7.074 1.00 5.01 H new ATOM 0 HE3 LYS A 67 9.116 7.788 7.261 1.00 5.01 H new ATOM 0 HZ1 LYS A 67 10.510 9.004 8.603 1.00 5.31 H new ATOM 0 HZ2 LYS A 67 9.813 7.945 9.733 1.00 5.31 H new ATOM 0 HZ3 LYS A 67 11.379 7.651 9.147 1.00 5.31 H new ATOM 955 N ILE A 68 10.064 0.578 9.121 1.00 0.88 N ATOM 956 CA ILE A 68 10.321 -0.638 8.377 1.00 0.76 C ATOM 957 C ILE A 68 9.389 -0.725 7.209 1.00 0.43 C ATOM 958 O ILE A 68 8.248 -0.254 7.274 1.00 0.37 O ATOM 959 CB ILE A 68 10.182 -1.916 9.230 1.00 0.97 C ATOM 960 CG1 ILE A 68 8.961 -1.818 10.152 1.00 1.07 C ATOM 961 CG2 ILE A 68 11.454 -2.173 10.027 1.00 1.51 C ATOM 962 CD1 ILE A 68 8.792 -3.011 11.071 1.00 1.66 C ATOM 0 H ILE A 68 9.225 0.540 9.700 1.00 0.88 H new ATOM 0 HA ILE A 68 11.357 -0.583 8.044 1.00 0.76 H new ATOM 0 HB ILE A 68 10.031 -2.763 8.561 1.00 0.97 H new ATOM 0 HG12 ILE A 68 9.045 -0.915 10.756 1.00 1.07 H new ATOM 0 HG13 ILE A 68 8.064 -1.711 9.542 1.00 1.07 H new ATOM 0 HG21 ILE A 68 11.334 -3.079 10.621 1.00 1.51 H new ATOM 0 HG22 ILE A 68 12.293 -2.296 9.343 1.00 1.51 H new ATOM 0 HG23 ILE A 68 11.646 -1.328 10.688 1.00 1.51 H new ATOM 0 HD11 ILE A 68 7.908 -2.869 11.692 1.00 1.66 H new ATOM 0 HD12 ILE A 68 8.675 -3.916 10.475 1.00 1.66 H new ATOM 0 HD13 ILE A 68 9.671 -3.107 11.708 1.00 1.66 H new ATOM 974 N THR A 69 9.862 -1.356 6.162 1.00 0.47 N ATOM 975 CA THR A 69 9.206 -1.272 4.895 1.00 0.38 C ATOM 976 C THR A 69 8.509 -2.578 4.524 1.00 0.34 C ATOM 977 O THR A 69 9.066 -3.670 4.664 1.00 0.46 O ATOM 978 CB THR A 69 10.229 -0.920 3.805 1.00 0.55 C ATOM 979 OG1 THR A 69 10.848 0.339 4.104 1.00 1.50 O ATOM 980 CG2 THR A 69 9.556 -0.846 2.453 1.00 1.23 C ATOM 0 H THR A 69 10.703 -1.934 6.170 1.00 0.47 H new ATOM 0 HA THR A 69 8.447 -0.494 4.970 1.00 0.38 H new ATOM 0 HB THR A 69 10.990 -1.700 3.778 1.00 0.55 H new ATOM 0 HG1 THR A 69 11.739 0.184 4.481 1.00 1.50 H new ATOM 0 HG21 THR A 69 10.295 -0.596 1.692 1.00 1.23 H new ATOM 0 HG22 THR A 69 9.105 -1.810 2.218 1.00 1.23 H new ATOM 0 HG23 THR A 69 8.782 -0.079 2.473 1.00 1.23 H new ATOM 988 N VAL A 70 7.276 -2.440 4.064 1.00 0.27 N ATOM 989 CA VAL A 70 6.510 -3.534 3.496 1.00 0.28 C ATOM 990 C VAL A 70 6.050 -3.121 2.104 1.00 0.26 C ATOM 991 O VAL A 70 6.101 -1.930 1.778 1.00 0.29 O ATOM 992 CB VAL A 70 5.272 -3.885 4.352 1.00 0.33 C ATOM 993 CG1 VAL A 70 5.690 -4.427 5.706 1.00 0.98 C ATOM 994 CG2 VAL A 70 4.367 -2.674 4.520 1.00 1.06 C ATOM 0 H VAL A 70 6.774 -1.552 4.075 1.00 0.27 H new ATOM 0 HA VAL A 70 7.147 -4.418 3.461 1.00 0.28 H new ATOM 0 HB VAL A 70 4.712 -4.660 3.829 1.00 0.33 H new ATOM 0 HG11 VAL A 70 4.803 -4.667 6.291 1.00 0.98 H new ATOM 0 HG12 VAL A 70 6.289 -5.327 5.568 1.00 0.98 H new ATOM 0 HG13 VAL A 70 6.279 -3.676 6.232 1.00 0.98 H new ATOM 0 HG21 VAL A 70 3.503 -2.947 5.126 1.00 1.06 H new ATOM 0 HG22 VAL A 70 4.918 -1.874 5.013 1.00 1.06 H new ATOM 0 HG23 VAL A 70 4.030 -2.333 3.541 1.00 1.06 H new ATOM 1004 N ILE A 71 5.624 -4.085 1.292 1.00 0.25 N ATOM 1005 CA ILE A 71 5.124 -3.789 -0.047 1.00 0.28 C ATOM 1006 C ILE A 71 3.620 -3.870 -0.100 1.00 0.28 C ATOM 1007 O ILE A 71 3.027 -4.797 0.442 1.00 0.33 O ATOM 1008 CB ILE A 71 5.636 -4.754 -1.133 1.00 0.39 C ATOM 1009 CG1 ILE A 71 5.698 -6.185 -0.621 1.00 1.29 C ATOM 1010 CG2 ILE A 71 6.976 -4.312 -1.688 1.00 1.34 C ATOM 1011 CD1 ILE A 71 5.831 -7.205 -1.725 1.00 2.12 C ATOM 0 H ILE A 71 5.615 -5.075 1.537 1.00 0.25 H new ATOM 0 HA ILE A 71 5.492 -2.783 -0.249 1.00 0.28 H new ATOM 0 HB ILE A 71 4.918 -4.726 -1.952 1.00 0.39 H new ATOM 0 HG12 ILE A 71 6.543 -6.284 0.060 1.00 1.29 H new ATOM 0 HG13 ILE A 71 4.797 -6.398 -0.045 1.00 1.29 H new ATOM 0 HG21 ILE A 71 7.304 -5.018 -2.451 1.00 1.34 H new ATOM 0 HG22 ILE A 71 6.878 -3.320 -2.129 1.00 1.34 H new ATOM 0 HG23 ILE A 71 7.711 -4.280 -0.883 1.00 1.34 H new ATOM 0 HD11 ILE A 71 5.870 -8.205 -1.294 1.00 2.12 H new ATOM 0 HD12 ILE A 71 4.973 -7.131 -2.394 1.00 2.12 H new ATOM 0 HD13 ILE A 71 6.746 -7.016 -2.286 1.00 2.12 H new ATOM 1023 N LEU A 72 3.000 -2.893 -0.724 1.00 0.28 N ATOM 1024 CA LEU A 72 1.601 -3.031 -1.081 1.00 0.29 C ATOM 1025 C LEU A 72 1.491 -3.291 -2.587 1.00 0.27 C ATOM 1026 O LEU A 72 1.798 -2.421 -3.400 1.00 0.30 O ATOM 1027 CB LEU A 72 0.833 -1.768 -0.690 1.00 0.33 C ATOM 1028 CG LEU A 72 -0.670 -1.953 -0.489 1.00 0.37 C ATOM 1029 CD1 LEU A 72 -0.931 -2.887 0.682 1.00 0.79 C ATOM 1030 CD2 LEU A 72 -1.351 -0.609 -0.271 1.00 0.88 C ATOM 0 H LEU A 72 3.431 -2.008 -0.992 1.00 0.28 H new ATOM 0 HA LEU A 72 1.164 -3.872 -0.543 1.00 0.29 H new ATOM 0 HB2 LEU A 72 1.260 -1.374 0.232 1.00 0.33 H new ATOM 0 HB3 LEU A 72 0.989 -1.014 -1.462 1.00 0.33 H new ATOM 0 HG LEU A 72 -1.090 -2.402 -1.389 1.00 0.37 H new ATOM 0 HD11 LEU A 72 -2.006 -3.011 0.816 1.00 0.79 H new ATOM 0 HD12 LEU A 72 -0.476 -3.857 0.482 1.00 0.79 H new ATOM 0 HD13 LEU A 72 -0.499 -2.463 1.589 1.00 0.79 H new ATOM 0 HD21 LEU A 72 -2.421 -0.762 -0.130 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -0.933 -0.129 0.614 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -1.187 0.027 -1.141 1.00 0.88 H new ATOM 1042 N ARG A 73 1.045 -4.487 -2.950 1.00 0.24 N ATOM 1043 CA ARG A 73 0.877 -4.862 -4.356 1.00 0.24 C ATOM 1044 C ARG A 73 -0.446 -5.584 -4.529 1.00 0.21 C ATOM 1045 O ARG A 73 -0.890 -6.239 -3.604 1.00 0.24 O ATOM 1046 CB ARG A 73 1.983 -5.812 -4.809 1.00 0.28 C ATOM 1047 CG ARG A 73 1.770 -7.239 -4.318 1.00 0.43 C ATOM 1048 CD ARG A 73 2.304 -8.247 -5.324 1.00 0.58 C ATOM 1049 NE ARG A 73 1.923 -9.611 -4.983 1.00 0.91 N ATOM 1050 CZ ARG A 73 2.530 -10.703 -5.437 1.00 1.04 C ATOM 1051 NH1 ARG A 73 3.537 -10.608 -6.302 1.00 1.27 N ATOM 1052 NH2 ARG A 73 2.108 -11.894 -5.042 1.00 1.67 N ATOM 0 H ARG A 73 0.791 -5.221 -2.289 1.00 0.24 H new ATOM 0 HA ARG A 73 0.913 -3.949 -4.951 1.00 0.24 H new ATOM 0 HB2 ARG A 73 2.034 -5.811 -5.898 1.00 0.28 H new ATOM 0 HB3 ARG A 73 2.943 -5.446 -4.444 1.00 0.28 H new ATOM 0 HG2 ARG A 73 2.271 -7.376 -3.360 1.00 0.43 H new ATOM 0 HG3 ARG A 73 0.707 -7.415 -4.151 1.00 0.43 H new ATOM 0 HD2 ARG A 73 1.927 -8.003 -6.317 1.00 0.58 H new ATOM 0 HD3 ARG A 73 3.391 -8.174 -5.369 1.00 0.58 H new ATOM 0 HE ARG A 73 1.133 -9.737 -4.350 1.00 0.91 H new ATOM 0 HH11 ARG A 73 3.849 -9.691 -6.622 1.00 1.27 H new ATOM 0 HH12 ARG A 73 3.996 -11.452 -6.645 1.00 1.27 H new ATOM 0 HH21 ARG A 73 1.323 -11.968 -4.395 1.00 1.67 H new ATOM 0 HH22 ARG A 73 2.568 -12.738 -5.385 1.00 1.67 H new ATOM 1066 N ILE A 74 -1.073 -5.489 -5.690 1.00 0.22 N ATOM 1067 CA ILE A 74 -2.249 -6.301 -5.945 1.00 0.24 C ATOM 1068 C ILE A 74 -1.823 -7.678 -6.446 1.00 0.27 C ATOM 1069 O ILE A 74 -0.993 -7.792 -7.326 1.00 0.30 O ATOM 1070 CB ILE A 74 -3.242 -5.651 -6.935 1.00 0.31 C ATOM 1071 CG1 ILE A 74 -2.708 -5.658 -8.366 1.00 1.14 C ATOM 1072 CG2 ILE A 74 -3.554 -4.231 -6.500 1.00 1.30 C ATOM 1073 CD1 ILE A 74 -3.751 -5.266 -9.388 1.00 1.81 C ATOM 0 H ILE A 74 -0.795 -4.873 -6.454 1.00 0.22 H new ATOM 0 HA ILE A 74 -2.782 -6.394 -4.999 1.00 0.24 H new ATOM 0 HB ILE A 74 -4.156 -6.244 -6.924 1.00 0.31 H new ATOM 0 HG12 ILE A 74 -1.863 -4.973 -8.436 1.00 1.14 H new ATOM 0 HG13 ILE A 74 -2.332 -6.653 -8.603 1.00 1.14 H new ATOM 0 HG21 ILE A 74 -4.254 -3.781 -7.203 1.00 1.30 H new ATOM 0 HG22 ILE A 74 -3.998 -4.245 -5.504 1.00 1.30 H new ATOM 0 HG23 ILE A 74 -2.634 -3.646 -6.479 1.00 1.30 H new ATOM 0 HD11 ILE A 74 -3.311 -5.290 -10.385 1.00 1.81 H new ATOM 0 HD12 ILE A 74 -4.585 -5.966 -9.343 1.00 1.81 H new ATOM 0 HD13 ILE A 74 -4.110 -4.259 -9.174 1.00 1.81 H new ATOM 1085 N SER A 75 -2.346 -8.711 -5.812 1.00 0.30 N ATOM 1086 CA SER A 75 -2.048 -10.106 -6.153 1.00 0.38 C ATOM 1087 C SER A 75 -2.174 -10.417 -7.653 1.00 0.44 C ATOM 1088 O SER A 75 -1.578 -11.381 -8.140 1.00 0.50 O ATOM 1089 CB SER A 75 -2.966 -11.028 -5.355 1.00 0.47 C ATOM 1090 OG SER A 75 -4.308 -10.574 -5.407 1.00 1.16 O ATOM 0 H SER A 75 -2.999 -8.613 -5.035 1.00 0.30 H new ATOM 0 HA SER A 75 -1.003 -10.277 -5.893 1.00 0.38 H new ATOM 0 HB2 SER A 75 -2.905 -12.041 -5.752 1.00 0.47 H new ATOM 0 HB3 SER A 75 -2.632 -11.071 -4.318 1.00 0.47 H new ATOM 0 HG SER A 75 -4.663 -10.705 -6.311 1.00 1.16 H new ATOM 1096 N LYS A 76 -2.962 -9.624 -8.377 1.00 0.45 N ATOM 1097 CA LYS A 76 -3.299 -9.950 -9.761 1.00 0.54 C ATOM 1098 C LYS A 76 -2.190 -9.557 -10.744 1.00 0.55 C ATOM 1099 O LYS A 76 -1.698 -10.391 -11.507 1.00 0.61 O ATOM 1100 CB LYS A 76 -4.589 -9.223 -10.135 1.00 0.60 C ATOM 1101 CG LYS A 76 -5.812 -9.739 -9.393 1.00 1.21 C ATOM 1102 CD LYS A 76 -7.086 -9.067 -9.880 1.00 1.70 C ATOM 1103 CE LYS A 76 -8.321 -9.668 -9.225 1.00 2.16 C ATOM 1104 NZ LYS A 76 -9.576 -9.094 -9.777 1.00 2.51 N ATOM 0 H LYS A 76 -3.376 -8.758 -8.032 1.00 0.45 H new ATOM 0 HA LYS A 76 -3.423 -11.031 -9.830 1.00 0.54 H new ATOM 0 HB2 LYS A 76 -4.470 -8.159 -9.929 1.00 0.60 H new ATOM 0 HB3 LYS A 76 -4.755 -9.323 -11.208 1.00 0.60 H new ATOM 0 HG2 LYS A 76 -5.893 -10.817 -9.530 1.00 1.21 H new ATOM 0 HG3 LYS A 76 -5.692 -9.562 -8.324 1.00 1.21 H new ATOM 0 HD2 LYS A 76 -7.041 -8.000 -9.663 1.00 1.70 H new ATOM 0 HD3 LYS A 76 -7.161 -9.169 -10.963 1.00 1.70 H new ATOM 0 HE2 LYS A 76 -8.321 -10.748 -9.372 1.00 2.16 H new ATOM 0 HE3 LYS A 76 -8.284 -9.492 -8.150 1.00 2.16 H new ATOM 0 HZ1 LYS A 76 -10.394 -9.529 -9.305 1.00 2.51 H new ATOM 0 HZ2 LYS A 76 -9.589 -8.067 -9.615 1.00 2.51 H new ATOM 0 HZ3 LYS A 76 -9.625 -9.284 -10.798 1.00 2.51 H new ATOM 1118 N THR A 77 -1.807 -8.296 -10.724 1.00 0.51 N ATOM 1119 CA THR A 77 -0.710 -7.801 -11.543 1.00 0.53 C ATOM 1120 C THR A 77 0.437 -7.401 -10.637 1.00 0.47 C ATOM 1121 O THR A 77 0.281 -7.381 -9.429 1.00 0.46 O ATOM 1122 CB THR A 77 -1.134 -6.603 -12.418 1.00 0.62 C ATOM 1123 OG1 THR A 77 -1.706 -5.573 -11.608 1.00 1.45 O ATOM 1124 CG2 THR A 77 -2.136 -7.033 -13.480 1.00 1.29 C ATOM 0 H THR A 77 -2.245 -7.583 -10.141 1.00 0.51 H new ATOM 0 HA THR A 77 -0.401 -8.599 -12.219 1.00 0.53 H new ATOM 0 HB THR A 77 -0.243 -6.218 -12.914 1.00 0.62 H new ATOM 0 HG1 THR A 77 -1.969 -4.819 -12.176 1.00 1.45 H new ATOM 0 HG21 THR A 77 -2.419 -6.171 -14.084 1.00 1.29 H new ATOM 0 HG22 THR A 77 -1.685 -7.791 -14.120 1.00 1.29 H new ATOM 0 HG23 THR A 77 -3.022 -7.445 -12.998 1.00 1.29 H new ATOM 1132 N GLN A 78 1.584 -7.061 -11.182 1.00 0.50 N ATOM 1133 CA GLN A 78 2.664 -6.632 -10.319 1.00 0.49 C ATOM 1134 C GLN A 78 2.670 -5.119 -10.289 1.00 