USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1084 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 47 THR OG1 : rot 44:sc= -1.24! USER MOD Set 1.2: A 120 THR OG1 : rot 110:sc= 0.484 USER MOD Set 2.1: A 59 HIS : no HE2:sc= -1.94! C(o=-1!,f=-9!) USER MOD Set 2.2: A 94 TYR OH : rot 14:sc= 0.938 USER MOD Set 3.1: A 41 CYS SG : rot 31:sc= 0.0185 USER MOD Set 3.2: A 46 HIS : no HD1:sc= -0.585 X(o=-0.57,f=-0.59) USER MOD Set 4.1: A 16 SER OG : rot -14:sc= 1 USER MOD Set 4.2: A 123 LYS NZ :NH3+ -149:sc= 1.26 (180deg=0.552) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0669 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 3 HIS : no HD1:sc= -0.0755 X(o=-0.076,f=-0.021) USER MOD Single : A 4 HIS : no HD1:sc= -0.18 X(o=-0.18,f=0.019) USER MOD Single : A 5 HIS : no HD1:sc= -0.259 X(o=-0.26,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc=-0.00764 K(o=-0.0076,f=-2.1) USER MOD Single : A 13 HIS : +bothHN:sc= 1.43 K(o=1.4,f=-8!) USER MOD Single : A 26 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.58) USER MOD Single : A 27 SER OG : rot 130:sc= -0.198 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00503) USER MOD Single : A 31 SER OG : rot 180:sc= 0.149 USER MOD Single : A 32 HIS : no HD1:sc= -0.0447 X(o=-0.045,f=-0.0039) USER MOD Single : A 33 MET CE :methyl 155:sc= -3.77! (180deg=-4.66!) USER MOD Single : A 42 SER OG : rot -38:sc= 0.644 USER MOD Single : A 52 TYR OH : rot -130:sc= -0.98 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : +bothHN:sc= -0.562 K(o=-0.56,f=-2.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 0.755 (180deg=0.404) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 115:sc= -3.52! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.194 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.859 K(o=0.86,f=-0.24) USER MOD Single : A 81 THR OG1 : rot 170:sc= -1.52! USER MOD Single : A 86 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.7) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.71 K(o=-0.71,f=-1.5) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.43) USER MOD Single : A 103 GLN : amide:sc= -1.97! C(o=-2!,f=-4.4!) USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= 0.928 (180deg=0.288) USER MOD Single : A 117 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.0065) USER MOD Single : A 125 SER OG : rot -96:sc= 1.07 USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.703 -6.752 -14.793 1.00 33.51 N ATOM 2 CA GLY A 1 -24.769 -6.911 -15.898 1.00 74.22 C ATOM 3 C GLY A 1 -23.532 -6.104 -15.660 1.00 75.42 C ATOM 4 O GLY A 1 -23.613 -5.018 -15.071 1.00 60.10 O ATOM 0 H1 GLY A 1 -26.672 -6.686 -15.164 1.00 33.51 H new ATOM 0 H2 GLY A 1 -25.631 -7.572 -14.157 1.00 33.51 H new ATOM 0 H3 GLY A 1 -25.474 -5.884 -14.267 1.00 33.51 H new ATOM 0 HA2 GLY A 1 -24.507 -7.963 -16.012 1.00 74.22 H new ATOM 0 HA3 GLY A 1 -25.241 -6.597 -16.829 1.00 74.22 H new ATOM 10 N HIS A 2 -22.384 -6.640 -16.099 1.00 25.02 N ATOM 11 CA HIS A 2 -21.072 -6.004 -15.952 1.00 74.04 C ATOM 12 C HIS A 2 -20.722 -5.822 -14.478 1.00 74.10 C ATOM 13 O HIS A 2 -21.176 -4.886 -13.836 1.00 53.32 O ATOM 14 CB HIS A 2 -21.016 -4.649 -16.714 1.00 31.14 C ATOM 15 CG HIS A 2 -19.688 -3.937 -16.663 1.00 24.12 C ATOM 16 ND1 HIS A 2 -19.437 -2.848 -15.850 1.00 1.14 N ATOM 17 CD2 HIS A 2 -18.547 -4.149 -17.352 1.00 71.22 C ATOM 18 CE1 HIS A 2 -18.210 -2.427 -16.046 1.00 24.41 C ATOM 19 NE2 HIS A 2 -17.649 -3.196 -16.950 1.00 43.32 N ATOM 0 H HIS A 2 -22.343 -7.542 -16.573 1.00 25.02 H new ATOM 0 HA HIS A 2 -20.326 -6.663 -16.397 1.00 74.04 H new ATOM 0 HB2 HIS A 2 -21.275 -4.827 -17.758 1.00 31.14 H new ATOM 0 HB3 HIS A 2 -21.780 -3.988 -16.304 1.00 31.14 H new ATOM 0 HD2 HIS A 2 -18.374 -4.925 -18.083 1.00 71.22 H new ATOM 0 HE1 HIS A 2 -17.741 -1.591 -15.549 1.00 24.41 H new ATOM 0 HE2 HIS A 2 -16.695 -3.099 -17.298 1.00 43.32 H new ATOM 28 N HIS A 3 -19.937 -6.718 -13.938 1.00 74.44 N ATOM 29 CA HIS A 3 -19.564 -6.616 -12.546 1.00 63.11 C ATOM 30 C HIS A 3 -18.049 -6.566 -12.340 1.00 1.22 C ATOM 31 O HIS A 3 -17.374 -7.582 -12.223 1.00 51.44 O ATOM 32 CB HIS A 3 -20.274 -7.668 -11.643 1.00 53.23 C ATOM 33 CG HIS A 3 -19.993 -9.114 -11.963 1.00 60.34 C ATOM 34 ND1 HIS A 3 -20.706 -9.839 -12.893 1.00 13.20 N ATOM 35 CD2 HIS A 3 -19.076 -9.970 -11.457 1.00 45.22 C ATOM 36 CE1 HIS A 3 -20.239 -11.063 -12.936 1.00 54.21 C ATOM 37 NE2 HIS A 3 -19.255 -11.164 -12.082 1.00 63.43 N ATOM 0 H HIS A 3 -19.546 -7.520 -14.432 1.00 74.44 H new ATOM 0 HA HIS A 3 -19.938 -5.650 -12.208 1.00 63.11 H new ATOM 0 HB2 HIS A 3 -19.985 -7.483 -10.608 1.00 53.23 H new ATOM 0 HB3 HIS A 3 -21.350 -7.505 -11.707 1.00 53.23 H new ATOM 0 HD2 HIS A 3 -18.340 -9.747 -10.699 1.00 45.22 H new ATOM 0 HE1 HIS A 3 -20.606 -11.856 -13.571 1.00 54.21 H new ATOM 0 HE2 HIS A 3 -18.707 -12.007 -11.911 1.00 63.43 H new ATOM 46 N HIS A 4 -17.533 -5.370 -12.375 1.00 41.42 N ATOM 47 CA HIS A 4 -16.116 -5.100 -12.113 1.00 22.54 C ATOM 48 C HIS A 4 -16.010 -3.862 -11.234 1.00 64.02 C ATOM 49 O HIS A 4 -15.025 -3.645 -10.538 