USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 853 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 71 GLN :FLIP amide:sc= 0.863 F(o=1,f=2.4) USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= 1.51 F(o=1!,f=2.4) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 173:sc= 0.58 (180deg=0.371) USER MOD Set 2.2: A 69 TYR OH : rot 152:sc= 1.14 USER MOD Set 3.1: A 39 SER OG : rot 94:sc= 2.17 USER MOD Set 3.2: A 63 SER OG : rot 134:sc= 1.27 USER MOD Set 3.3: A 65 THR OG1 : rot 97:sc= 2.25 USER MOD Set 4.1: A 32 LYS NZ :NH3+ -169:sc= 1.21 (180deg=0) USER MOD Set 4.2: A 36 GLN : amide:sc= 1.08 K(o=2.3,f=-7.8!) USER MOD Set 5.1: A 30 THR OG1 : rot 110:sc= 1.26 USER MOD Set 5.2: A 91 SER OG : rot -31:sc= 1.39 USER MOD Set 6.1: A 24 THR OG1 : rot 169:sc= 1.06 USER MOD Set 6.2: A 33 SER OG : rot 67:sc= 1.71 USER MOD Set 7.1: A 11 ASN : amide:sc= 1.06 K(o=2.3,f=-0.85) USER MOD Set 7.2: A 79 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 2.35 (180deg=2.04) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.593 K(o=0.59,f=-4.8!) USER MOD Single : A 9 SER OG : rot 38:sc= 0.87 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0.569 (180deg=0.469!) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 1.82 (180deg=1.72) USER MOD Single : A 20 SER OG : rot -53:sc= 1 USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.19) USER MOD Single : A 23 TYR OH : rot 130:sc= -0.0605 USER MOD Single : A 27 TYR OH : rot 39:sc= 1.16 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 152:sc= 1.27 USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= 1.17 (180deg=1.07) USER MOD Single : A 40 LYS NZ :NH3+ -135:sc= 2.51 (180deg=1.6) USER MOD Single : A 47 ASN : amide:sc= 0.784 K(o=0.78,f=-5.7!) USER MOD Single : A 48 THR OG1 : rot 90:sc= 1.19 USER MOD Single : A 54 SER OG : rot 97:sc= 1.12 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -179:sc= 2.19 USER MOD Single : A 61 MET CE :methyl 167:sc= -0.0214 (180deg=-0.368) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 2.13 (180deg=1.88) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 1.5 (180deg=1.23) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 1.1 K(o=1.1,f=-0.027) USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 2.46 (180deg=2.31) USER MOD Single : A 98 SER OG : rot 71:sc= 1.16 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 68:sc= 0.966 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 14.007 4.867 -16.145 1.00 0.00 N ATOM 2 CA ALA A 2 14.046 3.838 -17.206 1.00 0.00 C ATOM 3 C ALA A 2 14.921 4.353 -18.365 1.00 0.00 C ATOM 4 O ALA A 2 15.353 5.503 -18.281 1.00 0.00 O ATOM 5 CB ALA A 2 12.613 3.468 -17.620 1.00 0.00 C ATOM 0 HA ALA A 2 14.503 2.915 -16.850 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.645 2.709 -18.402 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.074 3.077 -16.757 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.102 4.355 -17.995 1.00 0.00 H new ATOM 13 N PRO A 3 15.260 3.549 -19.396 1.00 0.00 N ATOM 14 CA PRO A 3 16.158 3.968 -20.478 1.00 0.00 C ATOM 15 C PRO A 3 15.734 5.285 -21.144 1.00 0.00 C ATOM 16 O PRO A 3 14.578 5.442 -21.545 1.00 0.00 O ATOM 17 CB PRO A 3 16.184 2.807 -21.477 1.00 0.00 C ATOM 18 CG PRO A 3 15.868 1.594 -20.606 1.00 0.00 C ATOM 19 CD PRO A 3 14.882 2.156 -19.584 1.00 0.00 C ATOM 0 HA PRO A 3 17.151 4.180 -20.081 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.445 2.939 -22.268 1.00 0.00 H new ATOM 0 HB3 PRO A 3 17.156 2.713 -21.961 1.00 0.00 H new ATOM 0 HG2 PRO A 3 15.429 0.783 -21.187 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.763 1.196 -20.128 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.856 2.074 -19.943 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.936 1.606 -18.645 1.00 0.00 H new ATOM 27 N VAL A 4 16.675 6.231 -21.266 1.00 0.00 N ATOM 28 CA VAL A 4 16.418 7.629 -21.652 1.00 0.00 C ATOM 29 C VAL A 4 15.611 7.783 -22.947 1.00 0.00 C ATOM 30 O VAL A 4 14.737 8.640 -23.010 1.00 0.00 O ATOM 31 CB VAL A 4 17.735 8.436 -21.676 1.00 0.00 C ATOM 32 CG1 VAL A 4 18.706 8.006 -22.786 1.00 0.00 C ATOM 33 CG2 VAL A 4 17.476 9.943 -21.787 1.00 0.00 C ATOM 0 H VAL A 4 17.663 6.042 -21.095 1.00 0.00 H new ATOM 0 HA VAL A 4 15.772 8.050 -20.881 1.00 0.00 H new ATOM 0 HB VAL A 4 18.212 8.215 -20.721 1.00 0.00 H new ATOM 0 HG11 VAL A 4 19.607 8.618 -22.739 1.00 0.00 H new ATOM 0 HG12 VAL A 4 18.972 6.958 -22.651 1.00 0.00 H new ATOM 0 HG13 VAL A 4 18.229 8.137 -23.757 1.00 0.00 H new ATOM 0 HG21 VAL A 4 18.427 10.476 -21.801 1.00 0.00 H new ATOM 0 HG22 VAL A 4 16.930 10.152 -22.707 1.00 0.00 H new ATOM 0 HG23 VAL A 4 16.887 10.275 -20.932 1.00 0.00 H new ATOM 43 N LYS A 5 15.870 6.936 -23.956 1.00 0.00 N ATOM 44 CA LYS A 5 15.147 6.891 -25.237 1.00 0.00 C ATOM 45 C LYS A 5 13.952 5.927 -25.276 1.00 0.00 C ATOM 46 O LYS A 5 13.310 5.837 -26.320 1.00 0.00 O ATOM 47 CB LYS A 5 16.145 6.634 -26.386 1.00 0.00 C ATOM 48 CG LYS A 5 16.722 7.944 -26.951 1.00 0.00 C ATOM 49 CD LYS A 5 15.941 8.545 -28.138 1.00 0.00 C ATOM 50 CE LYS A 5 14.487 8.956 -27.852 1.00 0.00 C ATOM 51 NZ LYS A 5 13.515 7.869 -28.113 1.00 0.00 N ATOM 0 H LYS A 5 16.614 6.240 -23.900 1.00 0.00 H new ATOM 0 HA LYS A 5 14.686 7.870 -25.366 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.959 6.005 -26.026 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.646 6.084 -27.184 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.759 8.682 -26.150 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.750 7.764 -27.266 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.481 9.421 -28.496 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.939 7.818 -28.950 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.402 9.269 -26.812 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.232 9.819 -28.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.548 8.230 -27.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.630 7.527 -29.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.683 7.086 -27.450 1.00 0.00 H new ATOM 65 N SER A 6 13.642 5.224 -24.185 1.00 0.00 N ATOM 66 CA SER A 6 12.344 4.567 -23.993 1.00 0.00 C ATOM 67 C SER A 6 11.357 5.507 -23.295 1.00 0.00 C ATOM 68 O SER A 6 10.188 5.539 -23.678 1.00 0.00 O ATOM 69 CB SER A 6 12.496 3.282 -23.167 1.00 0.00 C ATOM 70 OG SER A 6 13.355 2.368 -23.818 1.00 0.00 O ATOM 0 H SER A 6 14.286 5.093 -23.405 1.00 0.00 H new ATOM 0 HA SER A 6 11.957 4.310 -24.979 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.893 3.523 -22.181 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.519 2.824 -23.014 1.00 0.00 H new ATOM 0 HG SER A 6 13.441 1.556 -23.276 1.00 0.00 H new ATOM 76 N GLN A 7 11.838 6.267 -22.296 1.00 0.00 N ATOM 77 CA GLN A 7 11.074 7.134 -21.389 1.00 0.00 C ATOM 78 C GLN A 7 10.000 7.982 -22.082 1.00 0.00 C ATOM 79 O GLN A 7 8.840 7.940 -21.672 1.00 0.00 O ATOM 80 CB GLN A 7 12.035 8.055 -20.615 1.00 0.00 C ATOM 81 CG GLN A 7 12.923 7.343 -19.571 1.00 0.00 C ATOM 82 CD GLN A 7 12.542 7.641 -18.122 1.00 0.00 C ATOM 83 OE1 GLN A 7 12.341 6.737 -17.320 1.00 0.00 O ATOM 84 NE2 GLN A 7 12.447 8.902 -17.745 1.00 0.00 N ATOM 0 H GLN A 7 12.836 6.292 -22.089 1.00 0.00 H new ATOM 0 HA GLN A 7 10.544 6.464 -20.712 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.680 8.566 -21.330 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.450 8.823 -20.109 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.868 6.267 -19.736 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.960 7.637 -19.731 1.00 0.00 H new ATOM 0 HE21 GLN A 7 12.616 9.650 -18.418 1.00 0.00 H new ATOM 0 HE22 GLN A 7 12.205 9.129 -16.781 1.00 0.00 H new ATOM 93 N GLU A 8 10.353 8.773 -23.103 1.00 0.00 N ATOM 94 CA GLU A 8 9.385 9.664 -23.749 1.00 0.00 C ATOM 95 C GLU A 8 8.402 8.899 -24.646 1.00 0.00 C ATOM 96 O GLU A 8 7.232 9.266 -24.729 1.00 0.00 O ATOM 97 CB GLU A 8 10.122 10.800 -24.488 1.00 0.00 C ATOM 98 CG GLU A 8 10.618 10.510 -25.916 1.00 0.00 C ATOM 99 CD GLU A 8 11.405 9.206 -26.066 1.00 0.00 C ATOM 100 OE1 GLU A 8 12.240 8.877 -25.198 1.00 0.00 O ATOM 101 OE2 GLU A 8 11.152 8.486 -27.061 1.00 0.00 O ATOM 0 H GLU A 8 11.293 8.814 -23.496 1.00 0.00 H new ATOM 0 HA GLU A 8 8.768 10.123 -22.977 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.456 11.662 -24.531 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.982 11.092 -23.885 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.758 10.479 -26.586 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.247 11.338 -26.243 1.00 0.00 H new ATOM 108 N SER A 9 8.864 7.810 -25.272 1.00 0.00 N ATOM 109 CA SER A 9 8.112 6.995 -26.223 1.00 0.00 C ATOM 110 C SER A 9 7.009 6.200 -25.525 1.00 0.00 C ATOM 111 O SER A 9 5.871 6.217 -25.999 1.00 0.00 O ATOM 112 CB SER A 9 9.058 6.055 -26.981 1.00 0.00 C ATOM 113 OG SER A 9 9.782 6.759 -27.973 1.00 0.00 O ATOM 0 H SER A 9 9.811 7.462 -25.121 1.00 0.00 H new ATOM 0 HA SER A 9 7.635 7.665 -26.938 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.752 5.589 -26.281 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.485 5.252 -27.445 1.00 0.00 H new ATOM 0 HG SER A 9 10.022 7.647 -27.634 1.00 0.00 H new ATOM 119 N ILE A 10 7.315 5.554 -24.384 1.00 0.00 N ATOM 120 CA ILE A 10 6.278 4.948 -23.533 1.00 0.00 C ATOM 121 C ILE A 10 5.261 6.012 -23.126 1.00 0.00 C ATOM 122 O ILE A 10 4.076 5.828 -23.378 1.00 0.00 O ATOM 123 CB ILE A 10 6.859 4.149 -22.336 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.780 3.363 -21.547 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.739 4.951 -21.365 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.936 4.122 -20.514 1.00 0.00 C ATOM 0 H ILE A 10 8.266 5.440 -24.033 1.00 0.00 H new ATOM 0 HA ILE A 10 5.753 4.193 -24.118 1.00 0.00 H new ATOM 0 HB ILE A 10 7.524 3.441 -22.830 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.098 2.917 -22.271 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.278 2.542 -21.031 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.091 4.296 -20.568 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.594 5.361 -21.903 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.157 5.766 -20.935 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.228 3.436 -20.048 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.589 4.544 -19.750 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.391 4.925 -21.009 1.00 0.00 H new ATOM 138 N ASN A 11 5.712 7.133 -22.552 1.00 0.00 N ATOM 139 CA ASN A 11 4.855 8.196 -22.034 1.00 0.00 C ATOM 140 C ASN A 11 3.906 8.740 -23.120 1.00 0.00 C ATOM 141 O ASN A 11 2.688 8.728 -22.945 1.00 0.00 O ATOM 142 CB ASN A 11 5.779 9.270 -21.432 1.00 0.00 C ATOM 143 CG ASN A 11 5.130 10.154 -20.383 1.00 0.00 C ATOM 144 OD1 ASN A 11 3.962 10.043 -20.046 1.00 0.00 O ATOM 145 ND2 ASN A 11 5.917 11.028 -19.796 1.00 0.00 N ATOM 0 H ASN A 11 6.706 7.327 -22.434 1.00 0.00 H new ATOM 0 HA ASN A 11 4.190 7.820 -21.256 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.643 8.777 -20.987 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.152 9.901 -22.238 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.553 11.622 -19.051 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.891 11.112 -20.086 1.00 0.00 H new ATOM 152 N GLN A 12 4.463 9.139 -24.271 1.00 0.00 N ATOM 153 CA GLN A 12 3.721 9.613 -25.437 1.00 0.00 C ATOM 154 C GLN A 12 2.703 8.577 -25.931 1.00 0.00 C ATOM 155 O GLN A 12 1.515 8.897 -26.031 1.00 0.00 O ATOM 156 CB GLN A 12 4.719 10.001 -26.543 1.00 0.00 C ATOM 157 CG GLN A 12 4.034 10.630 -27.766 1.00 0.00 C ATOM 158 CD GLN A 12 5.038 10.934 -28.872 1.00 0.00 C ATOM 159 OE1 GLN A 12 5.097 10.260 -29.887 1.00 0.00 O ATOM 160 NE2 GLN A 12 5.861 11.955 -28.722 1.00 0.00 N ATOM 0 H GLN A 12 5.473 9.139 -24.416 1.00 0.00 H new ATOM 0 HA GLN A 12 3.142 10.492 -25.152 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.448 10.703 -26.139 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.270 9.115 -26.856 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.268 9.953 -28.144 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.528 11.549 -27.469 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.819 12.524 -27.877 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.539 12.175 -29.452 1.00 0.00 H new ATOM 169 N LYS A 13 3.137 7.344 -26.252 1.00 0.00 N ATOM 170 CA LYS A 13 2.214 6.341 -26.796 1.00 0.00 C ATOM 171 C LYS A 13 1.178 5.886 -25.754 1.00 0.00 C ATOM 172 O LYS A 13 0.032 5.626 -26.113 1.00 0.00 O ATOM 173 CB LYS A 13 2.977 5.185 -27.472 1.00 0.00 C ATOM 174 CG LYS A 13 2.032 4.409 -28.410 1.00 0.00 C ATOM 175 CD LYS A 13 2.708 3.316 -29.253 1.00 0.00 C ATOM 176 CE LYS A 13 2.924 2.034 -28.443 1.00 0.00 C ATOM 177 NZ LYS A 13 3.293 0.889 -29.303 1.00 0.00 N ATOM 0 H LYS A 13 4.100 7.026 -26.146 1.00 0.00 H new ATOM 0 HA LYS A 13 1.630 6.811 -27.587 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.823 5.577 -28.037 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.383 4.514 -26.715 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.246 3.950 -27.811 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.548 5.118 -29.082 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.093 3.097 -30.126 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.667 3.680 -29.622 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.708 2.200 -27.705 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.014 1.795 -27.