0.46 C ATOM 1135 O GLN A 78 3.505 -4.443 -10.896 1.00 0.48 O ATOM 1136 CB GLN A 78 3.999 -7.191 -10.802 1.00 0.59 C ATOM 1137 CG GLN A 78 4.045 -8.711 -10.786 1.00 1.49 C ATOM 1138 CD GLN A 78 3.758 -9.286 -9.410 1.00 2.14 C ATOM 1139 OE1 GLN A 78 4.081 -8.679 -8.385 1.00 2.69 O ATOM 1140 NE2 GLN A 78 3.151 -10.460 -9.376 1.00 2.90 N ATOM 0 H GLN A 78 1.791 -7.071 -12.181 1.00 0.50 H new ATOM 0 HA GLN A 78 2.514 -7.013 -9.309 1.00 0.49 H new ATOM 0 HB2 GLN A 78 4.190 -6.837 -11.815 1.00 0.59 H new ATOM 0 HB3 GLN A 78 4.799 -6.802 -10.173 1.00 0.59 H new ATOM 0 HG2 GLN A 78 3.318 -9.101 -11.498 1.00 1.49 H new ATOM 0 HG3 GLN A 78 5.028 -9.045 -11.118 1.00 1.49 H new ATOM 0 HE21 GLN A 78 2.900 -10.930 -10.246 1.00 2.90 H new ATOM 0 HE22 GLN A 78 2.933 -10.896 -8.480 1.00 2.90 H new ATOM 1149 N LEU A 79 1.675 -4.622 -9.571 1.00 0.46 N ATOM 1150 CA LEU A 79 1.435 -3.208 -9.397 1.00 0.45 C ATOM 1151 C LEU A 79 1.993 -2.761 -8.054 1.00 0.42 C ATOM 1152 O LEU A 79 1.608 -3.292 -7.012 1.00 0.54 O ATOM 1153 CB LEU A 79 -0.076 -2.939 -9.492 1.00 0.59 C ATOM 1154 CG LEU A 79 -0.496 -1.484 -9.738 1.00 0.95 C ATOM 1155 CD1 LEU A 79 -0.321 -0.642 -8.485 1.00 1.95 C ATOM 1156 CD2 LEU A 79 0.296 -0.894 -10.896 1.00 1.61 C ATOM 0 H LEU A 79 0.999 -5.210 -9.083 1.00 0.46 H new ATOM 0 HA LEU A 79 1.937 -2.639 -10.179 1.00 0.45 H new ATOM 0 HB2 LEU A 79 -0.482 -3.552 -10.296 1.00 0.59 H new ATOM 0 HB3 LEU A 79 -0.542 -3.277 -8.567 1.00 0.59 H new ATOM 0 HG LEU A 79 -1.554 -1.476 -9.999 1.00 0.95 H new ATOM 0 HD11 LEU A 79 -0.627 0.384 -8.690 1.00 1.95 H new ATOM 0 HD12 LEU A 79 -0.936 -1.050 -7.683 1.00 1.95 H new ATOM 0 HD13 LEU A 79 0.726 -0.655 -8.181 1.00 1.95 H new ATOM 0 HD21 LEU A 79 -0.013 0.139 -11.059 1.00 1.61 H new ATOM 0 HD22 LEU A 79 1.360 -0.922 -10.661 1.00 1.61 H new ATOM 0 HD23 LEU A 79 0.109 -1.476 -11.799 1.00 1.61 H new ATOM 1168 N TYR A 80 2.887 -1.793 -8.079 1.00 0.34 N ATOM 1169 CA TYR A 80 3.500 -1.291 -6.866 1.00 0.38 C ATOM 1170 C TYR A 80 2.900 0.061 -6.519 1.00 0.34 C ATOM 1171 O TYR A 80 2.531 0.832 -7.399 1.00 0.45 O ATOM 1172 CB TYR A 80 5.022 -1.173 -7.038 1.00 0.60 C ATOM 1173 CG TYR A 80 5.810 -2.371 -6.547 1.00 1.27 C ATOM 1174 CD1 TYR A 80 5.288 -3.660 -6.599 1.00 2.27 C ATOM 1175 CD2 TYR A 80 7.084 -2.203 -6.014 1.00 1.56 C ATOM 1176 CE1 TYR A 80 6.011 -4.742 -6.128 1.00 3.30 C ATOM 1177 CE2 TYR A 80 7.811 -3.279 -5.547 1.00 2.49 C ATOM 1178 CZ TYR A 80 7.272 -4.546 -5.605 1.00 3.33 C ATOM 1179 OH TYR A 80 7.992 -5.613 -5.124 1.00 4.39 O ATOM 0 H TYR A 80 3.207 -1.336 -8.933 1.00 0.34 H new ATOM 0 HA TYR A 80 3.305 -1.990 -6.053 1.00 0.38 H new ATOM 0 HB2 TYR A 80 5.244 -1.018 -8.094 1.00 0.60 H new ATOM 0 HB3 TYR A 80 5.366 -0.286 -6.506 1.00 0.60 H new ATOM 0 HD1 TYR A 80 4.303 -3.818 -7.013 1.00 2.27 H new ATOM 0 HD2 TYR A 80 7.512 -1.213 -5.965 1.00 1.56 H new ATOM 0 HE1 TYR A 80 5.590 -5.736 -6.170 1.00 3.30 H new ATOM 0 HE2 TYR A 80 8.799 -3.129 -5.137 1.00 2.49 H new ATOM 0 HH TYR A 80 8.173 -6.241 -5.854 1.00 4.39 H new ATOM 1189 N VAL A 81 2.789 0.336 -5.242 1.00 0.32 N ATOM 1190 CA VAL A 81 2.261 1.608 -4.780 1.00 0.32 C ATOM 1191 C VAL A 81 3.383 2.622 -4.664 1.00 0.32 C ATOM 1192 O VAL A 81 4.310 2.422 -3.892 1.00 0.36 O ATOM 1193 CB VAL A 81 1.575 1.472 -3.409 1.00 0.36 C ATOM 1194 CG1 VAL A 81 1.015 2.805 -2.950 1.00 0.46 C ATOM 1195 CG2 VAL A 81 0.476 0.424 -3.465 1.00 0.38 C ATOM 0 H VAL A 81 3.058 -0.305 -4.496 1.00 0.32 H new ATOM 0 HA VAL A 81 1.522 1.940 -5.509 1.00 0.32 H new ATOM 0 HB VAL A 81 2.324 1.151 -2.685 1.00 0.36 H new ATOM 0 HG11 VAL A 81 0.535 2.683 -1.979 1.00 0.46 H new ATOM 0 HG12 VAL A 81 1.824 3.530 -2.866 1.00 0.46 H new ATOM 0 HG13 VAL A 81 0.282 3.161 -3.674 1.00 0.46 H new ATOM 0 HG21 VAL A 81 0.002 0.341 -2.487 1.00 0.38 H new ATOM 0 HG22 VAL A 81 -0.268 0.717 -4.205 1.00 0.38 H new ATOM 0 HG23 VAL A 81 0.905 -0.539 -3.743 1.00 0.38 H new ATOM 1205 N THR A 82 3.318 3.700 -5.424 1.00 0.32 N ATOM 1206 CA THR A 82 4.356 4.702 -5.329 1.00 0.32 C ATOM 1207 C THR A 82 3.897 5.835 -4.448 1.00 0.31 C ATOM 1208 O THR A 82 2.715 6.190 -4.404 1.00 0.32 O ATOM 1209 CB THR A 82 4.784 5.290 -6.695 1.00 0.32 C ATOM 1210 OG1 THR A 82 6.136 5.741 -6.633 1.00 1.22 O ATOM 1211 CG2 THR A 82 3.936 6.475 -7.090 1.00 1.37 C ATOM 0 H THR A 82 2.577 3.899 -6.096 1.00 0.32 H new ATOM 0 HA THR A 82 5.222 4.192 -4.907 1.00 0.32 H new ATOM 0 HB THR A 82 4.663 4.493 -7.429 1.00 0.32 H new ATOM 0 HG1 THR A 82 6.170 6.700 -6.830 1.00 1.22 H new ATOM 0 HG21 THR A 82 4.271 6.856 -8.055 1.00 1.37 H new ATOM 0 HG22 THR A 82 2.893 6.168 -7.163 1.00 1.37 H new ATOM 0 HG23 THR A 82 4.031 7.258 -6.337 1.00 1.37 H new ATOM 1219 N ALA A 83 4.836 6.371 -3.726 1.00 0.33 N ATOM 1220 CA ALA A 83 4.583 7.540 -2.919 1.00 0.32 C ATOM 1221 C ALA A 83 5.093 8.784 -3.637 1.00 0.27 C ATOM 1222 O ALA A 83 6.273 8.881 -3.979 1.00 0.31 O ATOM 1223 CB ALA A 83 5.219 7.387 -1.547 1.00 0.41 C ATOM 0 H ALA A 83 5.792 6.019 -3.676 1.00 0.33 H new ATOM 0 HA ALA A 83 3.509 7.650 -2.771 1.00 0.32 H new ATOM 0 HB1 ALA A 83 5.018 8.278 -0.952 1.00 0.41 H new ATOM 0 HB2 ALA A 83 4.800 6.514 -1.047 1.00 0.41 H new ATOM 0 HB3 ALA A 83 6.296 7.259 -1.657 1.00 0.41 H new ATOM 1229 N GLN A 84 4.186 9.721 -3.882 1.00 0.25 N ATOM 1230 CA GLN A 84 4.509 10.940 -4.612 1.00 0.26 C ATOM 1231 C GLN A 84 5.033 11.983 -3.632 1.00 0.25 C ATOM 1232 O GLN A 84 6.130 11.831 -3.105 1.00 0.28 O ATOM 1233 CB GLN A 84 3.294 11.461 -5.391 1.00 0.33 C ATOM 1234 CG GLN A 84 3.642 12.084 -6.739 1.00 0.77 C ATOM 1235 CD GLN A 84 4.473 13.354 -6.629 1.00 1.32 C ATOM 1236 OE1 GLN A 84 3.934 14.454 -6.547 1.00 2.05 O ATOM 1237 NE2 GLN A 84 5.789 13.213 -6.626 1.00 2.02 N ATOM 0 H GLN A 84 3.213 9.659 -3.583 1.00 0.25 H new ATOM 0 HA GLN A 84 5.283 10.723 -5.348 1.00 0.26 H new ATOM 0 HB2 GLN A 84 2.598 10.638 -5.552 1.00 0.33 H new ATOM 0 HB3 GLN A 84 2.776 12.202 -4.783 1.00 0.33 H new ATOM 0 HG2 GLN A 84 4.188 11.354 -7.337 1.00 0.77 H new ATOM 0 HG3 GLN A 84 2.720 12.309 -7.274 1.00 0.77 H new ATOM 0 HE21 GLN A 84 6.202 12.283 -6.696 1.00 2.02 H new ATOM 0 HE22 GLN A 84 6.390 14.034 -6.554 1.00 2.02 H new ATOM 1246 N ASP A 85 4.300 13.061 -3.423 1.00 0.24 N ATOM 1247 CA ASP A 85 4.681 14.012 -2.378 1.00 0.28 C ATOM 1248 C ASP A 85 3.448 14.594 -1.691 1.00 0.26 C ATOM 1249 O ASP A 85 2.772 15.458 -2.243 1.00 0.27 O ATOM 1250 CB ASP A 85 5.539 15.134 -2.971 1.00 0.34 C ATOM 1251 CG ASP A 85 6.190 15.996 -1.907 1.00 0.44 C ATOM 1252 OD1 ASP A 85 5.566 16.991 -1.479 1.00 0.56 O ATOM 1253 OD2 ASP A 85 7.322 15.680 -1.486 1.00 0.53 O ATOM 0 H ASP A 85 3.457 13.303 -3.944 1.00 0.24 H new ATOM 0 HA ASP A 85 5.265 13.478 -1.629 1.00 0.28 H new ATOM 0 HB2 ASP A 85 6.312 14.699 -3.604 1.00 0.34 H new ATOM 0 HB3 ASP A 85 4.918 15.761 -3.611 1.00 0.34 H new ATOM 1258 N GLU A 86 3.180 14.110 -0.472 1.00 0.27 N ATOM 1259 CA GLU A 86 2.040 14.550 0.331 1.00 0.29 C ATOM 1260 C GLU A 86 0.769 14.505 -0.515 1.00 0.22 C ATOM 1261 O GLU A 86 0.583 13.523 -1.207 1.00 0.19 O ATOM 1262 CB GLU A 86 2.329 15.911 0.958 1.00 0.40 C ATOM 1263 CG GLU A 86 1.241 16.431 1.890 1.00 0.51 C ATOM 1264 CD GLU A 86 1.540 17.813 2.428 1.00 0.78 C ATOM 1265 OE1 GLU A 86 2.354 17.925 3.362 1.00 1.04 O ATOM 1266 OE2 GLU A 86 0.950 18.792 1.924 1.00 1.62 O ATOM 0 H GLU A 86 3.752 13.399 -0.016 1.00 0.27 H new ATOM 0 HA GLU A 86 1.874 13.871 1.168 1.00 0.29 H new ATOM 0 HB2 GLU A 86 3.264 15.847 1.514 1.00 0.40 H new ATOM 0 HB3 GLU A 86 2.482 16.638 0.160 1.00 0.40 H new ATOM 0 HG2 GLU A 86 0.291 16.452 1.356 1.00 0.51 H new ATOM 0 HG3 GLU A 86 1.123 15.739 2.724 1.00 0.51 H new ATOM 1273 N ASP A 87 -0.083 15.535 -0.509 1.00 0.22 N ATOM 1274 CA ASP A 87 -1.314 15.472 -1.284 1.00 0.20 C ATOM 1275 C ASP A 87 -1.005 15.584 -2.760 1.00 0.23 C ATOM 1276 O ASP A 87 -1.165 16.626 -3.399 1.00 0.30 O ATOM 1277 CB ASP A 87 -2.341 16.519 -0.856 1.00 0.28 C ATOM 1278 CG ASP A 87 -3.711 16.235 -1.458 1.00 0.33 C ATOM 1279 OD1 ASP A 87 -4.318 15.196 -1.112 1.00 0.56 O ATOM 1280 OD2 ASP A 87 -4.186 17.046 -2.280 1.00 0.61 O ATOM 0 H ASP A 87 0.056 16.401 0.012 1.00 0.22 H new ATOM 0 HA ASP A 87 -1.770 14.502 -1.086 1.00 0.20 H new ATOM 0 HB2 ASP A 87 -2.416 16.534 0.231 1.00 0.28 H new ATOM 0 HB3 ASP A 87 -2.004 17.508 -1.166 1.00 0.28 H new ATOM 1285 N GLN A 88 -0.544 14.466 -3.256 1.00 0.19 N ATOM 1286 CA GLN A 88 -0.329 14.202 -4.654 1.00 0.24 C ATOM 1287 C GLN A 88 -0.573 12.723 -4.789 1.00 0.21 C ATOM 1288 O GLN A 88 0.089 11.936 -4.113 1.00 0.19 O ATOM 1289 CB GLN A 88 1.103 14.547 -5.089 1.00 0.32 C ATOM 1290 CG GLN A 88 1.464 16.026 -5.001 1.00 1.03 C ATOM 1291 CD GLN A 88 0.772 16.881 -6.047 1.00 1.28 C ATOM 1292 OE1 GLN A 88 -0.338 16.586 -6.484 1.00 1.89 O ATOM 1293 NE2 GLN A 88 1.440 17.942 -6.470 1.00 1.93 N ATOM 0 H GLN A 88 -0.295 13.673 -2.664 1.00 0.19 H new ATOM 0 HA GLN A 88 -0.982 14.806 -5.284 1.00 0.24 H new ATOM 0 HB2 GLN A 88 1.801 13.981 -4.472 1.00 0.32 H new ATOM 0 HB3 GLN A 88 1.245 14.214 -6.117 1.00 0.32 H new ATOM 0 HG2 GLN A 88 1.204 16.397 -4.010 1.00 1.03 H new ATOM 0 HG3 GLN A 88 2.543 16.136 -5.109 1.00 1.03 H new ATOM 0 HE21 GLN A 88 2.360 18.154 -6.083 1.00 1.93 H new ATOM 0 HE22 GLN A 88 1.035 18.548 -7.184 1.00 1.93 H new ATOM 1302 N PRO A 89 -1.520 12.316 -5.631 1.00 0.24 N ATOM 1303 CA PRO A 89 -2.084 10.976 -5.546 1.00 0.24 C ATOM 1304 C PRO A 89 -1.038 9.893 -5.727 1.00 0.21 C ATOM 1305 O PRO A 89 -0.042 10.075 -6.432 1.00 0.22 O ATOM 1306 CB PRO A 89 -3.094 10.935 -6.701 1.00 0.33 C ATOM 1307 CG PRO A 89 -3.377 12.362 -7.023 1.00 0.58 C ATOM 1308 CD PRO A 89 -2.111 13.109 -6.717 1.00 0.33 C ATOM 0 HA PRO A 89 -2.525 10.787 -4.567 1.00 0.24 H new ATOM 0 HB2 PRO A 89 -2.684 10.410 -7.564 1.00 0.33 H new ATOM 0 HB3 PRO A 89 -4.003 10.409 -6.410 1.00 0.33 H new ATOM 0 HG2 PRO A 89 -3.657 12.479 -8.070 1.00 0.58 H new ATOM 0 HG3 PRO A 89 -4.208 12.740 -6.427 1.00 0.58 H new ATOM 0 HD2 PRO A 89 -1.453 13.161 -7.584 1.00 0.33 H new ATOM 0 HD3 PRO A 89 -2.311 14.134 -6.406 1.00 0.33 H new ATOM 1316 N VAL A 90 -1.276 8.775 -5.064 1.00 0.23 N ATOM 1317 CA VAL A 90 -0.450 7.602 -5.218 1.00 0.24 C ATOM 1318 C VAL A 90 -0.469 7.143 -6.665 1.00 0.24 C ATOM 1319 O VAL A 90 -1.531 6.934 -7.253 1.00 0.28 O ATOM 1320 CB VAL A 90 -0.959 6.463 -4.313 1.00 0.36 C ATOM 1321 CG1 VAL A 90 -0.342 5.135 -4.712 