1.00 23.33 O ATOM 50 CB HIS A 4 -15.341 -4.894 -13.434 1.00 53.25 C ATOM 51 CG HIS A 4 -13.869 -4.579 -13.253 1.00 21.01 C ATOM 52 ND1 HIS A 4 -13.296 -3.403 -13.669 1.00 71.22 N ATOM 53 CD2 HIS A 4 -12.862 -5.306 -12.716 1.00 41.11 C ATOM 54 CE1 HIS A 4 -12.013 -3.419 -13.399 1.00 71.13 C ATOM 55 NE2 HIS A 4 -11.718 -4.558 -12.822 1.00 74.24 N ATOM 0 H HIS A 4 -18.077 -4.534 -12.587 1.00 41.42 H new ATOM 0 HA HIS A 4 -15.673 -5.955 -11.602 1.00 22.54 H new ATOM 0 HB2 HIS A 4 -15.436 -5.794 -14.041 1.00 53.25 H new ATOM 0 HB3 HIS A 4 -15.808 -4.083 -13.992 1.00 53.25 H new ATOM 0 HD2 HIS A 4 -12.944 -6.292 -12.284 1.00 41.11 H new ATOM 0 HE1 HIS A 4 -11.315 -2.624 -13.616 1.00 71.13 H new ATOM 0 HE2 HIS A 4 -10.791 -4.841 -12.504 1.00 74.24 H new ATOM 64 N HIS A 5 -17.050 -3.072 -11.273 1.00 34.43 N ATOM 65 CA HIS A 5 -17.150 -1.855 -10.512 1.00 12.35 C ATOM 66 C HIS A 5 -18.170 -2.110 -9.388 1.00 52.31 C ATOM 67 O HIS A 5 -18.602 -1.196 -8.681 1.00 61.22 O ATOM 68 CB HIS A 5 -17.638 -0.732 -11.476 1.00 72.03 C ATOM 69 CG HIS A 5 -17.585 0.690 -10.968 1.00 10.11 C ATOM 70 ND1 HIS A 5 -16.660 1.603 -11.424 1.00 13.24 N ATOM 71 CD2 HIS A 5 -18.380 1.373 -10.108 1.00 33.11 C ATOM 72 CE1 HIS A 5 -16.884 2.775 -10.873 1.00 13.51 C ATOM 73 NE2 HIS A 5 -17.922 2.661 -10.071 1.00 62.33 N ATOM 0 H HIS A 5 -17.871 -3.261 -11.848 1.00 34.43 H new ATOM 0 HA HIS A 5 -16.199 -1.550 -10.074 1.00 12.35 H new ATOM 0 HB2 HIS A 5 -17.042 -0.787 -12.387 1.00 72.03 H new ATOM 0 HB3 HIS A 5 -18.668 -0.952 -11.756 1.00 72.03 H new ATOM 0 HD2 HIS A 5 -19.218 0.974 -9.556 1.00 33.11 H new ATOM 0 HE1 HIS A 5 -16.315 3.676 -11.048 1.00 13.51 H new ATOM 0 HE2 HIS A 5 -18.321 3.414 -9.511 1.00 62.33 H new ATOM 82 N HIS A 6 -18.520 -3.383 -9.203 1.00 52.34 N ATOM 83 CA HIS A 6 -19.528 -3.767 -8.233 1.00 34.24 C ATOM 84 C HIS A 6 -18.923 -3.869 -6.834 1.00 64.43 C ATOM 85 O HIS A 6 -18.656 -4.947 -6.318 1.00 74.12 O ATOM 86 CB HIS A 6 -20.276 -5.058 -8.648 1.00 75.03 C ATOM 87 CG HIS A 6 -21.392 -5.461 -7.720 1.00 41.42 C ATOM 88 ND1 HIS A 6 -21.342 -6.580 -6.926 1.00 22.41 N ATOM 89 CD2 HIS A 6 -22.597 -4.894 -7.487 1.00 2.41 C ATOM 90 CE1 HIS A 6 -22.462 -6.685 -6.245 1.00 63.21 C ATOM 91 NE2 HIS A 6 -23.242 -5.674 -6.566 1.00 63.44 N ATOM 0 H HIS A 6 -18.114 -4.164 -9.718 1.00 52.34 H new ATOM 0 HA HIS A 6 -20.281 -2.979 -8.207 1.00 34.24 H new ATOM 0 HB2 HIS A 6 -20.685 -4.920 -9.649 1.00 75.03 H new ATOM 0 HB3 HIS A 6 -19.557 -5.875 -8.708 1.00 75.03 H new ATOM 0 HD2 HIS A 6 -22.980 -3.993 -7.943 1.00 2.41 H new ATOM 0 HE1 HIS A 6 -22.702 -7.468 -5.541 1.00 63.21 H new ATOM 0 HE2 HIS A 6 -24.174 -5.501 -6.190 1.00 63.44 H new ATOM 100 N HIS A 7 -18.651 -2.710 -6.310 1.00 43.54 N ATOM 101 CA HIS A 7 -18.117 -2.423 -4.973 1.00 32.13 C ATOM 102 C HIS A 7 -18.224 -0.944 -4.776 1.00 43.41 C ATOM 103 O HIS A 7 -18.442 -0.467 -3.663 1.00 75.00 O ATOM 104 CB HIS A 7 -16.639 -2.888 -4.735 1.00 22.32 C ATOM 105 CG HIS A 7 -16.465 -4.360 -4.454 1.00 22.33 C ATOM 106 ND1 HIS A 7 -15.528 -5.161 -5.069 1.00 51.40 N ATOM 107 CD2 HIS A 7 -17.106 -5.166 -3.573 1.00 71.34 C ATOM 108 CE1 HIS A 7 -15.611 -6.381 -4.581 1.00 74.33 C ATOM 109 NE2 HIS A 7 -16.556 -6.405 -3.677 1.00 2.12 N ATOM 0 H HIS A 7 -18.804 -1.852 -6.840 1.00 43.54 H new ATOM 0 HA HIS A 7 -18.701 -2.994 -4.251 1.00 32.13 H new ATOM 0 HB2 HIS A 7 -16.048 -2.630 -5.614 1.00 22.32 H new ATOM 0 HB3 HIS A 7 -16.228 -2.324 -3.898 1.00 22.32 H new ATOM 0 HD1 HIS A 7 -14.873 -4.857 -5.789 1.00 51.40 H new ATOM 0 HD2 HIS A 7 -17.907 -4.877 -2.909 1.00 71.34 H new ATOM 0 HE1 HIS A 7 -15.001 -7.221 -4.878 1.00 74.33 H new ATOM 118 N LEU A 8 -18.089 -0.223 -5.904 1.00 4.42 N ATOM 119 CA LEU A 8 -18.220 1.220 -5.972 1.00 44.11 C ATOM 120 C LEU A 8 -17.049 1.921 -5.317 1.00 13.13 C ATOM 121 O LEU A 8 -16.941 1.963 -4.095 1.00 32.13 O ATOM 122 CB LEU A 8 -19.588 1.754 -5.441 1.00 4.22 C ATOM 123 CG LEU A 8 -20.869 1.425 -6.264 1.00 33.12 C ATOM 124 CD1 LEU A 8 -21.170 -0.065 -6.321 1.00 30.21 C ATOM 125 CD2 LEU A 8 -22.061 2.177 -5.709 1.00 34.12 C ATOM 0 H LEU A 8 -17.881 -0.650 -6.807 1.00 4.42 H new ATOM 0 HA LEU A 8 -18.204 1.466 -7.034 1.00 44.11 H new ATOM 0 HB2 LEU A 8 -19.730 1.365 -4.433 1.00 4.22 H new ATOM 0 HB3 LEU A 8 -19.514 2.838 -5.357 1.00 4.22 H new ATOM 0 HG LEU A 8 -20.675 1.749 -7.286 1.00 33.12 H new ATOM 0 HD11 LEU A 8 -22.073 -0.232 -6.908 1.00 30.21 H new ATOM 0 HD12 LEU A 8 -20.334 -0.588 -6.786 1.00 30.21 H new ATOM 0 HD13 LEU A 8 -21.319 -0.445 -5.310 1.00 30.21 H new ATOM 0 HD21 LEU A 8 -22.948 1.936 -6.295 1.00 34.12 H new ATOM 0 HD22 LEU A 8 -22.223 1.888 -4.671 1.00 34.12 H new ATOM 0 HD23 LEU A 8 -21.871 3.249 -5.761 1.00 34.12 H new ATOM 137 N GLU A 9 -16.171 2.450 -6.161 1.00 13.42 N ATOM 138 CA GLU A 9 -14.984 3.191 -5.751 1.00 24.15 C ATOM 139 C GLU A 9 -13.857 2.304 -5.269 1.00 41.42 C ATOM 140 O GLU A 9 -13.873 1.774 -4.154 1.00 62.34 O ATOM 141 CB GLU A 9 -15.281 4.360 -4.777 1.00 72.14 C ATOM 142 CG GLU A 9 -15.976 5.574 -5.407 1.00 64.32 C ATOM 143 CD GLU A 9 -17.272 5.254 -6.099 1.00 42.01 C ATOM 144 OE1 GLU A 9 -18.296 5.073 -5.421 1.00 52.42 O ATOM 145 OE2 GLU A 9 -17.287 5.175 -7.353 1.00 14.55 O ATOM 0 H GLU A 9 -16.267 2.374 -7.174 1.00 13.42 H new ATOM 0 HA GLU A 9 -14.625 3.660 -6.667 1.00 24.15 H new ATOM 0 HB2 GLU A 9 -15.904 3.986 -3.965 1.00 72.14 H new ATOM 0 HB3 GLU A 9 -14.342 4.689 -4.333 1.00 72.14 H new ATOM 0 HG2 GLU A 9 -16.166 6.314 -4.629 1.00 64.32 H new ATOM 0 HG3 GLU A 9 -15.298 6.034 -6.126 1.00 64.32 H new ATOM 152 N LEU A 10 -12.902 2.117 -6.140 1.00 72.42 N ATOM 153 CA LEU A 10 -11.685 1.405 -5.838 1.00 73.11 C ATOM 154 C LEU A 10 -10.534 2.323 -6.205 1.00 72.24 C ATOM 155 O LEU A 10 -10.215 2.485 -7.391 1.00 43.21 O ATOM 156 CB LEU A 10 -11.593 0.102 -6.656 1.00 14.15 C ATOM 157 CG LEU A 10 -12.705 -0.935 -6.450 1.00 14.44 C ATOM 158 CD1 LEU A 10 -12.505 -2.115 -7.385 1.00 43.52 C ATOM 159 CD2 LEU A 10 -12.744 -1.411 -5.006 1.00 54.52 C ATOM 0 H LEU A 10 -12.947 2.461 -7.099 1.00 72.42 H new ATOM 0 HA LEU A 10 -11.657 1.133 -4.783 1.00 73.11 H new ATOM 0 HB2 LEU A 10 -11.570 0.368 -7.713 1.00 14.15 H new ATOM 0 HB3 LEU A 10 -10.640 -0.374 -6.426 1.00 14.15 H new ATOM 0 HG LEU A 10 -13.659 -0.460 -6.679 1.00 14.44 H new ATOM 0 HD11 LEU A 10 -13.301 -2.843 -7.228 1.00 43.52 H new ATOM 0 HD12 LEU A 10 -12.529 -1.769 -8.418 1.00 43.52 H new ATOM 0 HD13 LEU A 10 -11.541 -2.582 -7.181 1.00 43.52 H new ATOM 0 HD21 LEU A 10 -13.541 -2.145 -4.886 1.00 54.52 H new ATOM 0 HD22 LEU A 10 -11.788 -1.867 -4.747 1.00 54.52 H new ATOM 0 HD23 LEU A 10 -12.931 -0.562 -4.348 1.00 54.52 H new ATOM 171 N GLU A 11 -9.940 2.944 -5.222 1.00 72.45 N ATOM 172 CA GLU A 11 -8.901 3.920 -5.467 1.00 52.44 C ATOM 173 C GLU A 11 -7.719 3.645 -4.583 1.00 0.41 C ATOM 174 O GLU A 11 -7.804 3.769 -3.382 1.00 71.20 O ATOM 175 CB GLU A 11 -9.415 5.342 -5.186 1.00 72.31 C ATOM 176 CG GLU A 11 -10.639 5.734 -5.987 1.00 34.24 C ATOM 177 CD GLU A 11 -11.074 7.150 -5.728 1.00 41.02 C ATOM 178 OE1 GLU A 11 -10.555 8.076 -6.406 1.00 21.02 O ATOM 179 OE2 GLU A 11 -11.943 7.376 -4.864 1.00 73.33 O ATOM 0 H GLU A 11 -10.156 2.793 -4.237 1.00 72.45 H new ATOM 0 HA GLU A 11 -8.606 3.846 -6.514 1.00 52.44 H new ATOM 0 HB2 GLU A 11 -9.647 5.428 -4.125 1.00 72.31 H new ATOM 0 HB3 GLU A 11 -8.615 6.052 -5.396 1.00 72.31 H new ATOM 0 HG2 GLU A 11 -10.427 5.612 -7.049 1.00 34.24 H new ATOM 0 HG3 GLU A 11 -11.458 5.057 -5.745 1.00 34.24 H new ATOM 186 N VAL A 12 -6.628 3.283 -5.153 1.00 61.44 N ATOM 187 CA VAL A 12 -5.467 3.019 -4.362 1.00 23.12 C ATOM 188 C VAL