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.347 0.025 -28.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.574 0.766 -30.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.218 1.069 -29.743 1.00 0.00 H new ATOM 191 N LEU A 14 1.524 5.867 -24.460 1.00 0.00 N ATOM 192 CA LEU A 14 0.571 5.578 -23.389 1.00 0.00 C ATOM 193 C LEU A 14 -0.457 6.703 -23.223 1.00 0.00 C ATOM 194 O LEU A 14 -1.632 6.398 -23.044 1.00 0.00 O ATOM 195 CB LEU A 14 1.306 5.257 -22.081 1.00 0.00 C ATOM 196 CG LEU A 14 0.397 4.502 -21.086 1.00 0.00 C ATOM 197 CD1 LEU A 14 1.197 3.442 -20.338 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.221 5.448 -20.061 1.00 0.00 C ATOM 0 H LEU A 14 2.471 6.052 -24.130 1.00 0.00 H new ATOM 0 HA LEU A 14 0.005 4.690 -23.670 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.188 4.654 -22.298 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.656 6.182 -21.624 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.399 4.038 -21.669 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.544 2.918 -19.640 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.613 2.730 -21.051 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.008 3.919 -19.787 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.854 4.881 -19.378 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.571 5.941 -19.497 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.822 6.198 -20.574 1.00 0.00 H new ATOM 210 N ALA A 15 -0.068 7.981 -23.343 1.00 0.00 N ATOM 211 CA ALA A 15 -1.023 9.093 -23.400 1.00 0.00 C ATOM 212 C ALA A 15 -1.954 8.978 -24.618 1.00 0.00 C ATOM 213 O ALA A 15 -3.176 9.096 -24.486 1.00 0.00 O ATOM 214 CB ALA A 15 -0.278 10.426 -23.426 1.00 0.00 C ATOM 0 H ALA A 15 0.909 8.269 -23.403 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.643 9.047 -22.505 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.997 11.244 -23.468 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.328 10.522 -22.525 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.368 10.465 -24.303 1.00 0.00 H new ATOM 220 N LEU A 16 -1.372 8.694 -25.795 1.00 0.00 N ATOM 221 CA LEU A 16 -2.109 8.403 -27.023 1.00 0.00 C ATOM 222 C LEU A 16 -3.096 7.251 -26.833 1.00 0.00 C ATOM 223 O LEU A 16 -4.159 7.311 -27.433 1.00 0.00 O ATOM 224 CB LEU A 16 -1.115 8.146 -28.173 1.00 0.00 C ATOM 225 CG LEU A 16 -1.732 7.753 -29.537 1.00 0.00 C ATOM 226 CD1 LEU A 16 -0.728 8.070 -30.649 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.027 6.251 -29.676 1.00 0.00 C ATOM 0 H LEU A 16 -0.360 8.661 -25.915 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.715 9.270 -27.286 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.516 9.045 -28.315 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.433 7.354 -27.865 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.665 8.312 -29.607 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.155 7.796 -31.614 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.502 9.136 -30.642 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.189 7.504 -30.484 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.458 6.054 -30.658 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.101 5.687 -29.566 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.732 5.946 -28.903 1.00 0.00 H new ATOM 239 N VAL A 17 -2.790 6.240 -26.014 1.00 0.00 N ATOM 240 CA VAL A 17 -3.762 5.227 -25.586 1.00 0.00 C ATOM 241 C VAL A 17 -4.790 5.808 -24.612 1.00 0.00 C ATOM 242 O VAL A 17 -5.976 5.774 -24.922 1.00 0.00 O ATOM 243 CB VAL A 17 -3.043 3.974 -25.050 1.00 0.00 C ATOM 244 CG1 VAL A 17 -3.946 3.027 -24.249 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.482 3.222 -26.259 1.00 0.00 C ATOM 0 H VAL A 17 -1.857 6.100 -25.627 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.336 4.905 -26.455 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.269 4.306 -24.358 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.364 2.171 -23.908 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.354 3.555 -23.387 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.763 2.681 -24.882 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.963 2.325 -25.921 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.299 2.940 -26.923 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.784 3.865 -26.795 1.00 0.00 H new ATOM 255 N ILE A 18 -4.367 6.356 -23.464 1.00 0.00 N ATOM 256 CA ILE A 18 -5.219 6.902 -22.390 1.00 0.00 C ATOM 257 C ILE A 18 -6.319 7.859 -22.888 1.00 0.00 C ATOM 258 O ILE A 18 -7.401 7.879 -22.304 1.00 0.00 O ATOM 259 CB ILE A 18 -4.323 7.482 -21.261 1.00 0.00 C ATOM 260 CG1 ILE A 18 -3.859 6.314 -20.352 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.076 8.540 -20.454 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.192 6.717 -19.027 1.00 0.00 C ATOM 0 H ILE A 18 -3.374 6.436 -23.245 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.797 6.082 -21.964 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.453 7.973 -21.698 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.724 5.690 -20.126 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.159 5.697 -20.915 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.427 8.930 -19.670 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.378 9.354 -21.113 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.961 8.092 -20.002 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.909 5.821 -18.475 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.302 7.312 -19.234 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.891 7.305 -18.432 1.00 0.00 H new ATOM 274 N LYS A 19 -6.098 8.599 -23.984 1.00 0.00 N ATOM 275 CA LYS A 19 -7.131 9.449 -24.607 1.00 0.00 C ATOM 276 C LYS A 19 -8.411 8.717 -25.048 1.00 0.00 C ATOM 277 O LYS A 19 -9.438 9.370 -25.211 1.00 0.00 O ATOM 278 CB LYS A 19 -6.515 10.252 -25.756 1.00 0.00 C ATOM 279 CG LYS A 19 -6.193 9.442 -27.016 1.00 0.00 C ATOM 280 CD LYS A 19 -7.217 9.537 -28.156 1.00 0.00 C ATOM 281 CE LYS A 19 -6.610 9.098 -29.500 1.00 0.00 C ATOM 282 NZ LYS A 19 -5.950 7.774 -29.421 1.00 0.00 N ATOM 0 H LYS A 19 -5.199 8.627 -24.466 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.476 10.122 -23.822 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.200 11.056 -26.025 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.598 10.721 -25.400 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.225 9.768 -27.396 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.089 8.394 -26.734 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.080 8.912 -27.924 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.578 10.562 -28.237 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.395 9.064 -30.255 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.885 9.843 -29.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.693 7.456 -30.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.091 7.848 -28.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.601 7.087 -28.991 1.00 0.00 H new ATOM 296 N SER A 20 -8.368 7.391 -25.225 1.00 0.00 N ATOM 297 CA SER A 20 -9.583 6.559 -25.374 1.00 0.00 C ATOM 298 C SER A 20 -9.563 5.168 -24.709 1.00 0.00 C ATOM 299 O SER A 20 -10.625 4.640 -24.376 1.00 0.00 O ATOM 300 CB SER A 20 -9.968 6.425 -26.854 1.00 0.00 C ATOM 301 OG SER A 20 -9.294 5.366 -27.504 1.00 0.00 O ATOM 0 H SER A 20 -7.498 6.860 -25.270 1.00 0.00 H new ATOM 0 HA SER A 20 -10.338 7.112 -24.815 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.044 6.266 -26.931 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.746 7.360 -27.368 1.00 0.00 H new ATOM 0 HG SER A 20 -8.328 5.462 -27.369 1.00 0.00 H new ATOM 307 N GLY A 21 -8.387 4.570 -24.489 1.00 0.00 N ATOM 308 CA GLY A 21 -8.222 3.234 -23.917 1.00 0.00 C ATOM 309 C GLY A 21 -8.359 3.218 -22.391 1.00 0.00 C ATOM 310 O GLY A 21 -7.954 4.155 -21.704 1.00 0.00 O ATOM 0 H GLY A 21 -7.498 5.018 -24.712 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.965 2.564 -24.351 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.242 2.845 -24.193 1.00 0.00 H new ATOM 314 N LYS A 22 -8.909 2.124 -21.854 1.00 0.00 N ATOM 315 CA LYS A 22 -9.283 2.006 -20.436 1.00 0.00 C ATOM 316 C LYS A 22 -8.061 1.709 -19.564 1.00 0.00 C ATOM 317 O LYS A 22 -7.414 0.669 -19.729 1.00 0.00 O ATOM 318 CB LYS A 22 -10.350 0.918 -20.237 1.00 0.00 C ATOM 319 CG LYS A 22 -11.779 1.314 -20.651 1.00 0.00 C ATOM 320 CD LYS A 22 -11.950 1.792 -22.105 1.00 0.00 C ATOM 321 CE LYS A 22 -13.425 1.799 -22.520 1.00 0.00 C ATOM 322 NZ LYS A 22 -13.883 0.452 -22.940 1.00 0.00 N ATOM 0 H LYS A 22 -9.110 1.284 -22.396 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.701 2.964 -20.128 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.056 0.036 -20.806 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.361 0.631 -19.186 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.433 0.457 -20.491 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.123 2.106 -19.986 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.536 2.794 -22.211 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.385 1.141 -22.773 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.036 2.148 -21.687 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.569 2.504 -23.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.923 0.427 -22.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.520 0.243 -23.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.527 -0.260 -22.270 1.00 0.00 H new ATOM 336 N TYR A 23 -7.788 2.613 -18.618 1.00 0.00 N ATOM 337 CA TYR A 23 -6.691 2.538 -17.654 1.00 0.00 C ATOM 338 C TYR A 23 -7.171 2.539 -16.186 1.00 0.00 C ATOM 339 O TYR A 23 -8.345 2.771 -15.902 1.00 0.00 O ATOM 340 CB TYR A 23 -5.746 3.717 -17.941 1.00 0.00 C ATOM 341 CG TYR A 23 -6.356 5.080 -17.664 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.093 5.749 -18.661 1.00 0.00 C ATOM 343 CD2 TYR A 23 -6.210 5.662 -16.393 1.00 0.00 C ATOM 344 CE1 TYR A 23 -7.689 6.995 -18.388 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.804 6.907 -16.114 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.538 7.581 -17.113 1.00 0.00 C ATOM 347 OH TYR A 23 -8.098 8.793 -16.846 1.00 0.00 O ATOM 0 H TYR A 23 -8.353 3.454 -18.500 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.172 1.587 -17.776 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.846 3.603 -17.336 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.436 3.675 -18.985 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.201 5.304 -19.639 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.641 5.153 -15.629 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.260 7.501 -19.152 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.698 7.347 -15.134 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.609 8.740 -16.012 1.00 0.00 H new ATOM 357 N THR A 24 -6.244 2.297 -15.250 1.00 0.00 N ATOM 358 CA THR A 24 -6.443 2.306 -13.787 1.00 0.00 C ATOM 359 C THR A 24 -5.199 2.883 -13.079 1.00 0.00 C ATOM 360 O THR A 24 -4.102 2.797 -13.636 1.00 0.00 O ATOM 361 CB THR A 24 -6.786 0.876 -13.326 1.00 0.00 C ATOM 362 OG1 THR A 24 -7.169 0.827 -11.975 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.645 -0.120 -13.524 1.00 0.00 C ATOM 0 H THR A 24 -5.281 2.077 -15.503 1.00 0.00 H new ATOM 0 HA THR A 24 -7.276 2.955 -13.517 1.00 0.00 H new ATOM 0 HB THR A 24 -7.621 0.587 -13.964 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.550 -0.053 -11.775 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.958 -1.105 -13.178 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.387 -0.172 -14.582 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.775 0.206 -12.954 1.00 0.00 H new ATOM 371 N LEU A 25 -5.355 3.493 -11.886 1.00 0.00 N ATOM 372 CA LEU A 25 -4.339 4.344 -11.228 1.00 0.00 C ATOM 373 C LEU A 25 -4.225 4.121 -9.711 1.00 0.00 C ATOM 374 O LEU A 25 -5.207 4.286 -8.982 1.00 0.00 O ATOM 375 CB LEU A 25 -4.670 5.837 -11.438 1.00 0.00 C ATOM 376 CG LEU A 25 -4.722 6.345 -12.885 1.00 0.00 C ATOM 377 CD1 LEU A 25 -5.073 7.832 -12.884 1.00 0.00 C ATOM 378 CD2 LEU A 25 -3.388 6.201 -13.603 1.00 0.00 C ATOM 0 H LEU A 25 -6.212 3.406 -11.339 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.394 4.062 -11.692 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.636 6.038 -10.974 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.929 6.427 -10.899 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.469 5.744 -13.403 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.111 8.198 -13.910 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.044 7.976 -12.411 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.314 8.385 -12.330 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.481 6.575 -14.622 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.626 6.774 -13.074 