1.00 1.31 C ATOM 1322 CG2 VAL A 90 -0.670 6.780 -2.854 1.00 1.10 C ATOM 0 H VAL A 90 -2.047 8.660 -4.406 1.00 0.23 H new ATOM 0 HA VAL A 90 0.570 7.856 -4.929 1.00 0.24 H new ATOM 0 HB VAL A 90 -2.038 6.379 -4.440 1.00 0.36 H new ATOM 0 HG11 VAL A 90 -0.718 4.348 -4.058 1.00 1.31 H new ATOM 0 HG12 VAL A 90 -0.607 4.906 -5.744 1.00 1.31 H new ATOM 0 HG13 VAL A 90 0.742 5.196 -4.621 1.00 1.31 H new ATOM 0 HG21 VAL A 90 -1.035 5.967 -2.226 1.00 1.10 H new ATOM 0 HG22 VAL A 90 0.405 6.894 -2.712 1.00 1.10 H new ATOM 0 HG23 VAL A 90 -1.173 7.707 -2.577 1.00 1.10 H new ATOM 1332 N LEU A 91 0.715 6.993 -7.233 1.00 0.22 N ATOM 1333 CA LEU A 91 0.842 6.669 -8.633 1.00 0.24 C ATOM 1334 C LEU A 91 1.094 5.180 -8.739 1.00 0.26 C ATOM 1335 O LEU A 91 1.763 4.608 -7.877 1.00 0.33 O ATOM 1336 CB LEU A 91 1.970 7.477 -9.286 1.00 0.30 C ATOM 1337 CG LEU A 91 1.944 8.990 -9.018 1.00 0.31 C ATOM 1338 CD1 LEU A 91 3.134 9.664 -9.680 1.00 0.42 C ATOM 1339 CD2 LEU A 91 0.641 9.598 -9.521 1.00 0.34 C ATOM 0 H LEU A 91 1.602 7.092 -6.739 1.00 0.22 H new ATOM 0 HA LEU A 91 -0.072 6.930 -9.166 1.00 0.24 H new ATOM 0 HB2 LEU A 91 2.924 7.081 -8.939 1.00 0.30 H new ATOM 0 HB3 LEU A 91 1.931 7.316 -10.363 1.00 0.30 H new ATOM 0 HG LEU A 91 2.007 9.152 -7.942 1.00 0.31 H new ATOM 0 HD11 LEU A 91 3.102 10.735 -9.482 1.00 0.42 H new ATOM 0 HD12 LEU A 91 4.058 9.248 -9.278 1.00 0.42 H new ATOM 0 HD13 LEU A 91 3.097 9.493 -10.756 1.00 0.42 H new ATOM 0 HD21 LEU A 91 0.639 10.670 -9.323 1.00 0.34 H new ATOM 0 HD22 LEU A 91 0.550 9.427 -10.594 1.00 0.34 H new ATOM 0 HD23 LEU A 91 -0.200 9.133 -9.007 1.00 0.34 H new ATOM 1351 N LEU A 92 0.562 4.527 -9.748 1.00 0.27 N ATOM 1352 CA LEU A 92 0.645 3.084 -9.779 1.00 0.28 C ATOM 1353 C LEU A 92 1.869 2.676 -10.584 1.00 0.29 C ATOM 1354 O LEU A 92 1.900 2.721 -11.814 1.00 0.31 O ATOM 1355 CB LEU A 92 -0.637 2.477 -10.360 1.00 0.32 C ATOM 1356 CG LEU A 92 -1.925 2.816 -9.593 1.00 0.76 C ATOM 1357 CD1 LEU A 92 -3.094 1.995 -10.116 1.00 1.15 C ATOM 1358 CD2 LEU A 92 -1.743 2.595 -8.097 1.00 1.30 C ATOM 0 H LEU A 92 0.080 4.957 -10.538 1.00 0.27 H new ATOM 0 HA LEU A 92 0.747 2.702 -8.763 1.00 0.28 H new ATOM 0 HB2 LEU A 92 -0.746 2.816 -11.390 1.00 0.32 H new ATOM 0 HB3 LEU A 92 -0.526 1.393 -10.391 1.00 0.32 H new ATOM 0 HG LEU A 92 -2.145 3.871 -9.755 1.00 0.76 H new ATOM 0 HD11 LEU A 92 -3.996 2.250 -9.560 1.00 1.15 H new ATOM 0 HD12 LEU A 92 -3.247 2.212 -11.173 1.00 1.15 H new ATOM 0 HD13 LEU A 92 -2.878 0.934 -9.990 1.00 1.15 H new ATOM 0 HD21 LEU A 92 -2.669 2.842 -7.577 1.00 1.30 H new ATOM 0 HD22 LEU A 92 -1.490 1.551 -7.912 1.00 1.30 H new ATOM 0 HD23 LEU A 92 -0.939 3.234 -7.730 1.00 1.30 H new ATOM 1370 N LYS A 93 2.889 2.321 -9.808 1.00 0.31 N ATOM 1371 CA LYS A 93 4.241 2.082 -10.268 1.00 0.37 C ATOM 1372 C LYS A 93 4.409 0.599 -10.563 1.00 0.38 C ATOM 1373 O LYS A 93 4.240 -0.218 -9.679 1.00 0.39 O ATOM 1374 CB LYS A 93 5.218 2.520 -9.149 1.00 0.46 C ATOM 1375 CG LYS A 93 6.665 2.612 -9.569 1.00 1.29 C ATOM 1376 CD LYS A 93 6.847 3.638 -10.670 1.00 2.11 C ATOM 1377 CE LYS A 93 8.310 3.930 -10.933 1.00 2.85 C ATOM 1378 NZ LYS A 93 8.472 4.990 -11.956 1.00 3.26 N ATOM 0 H LYS A 93 2.785 2.188 -8.802 1.00 0.31 H new ATOM 0 HA LYS A 93 4.448 2.648 -11.177 1.00 0.37 H new ATOM 0 HB2 LYS A 93 4.902 3.492 -8.771 1.00 0.46 H new ATOM 0 HB3 LYS A 93 5.139 1.815 -8.321 1.00 0.46 H new ATOM 0 HG2 LYS A 93 7.280 2.882 -8.710 1.00 1.29 H new ATOM 0 HG3 LYS A 93 7.010 1.637 -9.915 1.00 1.29 H new ATOM 0 HD2 LYS A 93 6.379 3.276 -11.585 1.00 2.11 H new ATOM 0 HD3 LYS A 93 6.336 4.561 -10.395 1.00 2.11 H new ATOM 0 HE2 LYS A 93 8.794 4.239 -10.006 1.00 2.85 H new ATOM 0 HE3 LYS A 93 8.810 3.021 -11.266 1.00 2.85 H new ATOM 0 HZ1 LYS A 93 9.484 5.168 -12.114 1.00 3.26 H new ATOM 0 HZ2 LYS A 93 8.031 4.683 -12.846 1.00 3.26 H new ATOM 0 HZ3 LYS A 93 8.015 5.864 -11.626 1.00 3.26 H new ATOM 1392 N GLU A 94 4.745 0.226 -11.784 1.00 0.43 N ATOM 1393 CA GLU A 94 4.730 -1.188 -12.123 1.00 0.47 C ATOM 1394 C GLU A 94 6.116 -1.793 -11.943 1.00 0.52 C ATOM 1395 O GLU A 94 6.988 -1.719 -12.810 1.00 0.62 O ATOM 1396 CB GLU A 94 4.238 -1.393 -13.563 1.00 0.56 C ATOM 1397 CG GLU A 94 4.292 -2.844 -14.022 1.00 1.38 C ATOM 1398 CD GLU A 94 3.728 -3.051 -15.411 1.00 1.76 C ATOM 1399 OE1 GLU A 94 4.279 -2.469 -16.371 1.00 2.05 O ATOM 1400 OE2 GLU A 94 2.727 -3.784 -15.555 1.00 2.33 O ATOM 0 H GLU A 94 5.023 0.856 -12.536 1.00 0.43 H new ATOM 0 HA GLU A 94 4.040 -1.696 -11.449 1.00 0.47 H new ATOM 0 HB2 GLU A 94 3.212 -1.033 -13.643 1.00 0.56 H new ATOM 0 HB3 GLU A 94 4.843 -0.785 -14.235 1.00 0.56 H new ATOM 0 HG2 GLU A 94 5.327 -3.186 -14.002 1.00 1.38 H new ATOM 0 HG3 GLU A 94 3.738 -3.463 -13.316 1.00 1.38 H new ATOM 1407 N MET A 95 6.294 -2.362 -10.758 1.00 0.50 N ATOM 1408 CA MET A 95 7.500 -3.082 -10.394 1.00 0.59 C ATOM 1409 C MET A 95 7.144 -4.537 -10.093 1.00 0.66 C ATOM 1410 O MET A 95 6.318 -4.808 -9.227 1.00 0.65 O ATOM 1411 CB MET A 95 8.175 -2.416 -9.195 1.00 0.60 C ATOM 1412 CG MET A 95 9.574 -2.936 -8.926 1.00 1.21 C ATOM 1413 SD MET A 95 10.650 -2.782 -10.368 1.00 1.67 S ATOM 1414 CE MET A 95 10.470 -1.042 -10.749 1.00 2.39 C ATOM 0 H MET A 95 5.595 -2.334 -10.016 1.00 0.50 H new ATOM 0 HA MET A 95 8.207 -3.059 -11.223 1.00 0.59 H new ATOM 0 HB2 MET A 95 8.222 -1.340 -9.365 1.00 0.60 H new ATOM 0 HB3 MET A 95 7.561 -2.572 -8.308 1.00 0.60 H new ATOM 0 HG2 MET A 95 10.009 -2.388 -8.090 1.00 1.21 H new ATOM 0 HG3 MET A 95 9.519 -3.983 -8.626 1.00 1.21 H new ATOM 0 HE1 MET A 95 11.282 -0.727 -11.405 1.00 2.39 H new ATOM 0 HE2 MET A 95 9.515 -0.876 -11.248 1.00 2.39 H new ATOM 0 HE3 MET A 95 10.504 -0.462 -9.827 1.00 2.39 H new ATOM 1424 N PRO A 96 7.738 -5.490 -10.812 1.00 0.82 N ATOM 1425 CA PRO A 96 7.330 -6.886 -10.744 1.00 0.95 C ATOM 1426 C PRO A 96 7.865 -7.661 -9.533 1.00 0.93 C ATOM 1427 O PRO A 96 9.054 -7.612 -9.219 1.00 0.98 O ATOM 1428 CB PRO A 96 7.868 -7.477 -12.046 1.00 1.19 C ATOM 1429 CG PRO A 96 9.013 -6.607 -12.453 1.00 1.26 C ATOM 1430 CD PRO A 96 8.859 -5.283 -11.744 1.00 0.99 C ATOM 0 HA PRO A 96 6.249 -6.960 -10.623 1.00 0.95 H new ATOM 0 HB2 PRO A 96 8.193 -8.507 -11.901 1.00 1.19 H new ATOM 0 HB3 PRO A 96 7.096 -7.491 -12.816 1.00 1.19 H new ATOM 0 HG2 PRO A 96 9.961 -7.074 -12.188 1.00 1.26 H new ATOM 0 HG3 PRO A 96 9.019 -6.464 -13.534 1.00 1.26 H new ATOM 0 HD2 PRO A 96 9.771 -5.009 -11.213 1.00 0.99 H new ATOM 0 HD3 PRO A 96 8.646 -4.479 -12.448 1.00 0.99 H new ATOM 1438 N GLU A 97 6.941 -8.367 -8.870 1.00 0.98 N ATOM 1439 CA GLU A 97 7.252 -9.394 -7.865 1.00 1.06 C ATOM 1440 C GLU A 97 7.763 -8.843 -6.530 1.00 0.90 C ATOM 1441 O GLU A 97 8.443 -7.823 -6.457 1.00 0.88 O ATOM 1442 CB GLU A 97 8.261 -10.391 -8.430 1.00 1.32 C ATOM 1443 CG GLU A 97 8.409 -11.660 -7.611 1.00 1.84 C ATOM 1444 CD GLU A 97 9.216 -12.715 -8.335 1.00 2.42 C ATOM 1445 OE1 GLU A 97 10.395 -12.454 -8.655 1.00 3.15 O ATOM 1446 OE2 GLU A 97 8.666 -13.806 -8.595 1.00 2.74 O ATOM 0 H GLU A 97 5.940 -8.240 -9.018 1.00 0.98 H new ATOM 0 HA GLU A 97 6.304 -9.885 -7.644 1.00 1.06 H new ATOM 0 HB2 GLU A 97 7.961 -10.659 -9.443 1.00 1.32 H new ATOM 0 HB3 GLU A 97 9.233 -9.904 -8.503 1.00 1.32 H new ATOM 0 HG2 GLU A 97 8.890 -11.424 -6.662 1.00 1.84 H new ATOM 0 HG3 GLU A 97 7.421 -12.057 -7.377 1.00 1.84 H new ATOM 1453 N ILE A 98 7.378 -9.568 -5.485 1.00 1.08 N ATOM 1454 CA ILE A 98 7.735 -9.285 -4.092 1.00 1.17 C ATOM 1455 C ILE A 98 9.217 -9.557 -3.836 1.00 1.10 C ATOM 1456 O ILE A 98 9.719 -10.641 -4.144 1.00 1.29 O ATOM 1457 CB ILE A 98 6.875 -10.148 -3.127 1.00 1.61 C ATOM 1458 CG1 ILE A 98 7.458 -10.148 -1.707 1.00 2.25 C ATOM 1459 CG2 ILE A 98 6.746 -11.572 -3.654 1.00 2.35 C ATOM 1460 CD1 ILE A 98 6.634 -10.933 -0.707 1.00 3.20 C ATOM 0 H ILE A 98 6.790 -10.396 -5.583 1.00 1.08 H new ATOM 0 HA ILE A 98 7.538 -8.229 -3.907 1.00 1.17 H new ATOM 0 HB ILE A 98 5.881 -9.704 -3.078 1.00 1.61 H new ATOM 0 HG12 ILE A 98 8.466 -10.562 -1.738 1.00 2.25 H new ATOM 0 HG13 ILE A 98 7.547 -9.118 -1.361 1.00 2.25 H new ATOM 0 HG21 ILE A 98 6.141 -12.161 -2.965 1.00 2.35 H new ATOM 0 HG22 ILE A 98 6.269 -11.556 -4.634 1.00 2.35 H new ATOM 0 HG23 ILE A 98 7.736 -12.019 -3.740 1.00 2.35 H new ATOM 0 HD11 ILE A 98 7.110 -10.886 0.273 1.00 3.20 H new ATOM 0 HD12 ILE A 98 5.633 -10.506 -0.645 1.00 3.20 H new ATOM 0 HD13 ILE A 98 6.566 -11.972 -1.028 1.00 3.20 H new ATOM 1472 N PRO A 99 9.937 -8.574 -3.277 1.00 1.08 N ATOM 1473 CA PRO A 99 11.380 -8.657 -3.126 1.00 1.14 C ATOM 1474 C PRO A 99 11.870 -9.326 -1.830 1.00 1.08 C ATOM 1475 O PRO A 99 11.304 -9.171 -0.751 1.00 1.15 O ATOM 1476 CB PRO A 99 11.788 -7.186 -3.150 1.00 1.38 C ATOM 1477 CG PRO A 99 10.638 -6.454 -2.538 1.00 1.61 C ATOM 1478 CD PRO A 99 9.406 -7.296 -2.771 1.00 1.28 C ATOM 0 HA PRO A 99 11.817 -9.286 -3.902 1.00 1.14 H new ATOM 0 HB2 PRO A 99 12.706 -7.022 -2.585 1.00 1.38 H new ATOM 0 HB3 PRO A 99 11.975 -6.845 -4.168 1.00 1.38 H new ATOM 0 HG2 PRO A 99 10.803 -6.298 -1.472 1.00 1.61 H new ATOM 0 HG3 PRO A 99 10.523 -5.469 -2.990 1.00 1.61 H new ATOM 0 HD2 PRO A 99 8.839 -7.436 -1.851 1.00 1.28 H new ATOM 0 HD3 PRO A 99 8.734 -6.830 -3.492 1.00 1.28 H new ATOM 1486 N LYS A 100 12.952 -10.071 -2.007 1.00 1.10 N ATOM 1487 CA LYS A 100 13.803 -10.606 -0.936 1.00 1.07 C ATOM 1488 C LYS A 100 15.052 -9.733 -0.901 1.00 1.03 C ATOM 1489 O LYS A 100 15.940 -9.846 -0.049 1.00 0.99 O ATOM 1490 CB LYS A 100 14.160 -12.066 -1.227 1.00 1.15 C ATOM 1491 CG LYS A 100 12.957 -12.995 -1.220 1.00 1.99 C ATOM 1492 CD LYS A 100 13.249 -14.301 -1.941 1.00 2.34 C ATOM 1493 CE LYS A 100 13.415 -14.083 -3.438 1.00 3.09 C ATOM 1494 NZ LYS A 100 13.729 -15.347 -4.156 1.00 3.70 N ATOM 0 H LYS A 100 13.280 -10.334 -2.936 1.00 1.10 H new ATOM 0 HA LYS A 100 13.294 -10.588 0.028 1.00 1.07 H new ATOM 0 HB2 LYS A 100 14.650 -12.126 -2.199 1.00 1.15 H new ATOM 0 HB3 LYS A 100 14.880 -12.411 -0.485 1.00 1.15 H new ATOM 0 HG2 LYS A 100 12.666 -13.205 -0.191 1.00 1.99 H new ATOM 0 HG3 LYS A 100 12.111 -12.498 -1.696 1.00 1.99 H new ATOM 0 HD2 LYS A 100 14.156 -14.748 -1.534 1.00 2.34 H new ATOM 0 HD3 LYS A 100 12.438 -15.007 -1.762 1.00 2.34 H new ATOM 0 HE2 LYS A 100 12.500 -13.653 -3.845 1.00 3.09 H new ATOM 0 HE3 LYS A 100 14.212 -13.360 -3.612 1.00 3.09 H new ATOM 0 HZ1 LYS A 100 13.834 -15.152 -5.172 1.00 3.70 H new ATOM 0 HZ2 LYS A 100 14.616 -15.745 -3.787 1.00 3.70 H new ATOM 0 HZ3 LYS A 100 12.957 -16.029 -4.012 1.00 3.70 H new ATOM 1508 N THR A 101 15.113 -8.981 -1.978 1.00 1.10 N ATOM 1509 CA THR A 101 16.156 -8.099 -2.378 1.00 1.11 C ATOM 1510 C THR A 101 15.506 -6.819 -2.931 1.00 1.16 C ATOM 1511 O THR A 101 14.824 -6.868 -3.952 1.00 1.30 O ATOM 1512 CB THR A 101 17.006 -8.803 -3.461 1.00 1.30 C ATOM 1513 OG1 THR A 101 17.989 -7.924 -4.021 1.00 1.73 O ATOM 1514 CG2 THR A 101 16.136 -9.372 -4.577 1.00 1.92 C ATOM 0 H THR A 101 14.350 -8.982 -2.655 1.00 1.10 H new ATOM 0 HA THR A 101 16.806 -7.838 -1.542 1.00 1.11 H new ATOM 0 HB THR A 101 17.519 -9.625 -2.962 1.00 1.30 H new ATOM 0 HG1 THR A 101 18.845 -8.056 -3.562 1.00 1.73 H new ATOM 0 HG21 THR A 101 16.769 -9.859 -5.319 1.00 1.92 H new ATOM 0 HG22 THR A 101 15.440 -10.100 -4.160 1.00 1.92 H new ATOM 0 HG23 THR A 101 15.577 -8.565 -5.050 1.00 1.92 H new ATOM 1522 N ILE A 102 15.658 -5.687 -2.255 1.00 1.14 N ATOM 1523 CA ILE A 102 15.100 -4.449 -2.782 1.00 1.18 C ATOM 1524 C ILE A 102 16.223 -3.640 -3.376 1.00 1.22 C ATOM 1525 O ILE A 102 17.169 -3.275 -2.693 1.00 1.37 O ATOM 1526 CB ILE A 102 14.312 -3.626 -1.720 1.00 1.31 C ATOM 1527 CG1 ILE A 102 13.563 -2.442 -2.362 1.00 2.08 C ATOM 1528 CG2 ILE A 102 15.221 -3.131 -0.606 1.00 1.98 C ATOM 1529 CD1 ILE A 102 14.403 -1.202 -2.616 1.00 2.69 C ATOM 0 H ILE A 102 16.149 -5.600 -1.365 1.00 1.14 H new ATOM 0 HA ILE A 102 14.366 -4.703 -3.547 1.00 1.18 H new ATOM 0 HB ILE A 102 13.575 -4.300 -1.284 1.00 1.31 H new ATOM 0 HG12 ILE A 102 13.138 -2.773 -3.310 1.00 2.08 H new ATOM 0 HG13 ILE A 102 12.728 -2.169 -1.717 1.00 2.08 H new ATOM 0 HG21 ILE A 102 14.635 -2.561 0.115 1.00 1.98 H new ATOM 0 HG22 ILE A 102 15.682 -3.983 -0.107 1.00 1.98 H new ATOM 0 HG23 ILE A 102 15.998 -2.493 -1.027 1.00 1.98 H new ATOM 0 HD11 ILE A 102 13.783 -0.429 -3.069 1.00 2.69 H new ATOM 0 HD12 ILE A 102 14.807 -0.836 -1.672 1.00 2.69 H new ATOM 0 HD13 ILE A 102 15.223 -1.450 -3.290 1.00 2.69 H new ATOM 1541 N THR A 103 16.128 -3.345 -4.637 1.00 1.15 N ATOM 1542 CA THR A 103 17.221 -2.709 -5.304 1.00 1.20 C ATOM 1543 C THR A 103 16.729 -1.467 -6.001 1.00 1.08 C ATOM 1544 O THR A 103 15.835 -1.532 -6.834 1.00 1.05 O ATOM 1545 CB THR A 103 17.922 -3.672 -6.295 1.00 1.39 C ATOM 1546 OG1 THR A 103 18.917 -2.974 -7.057 1.00 1.58 O ATOM 1547 CG2 THR A 103 16.924 -4.341 -7.234 1.00 1.57 C ATOM 0 H THR A 103 15.312 -3.533 -5.220 1.00 1.15 H new ATOM 0 HA THR A 103 17.967 -2.426 -4.561 1.00 1.20 H new ATOM 0 HB THR A 103 18.403 -4.451 -5.704 1.00 1.39 H new ATOM 0 HG1 THR A 103 19.351 -3.597 -7.677 1.00 1.58 H new ATOM 0 HG21 THR A 103 17.454 -5.008 -7.913 1.00 1.57 H new ATOM 0 HG22 THR A 103 16.204 -4.915 -6.651 1.00 1.57 H new ATOM 0 HG23 THR A 103 16.399 -3.579 -7.810 1.00 1.57 H new ATOM 1555 N GLY A 104 17.396 -0.365 -5.690 1.00 1.08 N ATOM 1556 CA GLY A 104 16.979 0.980 -6.095 1.00 1.03 C ATOM 1557 C GLY A 104 15.480 1.184 -6.353 1.00 0.92 C ATOM 1558 O GLY A 104 14.794 1.739 -5.506 1.00 0.84 O ATOM 0 H GLY A 104 18.256 -0.375 -5.141 1.00 1.08 H new ATOM 0 HA2 GLY A 104 17.290 1.681 -5.321 1.00 1.03 H new ATOM 0 HA3 GLY A 104 17.521 1.246 -7.003 1.00 1.03 H new ATOM 1562 N SER A 105 14.980 0.754 -7.499 1.00 0.96 N ATOM 1563 CA SER A 105 13.688 1.202 -8.024 1.00 0.92 C ATOM 1564 C SER A 105 12.453 0.792 -7.190 1.00 0.81 C ATOM 1565 O SER A 105 11.394 1.386 -7.376 1.00 0.77 O ATOM 1566 CB SER A 105 13.518 0.731 -9.469 1.00 1.05 C ATOM 1567 OG SER A 105 12.418 1.381 -10.086 1.00 1.47 O ATOM 0 H SER A 105 15.456 0.081 -8.099 1.00 0.96 H new ATOM 0 HA SER A 105 13.723 2.290 -7.966 1.00 0.92 H new ATOM 0 HB2 SER A 105 14.429 0.935 -10.032 1.00 1.05 H new ATOM 0 HB3 SER A 105 13.366 -0.348 -9.489 1.00 1.05 H new ATOM 0 HG SER A 105 11.706 1.516 -9.426 1.00 1.47 H new ATOM 1573 N GLU A 106 12.545 -0.198 -6.298 1.00 0.79 N ATOM 1574 CA GLU A 106 11.357 -0.632 -5.539 1.00 0.72 C ATOM 1575 C GLU A 106 11.055 0.331 -4.386 1.00 0.56 C ATOM 1576 O GLU A 106 10.138 0.106 -3.598 1.00 0.51 O ATOM 1577 CB GLU A 106 11.521 -2.047 -4.972 1.00 0.82 C ATOM 1578 CG GLU A 106 11.552 -3.153 -6.013 1.00 1.28 C ATOM 1579 CD GLU A 106 12.853 -3.199 -6.778 1.00 1.74 C ATOM 1580 OE1 GLU A 106 13.899 -3.435 -6.147 1.00 2.39 O ATOM 1581 OE2 GLU A 106 12.828 -3.011 -8.011 1.00 2.11 O ATOM 0 H GLU A 106 13.403 -0.706 -6.083 1.00 0.79 H new ATOM 0 HA GLU A 106 10.526 -0.632 -6.245 1.00 0.72 H new ATOM 0 HB2 GLU A 106 12.444 -2.086 -4.394 1.00 0.82 H new ATOM 0 HB3 GLU A 106 10.702 -2.242 -4.279 1.00 0.82 H new ATOM 0 HG2 GLU A 106 11.390 -4.113 -5.522 1.00 1.28 H new ATOM 0 HG3 GLU A 106 10.729 -3.010 -6.713 1.00 1.28 H new ATOM 1588 N THR A 107 11.823 1.407 -4.320 1.00 0.55 N ATOM 1589 CA THR A 107 11.751 2.373 -3.240 1.00 0.49 C ATOM 1590 C THR A 107 10.449 3.176 -3.286 1.00 0.37 C ATOM 1591 O THR A 107 10.077 3.829 -2.311 1.00 0.38 O ATOM 1592 CB THR A 107 12.976 3.321 -3.303 1.00 0.62 C ATOM 1593 OG1 THR A 107 14.177 2.560 -3.133 1.00 1.41 O ATOM 1594 CG2 THR A 107 12.928 4.416 -2.244 1.00 1.27 C ATOM 0 H THR A 107 12.523 1.635 -5.026 1.00 0.55 H new ATOM 0 HA THR A 107 11.764 1.828 -2.296 1.00 0.49 H new ATOM 0 HB THR A 107 12.957 3.806 -4.279 1.00 0.62 H new ATOM 0 HG1 THR A 107 14.673 2.538 -3.978 1.00 1.41 H new ATOM 0 HG21 THR A 107 13.810 5.049 -2.335 1.00 1.27 H new ATOM 0 HG22 THR A 107 12.032 5.020 -2.385 1.00 1.27 H new ATOM 0 HG23 THR A 107 12.908 3.963 -1.253 1.00 1.27 H new ATOM 1602 N ASN A 108 9.736 3.125 -4.407 1.00 0.34 N ATOM 1603 CA ASN A 108 8.491 3.822 -4.507 1.00 0.29 C ATOM 1604 C ASN A 108 7.458 3.167 -3.599 1.00 0.25 C ATOM 1605 O ASN A 108 6.634 3.842 -2.983 1.00 0.27 O ATOM 1606 CB ASN A 108 8.043 3.777 -5.963 1.00 0.40 C ATOM 1607 CG ASN A 108 9.043 4.445 -6.896 1.00 0.58 C ATOM 1608 OD1 ASN A 108 9.986 3.814 -7.370 1.00 1.39 O ATOM 1609 ND2 ASN A 108 8.842 5.724 -7.171 1.00 1.22 N ATOM 0 H ASN A 108 10.009 2.609 -5.243 1.00 0.34 H new ATOM 0 HA ASN A 108 8.602 4.859 -4.190 1.00 0.29 H new ATOM 0 HB2 ASN A 108 7.904 2.739 -6.266 1.00 0.40 H new ATOM 0 HB3 ASN A 108 7.075 4.269 -6.058 1.00 0.40 H new ATOM 0 HD21 ASN A 108 9.480 6.218 -7.795 1.00 1.22 H new ATOM 0 HD22 ASN A 108 8.049 6.216 -6.759 1.00 1.22 H new ATOM 1616 N LEU A 109 7.546 1.844 -3.506 1.00 0.25 N ATOM 1617 CA LEU A 109 6.643 1.043 -2.693 1.00 0.26 C ATOM 1618 C LEU A 109 7.157 0.793 -1.269 1.00 0.21 C ATOM 1619 O LEU A 109 6.997 -0.311 -0.742 1.00 0.23 O ATOM 1620 CB LEU A 109 6.305 -0.283 -3.387 1.00 0.41 C ATOM 1621 CG LEU A 109 5.274 -1.151 -2.654 1.00 0.54 C ATOM 1622 CD1 LEU A 109 4.057 -0.331 -2.282 1.00 0.83 C ATOM 1623 CD2 LEU A 109 4.864 -2.338 -3.497 1.00 0.95 C ATOM 0 H LEU A 109 8.252 1.295 -3.997 1.00 0.25 H new ATOM 0 HA LEU A 109 5.733 1.633 -2.590 1.00 0.26 H new ATOM 0 HB2 LEU A 109 5.931 -0.067 -4.388 1.00 0.41 H new ATOM 0 HB3 LEU A 109 7.223 -0.858 -3.507 1.00 0.41 H new ATOM 0 HG LEU A 109 5.740 -1.524 -1.742 1.00 0.54 H new ATOM 0 HD11 LEU A 109 3.337 -0.964 -1.763 1.00 0.83 H new ATOM 0 HD12 LEU A 109 4.356 0.489 -1.629 1.00 0.83 H new ATOM 0 HD13 LEU A 109 3.600 0.073 -3.186 1.00 0.83 H new ATOM 0 HD21 LEU A 109 4.133 -2.936 -2.953 1.00 0.95 H new ATOM 0 HD22 LEU A 109 4.423 -1.987 -4.430 1.00 0.95 H new ATOM 0 HD23 LEU A 109 5.740 -2.948 -3.717 1.00 0.95 H new ATOM 1635 N LEU A 110 7.737 1.782 -0.606 1.00 0.20 N ATOM 1636 CA LEU A 110 8.160 1.533 0.760 1.00 0.21 C ATOM 1637 C LEU A 110 7.050 1.982 1.690 1.00 0.23 C ATOM 1638 O LEU A 110 6.515 3.084 1.543 1.00 0.31 O ATOM 1639 CB LEU A 110 9.428 2.326 1.122 1.00 0.28 C ATOM 1640 CG LEU A 110 10.616 2.235 0.160 1.00 0.81 C ATOM 1641 CD1 LEU A 110 11.782 3.048 0.704 1.00 1.71 C ATOM 1642 CD2 LEU A 110 11.044 0.797 -0.065 1.00 1.64 C ATOM 0 H LEU A 110 7.918 2.718 -0.969 1.00 0.20 H new ATOM 0 HA LEU A 110 8.376 0.469 0.860 1.00 0.21 H new ATOM 0 HB2 LEU A 110 9.152 3.376 1.218 1.00 0.28 H new ATOM 0 HB3 LEU A 110 9.764 1.994 2.104 1.00 0.28 H new ATOM 0 HG LEU A 110 10.303 2.642 -0.802 1.00 0.81 H new ATOM 0 HD11 LEU A 110 12.625 2.980 0.016 1.00 1.71 H new ATOM 0 HD12 LEU A 110 11.481 4.091 0.808 1.00 1.71 H new ATOM 0 HD13 LEU A 110 12.076 2.656 1.678 1.00 1.71 H new ATOM 0 HD21 LEU A 110 11.889 0.772 -0.753 1.00 1.64 H new ATOM 0 HD22 LEU A 110 11.337 0.352 0.886 1.00 1.64 H new ATOM 0 HD23 LEU A 110 10.214 0.233 -0.490 1.00 1.64 H new ATOM 1654 N PHE A 111 6.758 1.163 2.694 1.00 0.22 N ATOM 1655 CA PHE A 111 5.578 1.381 3.528 1.00 0.25 C ATOM 1656 C PHE A 111 5.874 1.129 4.996 1.00 0.23 C ATOM 1657 O PHE A 111 6.251 0.023 5.377 1.00 0.27 O ATOM 1658 CB PHE A 111 4.447 0.434 3.103 1.00 0.42 C ATOM 1659 CG PHE A 111 3.552 0.933 2.001 1.00 0.91 C ATOM 1660 CD1 PHE A 111 4.087 1.674 0.965 1.00 1.64 C ATOM 1661 CD2 PHE A 111 2.196 0.666 1.992 1.00 1.18 C ATOM 1662 CE1 PHE A 111 3.292 2.136 -0.058 1.00 2.38 C ATOM 1663 CE2 PHE A 111 1.393 1.126 0.971 1.00 1.90 C ATOM 1664 CZ PHE A 111 1.863 1.841 0.001 1.00 2.46 C ATOM 0 H PHE A 111 7.316 0.348 2.950 1.00 0.22 H new ATOM 0 HA PHE A 111 5.281 2.421 3.395 1.00 0.25 H new ATOM 0 HB2 PHE A 111 4.890 -0.510 2.786 1.00 0.42 H new ATOM 0 HB3 PHE A 111 3.831 0.220 3.976 1.00 0.42 H new ATOM 0 HD1 PHE A 111 5.144 1.894 0.958 1.00 1.64 H new ATOM 0 HD2 PHE A 111 1.760 0.090 2.795 1.00 1.18 H new ATOM 0 HE1 PHE A 111 3.711 2.699 -0.879 1.00 2.38 H new ATOM 0 HE2 PHE A 111 0.341 0.882 0.981 1.00 1.90 H new ATOM 0 HZ PHE A 111 1.200 2.219 -0.763 1.00 2.46 H new ATOM 1674 N PHE A 112 5.688 2.161 5.808 1.00 0.21 N ATOM 1675 CA PHE A 112 5.817 2.038 7.256 1.00 0.25 C ATOM 1676 C PHE A 112 4.497 1.586 7.827 1.00 0.25 C ATOM 1677 O PHE A 112 3.537 2.358 7.883 1.00 0.26 O ATOM 1678 CB PHE A 112 6.257 3.343 7.926 1.00 0.30 C ATOM 1679 CG PHE A 112 6.204 3.277 9.433 1.00 0.57 C ATOM 1680 CD1 PHE A 112 6.824 2.241 10.116 1.00 0.79 C ATOM 1681 CD2 PHE A 112 5.516 4.234 10.160 1.00 0.95 C ATOM 1682 CE1 PHE A 112 6.765 2.167 11.493 1.00 1.21 C ATOM 1683 CE2 PHE A 112 5.449 4.163 11.539 1.00 1.43 C ATOM 1684 CZ PHE A 112 6.076 3.128 12.206 1.00 1.50 C ATOM 0 H PHE A 112 5.446 3.098 5.487 1.00 0.21 H new ATOM 0 HA PHE A 112 6.597 1.304 7.459 1.00 0.25 H new ATOM 0 HB2 PHE A 112 7.274 3.581 7.613 1.00 0.30 H new ATOM 0 HB3 PHE A 112 5.619 4.156 7.580 1.00 0.30 H new ATOM 0 HD1 PHE A 112 7.359 1.483 9.564 1.00 0.79 H new