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.099 5.150 -13.627 1.00 0.00 H new ATOM 390 N GLY A 26 -3.012 3.835 -9.223 1.00 0.00 N ATOM 391 CA GLY A 26 -2.703 3.675 -7.797 1.00 0.00 C ATOM 392 C GLY A 26 -2.911 2.243 -7.294 1.00 0.00 C ATOM 393 O GLY A 26 -3.736 1.507 -7.835 1.00 0.00 O ATOM 0 H GLY A 26 -2.198 3.705 -9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.668 3.969 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.330 4.352 -7.217 1.00 0.00 H new ATOM 397 N TYR A 27 -2.162 1.853 -6.248 1.00 0.00 N ATOM 398 CA TYR A 27 -1.966 0.455 -5.827 1.00 0.00 C ATOM 399 C TYR A 27 -3.284 -0.318 -5.680 1.00 0.00 C ATOM 400 O TYR A 27 -3.500 -1.291 -6.394 1.00 0.00 O ATOM 401 CB TYR A 27 -1.106 0.388 -4.552 1.00 0.00 C ATOM 402 CG TYR A 27 -0.562 -1.003 -4.261 1.00 0.00 C ATOM 403 CD1 TYR A 27 -1.315 -1.928 -3.504 1.00 0.00 C ATOM 404 CD2 TYR A 27 0.692 -1.386 -4.782 1.00 0.00 C ATOM 405 CE1 TYR A 27 -0.837 -3.239 -3.296 1.00 0.00 C ATOM 406 CE2 TYR A 27 1.170 -2.688 -4.564 1.00 0.00 C ATOM 407 CZ TYR A 27 0.401 -3.630 -3.853 1.00 0.00 C ATOM 408 OH TYR A 27 0.883 -4.897 -3.733 1.00 0.00 O ATOM 0 H TYR A 27 -1.664 2.518 -5.657 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.423 -0.049 -6.627 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.272 1.083 -4.649 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.702 0.722 -3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.263 -1.630 -3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.282 -0.680 -5.347 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.415 -3.941 -2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.140 -2.971 -4.946 1.00 0.00 H new ATOM 0 HH TYR A 27 0.145 -5.537 -3.816 1.00 0.00 H new ATOM 418 N LYS A 28 -4.190 0.136 -4.802 1.00 0.00 N ATOM 419 CA LYS A 28 -5.511 -0.475 -4.581 1.00 0.00 C ATOM 420 C LYS A 28 -6.294 -0.656 -5.889 1.00 0.00 C ATOM 421 O LYS A 28 -6.817 -1.740 -6.148 1.00 0.00 O ATOM 422 CB LYS A 28 -6.282 0.377 -3.556 1.00 0.00 C ATOM 423 CG LYS A 28 -7.647 -0.230 -3.184 1.00 0.00 C ATOM 424 CD LYS A 28 -8.361 0.552 -2.070 1.00 0.00 C ATOM 425 CE LYS A 28 -8.779 1.957 -2.527 1.00 0.00 C ATOM 426 NZ LYS A 28 -9.499 2.689 -1.458 1.00 0.00 N ATOM 0 H LYS A 28 -4.023 0.953 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.377 -1.481 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.680 0.486 -2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.432 1.378 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.282 -0.255 -4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.506 -1.262 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.243 -0.001 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.702 0.634 -1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.895 2.522 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.417 1.879 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.765 3.633 -1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.356 2.162 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.881 2.786 -0.627 1.00 0.00 H new ATOM 440 N SER A 29 -6.351 0.396 -6.711 1.00 0.00 N ATOM 441 CA SER A 29 -7.047 0.445 -7.996 1.00 0.00 C ATOM 442 C SER A 29 -6.526 -0.609 -8.963 1.00 0.00 C ATOM 443 O SER A 29 -7.311 -1.424 -9.458 1.00 0.00 O ATOM 444 CB SER A 29 -6.847 1.810 -8.659 1.00 0.00 C ATOM 445 OG SER A 29 -6.895 2.874 -7.733 1.00 0.00 O ATOM 0 H SER A 29 -5.890 1.278 -6.486 1.00 0.00 H new ATOM 0 HA SER A 29 -8.101 0.261 -7.786 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.886 1.823 -9.173 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.616 1.958 -9.417 1.00 0.00 H new ATOM 0 HG SER A 29 -6.346 3.617 -8.060 1.00 0.00 H new ATOM 451 N THR A 30 -5.211 -0.593 -9.238 1.00 0.00 N ATOM 452 CA THR A 30 -4.579 -1.610 -10.077 1.00 0.00 C ATOM 453 C THR A 30 -4.789 -2.982 -9.455 1.00 0.00 C ATOM 454 O THR A 30 -5.449 -3.785 -10.093 1.00 0.00 O ATOM 455 CB THR A 30 -3.134 -1.284 -10.481 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.675 -2.298 -11.339 1.00 0.00 O ATOM 457 CG2 THR A 30 -2.159 -1.171 -9.318 1.00 0.00 C ATOM 0 H THR A 30 -4.568 0.117 -8.888 1.00 0.00 H new ATOM 0 HA THR A 30 -5.078 -1.618 -11.046 1.00 0.00 H new ATOM 0 HB THR A 30 -3.164 -0.304 -10.956 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.584 -1.942 -12.247 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.164 -0.939 -9.698 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.485 -0.377 -8.646 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.129 -2.116 -8.776 1.00 0.00 H new ATOM 465 N VAL A 31 -4.408 -3.252 -8.198 1.00 0.00 N ATOM 466 CA VAL A 31 -4.592 -4.576 -7.578 1.00 0.00 C ATOM 467 C VAL A 31 -6.022 -5.116 -7.731 1.00 0.00 C ATOM 468 O VAL A 31 -6.181 -6.257 -8.168 1.00 0.00 O ATOM 469 CB VAL A 31 -4.108 -4.581 -6.115 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.443 -5.902 -5.408 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.585 -4.400 -6.094 1.00 0.00 C ATOM 0 H VAL A 31 -3.967 -2.566 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.961 -5.274 -8.128 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.614 -3.769 -5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.085 -5.865 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.522 -6.053 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.960 -6.727 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.233 -4.402 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.114 -5.217 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.325 -3.452 -6.564 1.00 0.00 H new ATOM 481 N LYS A 32 -7.057 -4.302 -7.470 1.00 0.00 N ATOM 482 CA LYS A 32 -8.457 -4.642 -7.772 1.00 0.00 C ATOM 483 C LYS A 32 -8.663 -4.989 -9.256 1.00 0.00 C ATOM 484 O LYS A 32 -9.196 -6.047 -9.578 1.00 0.00 O ATOM 485 CB LYS A 32 -9.359 -3.480 -7.318 1.00 0.00 C ATOM 486 CG LYS A 32 -10.851 -3.797 -7.495 1.00 0.00 C ATOM 487 CD LYS A 32 -11.722 -2.658 -6.943 1.00 0.00 C ATOM 488 CE LYS A 32 -13.221 -2.959 -7.070 1.00 0.00 C ATOM 489 NZ LYS A 32 -13.684 -2.943 -8.478 1.00 0.00 N ATOM 0 H LYS A 32 -6.946 -3.383 -7.041 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.731 -5.542 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.159 -3.256 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.110 -2.585 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.072 -3.950 -8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.093 -4.727 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.475 -2.490 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.492 -1.736 -7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.431 -3.935 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.786 -2.224 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.723 -2.965 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.345 -2.078 -8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.309 -3.775 -8.976 1.00 0.00 H new ATOM 503 N SER A 33 -8.220 -4.105 -10.152 1.00 0.00 N ATOM 504 CA SER A 33 -8.302 -4.239 -11.613 1.00 0.00 C ATOM 505 C SER A 33 -7.600 -5.502 -12.145 1.00 0.00 C ATOM 506 O SER A 33 -8.149 -6.194 -13.000 1.00 0.00 O ATOM 507 CB SER A 33 -7.691 -3.003 -12.295 1.00 0.00 C ATOM 508 OG SER A 33 -8.182 -1.773 -11.780 1.00 0.00 O ATOM 0 H SER A 33 -7.772 -3.234 -9.868 1.00 0.00 H new ATOM 0 HA SER A 33 -9.362 -4.326 -11.853 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.608 -3.031 -12.177 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.897 -3.048 -13.364 1.00 0.00 H new ATOM 0 HG SER A 33 -7.881 -1.662 -10.854 1.00 0.00 H new ATOM 514 N LEU A 34 -6.401 -5.817 -11.638 1.00 0.00 N ATOM 515 CA LEU A 34 -5.616 -7.006 -11.986 1.00 0.00 C ATOM 516 C LEU A 34 -6.265 -8.276 -11.420 1.00 0.00 C ATOM 517 O LEU A 34 -6.368 -9.271 -12.134 1.00 0.00 O ATOM 518 CB LEU A 34 -4.162 -6.882 -11.488 1.00 0.00 C ATOM 519 CG LEU A 34 -3.402 -5.592 -11.856 1.00 0.00 C ATOM 520 CD1 LEU A 34 -2.006 -5.583 -11.245 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.323 -5.307 -13.346 1.00 0.00 C ATOM 0 H LEU A 34 -5.935 -5.228 -10.948 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.598 -7.080 -13.073 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.167 -6.973 -10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.598 -7.730 -11.877 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.998 -4.786 -11.428 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.494 -4.661 -11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.084 -5.643 -10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.441 -6.438 -11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.771 -4.381 -13.511 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.811 -6.129 -13.847 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.330 -5.206 -13.751 1.00 0.00 H new ATOM 533 N ARG A 35 -6.774 -8.245 -10.178 1.00 0.00 N ATOM 534 CA ARG A 35 -7.580 -9.337 -9.602 1.00 0.00 C ATOM 535 C ARG A 35 -8.894 -9.568 -10.369 1.00 0.00 C ATOM 536 O ARG A 35 -9.354 -10.702 -10.438 1.00 0.00 O ATOM 537 CB ARG A 35 -7.824 -9.076 -8.106 1.00 0.00 C ATOM 538 CG ARG A 35 -6.551 -9.313 -7.267 1.00 0.00 C ATOM 539 CD ARG A 35 -6.679 -8.673 -5.880 1.00 0.00 C ATOM 540 NE ARG A 35 -5.526 -8.984 -5.011 1.00 0.00 N ATOM 541 CZ ARG A 35 -5.473 -9.834 -3.991 1.00 0.00 C ATOM 542 NH1 ARG A 35 -6.485 -10.605 -3.669 1.00 0.00 N ATOM 543 NH2 ARG A 35 -4.383 -9.926 -3.268 1.00 0.00 N ATOM 0 H ARG A 35 -6.638 -7.460 -9.542 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.013 -10.262 -9.704 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.165 -8.050 -7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.621 -9.728 -7.749 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.374 -10.383 -7.162 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.687 -8.897 -7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.769 -7.592 -5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.595 -9.023 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.662 -8.484 -5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.349 -10.564 -4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.407 -11.245 -2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.574 -9.345 -3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.344 -10.579 -2.485 1.00 0.00 H new ATOM 557 N GLN A 36 -9.450 -8.534 -11.012 1.00 0.00 N ATOM 558 CA GLN A 36 -10.522 -8.637 -12.016 1.00 0.00 C ATOM 559 C GLN A 36 -10.038 -9.092 -13.417 1.00 0.00 C ATOM 560 O GLN A 36 -10.836 -9.152 -14.352 1.00 0.00 O ATOM 561 CB GLN A 36 -11.296 -7.307 -12.092 1.00 0.00 C ATOM 562 CG GLN A 36 -12.192 -7.088 -10.861 1.00 0.00 C ATOM 563 CD GLN A 36 -13.031 -5.820 -10.979 1.00 0.00 C ATOM 564 OE1 GLN A 36 -12.923 -4.888 -10.188 1.00 0.00 O ATOM 565 NE2 GLN A 36 -13.919 -5.740 -11.952 1.00 0.00 N ATOM 0 H GLN A 36 -9.159 -7.571 -10.844 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.189 -9.431 -11.680 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.590 -6.481 -12.177 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.909 -7.296 -12.993 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.851 -7.947 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.571 -7.029 -9.967 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.019 -6.508 -12.616 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.506 -4.910 -12.040 1.00 0.00 H new ATOM 574 N GLY A 37 -8.756 -9.436 -13.592 1.00 0.00 N ATOM 575 CA GLY A 37 -8.210 -10.204 -14.717 1.00 0.00 C ATOM 576 C GLY A 37 -8.023 -9.448 -16.037 1.00 0.00 C ATOM 577 O GLY A 37 -7.101 -9.762 -16.785 1.00 0.00 O ATOM 0 H GLY A 37 -8.036 -9.173 -12.919 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.244 -10.609 -14.416 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.868 -11.053 -14.901 1.00 0.00 H new ATOM 581 N LYS A 38 -8.877 -8.465 -16.345 1.00 0.00 N ATOM 582 CA LYS A 38 -8.989 -7.828 -17.671 1.00 0.00 C ATOM 583 C LYS A 38 -7.861 -6.840 -18.046 1.00 0.00 C ATOM 584 O LYS A 38 -8.023 -6.057 -18.977 1.00 0.00 O ATOM 585 CB LYS A 38 -10.396 -7.202 -17.811 1.00 0.00 C ATOM 586 CG LYS A 38 -10.941 -7.398 -19.236 1.00 0.00 C ATOM 587 CD LYS A 38 -12.307 -6.731 -19.429 1.00 0.00 C ATOM 588 CE LYS A 38 -12.884 -7.143 -20.788 1.00 0.00 C ATOM 589 NZ LYS A 38 -14.134 -6.414 -21.088 1.00 0.00 N ATOM 0 H LYS A 38 -9.529 -8.077 -15.663 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.854 -8.622 -18.405 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.075 -7.658 -17.091 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.351 -6.138 -17.577 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.232 -6.986 -19.954 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.026 -8.464 -19.448 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.985 -7.026 -18.628 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.206 -5.647 -19.377 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.151 -6.948 -21.570 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.077 -8.216 -20.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.622 -6.874 -21.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.751 -6.424 -20.