ATOM 0 HD2 PHE A 112 5.026 5.046 9.643 1.00 0.95 H new ATOM 0 HE1 PHE A 112 7.257 1.358 12.012 1.00 1.21 H new ATOM 0 HE2 PHE A 112 4.908 4.915 12.094 1.00 1.43 H new ATOM 0 HZ PHE A 112 6.027 3.071 13.283 1.00 1.50 H new ATOM 1694 N TRP A 113 4.442 0.341 8.234 1.00 0.31 N ATOM 1695 CA TRP A 113 3.161 -0.260 8.583 1.00 0.35 C ATOM 1696 C TRP A 113 2.864 -0.138 10.078 1.00 0.33 C ATOM 1697 O TRP A 113 3.472 -0.799 10.920 1.00 0.37 O ATOM 1698 CB TRP A 113 3.108 -1.728 8.127 1.00 0.48 C ATOM 1699 CG TRP A 113 4.199 -2.595 8.685 1.00 1.08 C ATOM 1700 CD1 TRP A 113 5.533 -2.504 8.423 1.00 2.30 C ATOM 1701 CD2 TRP A 113 4.042 -3.697 9.589 1.00 1.17 C ATOM 1702 NE1 TRP A 113 6.217 -3.476 9.108 1.00 3.02 N ATOM 1703 CE2 TRP A 113 5.324 -4.220 9.834 1.00 2.29 C ATOM 1704 CE3 TRP A 113 2.942 -4.288 10.217 1.00 1.12 C ATOM 1705 CZ2 TRP A 113 5.537 -5.309 10.677 1.00 2.67 C ATOM 1706 CZ3 TRP A 113 3.154 -5.367 11.054 1.00 1.47 C ATOM 1707 CH2 TRP A 113 4.443 -5.867 11.279 1.00 2.02 C ATOM 0 H TRP A 113 5.250 -0.274 8.333 1.00 0.31 H new ATOM 0 HA TRP A 113 2.384 0.292 8.055 1.00 0.35 H new ATOM 0 HB2 TRP A 113 2.144 -2.149 8.414 1.00 0.48 H new ATOM 0 HB3 TRP A 113 3.158 -1.759 7.039 1.00 0.48 H new ATOM 0 HD1 TRP A 113 5.986 -1.772 7.770 1.00 2.30 H new ATOM 0 HE1 TRP A 113 7.226 -3.621 9.081 1.00 3.02 H new ATOM 0 HE3 TRP A 113 1.945 -3.908 10.051 1.00 1.12 H new ATOM 0 HZ2 TRP A 113 6.530 -5.698 10.849 1.00 2.67 H new ATOM 0 HZ3 TRP A 113 2.311 -5.833 11.543 1.00 1.47 H new ATOM 0 HH2 TRP A 113 4.576 -6.710 11.941 1.00 2.02 H new ATOM 1718 N GLU A 114 1.923 0.744 10.389 1.00 0.32 N ATOM 1719 CA GLU A 114 1.423 0.898 11.745 1.00 0.37 C ATOM 1720 C GLU A 114 0.043 0.250 11.846 1.00 0.39 C ATOM 1721 O GLU A 114 -0.946 0.815 11.381 1.00 0.42 O ATOM 1722 CB GLU A 114 1.345 2.385 12.110 1.00 0.43 C ATOM 1723 CG GLU A 114 1.084 2.647 13.586 1.00 0.96 C ATOM 1724 CD GLU A 114 0.909 4.120 13.898 1.00 1.50 C ATOM 1725 OE1 GLU A 114 1.923 4.821 14.108 1.00 1.90 O ATOM 1726 OE2 GLU A 114 -0.247 4.585 13.943 1.00 2.32 O ATOM 0 H GLU A 114 1.488 1.369 9.711 1.00 0.32 H new ATOM 0 HA GLU A 114 2.101 0.409 12.444 1.00 0.37 H new ATOM 0 HB2 GLU A 114 2.280 2.868 11.826 1.00 0.43 H new ATOM 0 HB3 GLU A 114 0.554 2.852 11.523 1.00 0.43 H new ATOM 0 HG2 GLU A 114 0.189 2.106 13.894 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.913 2.252 14.173 1.00 0.96 H new ATOM 1733 N THR A 115 -0.023 -0.930 12.450 1.00 0.47 N ATOM 1734 CA THR A 115 -1.260 -1.705 12.489 1.00 0.49 C ATOM 1735 C THR A 115 -1.985 -1.554 13.828 1.00 0.52 C ATOM 1736 O THR A 115 -1.392 -1.736 14.891 1.00 0.64 O ATOM 1737 CB THR A 115 -0.983 -3.200 12.221 1.00 0.67 C ATOM 1738 OG1 THR A 115 -0.232 -3.346 11.006 1.00 1.38 O ATOM 1739 CG2 THR A 115 -2.280 -3.988 12.108 1.00 1.39 C ATOM 0 H THR A 115 0.766 -1.373 12.921 1.00 0.47 H new ATOM 0 HA THR A 115 -1.904 -1.310 11.703 1.00 0.49 H new ATOM 0 HB THR A 115 -0.411 -3.593 13.061 1.00 0.67 H new ATOM 0 HG1 THR A 115 -0.057 -4.296 10.841 1.00 1.38 H new ATOM 0 HG21 THR A 115 -2.053 -5.037 11.919 1.00 1.39 H new ATOM 0 HG22 THR A 115 -2.842 -3.900 13.038 1.00 1.39 H new ATOM 0 HG23 THR A 115 -2.876 -3.592 11.286 1.00 1.39 H new ATOM 1747 N HIS A 116 -3.262 -1.191 13.767 1.00 0.47 N ATOM 1748 CA HIS A 116 -4.092 -1.093 14.960 1.00 0.56 C ATOM 1749 C HIS A 116 -5.327 -1.965 14.790 1.00 0.56 C ATOM 1750 O HIS A 116 -6.306 -1.549 14.173 1.00 0.55 O ATOM 1751 CB HIS A 116 -4.535 0.354 15.215 1.00 0.66 C ATOM 1752 CG HIS A 116 -3.413 1.338 15.338 1.00 1.29 C ATOM 1753 ND1 HIS A 116 -2.620 1.448 16.460 1.00 1.88 N ATOM 1754 CD2 HIS A 116 -2.956 2.270 14.467 1.00 2.27 C ATOM 1755 CE1 HIS A 116 -1.730 2.402 16.277 1.00 2.63 C ATOM 1756 NE2 HIS A 116 -1.912 2.917 15.077 1.00 2.89 N ATOM 0 H HIS A 116 -3.745 -0.959 12.899 1.00 0.47 H new ATOM 0 HA HIS A 116 -3.501 -1.430 15.812 1.00 0.56 H new ATOM 0 HB2 HIS A 116 -5.189 0.668 14.401 1.00 0.66 H new ATOM 0 HB3 HIS A 116 -5.128 0.383 16.129 1.00 0.66 H new ATOM 0 HD2 HIS A 116 -3.342 2.467 13.478 1.00 2.27 H new ATOM 0 HE1 HIS A 116 -0.979 2.710 16.989 1.00 2.63 H new ATOM 0 HE2 HIS A 116 -1.365 3.674 14.668 1.00 2.89 H new ATOM 1765 N GLY A 117 -5.282 -3.165 15.348 1.00 0.64 N ATOM 1766 CA GLY A 117 -6.389 -4.092 15.201 1.00 0.71 C ATOM 1767 C GLY A 117 -6.432 -4.699 13.813 1.00 0.69 C ATOM 1768 O GLY A 117 -5.631 -5.578 13.489 1.00 0.74 O ATOM 0 H GLY A 117 -4.499 -3.515 15.900 1.00 0.64 H new ATOM 0 HA2 GLY A 117 -6.300 -4.886 15.943 1.00 0.71 H new ATOM 0 HA3 GLY A 117 -7.327 -3.573 15.401 1.00 0.71 H new ATOM 1772 N THR A 118 -7.361 -4.236 12.992 1.00 0.66 N ATOM 1773 CA THR A 118 -7.421 -4.658 11.605 1.00 0.69 C ATOM 1774 C THR A 118 -6.902 -3.548 10.691 1.00 0.56 C ATOM 1775 O THR A 118 -6.127 -3.805 9.771 1.00 0.57 O ATOM 1776 CB THR A 118 -8.845 -5.103 11.183 1.00 0.81 C ATOM 1777 OG1 THR A 118 -8.855 -5.502 9.808 1.00 1.60 O ATOM 1778 CG2 THR A 118 -9.874 -4.004 11.399 1.00 1.39 C ATOM 0 H THR A 118 -8.083 -3.568 13.263 1.00 0.66 H new ATOM 0 HA THR A 118 -6.777 -5.532 11.502 1.00 0.69 H new ATOM 0 HB THR A 118 -9.117 -5.949 11.815 1.00 0.81 H new ATOM 0 HG1 THR A 118 -9.760 -5.782 9.555 1.00 1.60 H new ATOM 0 HG21 THR A 118 -10.857 -4.360 11.090 1.00 1.39 H new ATOM 0 HG22 THR A 118 -9.901 -3.734 12.455 1.00 1.39 H new ATOM 0 HG23 THR A 118 -9.602 -3.130 10.808 1.00 1.39 H new ATOM 1786 N LYS A 119 -7.272 -2.303 10.985 1.00 0.50 N ATOM 1787 CA LYS A 119 -6.865 -1.187 10.161 1.00 0.41 C ATOM 1788 C LYS A 119 -5.403 -0.846 10.457 1.00 0.35 C ATOM 1789 O LYS A 119 -4.862 -1.197 11.509 1.00 0.40 O ATOM 1790 CB LYS A 119 -7.743 0.033 10.445 1.00 0.46 C ATOM 1791 CG LYS A 119 -7.453 0.704 11.775 1.00 0.98 C ATOM 1792 CD LYS A 119 -8.197 2.017 11.894 1.00 1.36 C ATOM 1793 CE LYS A 119 -7.572 2.916 12.940 1.00 1.79 C ATOM 1794 NZ LYS A 119 -8.156 4.279 12.911 1.00 2.49 N ATOM 0 H LYS A 119 -7.851 -2.051 11.786 1.00 0.50 H new ATOM 0 HA LYS A 119 -6.975 -1.462 9.112 1.00 0.41 H new ATOM 0 HB2 LYS A 119 -7.607 0.761 9.645 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -8.789 -0.272 10.424 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -7.743 0.042 12.591 1.00 0.98 H new ATOM 0 HG3 LYS A 119 -6.382 0.879 11.872 1.00 0.98 H new ATOM 0 HD2 LYS A 119 -8.197 2.525 10.930 1.00 1.36 H new ATOM 0 HD3 LYS A 119 -9.238 1.824 12.153 1.00 1.36 H new ATOM 0 HE2 LYS A 119 -7.716 2.479 13.928 1.00 1.79 H new ATOM 0 HE3 LYS A 119 -6.497 2.977 12.772 1.00 1.79 H new ATOM 0 HZ1 LYS A 119 -7.426 4.964 12.629 1.00 2.49 H new ATOM 0 HZ2 LYS A 119 -8.939 4.307 12.227 1.00 2.49 H new ATOM 0 HZ3 LYS A 119 -8.513 4.524 13.856 1.00 2.49 H new ATOM 1808 N ASN A 120 -4.779 -0.162 9.530 1.00 0.30 N ATOM 1809 CA ASN A 120 -3.367 0.181 9.621 1.00 0.28 C ATOM 1810 C ASN A 120 -3.049 1.385 8.743 1.00 0.28 C ATOM 1811 O ASN A 120 -3.756 1.655 7.774 1.00 0.32 O ATOM 1812 CB ASN A 120 -2.488 -1.022 9.225 1.00 0.36 C ATOM 1813 CG ASN A 120 -2.865 -1.678 7.897 1.00 1.26 C ATOM 1814 OD1 ASN A 120 -3.328 -0.901 6.930 1.00 2.08 O flip ATOM 1815 ND2 ASN A 120 -2.716 -2.889 7.739 1.00 2.07 N flip ATOM 0 H ASN A 120 -5.233 0.178 8.682 1.00 0.30 H new ATOM 0 HA ASN A 120 -3.146 0.442 10.656 1.00 0.28 H new ATOM 0 HB2 ASN A 120 -1.450 -0.694 9.171 1.00 0.36 H new ATOM 0 HB3 ASN A 120 -2.545 -1.772 10.014 1.00 0.36 H new ATOM 0 HD21 ASN A 120 -2.357 -3.463 8.502 1.00 2.07 H new ATOM 0 HD22 ASN A 120 -2.951 -3.319 6.845 1.00 2.07 H new ATOM 1822 N TYR A 121 -1.987 2.096 9.091 1.00 0.31 N ATOM 1823 CA TYR A 121 -1.539 3.256 8.325 1.00 0.37 C ATOM 1824 C TYR A 121 -0.232 2.918 7.618 1.00 0.30 C ATOM 1825 O TYR A 121 0.467 1.997 8.051 1.00 0.34 O ATOM 1826 CB TYR A 121 -1.318 4.445 9.266 1.00 0.66 C ATOM 1827 CG TYR A 121 -2.556 4.884 10.020 1.00 1.06 C ATOM 1828 CD1 TYR A 121 -2.955 4.219 11.166 1.00 1.46 C ATOM 1829 CD2 TYR A 121 -3.327 5.955 9.584 1.00 1.41 C ATOM 1830 CE1 TYR A 121 -4.081 4.603 11.862 1.00 1.98 C ATOM 1831 CE2 TYR A 121 -4.457 6.349 10.277 1.00 2.01 C ATOM 1832 CZ TYR A 121 -4.828 5.710 11.391 1.00 2.23 C ATOM 1833 OH TYR A 121 -5.953 6.047 12.113 1.00 2.84 O ATOM 0 H TYR A 121 -1.412 1.889 9.908 1.00 0.31 H new ATOM 0 HA TYR A 121 -2.298 3.518 7.588 1.00 0.37 H new ATOM 0 HB2 TYR A 121 -0.542 4.184 9.986 1.00 0.66 H new ATOM 0 HB3 TYR A 121 -0.943 5.288 8.685 1.00 0.66 H new ATOM 0 HD1 TYR A 121 -2.372 3.382 11.522 1.00 1.46 H new ATOM 0 HD2 TYR A 121 -3.039 6.488 8.690 1.00 1.41 H new ATOM 0 HE1 TYR A 121 -4.388 4.070 12.750 1.00 1.98 H new ATOM 0 HE2 TYR A 121 -5.045 7.180 9.915 1.00 2.01 H new ATOM 0 HH TYR A 121 -6.387 6.822 11.699 1.00 2.84 H new ATOM 1843 N PHE A 122 0.125 3.644 6.550 1.00 0.30 N ATOM 1844 CA PHE A 122 1.370 3.371 5.861 1.00 0.29 C ATOM 1845 C PHE A 122 2.131 4.653 5.591 1.00 0.26 C ATOM 1846 O PHE A 122 1.845 5.354 4.631 1.00 0.32 O ATOM 1847 CB PHE A 122 1.115 2.635 4.548 1.00 0.34 C ATOM 1848 CG PHE A 122 0.529 1.264 4.727 1.00 1.05 C ATOM 1849 CD1 PHE A 122 1.250 0.261 5.352 1.00 1.45 C ATOM 1850 CD2 PHE A 122 -0.749 0.986 4.278 1.00 1.56 C ATOM 1851 CE1 PHE A 122 0.704 -0.996 5.525 1.00 2.18 C ATOM 1852 CE2 PHE A 122 -1.298 -0.267 4.447 1.00 2.27 C ATOM 1853 CZ PHE A 122 -0.538 -1.278 5.046 1.00 2.54 C ATOM 0 H PHE A 122 -0.426 4.408 6.159 1.00 0.30 H new ATOM 0 HA PHE A 122 1.973 2.735 6.509 1.00 0.29 H new ATOM 0 HB2 PHE A 122 0.441 3.231 3.933 1.00 0.34 H new ATOM 0 HB3 PHE A 122 2.054 2.550 4.001 1.00 0.34 H new ATOM 0 HD1 PHE A 122 2.249 0.463 5.708 1.00 1.45 H new ATOM 0 HD2 PHE A 122 -1.323 1.759 3.789 1.00 1.56 H new ATOM 0 HE1 PHE A 122 1.266 -1.759 6.043 1.00 2.18 H new ATOM 0 HE2 PHE A 122 -2.307 -0.467 4.119 1.00 2.27 H new ATOM 0 HZ PHE A 122 -0.936 -2.279 5.128 1.00 2.54 H new ATOM 1863 N THR A 123 3.120 4.943 6.411 1.00 0.22 N ATOM 1864 CA THR A 123 3.905 6.138 6.244 1.00 0.22 C ATOM 1865 C THR A 123 5.056 5.811 5.320 1.00 0.20 C ATOM 1866 O THR A 123 5.640 4.741 5.421 1.00 0.19 O ATOM 1867 CB THR A 123 4.448 6.602 7.609 1.00 0.24 C ATOM 1868 OG1 THR A 123 3.367 6.702 8.547 1.00 0.32 O ATOM 1869 CG2 THR A 123 5.154 7.943 7.499 1.00 0.33 C ATOM 0 H THR A 123 3.396 4.361 7.202 1.00 0.22 H new ATOM 0 HA THR A 123 3.295 6.938 5.825 1.00 0.22 H new ATOM 0 HB THR A 123 5.174 5.865 7.954 1.00 0.24 H new ATOM 0 HG1 THR A 123 2.517 6.756 8.062 1.00 0.32 H new ATOM 0 HG21 THR A 123 5.525 8.241 