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.910 -5.430 -21.341 1.00 0.00 H new ATOM 603 N SER A 39 -6.725 -6.842 -17.341 1.00 0.00 N ATOM 604 CA SER A 39 -5.539 -6.053 -17.704 1.00 0.00 C ATOM 605 C SER A 39 -4.769 -6.662 -18.885 1.00 0.00 C ATOM 606 O SER A 39 -4.908 -7.854 -19.166 1.00 0.00 O ATOM 607 CB SER A 39 -4.616 -5.928 -16.486 1.00 0.00 C ATOM 608 OG SER A 39 -4.078 -7.176 -16.078 1.00 0.00 O ATOM 0 H SER A 39 -6.600 -7.396 -16.494 1.00 0.00 H new ATOM 0 HA SER A 39 -5.882 -5.068 -18.019 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.800 -5.245 -16.722 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.171 -5.488 -15.658 1.00 0.00 H new ATOM 0 HG SER A 39 -3.202 -7.307 -16.497 1.00 0.00 H new ATOM 614 N LYS A 40 -3.866 -5.889 -19.508 1.00 0.00 N ATOM 615 CA LYS A 40 -2.764 -6.458 -20.304 1.00 0.00 C ATOM 616 C LYS A 40 -1.384 -5.857 -20.011 1.00 0.00 C ATOM 617 O LYS A 40 -0.385 -6.546 -20.224 1.00 0.00 O ATOM 618 CB LYS A 40 -3.082 -6.362 -21.805 1.00 0.00 C ATOM 619 CG LYS A 40 -2.393 -7.410 -22.703 1.00 0.00 C ATOM 620 CD LYS A 40 -2.482 -8.876 -22.255 1.00 0.00 C ATOM 621 CE LYS A 40 -3.911 -9.395 -22.038 1.00 0.00 C ATOM 622 NZ LYS A 40 -4.095 -9.946 -20.675 1.00 0.00 N ATOM 0 H LYS A 40 -3.876 -4.870 -19.477 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.696 -7.502 -19.999 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.160 -6.451 -21.936 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.800 -5.369 -22.155 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.821 -7.334 -23.702 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.339 -7.144 -22.787 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.993 -9.500 -23.003 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.923 -8.993 -21.327 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.621 -8.584 -22.201 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.133 -10.167 -22.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.605 -10.850 -20.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.166 -10.100 -20.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.643 -9.275 -20.100 1.00 0.00 H new ATOM 636 N LEU A 41 -1.309 -4.634 -19.469 1.00 0.00 N ATOM 637 CA LEU A 41 -0.030 -3.976 -19.156 1.00 0.00 C ATOM 638 C LEU A 41 -0.125 -3.206 -17.834 1.00 0.00 C ATOM 639 O LEU A 41 -1.091 -2.470 -17.629 1.00 0.00 O ATOM 640 CB LEU A 41 0.333 -3.114 -20.384 1.00 0.00 C ATOM 641 CG LEU A 41 1.450 -2.056 -20.328 1.00 0.00 C ATOM 642 CD1 LEU A 41 1.028 -0.825 -19.529 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.805 -2.575 -19.845 1.00 0.00 C ATOM 0 H LEU A 41 -2.129 -4.074 -19.235 1.00 0.00 H new ATOM 0 HA LEU A 41 0.777 -4.688 -18.987 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.591 -3.803 -21.188 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.577 -2.596 -20.687 1.00 0.00 H new ATOM 0 HG LEU A 41 1.600 -1.770 -21.369 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.845 -0.103 -19.514 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.152 -0.372 -19.994 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.785 -1.120 -18.508 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.527 -1.758 -19.840 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.703 -2.976 -18.836 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.153 -3.362 -20.514 1.00 0.00 H new ATOM 655 N ILE A 42 0.881 -3.341 -16.959 1.00 0.00 N ATOM 656 CA ILE A 42 1.085 -2.486 -15.781 1.00 0.00 C ATOM 657 C ILE A 42 2.358 -1.639 -15.927 1.00 0.00 C ATOM 658 O ILE A 42 3.408 -2.129 -16.353 1.00 0.00 O ATOM 659 CB ILE A 42 1.035 -3.269 -14.444 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.285 -4.108 -14.109 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.189 -4.191 -14.368 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.258 -4.654 -12.677 1.00 0.00 C ATOM 0 H ILE A 42 1.593 -4.065 -17.053 1.00 0.00 H new ATOM 0 HA ILE A 42 0.240 -1.798 -15.737 1.00 0.00 H new ATOM 0 HB ILE A 42 0.979 -2.472 -13.702 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.359 -4.939 -14.810 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.177 -3.496 -14.244 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.186 -4.721 -13.416 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.098 -3.596 -14.449 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.153 -4.912 -15.185 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.160 -5.237 -12.493 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.212 -3.824 -11.972 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.382 -5.290 -12.546 1.00 0.00 H new ATOM 674 N ILE A 43 2.264 -0.364 -15.535 1.00 0.00 N ATOM 675 CA ILE A 43 3.394 0.552 -15.383 1.00 0.00 C ATOM 676 C ILE A 43 3.613 0.775 -13.898 1.00 0.00 C ATOM 677 O ILE A 43 2.674 1.155 -13.201 1.00 0.00 O ATOM 678 CB ILE A 43 3.125 1.935 -16.007 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.628 1.899 -17.463 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.380 2.817 -15.900 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.595 1.218 -18.437 1.00 0.00 C ATOM 0 H ILE A 43 1.370 0.071 -15.308 1.00 0.00 H new ATOM 0 HA ILE A 43 4.252 0.105 -15.885 1.00 0.00 H new ATOM 0 HB ILE A 43 2.306 2.361 -15.428 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.670 1.380 -17.496 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.449 2.920 -17.800 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.179 3.792 -16.344 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.647 2.944 -14.851 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.205 2.341 -16.429 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.171 1.234 -19.441 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.547 1.749 -18.436 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.756 0.185 -18.128 1.00 0.00 H new ATOM 693 N ILE A 44 4.848 0.623 -13.427 1.00 0.00 N ATOM 694 CA ILE A 44 5.209 0.963 -12.052 1.00 0.00 C ATOM 695 C ILE A 44 6.262 2.076 -12.125 1.00 0.00 C ATOM 696 O ILE A 44 7.437 1.812 -12.385 1.00 0.00 O ATOM 697 CB ILE A 44 5.614 -0.299 -11.252 1.00 0.00 C ATOM 698 CG1 ILE A 44 4.536 -1.421 -11.294 1.00 0.00 C ATOM 699 CG2 ILE A 44 5.868 0.101 -9.785 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.075 -2.811 -10.964 1.00 0.00 C ATOM 0 H ILE A 44 5.623 0.263 -13.983 1.00 0.00 H new ATOM 0 HA ILE A 44 4.364 1.351 -11.484 1.00 0.00 H new ATOM 0 HB ILE A 44 6.514 -0.702 -11.717 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.741 -1.174 -10.590 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.087 -1.443 -12.287 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.154 -0.781 -9.212 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.670 0.838 -9.742 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.959 0.529 -9.362 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.264 -3.537 -11.014 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.849 -3.081 -11.682 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.498 -2.808 -9.959 1.00 0.00 H new ATOM 712 N ALA A 45 5.820 3.332 -11.964 1.00 0.00 N ATOM 713 CA ALA A 45 6.645 4.542 -11.994 1.00 0.00 C ATOM 714 C ALA A 45 6.810 5.116 -10.579 1.00 0.00 C ATOM 715 O ALA A 45 6.488 6.275 -10.318 1.00 0.00 O ATOM 716 CB ALA A 45 6.034 5.562 -12.973 1.00 0.00 C ATOM 0 H ALA A 45 4.834 3.538 -11.802 1.00 0.00 H new ATOM 0 HA ALA A 45 7.644 4.296 -12.353 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.650 6.461 -12.993 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.993 5.128 -13.972 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.026 5.820 -12.648 1.00 0.00 H new ATOM 722 N ALA A 46 7.260 4.284 -9.635 1.00 0.00 N ATOM 723 CA ALA A 46 7.355 4.646 -8.227 1.00 0.00 C ATOM 724 C ALA A 46 8.501 3.910 -7.523 1.00 0.00 C ATOM 725 O ALA A 46 8.846 2.786 -7.895 1.00 0.00 O ATOM 726 CB ALA A 46 6.010 4.319 -7.562 1.00 0.00 C ATOM 0 H ALA A 46 7.570 3.333 -9.834 1.00 0.00 H new ATOM 0 HA ALA A 46 7.574 5.710 -8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.054 4.581 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.217 4.890 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.803 3.254 -7.664 1.00 0.00 H new ATOM 732 N ASN A 47 8.989 4.525 -6.438 1.00 0.00 N ATOM 733 CA ASN A 47 10.006 4.068 -5.481 1.00 0.00 C ATOM 734 C ASN A 47 9.600 2.775 -4.727 1.00 0.00 C ATOM 735 O ASN A 47 9.404 2.767 -3.510 1.00 0.00 O ATOM 736 CB ASN A 47 10.297 5.259 -4.542 1.00 0.00 C ATOM 737 CG ASN A 47 9.044 5.860 -3.909 1.00 0.00 C ATOM 738 OD1 ASN A 47 8.485 6.835 -4.402 1.00 0.00 O ATOM 739 ND2 ASN A 47 8.534 5.264 -2.855 1.00 0.00 N ATOM 0 H ASN A 47 8.646 5.451 -6.182 1.00 0.00 H new ATOM 0 HA ASN A 47 10.914 3.773 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.971 4.931 -3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.818 6.035 -5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.669 5.611 -2.442 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.004 4.454 -2.450 1.00 0.00 H new ATOM 746 N THR A 48 9.429 1.687 -5.475 1.00 0.00 N ATOM 747 CA THR A 48 8.634 0.512 -5.102 1.00 0.00 C ATOM 748 C THR A 48 9.506 -0.579 -4.457 1.00 0.00 C ATOM 749 O THR A 48 10.366 -1.129 -5.147 1.00 0.00 O ATOM 750 CB THR A 48 7.922 -0.041 -6.351 1.00 0.00 C ATOM 751 OG1 THR A 48 7.194 0.984 -6.989 1.00 0.00 O ATOM 752 CG2 THR A 48 6.907 -1.123 -5.993 1.00 0.00 C ATOM 0 H THR A 48 9.857 1.593 -6.396 1.00 0.00 H new ATOM 0 HA THR A 48 7.894 0.818 -4.363 1.00 0.00 H new ATOM 0 HB THR A 48 8.702 -0.450 -6.994 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.766 1.429 -7.649 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.427 -1.487 -6.902 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.416 -1.949 -5.496 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.152 -0.707 -5.325 1.00 0.00 H new ATOM 760 N PRO A 49 9.311 -0.924 -3.163 1.00 0.00 N ATOM 761 CA PRO A 49 10.040 -2.012 -2.501 1.00 0.00 C ATOM 762 C PRO A 49 9.939 -3.356 -3.237 1.00 0.00 C ATOM 763 O PRO A 49 8.929 -3.651 -3.878 1.00 0.00 O ATOM 764 CB PRO A 49 9.437 -2.123 -1.097 1.00 0.00 C ATOM 765 CG PRO A 49 8.867 -0.732 -0.835 1.00 0.00 C ATOM 766 CD PRO A 49 8.401 -0.289 -2.220 1.00 0.00 C ATOM 0 HA PRO A 49 11.105 -1.782 -2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.662 -2.888 -1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.191 -2.392 -0.358 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.044 -0.760 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.619 -0.057 -0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.371 -0.595 -2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.433 0.796 -2.315 1.00 0.00 H new ATOM 774 N VAL A 50 10.951 -4.217 -3.074 1.00 0.00 N ATOM 775 CA VAL A 50 11.076 -5.489 -3.810 1.00 0.00 C ATOM 776 C VAL A 50 9.871 -6.415 -3.596 1.00 0.00 C ATOM 777 O VAL A 50 9.373 -6.999 -4.557 1.00 0.00 O ATOM 778 CB VAL A 50 12.398 -6.207 -3.458 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.564 -7.516 -4.245 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.614 -5.320 -3.766 1.00 0.00 C ATOM 0 H VAL A 50 11.717 -4.052 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 50 11.093 -5.237 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 50 12.348 -6.423 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.506 -7.990 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.738 -8.188 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.566 -7.300 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.529 -5.854 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.625 -5.074 -4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.552 -4.402 -3.182 1.00 0.00 H new ATOM 790 N LEU A 51 9.349 -6.528 -2.371 1.00 0.00 N ATOM 791 CA LEU A 51 8.148 -7.322 -2.075 1.00 0.00 C ATOM 792 C LEU A 51 6.863 -6.686 -2.645 1.00 0.00 C ATOM 793 O LEU A 51 5.836 -7.355 -2.785 1.00 0.00 O ATOM 794 CB LEU A 51 8.009 -7.506 -0.549 1.00 0.00 C ATOM 795 CG LEU A 51 9.006 -8.455 0.154 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.995 -9.865 -0.444 1.00 0.00 C ATOM 797 CD2 LEU A 51 10.449 -7.938 0.183 1.00 0.00 C ATOM 0 H LEU A 51 9.748 -6.070 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 51 8.271 -8.290 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.096 -6.524 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.001 -7.868 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 51 8.646 -8.493 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.713 -10.491 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.998 -10.294 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.266 -9.815 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.085 -8.662 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.806 -7.798 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.484 -6.987 0.714 1.00 0.00 H new ATOM 809 N ARG A 52 6.893 -5.386 -2.964 1.00 0.00 N ATOM 810 CA ARG A 52 5.751 -4.637 -3.488 1.00 0.00 C ATOM 811 C ARG A 52 5.746 -4.687 -5.015 1.00 0.00 C ATOM 812 O ARG A 52 4.708 -5.007 -5.593 1.00 0.00 O ATOM 813 