8.480 1.00 0.33 H new ATOM 0 HG22 THR A 123 5.991 7.858 6.805 1.00 0.33 H new ATOM 0 HG23 THR A 123 4.454 8.694 7.133 1.00 0.33 H new ATOM 1877 N SER A 124 5.368 6.685 4.389 1.00 0.21 N ATOM 1878 CA SER A 124 6.389 6.346 3.434 1.00 0.23 C ATOM 1879 C SER A 124 7.725 6.356 4.142 1.00 0.29 C ATOM 1880 O SER A 124 8.107 7.338 4.777 1.00 0.34 O ATOM 1881 CB SER A 124 6.390 7.305 2.245 1.00 0.26 C ATOM 1882 OG SER A 124 7.362 6.926 1.282 1.00 1.17 O ATOM 0 H SER A 124 4.944 7.606 4.276 1.00 0.21 H new ATOM 0 HA SER A 124 6.190 5.353 3.030 1.00 0.23 H new ATOM 0 HB2 SER A 124 5.403 7.318 1.784 1.00 0.26 H new ATOM 0 HB3 SER A 124 6.593 8.318 2.592 1.00 0.26 H new ATOM 0 HG SER A 124 7.341 7.555 0.531 1.00 1.17 H new ATOM 1888 N VAL A 125 8.417 5.234 4.057 1.00 0.33 N ATOM 1889 CA VAL A 125 9.654 5.060 4.778 1.00 0.43 C ATOM 1890 C VAL A 125 10.749 5.879 4.109 1.00 0.53 C ATOM 1891 O VAL A 125 11.717 6.285 4.752 1.00 0.65 O ATOM 1892 CB VAL A 125 10.020 3.554 4.866 1.00 0.48 C ATOM 1893 CG1 VAL A 125 11.503 3.344 5.130 1.00 0.81 C ATOM 1894 CG2 VAL A 125 9.205 2.886 5.958 1.00 0.47 C ATOM 0 H VAL A 125 8.138 4.431 3.493 1.00 0.33 H new ATOM 0 HA VAL A 125 9.541 5.421 5.800 1.00 0.43 H new ATOM 0 HB VAL A 125 9.787 3.102 3.902 1.00 0.48 H new ATOM 0 HG11 VAL A 125 11.715 2.276 5.184 1.00 0.81 H new ATOM 0 HG12 VAL A 125 12.083 3.789 4.321 1.00 0.81 H new ATOM 0 HG13 VAL A 125 11.775 3.816 6.074 1.00 0.81 H new ATOM 0 HG21 VAL A 125 9.468 1.830 6.013 1.00 0.47 H new ATOM 0 HG22 VAL A 125 9.418 3.363 6.914 1.00 0.47 H new ATOM 0 HG23 VAL A 125 8.143 2.985 5.732 1.00 0.47 H new ATOM 1904 N ALA A 126 10.558 6.167 2.827 1.00 0.53 N ATOM 1905 CA ALA A 126 11.437 7.089 2.128 1.00 0.63 C ATOM 1906 C ALA A 126 11.177 8.529 2.579 1.00 0.63 C ATOM 1907 O ALA A 126 12.111 9.271 2.868 1.00 0.72 O ATOM 1908 CB ALA A 126 11.249 6.962 0.624 1.00 0.68 C ATOM 0 H ALA A 126 9.808 5.778 2.256 1.00 0.53 H new ATOM 0 HA ALA A 126 12.468 6.834 2.373 1.00 0.63 H new ATOM 0 HB1 ALA A 126 11.914 7.659 0.114 1.00 0.68 H new ATOM 0 HB2 ALA A 126 11.483 5.944 0.313 1.00 0.68 H new ATOM 0 HB3 ALA A 126 10.215 7.192 0.366 1.00 0.68 H new ATOM 1914 N HIS A 127 9.901 8.915 2.647 1.00 0.56 N ATOM 1915 CA HIS A 127 9.509 10.255 3.096 1.00 0.58 C ATOM 1916 C HIS A 127 8.193 10.189 3.870 1.00 0.47 C ATOM 1917 O HIS A 127 7.155 9.905 3.294 1.00 0.44 O ATOM 1918 CB HIS A 127 9.329 11.218 1.910 1.00 0.72 C ATOM 1919 CG HIS A 127 10.590 11.608 1.200 1.00 1.15 C ATOM 1920 ND1 HIS A 127 10.693 11.643 -0.175 1.00 1.70 N ATOM 1921 CD2 HIS A 127 11.794 12.010 1.672 1.00 1.99 C ATOM 1922 CE1 HIS A 127 11.900 12.048 -0.513 1.00 2.29 C ATOM 1923 NE2 HIS A 127 12.589 12.276 0.586 1.00 2.47 N ATOM 0 H HIS A 127 9.116 8.315 2.395 1.00 0.56 H new ATOM 0 HA HIS A 127 10.308 10.627 3.737 1.00 0.58 H new ATOM 0 HB2 HIS A 127 8.654 10.757 1.189 1.00 0.72 H new ATOM 0 HB3 HIS A 127 8.840 12.123 2.270 1.00 0.72 H new ATOM 0 HD2 HIS A 127 12.076 12.104 2.710 1.00 1.99 H new ATOM 0 HE1 HIS A 127 12.264 12.172 -1.522 1.00 2.29 H new ATOM 0 HE2 HIS A 127 13.556 12.598 0.624 1.00 2.47 H new ATOM 1932 N PRO A 128 8.218 10.491 5.173 1.00 0.47 N ATOM 1933 CA PRO A 128 7.025 10.481 6.044 1.00 0.43 C ATOM 1934 C PRO A 128 5.930 11.435 5.569 1.00 0.40 C ATOM 1935 O PRO A 128 4.747 11.160 5.749 1.00 0.39 O ATOM 1936 CB PRO A 128 7.554 10.902 7.407 1.00 0.53 C ATOM 1937 CG PRO A 128 8.844 11.592 7.124 1.00 0.79 C ATOM 1938 CD PRO A 128 9.419 10.899 5.920 1.00 0.60 C ATOM 0 HA PRO A 128 6.551 9.500 6.049 1.00 0.43 H new ATOM 0 HB2 PRO A 128 6.854 11.566 7.914 1.00 0.53 H new ATOM 0 HB3 PRO A 128 7.702 10.039 8.057 1.00 0.53 H new ATOM 0 HG2 PRO A 128 8.686 12.652 6.927 1.00 0.79 H new ATOM 0 HG3 PRO A 128 9.520 11.523 7.976 1.00 0.79 H new ATOM 0 HD2 PRO A 128 10.053 11.565 5.334 1.00 0.60 H new ATOM 0 HD3 PRO A 128 10.031 10.042 6.201 1.00 0.60 H new ATOM 1946 N ASN A 129 6.329 12.590 5.025 1.00 0.44 N ATOM 1947 CA ASN A 129 5.367 13.593 4.563 1.00 0.47 C ATOM 1948 C ASN A 129 4.572 13.046 3.382 1.00 0.39 C ATOM 1949 O ASN A 129 3.585 13.630 2.938 1.00 0.44 O ATOM 1950 CB ASN A 129 6.111 14.866 4.147 1.00 0.57 C ATOM 1951 CG ASN A 129 5.185 16.007 3.758 1.00 1.07 C ATOM 1952 OD1 ASN A 129 5.453 16.739 2.801 1.00 1.84 O ATOM 1953 ND2 ASN A 129 4.123 16.204 4.521 1.00 1.44 N ATOM 0 H ASN A 129 7.306 12.851 4.895 1.00 0.44 H new ATOM 0 HA ASN A 129 4.678 13.829 5.374 1.00 0.47 H new ATOM 0 HB2 ASN A 129 6.749 15.190 4.969 1.00 0.57 H new ATOM 0 HB3 ASN A 129 6.766 14.637 3.306 1.00 0.57 H new ATOM 0 HD21 ASN A 129 3.493 16.982 4.327 1.00 1.44 H new ATOM 0 HD22 ASN A 129 3.934 15.578 5.304 1.00 1.44 H new ATOM 1960 N LEU A 130 5.011 11.907 2.893 1.00 0.32 N ATOM 1961 CA LEU A 130 4.223 11.093 2.024 1.00 0.26 C ATOM 1962 C LEU A 130 3.563 10.087 2.933 1.00 0.24 C ATOM 1963 O LEU A 130 4.236 9.427 3.723 1.00 0.26 O ATOM 1964 CB LEU A 130 5.119 10.345 1.026 1.00 0.30 C ATOM 1965 CG LEU A 130 5.806 11.159 -0.082 1.00 0.58 C ATOM 1966 CD1 LEU A 130 6.411 12.457 0.430 1.00 1.38 C ATOM 1967 CD2 LEU A 130 6.892 10.314 -0.723 1.00 1.28 C ATOM 0 H LEU A 130 5.935 11.525 3.095 1.00 0.32 H new ATOM 0 HA LEU A 130 3.512 11.688 1.452 1.00 0.26 H new ATOM 0 HB2 LEU A 130 5.896 9.833 1.594 1.00 0.30 H new ATOM 0 HB3 LEU A 130 4.514 9.575 0.547 1.00 0.30 H new ATOM 0 HG LEU A 130 5.041 11.426 -0.811 1.00 0.58 H new ATOM 0 HD11 LEU A 130 6.882 12.990 -0.396 1.00 1.38 H new ATOM 0 HD12 LEU A 130 5.627 13.079 0.862 1.00 1.38 H new ATOM 0 HD13 LEU A 130 7.158 12.235 1.192 1.00 1.38 H new ATOM 0 HD21 LEU A 130 7.382 10.887 -1.510 1.00 1.28 H new ATOM 0 HD22 LEU A 130 7.626 10.032 0.032 1.00 1.28 H new ATOM 0 HD23 LEU A 130 6.448 9.415 -1.152 1.00 1.28 H new ATOM 1979 N PHE A 131 2.289 9.910 2.796 1.00 0.23 N ATOM 1980 CA PHE A 131 1.588 9.016 3.688 1.00 0.27 C ATOM 1981 C PHE A 131 0.421 8.442 2.921 1.00 0.26 C ATOM 1982 O PHE A 131 -0.294 9.173 2.232 1.00 0.26 O ATOM 1983 CB PHE A 131 1.188 9.807 4.948 1.00 0.42 C ATOM 1984 CG PHE A 131 0.640 9.024 6.107 1.00 0.36 C ATOM 1985 CD1 PHE A 131 0.811 7.650 6.147 1.00 0.63 C ATOM 1986 CD2 PHE A 131 -0.052 9.634 7.133 1.00 0.65 C ATOM 1987 CE1 PHE A 131 0.302 6.901 7.186 1.00 0.97 C ATOM 1988 CE2 PHE A 131 -0.563 8.891 8.180 1.00 0.96 C ATOM 1989 CZ PHE A 131 -0.360 7.630 8.290 1.00 1.05 C ATOM 0 H PHE A 131 1.710 10.361 2.088 1.00 0.23 H new ATOM 0 HA PHE A 131 2.197 8.179 4.030 1.00 0.27 H new ATOM 0 HB2 PHE A 131 2.064 10.355 5.295 1.00 0.42 H new ATOM 0 HB3 PHE A 131 0.443 10.548 4.659 1.00 0.42 H new ATOM 0 HD1 PHE A 131 1.351 7.158 5.352 1.00 0.63 H new ATOM 0 HD2 PHE A 131 -0.196 10.704 7.118 1.00 0.65 H new ATOM 0 HE1 PHE A 131 0.383 5.824 7.194 1.00 0.97 H new ATOM 0 HE2 PHE A 131 -1.155 9.391 8.933 1.00 0.96 H new ATOM 0 HZ PHE A 131 -0.670 7.104 9.181 1.00 1.05 H new ATOM 1999 N ILE A 132 0.202 7.158 3.072 1.00 0.28 N ATOM 2000 CA ILE A 132 -0.559 6.418 2.103 1.00 0.27 C ATOM 2001 C ILE A 132 -2.019 6.504 2.450 1.00 0.25 C ATOM 2002 O ILE A 132 -2.537 5.798 3.312 1.00 0.32 O ATOM 2003 CB ILE A 132 -0.068 4.954 2.044 1.00 0.34 C ATOM 2004 CG1 ILE A 132 1.364 4.904 1.495 1.00 0.87 C ATOM 2005 CG2 ILE A 132 -0.994 4.096 1.192 1.00 0.80 C ATOM 2006 CD1 ILE A 132 1.503 5.461 0.092 1.00 1.39 C ATOM 0 H ILE A 132 0.542 6.606 3.859 1.00 0.28 H new ATOM 0 HA ILE A 132 -0.417 6.847 1.111 1.00 0.27 H new ATOM 0 HB ILE A 132 -0.077 4.549 3.056 1.00 0.34 H new ATOM 0 HG12 ILE A 132 2.019 5.463 2.164 1.00 0.87 H new ATOM 0 HG13 ILE A 132 1.709 3.870 1.501 1.00 0.87 H new ATOM 0 HG21 ILE A 132 -0.622 3.072 1.169 1.00 0.80 H new ATOM 0 HG22 ILE A 132 -1.997 4.109 1.619 1.00 0.80 H new ATOM 0 HG23 ILE A 132 -1.026 4.493 0.177 1.00 0.80 H new ATOM 0 HD11 ILE A 132 2.543 5.391 -0.226 1.00 1.39 H new ATOM 0 HD12 ILE A 132 0.876 4.888 -0.591 1.00 1.39 H new ATOM 0 HD13 ILE A 132 1.190 6.505 0.082 1.00 1.39 H new ATOM 2018 N ALA A 133 -2.649 7.406 1.743 1.00 0.22 N ATOM 2019 CA ALA A 133 -4.021 7.781 1.977 1.00 0.23 C ATOM 2020 C ALA A 133 -4.979 7.024 1.106 1.00 0.23 C ATOM 2021 O ALA A 133 -4.665 6.652 -0.014 1.00 0.26 O ATOM 2022 CB ALA A 133 -4.180 9.259 1.719 1.00 0.25 C ATOM 0 H ALA A 133 -2.214 7.912 0.972 1.00 0.22 H new ATOM 0 HA ALA A 133 -4.256 7.538 3.013 1.00 0.23 H new ATOM 0 HB1 ALA A 133 -5.216 9.550 1.894 1.00 0.25 H new ATOM 0 HB2 ALA A 133 -3.528 9.818 2.390 1.00 0.25 H new ATOM 0 HB3 ALA A 133 -3.911 9.479 0.686 1.00 0.25 H new ATOM 2028 N THR A 134 -6.155 6.830 1.635 1.00 0.23 N ATOM 2029 CA THR A 134 -7.247 6.251 0.908 1.00 0.25 C ATOM 2030 C THR A 134 -8.508 7.105 1.043 1.00 0.26 C ATOM 2031 O THR A 134 -8.850 7.588 2.121 1.00 0.31 O ATOM 2032 CB THR A 134 -7.464 4.822 1.350 1.00 0.31 C ATOM 2033 OG1 THR A 134 -6.263 4.363 1.967 1.00 0.96 O ATOM 2034 CG2 THR A 134 -7.778 3.968 0.144 1.00 1.01 C ATOM 0 H THR A 134 -6.384 7.074 2.599 1.00 0.23 H new ATOM 0 HA THR A 134 -7.000 6.231 -0.153 1.00 0.25 H new ATOM 0 HB THR A 134 -8.295 4.760 2.053 1.00 0.31 H new ATOM 0 HG1 THR A 134 -6.004 3.501 1.578 1.00 0.96 H new ATOM 0 HG21 THR A 134 -7.935 2.937 0.460 1.00 1.01 H new ATOM 0 HG22 THR A 134 -8.680 4.341 -0.341 1.00 1.01 H new ATOM 0 HG23 THR A 134 -6.945 4.010 -0.558 1.00 1.01 H new ATOM 2042 N LYS A 135 -9.121 7.368 -0.084 1.00 0.28 N ATOM 2043 CA LYS A 135 -10.296 8.237 -0.155 1.00 0.31 C ATOM 2044 C LYS A 135 -11.558 7.419 -0.482 1.00 0.40 C ATOM 2045 O LYS A 135 -11.497 6.460 -1.242 1.00 0.47 O ATOM 2046 CB LYS A 135 -10.080 9.333 -1.212 1.00 0.35 C ATOM 2047 CG LYS A 135 -9.792 10.733 -0.655 1.00 0.69 C ATOM 2048 CD LYS A 135 -8.314 10.974 -0.332 1.00 0.76 C ATOM 2049 CE LYS A 135 -8.040 12.468 -0.107 1.00 0.89 C ATOM 2050 NZ LYS A 135 -6.607 12.772 0.206 1.00 0.63 N ATOM 0 H LYS A 135 -8.828 6.991 -0.986 1.00 0.28 H new ATOM 0 HA LYS A 135 -10.437 8.709 0.818 1.00 0.31 H new ATOM 0 HB2 LYS A 135 -9.250 9.037 -1.854 1.00 0.35 H new ATOM 0 HB3 LYS A 135 -10.967 9.386 -1.843 1.00 0.35 H new ATOM 0 HG2 LYS A 135 -10.123 11.478 -1.379 1.00 0.69 H new ATOM 0 HG3 LYS A 135 -10.382 10.883 0.249 1.00 0.69 H new ATOM 0 HD2 LYS A 135 -8.036 10.411 0.559 1.00 0.76 H new ATOM 0 HD3 LYS A 135 -7.694 10.605 -1.149 1.00 0.76 H new ATOM 0 HE2 LYS A 135 -8.334 13.022 -0.999 1.00 0.89 H new ATOM 0 HE3 LYS A 135 -8.666 12.825 0.711 1.00 0.89 H new ATOM 0 HZ1 LYS A 135 -6.307 13.615 -0.324 1.00 0.63 