CB ARG A 52 5.765 -3.214 -2.887 1.00 0.00 C ATOM 814 CG ARG A 52 4.342 -2.649 -2.737 1.00 0.00 C ATOM 815 CD ARG A 52 3.673 -3.066 -1.407 1.00 0.00 C ATOM 816 NE ARG A 52 3.930 -4.482 -1.068 1.00 0.00 N ATOM 817 CZ ARG A 52 3.077 -5.496 -1.037 1.00 0.00 C ATOM 818 NH1 ARG A 52 1.790 -5.348 -0.874 1.00 0.00 N ATOM 819 NH2 ARG A 52 3.498 -6.723 -1.219 1.00 0.00 N ATOM 0 H ARG A 52 7.732 -4.816 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 52 4.807 -5.089 -3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.254 -3.235 -1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.354 -2.555 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.379 -1.561 -2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.729 -2.992 -3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.042 -2.430 -0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.598 -2.901 -1.477 1.00 0.00 H new ATOM 0 HE ARG A 52 4.894 -4.709 -0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.394 -4.415 -0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.181 -6.166 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.488 -6.903 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.836 -7.498 -1.194 1.00 0.00 H new ATOM 833 N LYS A 53 6.911 -4.508 -5.658 1.00 0.00 N ATOM 834 CA LYS A 53 7.070 -4.798 -7.089 1.00 0.00 C ATOM 835 C LYS A 53 6.774 -6.266 -7.381 1.00 0.00 C ATOM 836 O LYS A 53 6.033 -6.551 -8.314 1.00 0.00 O ATOM 837 CB LYS A 53 8.409 -4.277 -7.655 1.00 0.00 C ATOM 838 CG LYS A 53 9.735 -5.013 -7.390 1.00 0.00 C ATOM 839 CD LYS A 53 10.334 -5.860 -8.521 1.00 0.00 C ATOM 840 CE LYS A 53 9.692 -7.238 -8.691 1.00 0.00 C ATOM 841 NZ LYS A 53 10.344 -7.983 -9.789 1.00 0.00 N ATOM 0 H LYS A 53 7.758 -4.163 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 53 6.321 -4.231 -7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.292 -4.214 -8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.533 -3.258 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.477 -4.268 -7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.588 -5.664 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.239 -5.311 -9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.400 -5.990 -8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.776 -7.802 -7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.628 -7.126 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.978 -8.956 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.141 -7.514 -10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.372 -8.004 -9.632 1.00 0.00 H new ATOM 855 N SER A 54 7.262 -7.183 -6.537 1.00 0.00 N ATOM 856 CA SER A 54 6.994 -8.621 -6.665 1.00 0.00 C ATOM 857 C SER A 54 5.504 -8.951 -6.573 1.00 0.00 C ATOM 858 O SER A 54 5.030 -9.729 -7.390 1.00 0.00 O ATOM 859 CB SER A 54 7.771 -9.450 -5.640 1.00 0.00 C ATOM 860 OG SER A 54 9.155 -9.186 -5.754 1.00 0.00 O ATOM 0 H SER A 54 7.857 -6.948 -5.742 1.00 0.00 H new ATOM 0 HA SER A 54 7.341 -8.892 -7.662 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.429 -9.212 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.581 -10.511 -5.799 1.00 0.00 H new ATOM 0 HG SER A 54 9.415 -8.512 -5.091 1.00 0.00 H new ATOM 866 N GLU A 55 4.741 -8.365 -5.634 1.00 0.00 N ATOM 867 CA GLU A 55 3.288 -8.591 -5.595 1.00 0.00 C ATOM 868 C GLU A 55 2.564 -8.060 -6.856 1.00 0.00 C ATOM 869 O GLU A 55 1.718 -8.758 -7.414 1.00 0.00 O ATOM 870 CB GLU A 55 2.709 -7.986 -4.310 1.00 0.00 C ATOM 871 CG GLU A 55 1.342 -8.584 -3.950 1.00 0.00 C ATOM 872 CD GLU A 55 0.643 -7.763 -2.861 1.00 0.00 C ATOM 873 OE1 GLU A 55 1.116 -7.784 -1.702 1.00 0.00 O ATOM 874 OE2 GLU A 55 -0.325 -7.027 -3.194 1.00 0.00 O ATOM 0 H GLU A 55 5.097 -7.745 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 55 3.116 -9.667 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.404 -8.153 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.611 -6.907 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.714 -8.621 -4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.471 -9.611 -3.608 1.00 0.00 H new ATOM 881 N LEU A 56 2.916 -6.866 -7.351 1.00 0.00 N ATOM 882 CA LEU A 56 2.364 -6.329 -8.612 1.00 0.00 C ATOM 883 C LEU A 56 2.670 -7.198 -9.823 1.00 0.00 C ATOM 884 O LEU A 56 1.800 -7.494 -10.642 1.00 0.00 O ATOM 885 CB LEU A 56 2.830 -4.884 -8.813 1.00 0.00 C ATOM 886 CG LEU A 56 2.199 -3.920 -7.792 1.00 0.00 C ATOM 887 CD1 LEU A 56 2.160 -2.544 -8.420 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.757 -4.276 -7.433 1.00 0.00 C ATOM 0 H LEU A 56 3.586 -6.246 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 56 1.278 -6.340 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.916 -4.840 -8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.575 -4.559 -9.822 1.00 0.00 H new ATOM 0 HG LEU A 56 2.801 -3.974 -6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.717 -1.837 -7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.174 -2.226 -8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.561 -2.576 -9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.374 -3.556 -6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.141 -4.250 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.726 -5.276 -7.001 1.00 0.00 H new ATOM 900 N GLU A 57 3.916 -7.628 -9.889 1.00 0.00 N ATOM 901 CA GLU A 57 4.439 -8.572 -10.874 1.00 0.00 C ATOM 902 C GLU A 57 3.766 -9.951 -10.773 1.00 0.00 C ATOM 903 O GLU A 57 3.467 -10.560 -11.798 1.00 0.00 O ATOM 904 CB GLU A 57 5.955 -8.625 -10.688 1.00 0.00 C ATOM 905 CG GLU A 57 6.743 -9.294 -11.814 1.00 0.00 C ATOM 906 CD GLU A 57 8.214 -8.929 -11.626 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.573 -7.735 -11.815 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.985 -9.774 -11.117 1.00 0.00 O ATOM 0 H GLU A 57 4.629 -7.317 -9.229 1.00 0.00 H new ATOM 0 HA GLU A 57 4.208 -8.237 -11.885 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.323 -7.606 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.169 -9.152 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.610 -10.375 -11.785 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.385 -8.955 -12.786 1.00 0.00 H new ATOM 915 N TYR A 58 3.439 -10.415 -9.560 1.00 0.00 N ATOM 916 CA TYR A 58 2.614 -11.600 -9.323 1.00 0.00 C ATOM 917 C TYR A 58 1.197 -11.420 -9.887 1.00 0.00 C ATOM 918 O TYR A 58 0.714 -12.302 -10.595 1.00 0.00 O ATOM 919 CB TYR A 58 2.592 -11.935 -7.824 1.00 0.00 C ATOM 920 CG TYR A 58 2.043 -13.308 -7.493 1.00 0.00 C ATOM 921 CD1 TYR A 58 0.661 -13.496 -7.296 1.00 0.00 C ATOM 922 CD2 TYR A 58 2.928 -14.393 -7.353 1.00 0.00 C ATOM 923 CE1 TYR A 58 0.167 -14.770 -6.959 1.00 0.00 C ATOM 924 CE2 TYR A 58 2.439 -15.671 -7.026 1.00 0.00 C ATOM 925 CZ TYR A 58 1.053 -15.861 -6.833 1.00 0.00 C ATOM 926 OH TYR A 58 0.564 -17.089 -6.515 1.00 0.00 O ATOM 0 H TYR A 58 3.749 -9.965 -8.699 1.00 0.00 H new ATOM 0 HA TYR A 58 3.057 -12.442 -9.854 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.607 -11.860 -7.433 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.995 -11.185 -7.306 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.019 -12.664 -7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.988 -14.244 -7.497 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.891 -14.913 -6.797 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.120 -16.503 -6.923 1.00 0.00 H new ATOM 0 HH TYR A 58 1.302 -17.733 -6.467 1.00 0.00 H new ATOM 936 N TYR A 59 0.527 -10.283 -9.640 1.00 0.00 N ATOM 937 CA TYR A 59 -0.770 -10.023 -10.276 1.00 0.00 C ATOM 938 C TYR A 59 -0.663 -9.937 -11.805 1.00 0.00 C ATOM 939 O TYR A 59 -1.478 -10.553 -12.483 1.00 0.00 O ATOM 940 CB TYR A 59 -1.454 -8.770 -9.726 1.00 0.00 C ATOM 941 CG TYR A 59 -1.638 -8.715 -8.222 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.267 -9.767 -7.525 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.189 -7.583 -7.525 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.433 -9.685 -6.127 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.333 -7.505 -6.132 1.00 0.00 C ATOM 946 CZ TYR A 59 -1.967 -8.547 -5.428 1.00 0.00 C ATOM 947 OH TYR A 59 -2.144 -8.431 -4.083 1.00 0.00 O ATOM 0 H TYR A 59 0.855 -9.544 -9.018 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.393 -10.882 -10.026 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.873 -7.900 -10.032 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.434 -8.680 -10.195 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.621 -10.635 -8.061 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.730 -6.767 -8.064 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.915 -10.489 -5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.957 -6.645 -5.598 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.773 -7.577 -3.777 1.00 0.00 H new ATOM 957 N ALA A 60 0.352 -9.251 -12.350 1.00 0.00 N ATOM 958 CA ALA A 60 0.659 -9.260 -13.783 1.00 0.00 C ATOM 959 C ALA A 60 0.818 -10.696 -14.336 1.00 0.00 C ATOM 960 O ALA A 60 0.220 -11.045 -15.357 1.00 0.00 O ATOM 961 CB ALA A 60 1.907 -8.410 -14.030 1.00 0.00 C ATOM 0 H ALA A 60 0.987 -8.670 -11.802 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.180 -8.826 -14.326 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.143 -8.411 -15.094 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.722 -7.388 -13.700 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.746 -8.825 -13.472 1.00 0.00 H new ATOM 967 N MET A 61 1.582 -11.548 -13.638 1.00 0.00 N ATOM 968 CA MET A 61 1.740 -12.974 -13.932 1.00 0.00 C ATOM 969 C MET A 61 0.407 -13.742 -13.882 1.00 0.00 C ATOM 970 O MET A 61 0.200 -14.634 -14.705 1.00 0.00 O ATOM 971 CB MET A 61 2.772 -13.571 -12.960 1.00 0.00 C ATOM 972 CG MET A 61 3.057 -15.062 -13.185 1.00 0.00 C ATOM 973 SD MET A 61 3.969 -15.855 -11.833 1.00 0.00 S ATOM 974 CE MET A 61 2.676 -15.911 -10.559 1.00 0.00 C ATOM 0 H MET A 61 2.124 -11.251 -12.827 1.00 0.00 H new ATOM 0 HA MET A 61 2.099 -13.077 -14.956 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.705 -13.016 -13.052 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.417 -13.430 -11.939 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.111 -15.584 -13.326 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.625 -15.177 -14.108 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.991 -16.569 -9.749 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.508 -14.908 -10.167 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.752 -16.290 -10.995 1.00 0.00 H new ATOM 984 N LEU A 62 -0.513 -13.417 -12.962 1.00 0.00 N ATOM 985 CA LEU A 62 -1.877 -13.963 -12.956 1.00 0.00 C ATOM 986 C LEU A 62 -2.681 -13.481 -14.177 1.00 0.00 C ATOM 987 O LEU A 62 -3.053 -14.303 -15.025 1.00 0.00 O ATOM 988 CB LEU A 62 -2.616 -13.623 -11.645 1.00 0.00 C ATOM 989 CG LEU A 62 -2.069 -14.285 -10.367 1.00 0.00 C ATOM 990 CD1 LEU A 62 -2.830 -13.724 -9.163 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.239 -15.805 -10.366 1.00 0.00 C ATOM 0 H LEU A 62 -0.331 -12.766 -12.199 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.790 -15.048 -13.019 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.592 -12.542 -11.508 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.662 -13.907 -11.758 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.002 -14.066 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.454 -14.183 -8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.686 -12.645 -9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.892 -13.944 -9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.835 -16.216 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.298 -16.053 -10.441 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.705 -16.231 -11.215 1.00 0.00 H new ATOM 1003 N SER A 63 -2.961 -12.174 -14.270 1.00 0.00 N ATOM 1004 CA SER A 63 -3.889 -11.546 -15.220 1.00 0.00 C ATOM 1005 C SER A 63 -3.306 -11.409 -16.634 1.00 0.00 C ATOM 1006 O SER A 63 -3.332 -10.334 -17.233 1.00 0.00 O ATOM 1007 CB SER A 63 -4.371 -10.200 -14.645 1.00 0.00 C ATOM 1008 OG SER A 63 -3.355 -9.220 -14.543 1.00 0.00 O ATOM 0 H SER A 63 -2.523 -11.491 -13.652 1.00 0.00 H new ATOM 0 HA SER A 63 -4.749 -12.205 -15.342 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.172 -9.814 -15.275 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.797 -10.371 -13.656 1.00 0.00 H new ATOM 0 HG SER A 63 -3.686 -8.368 -14.895 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.820 -12.512 -17.224 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.553 -12.610 -17.979 1.00 0.00 C ATOM 1016 C LYS A 64 -1.191 -11.307 -18.708 1.00 0.00 C ATOM 1017 O LYS A 64 -1.731 -10.990 -19.771 1.00 0.00 O ATOM 1018 CB LYS A 64 -1.666 -13.768 -18.997 1.00 0.00 C ATOM 1019 CG LYS A 64 -1.929 -15.154 -18.386 1.00 0.00 C ATOM 1020 CD LYS A 64 -0.664 -15.793 -17.799 1.00 0.00 C ATOM 1021 CE LYS A 64 -1.018 -16.987 -16.906 1.00 0.00 C ATOM 1022 NZ LYS A 64 -1.508 -16.538 -15.583 1.00 0.00 N ATOM 0 H LYS A 64 -3.318 -13.401 -17.189 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.754 -12.800 -17.263 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.470 -13.538 -19.696 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.743 -13.813 -19.576 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.682 -15.064 -17.603 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.341 -15.811 -19.151 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.008 -16.119 -18.606 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.112 -15.052 -17.220 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.781 -17.595 -17.392 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.141 -17.620 -16.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.913 -17.347 -15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.717 -16.142 -15.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.239 -15.809 -15.712 1.00 0.00 H new ATOM 1036 N THR A 65 -0.339 -10.519 -18.048 1.00 0.00 N ATOM 1037 CA THR A 65 -0.084 -9.089 -18.258 1.00 0.00 C ATOM 1038 C THR A 65 1.419 -8.777 -18.201 1.00 0.00 C ATOM 1039 O THR A 65 2.165 -9.418 -17.464 1.00 0.00 O ATOM 1040 CB THR A 65 -0.871 -8.311 -17.178 1.00 0.00 C ATOM 1041 OG1 THR A 65 -2.214 -8.161 -17.584 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.365 -6.930 -16.792 1.00 0.00 C ATOM 0 H THR A 65 0.237 -10.892 -17.293 1.00 0.00 H new ATOM 0 HA THR A 65 -0.418 -8.786 -19.250 1.00 0.00 H new ATOM 0 HB THR A 65 -0.738 -8.930 -16.291 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.762 -8.858 -17.167 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.014 -6.506 -16.026 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.650 -7.010 -16.404 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.368 -6.283 -17.669 1.00 0.00 H new ATOM 1050 N LYS A 66 1.863 -7.769 -18.967 1.00 0.00 N ATOM 1051 CA LYS A 66 3.252 -7.279 -18.990 1.00 0.00 C ATOM 1052 C LYS A 66 3.493 -6.212 -17.907 1.00 0.00 C ATOM 1053 O LYS A 66 2.592 -5.448 -17.573 1.00 0.00 O ATOM 1054 CB LYS A 66 3.531 -6.738 -20.408 1.00 0.00 C ATOM 1055 CG LYS A 66 4.941 -6.176 -20.666 1.00 0.00 C ATOM 1056 CD LYS A 66 6.083 -7.175 -20.389 1.00 0.00 C ATOM 1057 CE LYS A 66 7.452 -6.678 -20.873 1.00 0.00 C ATOM 1058 NZ LYS A 66 7.772 -5.317 -20.387 1.00 0.00 N ATOM 0 H LYS A 66 1.252 -7.258 -19.604 1.00 0.00 H new ATOM 0 HA LYS A 66 3.943 -8.091 -18.762 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.349 -7.542 -21.121 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.807 -5.952 -20.622 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.004 -5.848 -21.704 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.087 -5.293 -20.043 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.133 -7.372 -19.318 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.854 -8.123 -20.877 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.224 -7.370 -20.537 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.471 -6.684 -21.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.683 -5.012 -20.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.026 -4.657 -20.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.832 -5.324 -19.349 1.00 0.00 H new ATOM 1072 N VAL A 67 4.729 -6.126 -17.403 1.00 0.00 N ATOM 1073 CA VAL A 67 5.209 -5.094 -16.470 1.00 0.00 C ATOM 1074 C VAL A 67 6.232 -4.185 -17.151 1.00 0.00 C ATOM 1075 O VAL A 67 7.150 -4.678 -17.812 1.00 0.00 O ATOM 1076 CB VAL A 67 5.882 -5.735 -15.237 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.221 -4.685 -14.169 1.00 0.00 C ATOM 1078 CG2 VAL A 67 5.009 -6.809 -14.588 1.00 0.00 C ATOM 0 H VAL A 67 5.455 -6.801 -17.643 1.00 0.00 H new ATOM 0 HA VAL A 67 4.341 -4.513 -16.157 1.00 0.00 H new ATOM 0 HB VAL A 67 6.796 -6.196 -15.611 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.693 -5.173 -13.316 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.904 -3.947 -14.589 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.307 -4.189 -13.843 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.528 -7.228 -13.726 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.067 -6.366 -14.264 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.808 -7.600 -15.310 1.00 0.00 H new ATOM 1088 N TYR A 68 6.125 -2.872 -16.923 1.00 0.00 N ATOM 1089 CA TYR A 68 7.150 -1.885 -17.260 1.00 0.00 C ATOM 1090 C TYR A 68 7.500 -0.992 -16.054 1.00 0.00 C ATOM 1091 O TYR A 68 6.683 -0.200 -15.571 1.00 0.00 O ATOM 1092 CB TYR A 68 6.688 -1.086 -18.478 1.00 0.00 C ATOM 1093 CG TYR A 68 7.738 -0.123 -19.000 1.00 0.00 C ATOM 1094 CD1 TYR A 68 8.730 -0.557 -19.902 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.735 1.210 -18.551 1.00 0.00 C ATOM 1096 CE1 TYR A 68 9.708 0.349 -20.360 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.715 2.116 -18.997 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.702 1.688 -19.911 1.00 0.00 C ATOM 1099 OH TYR A 68 10.634 2.570 -20.365 1.00 0.00 O ATOM 0 H TYR A 68 5.301 -2.458 -16.488 1.00 0.00 H new ATOM 0 HA TYR A 68 8.078 -2.396 -17.518 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.412 -1.778 -19.274 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.790 -0.526 -18.217 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.741 -1.582 -20.242 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.975 1.541 -17.859 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.464 0.018 -21.056 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.712 3.136 -18.641 1.00 0.00 H new ATOM 0 HH TYR A 68 10.482 3.447 -19.954 1.00 0.00 H new ATOM 1109 N TYR A 69 8.733 -1.133 -15.554 1.00 0.00 N ATOM 1110 CA TYR A 69 9.282 -0.350 -14.445 1.00 0.00 C ATOM 1111 C TYR A 69 9.758 1.034 -14.913 1.00 0.00 C ATOM 1112 O TYR A 69 10.938 1.252 -15.190 1.00 0.00 O ATOM 1113 CB TYR A 69 10.392 -1.157 -13.746 1.00 0.00 C ATOM 1114 CG TYR A 69 9.849 -2.337 -12.963 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.036 -2.084 -11.844 1.00 0.00 C ATOM 1116 CD2 TYR A 69 10.107 -3.669 -13.356 1.00 0.00 C ATOM 1117 CE1 TYR A 69 8.432 -3.148 -11.157 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.519 -4.737 -12.645 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.654 -4.480 -11.568 1.00 0.00 C ATOM 1120 OH TYR A 69 8.041 -5.521 -10.936 1.00 0.00 O ATOM 0 H TYR A 69 9.395 -1.816 -15.922 1.00 0.00 H new ATOM 0 HA TYR A 69 8.495 -0.160 -13.715 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.100 -1.516 -14.493 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.944 -0.501 -13.072 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.876 -1.069 -11.513 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.752 -3.870 -14.198 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.794 -2.947 -10.309 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.735 -5.756 -12.930 1.00 0.00 H new ATOM 0 HH TYR A 69 7.930 -6.265 -11.564 1.00 0.00 H new ATOM 1130 N PHE A 70 8.840 2.004 -14.957 1.00 0.00 N ATOM 1131 CA PHE A 70 9.104 3.402 -15.328 1.00 0.00 C ATOM 1132 C PHE A 70 9.689 4.190 -14.135 1.00 0.00 C ATOM 1133 O PHE A 70 9.326 5.338 -13.872 1.00 0.00 O ATOM 1134 CB PHE A 70 7.816 4.005 -15.908 1.00 0.00 C ATOM 1135 CG PHE A 70 7.891 5.275 -16.753 1.00 0.00 C ATOM 1136 CD1 PHE A 70 9.041 6.091 -16.829 1.00 0.00 C ATOM 1137 CD2 PHE A 70 6.752 5.639 -17.498 1.00 0.00 C ATOM 1138 CE1 PHE A 70 9.032 7.252 -17.622 1.00 0.00 C ATOM 1139 CE2 PHE A 70 6.755 6.787 -18.310 1.00 0.00 C ATOM 1140 CZ PHE A 70 7.898 7.596 -18.372 1.00 0.00 C ATOM 0 H PHE A 70 7.860 1.835 -14.728 1.00 0.00 H new ATOM 0 HA PHE A 70 9.869 3.460 -16.102 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.341 3.236 -16.517 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.146 4.208 -15.072 1.00 0.00 H new ATOM 0 HD1 PHE A 70 9.929 5.823 -16.277 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.864 5.027 -17.445 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.907 7.885 -17.654 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.878 7.045 -18.885 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.905 8.479 -18.994 1.00 0.00 H new ATOM 1150 N GLN A 71 10.614 3.573 -13.392 1.00 0.00 N ATOM 1151 CA GLN A 71 11.404 4.250 -12.369 1.00 0.00 C ATOM 1152 C GLN A 71 12.366 5.231 -13.051 1.00 0.00 C ATOM 1153 O GLN A 71 13.458 4.854 -13.476 1.00 0.00 O ATOM 1154 CB GLN A 71 12.110 3.226 -11.466 1.00 0.00 C ATOM 1155 CG GLN A 71 13.060 3.856 -10.430 1.00 0.00 C ATOM 1156 CD GLN A 71 12.420 4.993 -9.637 1.00 0.00 C ATOM 1157 OE1 GLN A 71 12.874 6.219 -9.822 1.00 0.00 O flip ATOM 1158 NE2 GLN A 71 11.484 4.799 -8.875 1.00 0.00 N flip ATOM 0 H GLN A 71 10.834 2.582 -13.488 1.00 0.00 H new ATOM 0 HA GLN A 71 10.759 4.830 -11.709 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.356 2.638 -10.943 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.676 2.535 -12.091 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.396 3.084 -9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.946 4.233 -10.941 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.132 3.853 -8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.055 5.583 -8.384 1.00 0.00 H new ATOM 1167 N GLY A 72 11.920 6.480 -13.202 1.00 0.00 N ATOM 1168 CA GLY A 72 12.728 7.611 -13.652 1.00 0.00 C ATOM 1169 C GLY A 72 13.495 8.241 -12.478 1.00 0.00 C ATOM 1170 O GLY A 72 14.306 7.564 -11.849 1.00 0.00 O ATOM 0 H GLY A 72 10.953 6.739 -13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.432 7.279 -14.415 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.086 8.360 -14.115 1.00 0.00 H new ATOM 1174 N GLY A 73 13.268 9.505 -12.102 1.00 0.00 N ATOM 1175 CA GLY A 73 12.215 10.433 -12.537 1.00 0.00 C ATOM 1176 C GLY A 73 10.927 10.195 -11.749 1.00 0.00 C ATOM 1177 O GLY A 73 10.596 10.976 -10.857 1.00 0.00 O ATOM 0 H GLY A 73 13.879 9.949 -11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.549 11.461 -12.397 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.025 10.302 -13.602 1.00 0.00 H new ATOM 1181 N ASN A 74 10.251 9.076 -12.041 1.00 0.00 N ATOM 1182 CA ASN A 74 9.074 8.529 -11.360 1.00 0.00 C ATOM 1183 C ASN A 74 7.958 9.564 -11.094 1.00 0.00 C ATOM 1184 O ASN A 74 7.384 9.584 -10.003 1.00 0.00 O ATOM 1185 CB ASN A 74 9.541 7.706 -10.136 1.00 0.00 C ATOM 1186 CG ASN A 74 10.247 8.483 -9.032 1.00 0.00 C ATOM 1187 OD1 ASN A 74 9.587 9.426 -8.394 1.00 0.00 O flip ATOM 1188 ND2 ASN A 74 11.388 8.219 -8.690 1.00 0.00 N flip ATOM 0 H ASN A 74 10.537 8.485 -12.821 1.00 0.00 H new ATOM 0 HA ASN A 74 8.559 7.841 -12.031 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.671 7.211 -9.704 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.212 6.922 -10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.910 7.490 -9.176 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.819 8.727 -7.918 1.00 0.00 H new ATOM 1195 N ASN A 75 7.718 10.456 -12.062 1.00 0.00 N ATOM 1196 CA ASN A 75 6.713 11.532 -12.038 1.00 0.00 C ATOM 1197 C ASN A 75 6.220 11.919 -13.452 1.00 0.00 C ATOM 1198 O ASN A 75 5.058 12.280 -13.640 1.00 0.00 O ATOM 1199 CB ASN A 75 7.333 12.778 -11.377 1.00 0.00 C ATOM 1200 CG ASN A 75 7.509 12.669 -9.868 1.00 0.00 C ATOM 1201 OD1 ASN A 75 6.599 12.926 -9.099 1.00 0.00 O ATOM 1202 ND2 ASN A 75 8.690 12.334 -9.388 1.00 0.00 N ATOM 0 H ASN A 75 8.248 10.448 -12.933 1.00 0.00 H new ATOM 0 HA ASN A 75 5.854 11.164 -11.476 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.305 12.969 -11.831 1.00 0.00 H new ATOM 0 HB3 ASN A 75 6.704 13.641 -11.596 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.837 12.291 -8.380 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.457 12.117 -10.025 1.00 0.00 H new ATOM 1209 N GLU A 76 7.101 11.845 -14.457 1.00 0.00 N ATOM 1210 CA GLU A 76 6.934 12.281 -15.847 1.00 0.00 C ATOM 1211 C GLU A 76 5.717 11.664 -16.558 1.00 0.00 C ATOM 1212 O GLU A 76 5.137 12.290 -17.454 1.00 0.00 O ATOM 1213 CB GLU A 76 8.242 12.012 -16.628 1.00 0.00 C ATOM 1214 CG GLU A 76 8.746 10.552 -16.676 1.00 0.00 C ATOM 1215 CD GLU A 76 9.685 10.158 -15.519 1.00 0.00 C ATOM 1216 OE1 GLU A 76 9.283 10.331 -14.347 1.00 0.00 O ATOM 1217 OE2 GLU A 76 10.805 9.665 -15.788 1.00 0.00 O ATOM 0 H GLU A 76 8.027 11.445 -14.305 1.00 0.00 H new ATOM 0 HA GLU A 76 6.727 13.351 -15.824 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.100 12.355 -17.653 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.029 12.627 -16.192 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.885 9.884 -16.671 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.267 10.392 -17.620 1.00 0.00 H new ATOM 1224 N LEU A 77 5.294 10.475 -16.114 1.00 0.00 N ATOM 1225 CA LEU A 77 4.088 9.754 -16.530 1.00 0.00 C ATOM 1226 C LEU A 77 2.790 10.550 -16.284 1.00 0.00 C ATOM 1227 O LEU A 77 1.764 10.253 -16.899 1.00 0.00 O ATOM 1228 CB LEU A 77 4.105 8.397 -15.803 1.00 0.00 C ATOM 1229 CG LEU A 77 2.991 7.406 -16.183 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.017 7.001 -17.661 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.179 6.140 -15.350 1.00 0.00 C ATOM 0 H LEU A 77 5.820 9.958 -15.409 1.00 0.00 H new ATOM 0 HA LEU A 77 4.097 9.605 -17.610 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.067 7.920 -15.992 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.047 8.583 -14.731 1.00 0.00 