H new ATOM 0 HZ2 LYS A 135 -6.505 12.950 1.226 1.00 0.63 H new ATOM 0 HZ3 LYS A 135 -6.013 11.963 -0.066 1.00 0.63 H new ATOM 2064 N GLN A 136 -12.704 7.834 0.074 1.00 0.49 N ATOM 2065 CA GLN A 136 -13.998 7.160 -0.149 1.00 0.63 C ATOM 2066 C GLN A 136 -14.553 7.522 -1.498 1.00 0.58 C ATOM 2067 O GLN A 136 -15.279 6.759 -2.129 1.00 0.69 O ATOM 2068 CB GLN A 136 -15.068 7.593 0.870 1.00 0.82 C ATOM 2069 CG GLN A 136 -14.581 7.925 2.271 1.00 1.05 C ATOM 2070 CD GLN A 136 -13.782 9.214 2.341 1.00 1.14 C ATOM 2071 OE1 GLN A 136 -12.465 9.085 2.355 1.00 1.75 O flip ATOM 2072 NE2 GLN A 136 -14.338 10.306 2.440 1.00 1.20 N flip ATOM 0 H GLN A 136 -12.764 8.644 0.690 1.00 0.49 H new ATOM 0 HA GLN A 136 -13.794 6.093 -0.057 1.00 0.63 H new ATOM 0 HB2 GLN A 136 -15.582 8.468 0.472 1.00 0.82 H new ATOM 0 HB3 GLN A 136 -15.807 6.796 0.947 1.00 0.82 H new ATOM 0 HG2 GLN A 136 -15.440 8.002 2.938 1.00 1.05 H new ATOM 0 HG3 GLN A 136 -13.965 7.104 2.638 1.00 1.05 H new ATOM 0 HE21 GLN A 136 -15.356 10.363 2.425 1.00 1.20 H new ATOM 0 HE22 GLN A 136 -13.781 11.155 2.537 1.00 1.20 H new ATOM 2081 N ASP A 137 -14.223 8.718 -1.893 1.00 0.48 N ATOM 2082 CA ASP A 137 -14.842 9.343 -3.064 1.00 0.52 C ATOM 2083 C ASP A 137 -13.809 9.773 -4.096 1.00 0.47 C ATOM 2084 O ASP A 137 -14.072 9.762 -5.300 1.00 0.56 O ATOM 2085 CB ASP A 137 -15.664 10.558 -2.617 1.00 0.63 C ATOM 2086 CG ASP A 137 -16.227 11.358 -3.776 1.00 1.34 C ATOM 2087 OD1 ASP A 137 -17.282 10.971 -4.314 1.00 1.43 O ATOM 2088 OD2 ASP A 137 -15.628 12.394 -4.140 1.00 2.21 O ATOM 0 H ASP A 137 -13.524 9.297 -1.428 1.00 0.48 H new ATOM 0 HA ASP A 137 -15.488 8.603 -3.536 1.00 0.52 H new ATOM 0 HB2 ASP A 137 -16.485 10.220 -1.984 1.00 0.63 H new ATOM 0 HB3 ASP A 137 -15.037 11.208 -2.006 1.00 0.63 H new ATOM 2093 N TYR A 138 -12.637 10.138 -3.628 1.00 0.39 N ATOM 2094 CA TYR A 138 -11.579 10.582 -4.511 1.00 0.38 C ATOM 2095 C TYR A 138 -10.676 9.397 -4.821 1.00 0.32 C ATOM 2096 O TYR A 138 -10.888 8.300 -4.299 1.00 0.31 O ATOM 2097 CB TYR A 138 -10.790 11.721 -3.848 1.00 0.44 C ATOM 2098 CG TYR A 138 -10.029 12.615 -4.810 1.00 0.82 C ATOM 2099 CD1 TYR A 138 -10.689 13.587 -5.551 1.00 0.99 C ATOM 2100 CD2 TYR A 138 -8.650 12.500 -4.961 1.00 1.41 C ATOM 2101 CE1 TYR A 138 -10.000 14.419 -6.414 1.00 1.45 C ATOM 2102 CE2 TYR A 138 -7.955 13.326 -5.825 1.00 1.98 C ATOM 2103 CZ TYR A 138 -8.633 14.286 -6.548 1.00 1.94 C ATOM 2104 OH TYR A 138 -7.945 15.118 -7.407 1.00 2.50 O ATOM 0 H TYR A 138 -12.391 10.137 -2.638 1.00 0.39 H new ATOM 0 HA TYR A 138 -11.997 10.964 -5.442 1.00 0.38 H new ATOM 0 HB2 TYR A 138 -11.482 12.336 -3.273 1.00 0.44 H new ATOM 0 HB3 TYR A 138 -10.083 11.289 -3.139 1.00 0.44 H new ATOM 0 HD1 TYR A 138 -11.759 13.695 -5.451 1.00 0.99 H new ATOM 0 HD2 TYR A 138 -8.114 11.753 -4.394 1.00 1.41 H new ATOM 0 HE1 TYR A 138 -10.530 15.170 -6.981 1.00 1.45 H new ATOM 0 HE2 TYR A 138 -6.886 13.220 -5.934 1.00 1.98 H new ATOM 0 HH TYR A 138 -6.991 14.895 -7.384 1.00 2.50 H new ATOM 2114 N TRP A 139 -9.683 9.607 -5.657 1.00 0.34 N ATOM 2115 CA TRP A 139 -8.699 8.580 -5.925 1.00 0.33 C ATOM 2116 C TRP A 139 -7.804 8.404 -4.709 1.00 0.30 C ATOM 2117 O TRP A 139 -7.767 9.265 -3.823 1.00 0.32 O ATOM 2118 CB TRP A 139 -7.858 8.937 -7.153 1.00 0.40 C ATOM 2119 CG TRP A 139 -8.644 8.950 -8.427 1.00 1.19 C ATOM 2120 CD1 TRP A 139 -8.992 7.869 -9.186 1.00 2.40 C ATOM 2121 CD2 TRP A 139 -9.174 10.099 -9.097 1.00 1.47 C ATOM 2122 NE1 TRP A 139 -9.711 8.275 -10.283 1.00 3.09 N ATOM 2123 CE2 TRP A 139 -9.836 9.639 -10.251 1.00 2.48 C ATOM 2124 CE3 TRP A 139 -9.157 11.469 -8.832 1.00 1.75 C ATOM 2125 CZ2 TRP A 139 -10.473 10.503 -11.138 1.00 2.99 C ATOM 2126 CZ3 TRP A 139 -9.790 12.326 -9.713 1.00 2.37 C ATOM 2127 CH2 TRP A 139 -10.440 11.840 -10.853 1.00 2.74 C ATOM 0 H TRP A 139 -9.535 10.480 -6.163 1.00 0.34 H new ATOM 0 HA TRP A 139 -9.218 7.644 -6.132 1.00 0.33 H new ATOM 0 HB2 TRP A 139 -7.407 9.918 -7.003 1.00 0.40 H new ATOM 0 HB3 TRP A 139 -7.041 8.221 -7.246 1.00 0.40 H new ATOM 0 HD1 TRP A 139 -8.739 6.844 -8.957 1.00 2.40 H new ATOM 0 HE1 TRP A 139 -10.090 7.661 -11.004 1.00 3.09 H new ATOM 0 HE3 TRP A 139 -8.658 11.853 -7.954 1.00 1.75 H new ATOM 0 HZ2 TRP A 139 -10.975 10.131 -12.019 1.00 2.99 H new ATOM 0 HZ3 TRP A 139 -9.783 13.388 -9.518 1.00 2.37 H new ATOM 0 HH2 TRP A 139 -10.926 12.535 -11.522 1.00 2.74 H new ATOM 2138 N VAL A 140 -7.101 7.288 -4.659 1.00 0.30 N ATOM 2139 CA VAL A 140 -6.186 7.019 -3.568 1.00 0.33 C ATOM 2140 C VAL A 140 -5.028 8.012 -3.640 1.00 0.30 C ATOM 2141 O VAL A 140 -4.139 7.909 -4.482 1.00 0.32 O ATOM 2142 CB VAL A 140 -5.667 5.552 -3.633 1.00 0.44 C ATOM 2143 CG1 VAL A 140 -5.142 5.210 -5.021 1.00 1.58 C ATOM 2144 CG2 VAL A 140 -4.594 5.298 -2.588 1.00 1.28 C ATOM 0 H VAL A 140 -7.147 6.552 -5.364 1.00 0.30 H new ATOM 0 HA VAL A 140 -6.706 7.139 -2.617 1.00 0.33 H new ATOM 0 HB VAL A 140 -6.515 4.902 -3.418 1.00 0.44 H new ATOM 0 HG11 VAL A 140 -4.787 4.179 -5.032 1.00 1.58 H new ATOM 0 HG12 VAL A 140 -5.942 5.326 -5.752 1.00 1.58 H new ATOM 0 HG13 VAL A 140 -4.320 5.879 -5.274 1.00 1.58 H new ATOM 0 HG21 VAL A 140 -4.253 4.265 -2.660 1.00 1.28 H new ATOM 0 HG22 VAL A 140 -3.753 5.970 -2.759 1.00 1.28 H new ATOM 0 HG23 VAL A 140 -5.005 5.476 -1.594 1.00 1.28 H new ATOM 2154 N CYS A 141 -5.072 9.006 -2.768 1.00 0.30 N ATOM 2155 CA CYS A 141 -4.099 10.075 -2.819 1.00 0.26 C ATOM 2156 C CYS A 141 -3.063 9.881 -1.722 1.00 0.25 C ATOM 2157 O CYS A 141 -2.925 8.795 -1.165 1.00 0.29 O ATOM 2158 CB CYS A 141 -4.826 11.423 -2.651 1.00 0.33 C ATOM 2159 SG CYS A 141 -3.838 12.889 -3.061 1.00 1.21 S ATOM 0 H CYS A 141 -5.765 9.092 -2.025 1.00 0.30 H new ATOM 0 HA CYS A 141 -3.584 10.066 -3.780 1.00 0.26 H new ATOM 0 HB2 CYS A 141 -5.717 11.418 -3.279 1.00 0.33 H new ATOM 0 HB3 CYS A 141 -5.164 11.509 -1.618 1.00 0.33 H new ATOM 0 HG CYS A 141 -4.162 13.867 -2.268 1.00 1.21 H new ATOM 2165 N LEU A 142 -2.357 10.938 -1.414 1.00 0.21 N ATOM 2166 CA LEU A 142 -1.322 10.921 -0.431 1.00 0.23 C ATOM 2167 C LEU A 142 -1.448 12.202 0.345 1.00 0.24 C ATOM 2168 O LEU A 142 -2.044 13.140 -0.155 1.00 0.23 O ATOM 2169 CB LEU A 142 -0.004 10.810 -1.212 1.00 0.21 C ATOM 2170 CG LEU A 142 1.260 10.497 -0.436 1.00 0.22 C ATOM 2171 CD1 LEU A 142 1.366 9.006 -0.181 1.00 0.23 C ATOM 2172 CD2 LEU A 142 2.474 10.979 -1.204 1.00 0.25 C ATOM 0 H LEU A 142 -2.493 11.849 -1.852 1.00 0.21 H new ATOM 0 HA LEU A 142 -1.373 10.095 0.279 1.00 0.23 H new ATOM 0 HB2 LEU A 142 -0.130 10.038 -1.971 1.00 0.21 H new ATOM 0 HB3 LEU A 142 0.152 11.752 -1.739 1.00 0.21 H new ATOM 0 HG LEU A 142 1.218 11.014 0.523 1.00 0.22 H new ATOM 0 HD11 LEU A 142 2.279 8.796 0.377 1.00 0.23 H new ATOM 0 HD12 LEU A 142 0.503 8.673 0.396 1.00 0.23 H new ATOM 0 HD13 LEU A 142 1.393 8.475 -1.133 1.00 0.23 H new ATOM 0 HD21 LEU A 142 3.377 10.750 -0.638 1.00 0.25 H new ATOM 0 HD22 LEU A 142 2.515 10.478 -2.171 1.00 0.25 H new ATOM 0 HD23 LEU A 142 2.405 12.056 -1.355 1.00 0.25 H new ATOM 2184 N ALA A 143 -1.014 12.210 1.579 1.00 0.34 N ATOM 2185 CA ALA A 143 -0.670 13.433 2.259 1.00 0.33 C ATOM 2186 C ALA A 143 0.014 13.065 3.538 1.00 0.60 C ATOM 2187 O ALA A 143 -0.236 12.005 4.073 1.00 0.91 O ATOM 2188 CB ALA A 143 -1.906 14.275 2.550 1.00 0.38 C ATOM 0 H ALA A 143 -0.889 11.368 2.142 1.00 0.34 H new ATOM 0 HA ALA A 143 -0.015 14.031 1.625 1.00 0.33 H new ATOM 0 HB1 ALA A 143 -1.610 15.190 3.063 1.00 0.38 H new ATOM 0 HB2 ALA A 143 -2.402 14.529 1.613 1.00 0.38 H new ATOM 0 HB3 ALA A 143 -2.591 13.710 3.182 1.00 0.38 H new ATOM 2194 N GLY A 144 0.812 13.945 4.066 1.00 0.63 N ATOM 2195 CA GLY A 144 1.288 13.759 5.409 1.00 0.93 C ATOM 2196 C GLY A 144 0.403 14.538 6.326 1.00 0.93 C ATOM 2197 O GLY A 144 0.831 15.024 7.372 1.00 1.13 O ATOM 0 H GLY A 144 1.145 14.788 3.598 1.00 0.63 H new ATOM 0 HA2 GLY A 144 1.275 12.702 5.675 1.00 0.93 H new ATOM 0 HA3 GLY A 144 2.320 14.098 5.497 1.00 0.93 H new ATOM 2201 N GLY A 145 -0.851 14.638 5.927 1.00 0.94 N ATOM 2202 CA GLY A 145 -1.718 15.615 6.545 1.00 1.38 C ATOM 2203 C GLY A 145 -3.180 15.489 6.174 1.00 1.61 C ATOM 2204 O GLY A 145 -3.624 14.432 5.727 1.00 1.48 O ATOM 0 H GLY A 145 -1.281 14.070 5.197 1.00 0.94 H new ATOM 0 HA2 GLY A 145 -1.624 15.531 7.628 1.00 1.38 H new ATOM 0 HA3 GLY A 145 -1.372 16.612 6.271 1.00 1.38 H new ATOM 2208 N PRO A 146 -3.922 16.597 6.404 1.00 2.13 N ATOM 2209 CA PRO A 146 -5.373 16.763 6.265 1.00 2.27 C ATOM 2210 C PRO A 146 -6.145 15.691 5.479 1.00 1.59 C ATOM 2211 O PRO A 146 -5.690 15.205 4.445 1.00 2.15 O ATOM 2212 CB PRO A 146 -5.429 18.110 5.549 1.00 3.57 C ATOM 2213 CG PRO A 146 -4.266 18.885 6.100 1.00 3.98 C ATOM 2214 CD PRO A 146 -3.356 17.893 6.793 1.00 2.93 C ATOM 0 HA PRO A 146 -5.866 16.684 7.234 1.00 2.27 H new ATOM 0 HB2 PRO A 146 -5.347 17.988 4.469 1.00 3.57 H new ATOM 0 HB3 PRO A 146 -6.372 18.621 5.741 1.00 3.57 H new ATOM 0 HG2 PRO A 146 -3.735 19.402 5.301 1.00 3.98 H new ATOM 0 HG3 PRO A 146 -4.608 19.647 6.800 1.00 3.98 H new ATOM 0 HD2 PRO A 146 -2.322 17.996 6.465 1.00 2.93 H new ATOM 0 HD3 PRO A 146 -3.362 18.027 7.875 1.00 2.93 H new ATOM 2222 N PRO A 147 -7.428 15.529 5.894 1.00 1.33 N ATOM 2223 CA PRO A 147 -8.393 14.453 5.621 1.00 1.05 C ATOM 2224 C PRO A 147 -8.032 13.237 4.745 1.00 0.70 C ATOM 2225 O PRO A 147 -8.947 12.528 4.315 1.00 0.86 O ATOM 2226 CB PRO A 147 -9.524 15.280 5.034 1.00 1.57 C ATOM 2227 CG PRO A 147 -9.516 16.530 5.882 1.00 2.12 C ATOM 2228 CD PRO A 147 -8.185 16.546 6.623 1.00 2.10 C ATOM 0 HA PRO A 147 -8.565 13.877 6.530 1.00 1.05 H new ATOM 0 HB2 PRO A 147 -9.353 15.507 3.982 1.00 1.57 H new ATOM 0 HB3 PRO A 147 -10.479 14.758 5.096 1.00 1.57 H new ATOM 0 HG2 PRO A 147 -9.625 17.420 5.262 1.00 2.12 H new ATOM 0 HG3 PRO A 147 -10.350 16.527 6.584 1.00 2.12 H new ATOM 0 HD2 PRO A 147 -7.704 17.523 6.580 1.00 2.10 H new ATOM 0 HD3 PRO A 147 -8.300 16.293 7.677 1.00 2.10 H new ATOM 2236 N SER A 148 -6.770 12.955 4.459 1.00 0.49 N ATOM 2237 CA SER A 148 -6.456 11.720 3.802 1.00 0.43 C ATOM 2238 C SER A 148 -6.655 10.570 4.783 1.00 0.37 C ATOM 2239 O SER A 148 -6.116 10.590 5.890 1.00 0.37 O ATOM 2240 CB SER A 148 -5.018 11.778 3.301 1.00 0.57 C ATOM 2241 OG SER A 148 -4.903 12.656 2.193 1.00 0.64 O ATOM 0 H SER A 148 -5.973 13.555 4.670 1.00 0.49 H new ATOM 0 HA SER A 148 -7.113 11.559 2.947 1.00 0.43 H new ATOM 0 HB2 SER A 148 -4.362 12.112 4.105 1.00 0.57 H new ATOM 0 HB3 SER A 148 -4.688 10.779 3.015 1.00 0.57 H new ATOM 0 HG SER A 148 -4.015 12.560 1.790 1.00 0.64 H new ATOM 2247 N ILE A 149 -7.427 9.571 4.376 1.00 0.37 N ATOM 2248 CA ILE A 149 -7.697 8.431 5.234 1.00 0.32 C ATOM 2249 C ILE A 149 -6.683 7.354 4.983 1.00 0.26 C ATOM 2250 O ILE A 149 -6.819 6.533 4.084 1.00 0.29 O ATOM 2251 CB ILE A 149 -9.116 7.873 5.073 1.00 0.35 C ATOM 2252 CG1 ILE A 149 -10.116 9.031 5.081 1.00 0.57 C ATOM 2253 CG2 ILE A 149 -9.406 6.890 6.196 1.00 0.56 C ATOM 2254 CD1 ILE A 149 -10.093 9.857 6.353 1.00 1.21 C ATOM 0 H ILE A 149 -7.875 9.529 3.460 1.00 0.37 H new ATOM 0 HA ILE A 149 -7.621 8.784 6.262 1.00 0.32 H new ATOM 0 HB ILE A 149 -9.207 7.343 4.125 1.00 0.35 H new ATOM 0 HG12 ILE A 149 -9.908 9.683 4.233 1.00 0.57 H new ATOM 0 HG13 ILE A 149 -11.120 8.632 4.937 1.00 0.57 H new ATOM 0 HG21 ILE A 149 -10.415 6.494 6.081 1.00 0.56 H new ATOM 0 HG22 ILE A 149 -8.688 6.071 6.157 1.00 0.56 H new ATOM 0 HG23 ILE A 149 -9.324 7.400 7.156 1.00 0.56 H new ATOM 0 HD11 ILE A 149 -10.829 10.657 6.280 1.00 1.21 H new ATOM 0 HD12 ILE A 149 -10.332 9.220 7.205 1.00 1.21 H new ATOM 0 HD13 ILE A 149 -9.101 10.288 6.489 1.00 1.21 H new ATOM 2266 N THR A 150 -5.657 7.372 5.777 1.00 0.24 N ATOM 2267 CA THR A 150 -4.519 6.531 5.538 1.00 0.25 C ATOM 2268 C THR A 150 -4.731 5.231 6.278 1.00 0.26 C ATOM 2269 O THR A 150 -3.817 4.641 6.834 1.00 0.34 O ATOM 2270 CB THR A 150 -3.223 7.239 6.017 1.00 0.28 C ATOM 2271 OG1 THR A 150 -3.436 7.805 7.315 1.00 0.53 O ATOM 2272 CG2 THR A 150 -2.826 8.359 5.070 1.00 0.69 C ATOM 0 H THR A 150 -5.582 7.965 6.604 1.00 0.24 H new ATOM 0 HA THR A 150 -4.410 6.330 4.472 1.00 0.25 H new ATOM 0 HB THR A 150 -2.428 6.494 6.045 1.00 0.28 H new ATOM 0 HG1 THR A 150 -2.573 8.048 7.711 1.00 0.53 H new ATOM 0 HG21 THR A 150 -1.915 8.836 5.432 1.00 0.69 H new ATOM 0 HG22 THR A 150 -2.651 7.949 4.075 1.00 0.69 H new ATOM 0 HG23 THR A 150 -3.627 9.096 5.022 1.00 0.69 H new ATOM 2280 N ASP A 151 -5.970 4.804 6.290 1.00 0.25 N ATOM 2281 CA ASP A 151 -6.327 3.566 6.843 1.00 0.25 C ATOM 2282 C ASP A 151 -6.428 2.557 5.742 1.00 0.26 C ATOM 2283 O ASP A 151 -6.769 2.875 4.613 1.00 0.27 O ATOM 2284 CB ASP A 151 -7.621 3.693 7.589 1.00 0.29 C ATOM 2285 CG ASP A 151 -7.505 4.546 8.839 1.00 0.79 C ATOM 2286 OD1 ASP A 151 -7.140 4.006 9.902 1.00 1.25 O ATOM 2287 OD2 ASP A 151 -7.802 5.755 8.770 1.00 1.07 O ATOM 0 H ASP A 151 -6.754 5.331 5.905 1.00 0.25 H new ATOM 0 HA ASP A 151 -5.568 3.236 7.553 1.00 0.25 H new ATOM 0 HB2 ASP A 151 -8.373 4.126 6.929 1.00 0.29 H new ATOM 0 HB3 ASP A 151 -7.973 2.699 7.866 1.00 0.29 H new ATOM 2292 N PHE A 152 -6.069 1.378 6.070 1.00 0.27 N ATOM 2293 CA PHE A 152 -6.441 0.216 5.335 1.00 0.27 C ATOM 2294 C PHE A 152 -6.787 -0.852 6.345 1.00 0.28 C ATOM 2295 O PHE A 152 -6.519 -0.690 7.521 1.00 0.30 O ATOM 2296 CB PHE A 152 -5.327 -0.261 4.432 1.00 0.30 C ATOM 2297 CG PHE A 152 -5.051 0.616 3.247 1.00 1.46 C ATOM 2298 CD1 PHE A 152 -5.922 0.635 2.171 1.00 2.12 C ATOM 2299 CD2 PHE A 152 -3.941 1.441 3.219 1.00 2.11 C ATOM 2300 CE1 PHE A 152 -5.690 1.456 1.087 1.00 3.35 C ATOM 2301 CE2 PHE A 152 -3.707 2.268 2.141 1.00 3.33 C ATOM 2302 CZ PHE A 152 -4.499 2.201 1.036 1.00 3.93 C ATOM 0 H PHE A 152 -5.488 1.179 6.884 1.00 0.27 H new ATOM 0 HA PHE A 152 -7.288 0.444 4.688 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -4.414 -0.348 5.021 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -5.572 -1.261 4.075 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -6.795 -0.001 2.180 1.00 2.12 H new ATOM 0 HD2 PHE A 152 -3.251 1.437 4.050 1.00 2.11 H new ATOM 0 HE1 PHE A 152 -6.414 1.525 0.288 1.00 3.35 H new ATOM 0 HE2 PHE A 152 -2.890 2.974 2.174 1.00 3.33 H new ATOM 0 HZ PHE A 152 -4.215 2.715 0.129 1.00 3.93 H new ATOM 2312 N GLN A 153 -7.349 -1.928 5.873 1.00 0.30 N ATOM 2313 CA GLN A 153 -7.916 -2.972 6.701 1.00 0.33 C ATOM 2314 C GLN A 153 -7.949 -4.222 5.862 1.00 0.38 C ATOM 2315 O GLN A 153 -8.164 -4.137 4.651 1.00 0.44 O ATOM 2316 CB GLN A 153 -9.355 -2.664 7.149 1.00 0.44 C ATOM 2317 CG GLN A 153 -9.603 -1.264 7.676 1.00 0.70 C ATOM 2318 CD GLN A 153 -10.935 -1.154 8.392 1.00 0.63 C ATOM 2319 OE1 GLN A 153 -10.921 -1.334 9.700 1.00 1.27 O flip ATOM 2320 NE2 GLN A 153 -11.965 -0.897 7.778 1.00 1.20 N flip ATOM 0 H GLN A 153 -7.431 -2.115 4.874 1.00 0.30 H new ATOM 0 HA GLN A 153 -7.308 -3.070 7.601 1.00 0.33 H new ATOM 0 HB2 GLN A 153 -10.022 -2.836 6.304 1.00 0.44 H new ATOM 0 HB3 GLN A 153 -9.633 -3.377 7.925 1.00 0.44 H new ATOM 0 HG2 GLN A 153 -8.800 -0.986 8.359 1.00 0.70 H new ATOM 0 HG3 GLN A 153 -9.577 -0.555 6.848 1.00 0.70 H new ATOM 0 HE21 GLN A 153 -11.937 -0.764 6.767 1.00 1.20 H new ATOM 0 HE22 GLN A 153 -12.850 -0.816 8.278 1.00 1.20 H new ATOM 2329 N ILE A 154 -7.715 -5.366 6.457 1.00 0.43 N ATOM 2330 CA ILE A 154 -7.752 -6.579 5.691 1.00 0.45 C ATOM 2331 C ILE A 154 -9.129 -7.198 5.830 1.00 0.44 C ATOM 2332 O ILE A 154 -9.550 -7.634 6.904 1.00 0.49 O ATOM 2333 CB ILE A 154 -6.650 -7.565 6.134 1.00 0.56 C ATOM 2334 CG1 ILE A 154 -6.652 -7.738 7.658 1.00 1.14 C ATOM 2335 CG2 ILE A 154 -5.292 -7.075 5.651 1.00 1.53 C ATOM 2336 CD1 ILE A 154 -5.583 -8.680 8.163 1.00 1.63 C ATOM 0 H ILE A 154 -7.502 -5.479 7.448 1.00 0.43 H new ATOM 0 HA ILE A 154 -7.559 -6.347 4.644 1.00 0.45 H new ATOM 0 HB ILE A 154 -6.853 -8.538 5.687 1.00 0.56 H new ATOM 0 HG12 ILE A 154 -6.515 -6.763 8.126 1.00 1.14 H new ATOM 0 HG13 ILE A 154 -7.628 -8.108 7.972 1.00 1.14 H new ATOM 0 HG21 ILE A 154 -4.519 -7.775 5.967 1.00 1.53 H new ATOM 0 HG22 ILE A 154 -5.296 -7.006 4.563 1.00 1.53 H new ATOM 0 HG23 ILE A 154 -5.087 -6.093 6.076 1.00 1.53 H new ATOM 0 HD11 ILE A 154 -5.645 -8.753 9.249 1.00 1.63 H new ATOM 0 HD12 ILE A 154 -5.731 -9.667 7.724 1.00 1.63 H new ATOM 0 HD13 ILE A 154 -4.601 -8.301 7.881 1.00 1.63 H new ATOM 2348 N LEU A 155 -9.824 -7.204 4.713 1.00 0.43 N ATOM 2349 CA LEU A 155 -11.208 -7.626 4.646 1.00 0.44 C ATOM 2350 C LEU A 155 -11.288 -8.953 3.913 1.00 0.57 C ATOM 2351 O LEU A 155 -10.821 -9.067 2.791 1.00 0.67 O ATOM 2352 CB LEU A 155 -12.085 -6.573 3.938 1.00 0.53 C ATOM 2353 CG LEU A 155 -12.196 -5.182 4.604 1.00 0.46 C ATOM 2354 CD1 LEU A 155 -13.609 -4.653 4.441 1.00 0.82 C ATOM 2355 CD2 LEU A 155 -11.835 -5.228 6.082 1.00 0.73 C ATOM 0 H LEU A 155 -9.440 -6.912 3.814 1.00 0.43 H new ATOM 0 HA LEU A 155 -11.587 -7.739 5.662 1.00 0.44 H new ATOM 0 HB2 LEU A 155 -11.698 -6.434 2.929 1.00 0.53 H new ATOM 0 HB3 LEU A 155 -13.091 -6.982 3.840 1.00 0.53 H new ATOM 0 HG LEU A 155 -11.486 -4.519 4.110 1.00 0.46 H new ATOM 0 HD11 LEU A 155 -13.687 -3.672 4.911 1.00 0.82 H new ATOM 0 HD12 LEU A 155 -13.845 -4.567 3.380 1.00 0.82 H new ATOM 0 HD13 LEU A 155 -14.311 -5.339 4.915 1.00 0.82 H new ATOM 0 HD21 LEU A 155 -11.926 -4.230 6.510 1.00 0.73 H new ATOM 0 HD22 LEU A 155 -12.510 -5.909 6.600 1.00 0.73 H new ATOM 0 HD23 LEU A 155 -10.809 -5.579 6.195 1.00 0.73 H new ATOM 2367 N GLU A 156 -11.820 -9.957 4.574 1.00 0.67 N ATOM 2368 CA GLU A 156 -11.914 -11.296 4.008 1.00 0.89 C ATOM 2369 C GLU A 156 -13.211 -11.422 3.205 1.00 0.99 C ATOM 2370 O GLU A 156 -14.150 -10.671 3.430 1.00 0.90 O ATOM 2371 CB GLU A 156 -11.860 -12.321 5.143 1.00 1.04 C ATOM 2372 CG GLU A 156 -11.677 -13.759 4.688 1.00 1.58 C ATOM 2373 CD GLU A 156 -11.480 -14.698 5.857 1.00 2.05 C ATOM 2374 OE1 GLU A 156 -12.431 -14.865 6.651 1.00 2.57 O ATOM 2375 OE2 GLU A 156 -10.370 -15.248 6.005 1.00 2.53 O ATOM 0 H GLU A 156 -12.200 -9.875 5.517 1.00 0.67 H new ATOM 0 HA GLU A 156 -11.080 -11.482 3.332 1.00 0.89 H new ATOM 0 HB2 GLU A 156 -11.041 -12.059 5.813 1.00 1.04 H new ATOM 0 HB3 GLU A 156 -12.781 -12.251 5.722 1.00 1.04 H new ATOM 0 HG2 GLU A 156 -12.549 -14.072 4.113 1.00 1.58 H new ATOM 0 HG3 GLU A 156 -10.817 -13.823 4.022 1.00 1.58 H new ATOM 2382 N ASN A 157 -13.269 -12.377 2.288 1.00 1.23 N ATOM 2383 CA ASN A 157 -14.414 -12.507 1.378 1.00 1.41 C ATOM 2384 C ASN A 157 -15.528 -13.294 2.065 1.00 1.66 C ATOM 2385 O ASN A 157 -15.266 -14.026 3.021 1.00 1.82 O ATOM 2386 CB ASN A 157 -13.969 -13.257 0.108 1.00 1.68 C ATOM 2387 CG ASN A 157 -15.004 -13.248 -1.008 1.00 2.14 C ATOM 2388 OD1 ASN A 157 -15.693 -12.257 -1.221 1.00 2.67 O ATOM 2389 ND2 ASN A 157 -15.124 -14.355 -1.728 1.00 2.44 N ATOM 0 H ASN A 157 -12.540 -13.077 2.149 1.00 1.23 H new ATOM 0 HA ASN A 157 -14.782 -11.516 1.112 1.00 1.41 H new ATOM 0 HB2 ASN A 157 -13.046 -12.810 -0.262 1.00 1.68 H new ATOM 0 HB3 ASN A 157 -13.740 -14.290 0.369 1.00 1.68 H new ATOM 0 HD21 ASN A 157 -15.806 -14.399 -2.486 1.00 2.44 H new ATOM 0 HD22 ASN A 157 -14.535 -15.162 -1.524 1.00 2.44 H new ATOM 2396 N GLN A 158 -16.758 -13.152 1.590 1.00 1.77 N ATOM 2397 CA GLN A 158 -17.893 -13.818 2.210 1.00 2.06 C ATOM 2398 C GLN A 158 -17.805 -15.328 1.999 1.00 2.49 C ATOM 2399 O GLN A 158 -17.816 -16.104 2.958 1.00 2.73 O ATOM 2400 CB GLN A 158 -19.197 -13.273 1.621 1.00 2.08 C ATOM 2401 CG GLN A 158 -20.445 -13.775 2.326 1.00 2.54 C ATOM 2402 CD GLN A 158 -21.723 -13.311 1.655 1.00 2.68 C ATOM 2403 OE1 GLN A 158 -21.771 -12.244 1.042 1.00 3.15 O ATOM 2404 NE2 GLN A 158 -22.775 -14.108 1.772 1.00 2.98 N ATOM 0 H GLN A 158 -16.994 -12.582 0.778 1.00 1.77 H new ATOM 0 HA GLN A 158 -17.877 -13.620 3.282 1.00 2.06 H new ATOM 0 HB2 GLN A 158 -19.178 -12.184 1.667 1.00 2.08 H new ATOM 0 HB3 GLN A 158 -19.251 -13.547 0.567 1.00 2.08 H new ATOM 0 HG2 GLN A 158 -20.429 -14.865 2.353 1.00 2.54 H new ATOM 0 HG3 GLN A 158 -20.437 -13.430 3.360 1.00 2.54 H new ATOM 0 HE21 GLN A 158 -22.696 -14.984 2.288 1.00 2.98 H new ATOM 0 HE22 GLN A 158 -23.664 -13.845 1.346 1.00 2.98 H new ATOM 2413 N ALA A 159 -17.680 -15.739 0.750 1.00 2.67 N ATOM 2414 CA ALA A 159 -17.516 -17.142 0.430 1.00 3.14 C ATOM 2415 C ALA A 159 -16.094 -17.406 -0.043 1.00 3.38 C ATOM 2416 O ALA A 159 -15.862 -17.408 -1.267 1.00 3.55 O ATOM 2417 CB ALA A 159 -18.528 -17.569 -0.623 1.00 3.37 C ATOM 2418 OXT ALA A 159 -15.210 -17.593 0.818 1.00 3.78 O ATOM 0 H ALA A 159 -17.689 -15.118 -0.059 1.00 2.67 H new ATOM 0 HA ALA A 159 -17.695 -17.733 1.328 1.00 3.14 H new ATOM 0 HB1 ALA A 159 -18.391 -18.626 -0.852 1.00 3.37 H new ATOM 0 HB2 ALA A 159 -19.537 -17.408 -0.244 1.00 3.37 H new ATOM 0 HB3 ALA A 159 -18.382 -16.980 -1.528 1.00 3.37 H new TER 2424 ALA A 159