H new ATOM 0 HG LEU A 77 2.039 7.901 -15.994 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.206 6.301 -17.861 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.893 7.887 -18.283 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.971 6.526 -17.891 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.400 5.420 -15.601 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.156 5.706 -15.563 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.115 6.389 -14.291 1.00 0.00 H new ATOM 1243 N GLY A 78 2.842 11.615 -15.470 1.00 0.00 N ATOM 1244 CA GLY A 78 1.775 12.612 -15.320 1.00 0.00 C ATOM 1245 C GLY A 78 1.308 13.179 -16.660 1.00 0.00 C ATOM 1246 O GLY A 78 0.118 13.435 -16.837 1.00 0.00 O ATOM 0 H GLY A 78 3.652 11.811 -14.881 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.928 12.157 -14.807 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.130 13.427 -14.689 1.00 0.00 H new ATOM 1250 N THR A 79 2.242 13.279 -17.617 1.00 0.00 N ATOM 1251 CA THR A 79 2.021 13.670 -19.014 1.00 0.00 C ATOM 1252 C THR A 79 0.998 12.772 -19.720 1.00 0.00 C ATOM 1253 O THR A 79 0.265 13.249 -20.582 1.00 0.00 O ATOM 1254 CB THR A 79 3.353 13.635 -19.793 1.00 0.00 C ATOM 1255 OG1 THR A 79 4.405 14.208 -19.043 1.00 0.00 O ATOM 1256 CG2 THR A 79 3.285 14.401 -21.115 1.00 0.00 C ATOM 0 H THR A 79 3.224 13.078 -17.425 1.00 0.00 H new ATOM 0 HA THR A 79 1.620 14.683 -18.999 1.00 0.00 H new ATOM 0 HB THR A 79 3.538 12.579 -19.987 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.770 13.539 -18.427 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.249 14.342 -21.620 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.516 13.962 -21.751 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.041 15.445 -20.918 1.00 0.00 H new ATOM 1264 N ALA A 80 0.922 11.486 -19.344 1.00 0.00 N ATOM 1265 CA ALA A 80 -0.058 10.538 -19.858 1.00 0.00 C ATOM 1266 C ALA A 80 -1.341 10.504 -19.026 1.00 0.00 C ATOM 1267 O ALA A 80 -2.433 10.576 -19.590 1.00 0.00 O ATOM 1268 CB ALA A 80 0.585 9.150 -19.945 1.00 0.00 C ATOM 0 H ALA A 80 1.557 11.075 -18.659 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.358 10.867 -20.853 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.143 8.435 -20.329 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.444 9.188 -20.615 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.912 8.838 -18.953 1.00 0.00 H new ATOM 1274 N VAL A 81 -1.229 10.354 -17.700 1.00 0.00 N ATOM 1275 CA VAL A 81 -2.400 10.101 -16.845 1.00 0.00 C ATOM 1276 C VAL A 81 -3.205 11.358 -16.502 1.00 0.00 C ATOM 1277 O VAL A 81 -4.415 11.259 -16.299 1.00 0.00 O ATOM 1278 CB VAL A 81 -2.016 9.341 -15.562 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -1.395 7.983 -15.903 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -1.036 10.100 -14.662 1.00 0.00 C ATOM 0 H VAL A 81 -0.344 10.403 -17.196 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.056 9.471 -17.446 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.950 9.221 -15.013 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.131 7.462 -14.983 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.113 7.385 -16.465 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.499 8.134 -16.505 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.814 9.501 -13.779 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.114 10.294 -15.210 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.482 11.046 -14.355 1.00 0.00 H new ATOM 1290 N GLY A 82 -2.574 12.539 -16.428 1.00 0.00 N ATOM 1291 CA GLY A 82 -3.229 13.798 -16.068 1.00 0.00 C ATOM 1292 C GLY A 82 -3.965 13.768 -14.719 1.00 0.00 C ATOM 1293 O GLY A 82 -5.079 14.287 -14.633 1.00 0.00 O ATOM 0 H GLY A 82 -1.578 12.644 -16.620 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.479 14.589 -16.041 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.941 14.060 -16.851 1.00 0.00 H new ATOM 1297 N LYS A 83 -3.384 13.122 -13.697 1.00 0.00 N ATOM 1298 CA LYS A 83 -3.780 13.135 -12.275 1.00 0.00 C ATOM 1299 C LYS A 83 -2.511 13.146 -11.401 1.00 0.00 C ATOM 1300 O LYS A 83 -1.414 12.978 -11.926 1.00 0.00 O ATOM 1301 CB LYS A 83 -4.685 11.929 -11.923 1.00 0.00 C ATOM 1302 CG LYS A 83 -6.114 12.025 -12.494 1.00 0.00 C ATOM 1303 CD LYS A 83 -6.414 10.970 -13.571 1.00 0.00 C ATOM 1304 CE LYS A 83 -7.435 11.445 -14.611 1.00 0.00 C ATOM 1305 NZ LYS A 83 -6.811 12.368 -15.584 1.00 0.00 N ATOM 0 H LYS A 83 -2.565 12.533 -13.851 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.364 14.034 -12.081 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.217 11.017 -12.295 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.744 11.838 -10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.831 11.916 -11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.262 13.018 -12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.486 10.702 -14.077 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.787 10.066 -13.091 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.852 10.585 -15.136 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.264 11.945 -14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.537 12.728 -16.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.376 13.165 -15.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.081 11.861 -16.124 1.00 0.00 H new ATOM 1319 N LEU A 84 -2.666 13.326 -10.081 1.00 0.00 N ATOM 1320 CA LEU A 84 -1.582 13.630 -9.128 1.00 0.00 C ATOM 1321 C LEU A 84 -1.409 12.617 -7.973 1.00 0.00 C ATOM 1322 O LEU A 84 -0.661 12.870 -7.037 1.00 0.00 O ATOM 1323 CB LEU A 84 -1.731 15.091 -8.647 1.00 0.00 C ATOM 1324 CG LEU A 84 -3.088 15.505 -8.031 1.00 0.00 C ATOM 1325 CD1 LEU A 84 -3.452 14.739 -6.757 1.00 0.00 C ATOM 1326 CD2 LEU A 84 -3.050 16.999 -7.697 1.00 0.00 C ATOM 0 H LEU A 84 -3.579 13.262 -9.630 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.641 13.520 -9.667 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.953 15.283 -7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.533 15.746 -9.495 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.847 15.268 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.416 15.087 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.511 13.673 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.689 14.911 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.003 17.299 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.249 17.192 -6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.871 17.571 -8.607 1.00 0.00 H new ATOM 1338 N PHE A 85 -2.071 11.456 -8.046 1.00 0.00 N ATOM 1339 CA PHE A 85 -2.230 10.425 -6.996 1.00 0.00 C ATOM 1340 C PHE A 85 -0.954 9.845 -6.345 1.00 0.00 C ATOM 1341 O PHE A 85 -1.041 9.153 -5.334 1.00 0.00 O ATOM 1342 CB PHE A 85 -3.019 9.272 -7.622 1.00 0.00 C ATOM 1343 CG PHE A 85 -2.242 8.444 -8.634 1.00 0.00 C ATOM 1344 CD1 PHE A 85 -2.146 8.858 -9.978 1.00 0.00 C ATOM 1345 CD2 PHE A 85 -1.597 7.259 -8.225 1.00 0.00 C ATOM 1346 CE1 PHE A 85 -1.408 8.095 -10.899 1.00 0.00 C ATOM 1347 CE2 PHE A 85 -0.871 6.493 -9.152 1.00 0.00 C ATOM 1348 CZ PHE A 85 -0.778 6.908 -10.491 1.00 0.00 C ATOM 0 H PHE A 85 -2.549 11.185 -8.905 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.725 10.937 -6.170 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.367 8.614 -6.826 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.905 9.679 -8.110 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.640 9.763 -10.300 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.661 6.939 -7.195 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.325 8.423 -11.925 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.383 5.583 -8.835 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.224 6.316 -11.204 1.00 0.00 H new ATOM 1358 N ARG A 86 0.193 10.109 -6.974 1.00 0.00 N ATOM 1359 CA ARG A 86 1.604 9.739 -6.724 1.00 0.00 C ATOM 1360 C ARG A 86 2.358 9.659 -8.044 1.00 0.00 C ATOM 1361 O ARG A 86 3.496 10.103 -8.104 1.00 0.00 O ATOM 1362 CB ARG A 86 1.789 8.445 -5.893 1.00 0.00 C ATOM 1363 CG ARG A 86 3.232 7.881 -5.866 1.00 0.00 C ATOM 1364 CD ARG A 86 4.290 8.842 -5.295 1.00 0.00 C ATOM 1365 NE ARG A 86 5.671 8.370 -5.537 1.00 0.00 N ATOM 1366 CZ ARG A 86 6.427 8.580 -6.613 1.00 0.00 C ATOM 1367 NH1 ARG A 86 5.988 9.168 -7.697 1.00 0.00 N ATOM 1368 NH2 ARG A 86 7.680 8.198 -6.594 1.00 0.00 N ATOM 0 H ARG A 86 0.151 10.685 -7.815 1.00 0.00 H new ATOM 0 HA ARG A 86 2.024 10.531 -6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.473 8.642 -4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.123 7.679 -6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.238 6.965 -5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.520 7.608 -6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.162 9.827 -5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.131 8.957 -4.223 1.00 0.00 H new ATOM 0 HE ARG A 86 6.094 7.818 -4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.022 9.491 -7.746 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.612 9.303 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.063 7.747 -5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.272 8.352 -7.410 1.00 0.00 H new ATOM 1382 N VAL A 87 1.719 9.132 -9.094 1.00 0.00 N ATOM 1383 CA VAL A 87 2.249 9.098 -10.467 1.00 0.00 C ATOM 1384 C VAL A 87 3.633 8.411 -10.568 1.00 0.00 C ATOM 1385 O VAL A 87 4.584 8.982 -11.087 1.00 0.00 O ATOM 1386 CB VAL A 87 2.246 10.529 -11.057 1.00 0.00 C ATOM 1387 CG1 VAL A 87 2.338 10.500 -12.580 1.00 0.00 C ATOM 1388 CG2 VAL A 87 0.978 11.332 -10.718 1.00 0.00 C ATOM 0 H VAL A 87 0.796 8.706 -9.014 1.00 0.00 H new ATOM 0 HA VAL A 87 1.590 8.473 -11.070 1.00 0.00 H new ATOM 0 HB VAL A 87 3.114 11.009 -10.605 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.334 11.520 -12.964 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.261 10.003 -12.879 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.485 9.956 -12.986 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.046 12.324 -11.164 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.104 10.815 -11.113 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.885 11.426 -9.636 1.00 0.00 H new ATOM 1398 N GLY A 88 3.824 7.178 -10.091 1.00 0.00 N ATOM 1399 CA GLY A 88 2.866 6.223 -9.526 1.00 0.00 C ATOM 1400 C GLY A 88 2.754 4.924 -10.327 1.00 0.00 C ATOM 1401 O GLY A 88 3.419 4.727 -11.341 1.00 0.00 O ATOM 0 H GLY A 88 4.763 6.779 -10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.161 5.986 -8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.884 6.694 -9.473 1.00 0.00 H new ATOM 1405 N VAL A 89 1.883 4.022 -9.869 1.00 0.00 N ATOM 1406 CA VAL A 89 1.504 2.818 -10.615 1.00 0.00 C ATOM 1407 C VAL A 89 0.239 3.067 -11.439 1.00 0.00 C ATOM 1408 O VAL A 89 -0.733 3.659 -10.962 1.00 0.00 O ATOM 1409 CB VAL A 89 1.383 1.607 -9.670 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.294 1.753 -8.597 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.122 0.317 -10.449 1.00 0.00 C ATOM 0 H VAL A 89 1.418 4.106 -8.965 1.00 0.00 H new ATOM 0 HA VAL A 89 2.293 2.576 -11.327 1.00 0.00 H new ATOM 0 HB VAL A 89 2.346 1.562 -9.161 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.275 0.859 -7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.509 2.623 -7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.676 1.881 -9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.042 -0.518 -9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.192 0.413 -11.010 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.946 0.136 -11.140 1.00 0.00 H new ATOM 1421 N VAL A 90 0.272 2.592 -12.684 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.788 2.683 -13.692 1.00 0.00 C ATOM 1423 C VAL A 90 -0.993 1.285 -14.274 1.00 0.00 C ATOM 1424 O VAL A 90 -0.095 0.437 -14.229 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.399 3.688 -14.805 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.505 3.926 -15.848 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.052 5.033 -14.220 1.00 0.00 C ATOM 0 H VAL A 90 1.092 2.101 -13.040 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.712 3.044 -13.240 1.00 0.00 H new ATOM 0 HB VAL A 90 0.435 3.216 -15.325 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.155 4.641 -16.593 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.752 2.984 -16.338 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.392 4.322 -15.354 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.317 5.712 -15.031 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.759 5.466 -13.635 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.920 4.878 -13.578 1.00 0.00 H new ATOM 1437 N SER A 91 -2.158 0.985 -14.840 1.00 0.00 N ATOM 1438 CA SER A 91 -2.307 -0.201 -15.683 1.00 0.00 C ATOM 1439 C SER A 91 -3.335 0.035 -16.787 1.00 0.00 C ATOM 1440 O SER A 91 -4.190 0.907 -16.653 1.00 0.00 O ATOM 1441 CB SER A 91 -2.652 -1.420 -14.820 1.00 0.00 C ATOM 1442 OG SER A 91 -1.793 -1.502 -13.691 1.00 0.00 O ATOM 0 H SER A 91 -3.007 1.540 -14.733 1.00 0.00 H new ATOM 0 HA SER A 91 -1.358 -0.404 -16.179 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.689 -1.355 -14.489 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.564 -2.329 -15.416 1.00 0.00 H new ATOM 0 HG SER A 91 -0.918 -1.124 -13.918 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.238 -0.742 -17.871 1.00 0.00 N ATOM 1449 CA ILE A 92 -4.039 -0.631 -19.091 1.00 0.00 C ATOM 1450 C ILE A 92 -4.755 -1.965 -19.350 1.00 0.00 C ATOM 1451 O ILE A 92 -4.142 -3.045 -19.294 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.164 -0.224 -20.301 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.265 1.011 -20.053 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -4.040 0.011 -21.545 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -3.011 2.325 -19.811 1.00 0.00 C ATOM 0 H ILE A 92 -2.563 -1.505 -17.922 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.783 0.154 -18.956 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.488 -1.064 -20.465 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.629 0.809 -19.191 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.607 1.139 -20.912 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.408 0.296 -22.386 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.578 -0.905 -21.790 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.755 0.808 -21.341 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.291 3.127 -19.648 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.626 2.560 -20.680 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.648 2.225 -18.932 1.00 0.00 H new ATOM 1467 N LEU A 93 -6.061 -1.848 -19.631 1.00 0.00 N ATOM 1468 CA LEU A 93 -7.037 -2.929 -19.730 1.00 0.00 C ATOM 1469 C LEU A 93 -7.579 -3.077 -21.156 1.00 0.00 C ATOM 1470 O LEU A 93 -7.350 -4.095 -21.803 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.195 -2.696 -18.737 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.815 -2.643 -17.242 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.477 -1.227 -16.756 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -9.001 -3.142 -16.412 1.00 0.00 C ATOM 0 H LEU A 93 -6.484 -0.937 -19.805 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.528 -3.858 -19.474 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.686 -1.759 -18.998 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.929 -3.490 -18.875 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.929 -3.266 -17.120 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.218 -1.258 -15.698 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.632 -0.839 -17.325 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.340 -0.577 -16.900 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.744 -3.109 -15.353 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.867 -2.505 -16.595 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.238 -4.167 -16.696 1.00 0.00 H new ATOM 1486 N GLU A 94 -8.301 -2.061 -21.647 1.00 0.00 N ATOM 1487 CA GLU A 94 -9.026 -2.115 -22.920 1.00 0.00 C ATOM 1488 C GLU A 94 -8.537 -0.996 -23.842 1.00 0.00 C ATOM 1489 O GLU A 94 -9.108 0.099 -23.881 1.00 0.00 O ATOM 1490 CB GLU A 94 -10.556 -2.058 -22.727 1.00 0.00 C ATOM 1491 CG GLU A 94 -11.132 -2.995 -21.654 1.00 0.00 C ATOM 1492 CD GLU A 94 -12.662 -2.880 -21.573 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -13.182 -1.743 -21.672 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -13.316 -3.935 -21.420 1.00 0.00 O ATOM 0 H GLU A 94 -8.398 -1.168 -21.164 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.814 -3.077 -23.387 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.833 -1.034 -22.475 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.032 -2.292 -23.679 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.854 -4.024 -21.881 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.695 -2.753 -20.685 1.00 0.00 H new ATOM 1501 N ALA A 95 -7.456 -1.259 -24.582 1.00 0.00 N ATOM 1502 CA ALA A 95 -6.995 -0.362 -25.633 1.00 0.00 C ATOM 1503 C ALA A 95 -7.889 -0.472 -26.878 1.00 0.00 C ATOM 1504 O ALA A 95 -7.549 -1.158 -27.841 1.00 0.00 O ATOM 1505 CB ALA A 95 -5.530 -0.610 -25.960 1.00 0.00 C ATOM 0 H ALA A 95 -6.883 -2.095 -24.467 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.073 0.662 -25.267 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.212 0.073 -26.748 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.925 -0.443 -25.069 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.402 -1.638 -26.298 1.00 0.00 H new ATOM 1511 N GLY A 96 -8.998 0.275 -26.907 1.00 0.00 N ATOM 1512 CA GLY A 96 -9.719 0.602 -28.148 1.00 0.00 C ATOM 1513 C GLY A 96 -8.936 1.589 -29.031 1.00 0.00 C ATOM 1514 O GLY A 96 -9.523 2.511 -29.589 1.00 0.00 O ATOM 0 H GLY A 96 -9.424 0.672 -26.070 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.908 -0.313 -28.709 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.690 1.030 -27.900 1.00 0.00 H new ATOM 1518 N ASP A 97 -7.607 1.450 -29.066 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.644 2.502 -29.381 1.00 0.00 C ATOM 1520 C ASP A 97 -5.305 1.840 -29.801 1.00 0.00 C ATOM 1521 O ASP A 97 -5.310 0.700 -30.268 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.510 3.388 -28.122 1.00 0.00 C ATOM 1523 CG ASP A 97 -6.184 4.826 -28.488 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -5.169 5.042 -29.184 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -7.001 5.718 -28.139 1.00 0.00 O ATOM 0 H ASP A 97 -7.155 0.558 -28.866 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.962 3.130 -30.213 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.439 3.358 -27.553 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.728 2.989 -27.476 1.00 0.00 H new ATOM 1530 N SER A 98 -4.154 2.514 -29.652 1.00 0.00 N ATOM 1531 CA SER A 98 -2.839 1.882 -29.860 1.00 0.00 C ATOM 1532 C SER A 98 -2.618 0.614 -29.022 1.00 0.00 C ATOM 1533 O SER A 98 -3.005 0.466 -27.865 1.00 0.00 O ATOM 1534 CB SER A 98 -1.668 2.873 -29.699 1.00 0.00 C ATOM 1535 OG SER A 98 -0.421 2.296 -29.295 1.00 0.00 O ATOM 0 H SER A 98 -4.106 3.498 -29.388 1.00 0.00 H new ATOM 0 HA SER A 98 -2.853 1.559 -30.901 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.519 3.389 -30.648 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.953 3.628 -28.967 1.00 0.00 H new ATOM 0 HG SER A 98 -0.048 1.773 -30.035 1.00 0.00 H new ATOM 1541 N ASP A 99 -1.830 -0.247 -29.647 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.235 -1.519 -29.281 1.00 0.00 C ATOM 1543 C ASP A 99 -0.417 -1.577 -27.973 1.00 0.00 C ATOM 1544 O ASP A 99 0.056 -2.663 -27.630 1.00 0.00 O ATOM 1545 CB ASP A 99 -0.284 -1.800 -30.457 1.00 0.00 C ATOM 1546 CG ASP A 99 0.893 -0.800 -30.479 1.00 0.00 C ATOM 1547 OD1 ASP A 99 0.675 0.441 -30.526 1.00 0.00 O ATOM 1548 OD2 ASP A 99 2.050 -1.252 -30.339 1.00 0.00 O ATOM 0 H ASP A 99 -1.545 -0.019 -30.600 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.038 -2.233 -29.097 1.00 0.00 H new ATOM 0 HB2 ASP A 99 0.101 -2.817 -30.381 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -0.835 -1.737 -31.396 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.203 -0.459 -27.256 1.00 0.00 N ATOM 1554 CA ILE A 100 0.836 -0.383 -26.210 1.00 0.00 C ATOM 1555 C ILE A 100 0.695 -1.464 -25.136 1.00 0.00 C ATOM 1556 O ILE A 100 1.698 -1.940 -24.610 1.00 0.00 O ATOM 1557 CB ILE A 100 0.921 1.018 -25.555 1.00 0.00 C ATOM 1558 CG1 ILE A 100 2.355 1.221 -25.018 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.085 1.217 -24.401 1.00 0.00 C ATOM 1560 CD1 ILE A 100 2.616 2.629 -24.494 1.00 0.00 C ATOM 0 H ILE A 100 -0.734 0.403 -27.381 1.00 0.00 H new ATOM 0 HA ILE A 100 1.773 -0.568 -26.736 1.00 0.00 H new ATOM 0 HB ILE A 100 0.668 1.752 -26.321 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.539 0.504 -24.218 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.067 1.000 -25.814 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.029 2.219 -23.988 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.100 1.093 -24.778 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.105 0.479 -23.621 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.642 2.699 -24.133 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.464 3.350 -25.297 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.929 2.846 -23.677 1.00 0.00 H new ATOM 1572 N LEU A 101 -0.540 -1.880 -24.825 1.00 0.00 N ATOM 1573 CA LEU A 101 -0.778 -2.889 -23.800 1.00 0.00 C ATOM 1574 C LEU A 101 -0.239 -4.284 -24.162 1.00 0.00 C ATOM 1575 O LEU A 101 -0.102 -5.111 -23.268 1.00 0.00 O ATOM 1576 CB LEU A 101 -2.228 -2.852 -23.285 1.00 0.00 C ATOM 1577 CG LEU A 101 -3.266 -3.650 -24.087 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -4.655 -3.474 -23.470 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -3.291 -3.190 -25.524 1.00 0.00 C ATOM 0 H LEU A 101 -1.387 -1.529 -25.273 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.167 -2.617 -22.939 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.234 -3.221 -22.259 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.551 -1.811 -23.252 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.988 -4.703 -24.057 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.384 -4.044 -24.046 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.644 -3.834 -22.441 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.928 -2.419 -23.483 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.032 -3.766 -26.078 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.551 -2.132 -25.563 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.308 -3.339 -25.971 1.00 0.00 H new ATOM 1591 N THR A 102 0.118 -4.532 -25.433 1.00 0.00 N ATOM 1592 CA THR A 102 0.988 -5.642 -25.847 1.00 0.00 C ATOM 1593 C THR A 102 2.385 -5.173 -26.282 1.00 0.00 C ATOM 1594 O THR A 102 3.378 -5.732 -25.820 1.00 0.00 O ATOM 1595 CB THR A 102 0.290 -6.561 -26.866 1.00 0.00 C ATOM 1596 OG1 THR A 102 1.069 -7.717 -27.075 1.00 0.00 O ATOM 1597 CG2 THR A 102 -0.016 -5.947 -28.235 1.00 0.00 C ATOM 0 H THR A 102 -0.196 -3.956 -26.214 1.00 0.00 H new ATOM 0 HA THR A 102 1.169 -6.258 -24.966 1.00 0.00 H new ATOM 0 HB THR A 102 -0.677 -6.774 -26.410 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.621 -8.300 -27.723 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.507 -6.689 -28.865 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.673 -5.086 -28.109 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.913 -5.628 -28.707 1.00 0.00 H new ATOM 1605 N THR A 103 2.492 -4.175 -27.172 1.00 0.00 N ATOM 1606 CA THR A 103 3.762 -3.712 -27.756 1.00 0.00 C ATOM 1607 C THR A 103 4.208 -2.361 -27.196 1.00 0.00 C ATOM 1608 O THR A 103 4.036 -1.305 -27.812 1.00 0.00 O ATOM 1609 CB THR A 103 3.766 -3.776 -29.298 1.00 0.00 C ATOM 1610 OG1 THR A 103 2.488 -3.573 -29.845 1.00 0.00 O ATOM 1611 CG2 THR A 103 4.205 -5.162 -29.774 1.00 0.00 C ATOM 0 H THR A 103 1.683 -3.656 -27.513 1.00 0.00 H new ATOM 0 HA THR A 103 4.526 -4.422 -27.438 1.00 0.00 H new ATOM 0 HB THR A 103 4.448 -2.991 -29.624 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.209 -2.646 -29.690 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.202 -5.190 -30.864 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.210 -5.371 -29.408 1.00 0.00 H new ATOM 0 HG23 THR A 103 3.516 -5.914 -29.390 1.00 0.00 H new ATOM 1619 N LEU A 104 4.831 -2.425 -26.017 1.00 0.00 N ATOM 1620 CA LEU A 104 5.548 -1.337 -25.349 1.00 0.00 C ATOM 1621 C LEU A 104 7.074 -1.502 -25.480 1.00 0.00 C ATOM 1622 O LEU A 104 7.717 -0.604 -26.013 1.00 0.00 O ATOM 1623 CB LEU A 104 5.023 -1.230 -23.909 1.00 0.00 C ATOM 1624 CG LEU A 104 5.461 -0.017 -23.071 1.00 0.00 C ATOM 1625 CD1 LEU A 104 4.698 -0.098 -21.747 1.00 0.00 C ATOM 1626 CD2 LEU A 104 6.958 0.027 -22.752 1.00 0.00 C ATOM 0 H LEU A 104 4.849 -3.287 -25.472 1.00 0.00 H new ATOM 0 HA LEU A 104 5.353 -0.381 -25.834 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.934 -1.233 -23.949 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.325 -2.131 -23.375 1.00 0.00 H new ATOM 0 HG LEU A 104 5.247 0.879 -23.654 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.976 0.745 -21.115 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.626 -0.067 -21.942 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.948 -1.030 -21.240 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.178 0.915 -22.159 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.236 -0.864 -22.189 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.527 0.062 -23.681 1.00 0.00 H new ATOM 1638 N ALA A 105 7.716 -2.608 -25.082 1.00 0.00 N ATOM 1639 CA ALA A 105 7.257 -3.792 -24.344 1.00 0.00 C ATOM 1640 C ALA A 105 7.575 -3.716 -22.841 1.00 0.00 C ATOM 1641 O ALA A 105 6.613 -3.633 -22.043 1.00 0.00 O ATOM 1642 CB ALA A 105 7.861 -5.040 -25.004 1.00 0.00 C ATOM 1643 OXT ALA A 105 8.751 -3.877 -22.441 1.00 0.00 O ATOM 0 H ALA A 105 8.707 -2.705 -25.302 1.00 0.00 H new ATOM 0 HA ALA A 105 6.170 -3.843 -24.397 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.531 -5.930 -24.469 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.533 -5.098 -26.042 1.00 0.00 H new ATOM 0 HB3 ALA A 105 8.949 -4.979 -24.970 1.00 0.00 H new TER 1649 ALA A 105