A 12 -4.376 3.955 -4.787 1.00 35.41 C ATOM 189 O VAL A 12 -4.064 4.075 -5.977 1.00 51.35 O ATOM 190 CB VAL A 12 -5.028 1.537 -4.419 1.00 21.23 C ATOM 191 CG1 VAL A 12 -3.850 1.294 -3.495 1.00 71.10 C ATOM 192 CG2 VAL A 12 -6.183 0.655 -3.996 1.00 51.53 C ATOM 0 H VAL A 12 -6.507 3.161 -6.158 1.00 61.44 H new ATOM 0 HA VAL A 12 -5.706 3.198 -3.314 1.00 23.12 H new ATOM 0 HB VAL A 12 -4.730 1.300 -5.440 1.00 21.23 H new ATOM 0 HG11 VAL A 12 -3.556 0.246 -3.549 1.00 71.10 H new ATOM 0 HG12 VAL A 12 -3.013 1.922 -3.800 1.00 71.10 H new ATOM 0 HG13 VAL A 12 -4.134 1.539 -2.472 1.00 71.10 H new ATOM 0 HG21 VAL A 12 -5.876 -0.390 -4.035 1.00 51.53 H new ATOM 0 HG22 VAL A 12 -6.480 0.908 -2.978 1.00 51.53 H new ATOM 0 HG23 VAL A 12 -7.026 0.811 -4.669 1.00 51.53 H new ATOM 202 N HIS A 13 -3.831 4.642 -3.835 1.00 31.32 N ATOM 203 CA HIS A 13 -2.893 5.691 -4.098 1.00 14.42 C ATOM 204 C HIS A 13 -1.907 5.811 -2.976 1.00 62.10 C ATOM 205 O HIS A 13 -2.205 5.455 -1.852 1.00 50.03 O ATOM 206 CB HIS A 13 -3.654 7.032 -4.288 1.00 73.23 C ATOM 207 CG HIS A 13 -4.545 7.449 -3.113 1.00 75.25 C ATOM 208 ND1 HIS A 13 -4.335 8.587 -2.370 1.00 60.10 N ATOM 209 CD2 HIS A 13 -5.675 6.882 -2.602 1.00 63.55 C ATOM 210 CE1 HIS A 13 -5.284 8.697 -1.459 1.00 41.22 C ATOM 211 NE2 HIS A 13 -6.106 7.680 -1.582 1.00 43.53 N ATOM 0 H HIS A 13 -4.024 4.491 -2.845 1.00 31.32 H new ATOM 0 HA HIS A 13 -2.345 5.454 -5.010 1.00 14.42 H new ATOM 0 HB2 HIS A 13 -2.925 7.822 -4.469 1.00 73.23 H new ATOM 0 HB3 HIS A 13 -4.272 6.957 -5.183 1.00 73.23 H new ATOM 0 HD1 HIS A 13 -3.566 9.244 -2.502 1.00 60.10 H new ATOM 0 HD2 HIS A 13 -6.143 5.970 -2.942 1.00 63.55 H new ATOM 0 HE1 HIS A 13 -5.370 9.492 -0.733 1.00 41.22 H new ATOM 0 HE2 HIS A 13 -6.933 7.514 -1.008 1.00 43.53 H new ATOM 220 N ILE A 14 -0.746 6.288 -3.281 1.00 1.41 N ATOM 221 CA ILE A 14 0.249 6.536 -2.282 1.00 71.50 C ATOM 222 C ILE A 14 0.423 8.040 -2.206 1.00 23.30 C ATOM 223 O ILE A 14 1.029 8.630 -3.081 1.00 44.24 O ATOM 224 CB ILE A 14 1.603 5.857 -2.633 1.00 40.13 C ATOM 225 CG1 ILE A 14 1.389 4.349 -2.831 1.00 44.44 C ATOM 226 CG2 ILE A 14 2.642 6.114 -1.538 1.00 63.11 C ATOM 227 CD1 ILE A 14 2.649 3.579 -3.133 1.00 14.03 C ATOM 0 H ILE A 14 -0.456 6.519 -4.231 1.00 1.41 H new ATOM 0 HA ILE A 14 -0.069 6.118 -1.327 1.00 71.50 H new ATOM 0 HB ILE A 14 1.982 6.288 -3.560 1.00 40.13 H new ATOM 0 HG12 ILE A 14 0.932 3.937 -1.931 1.00 44.44 H new ATOM 0 HG13 ILE A 14 0.681 4.198 -3.646 1.00 44.44 H new ATOM 0 HG21 ILE A 14 3.581 5.629 -1.806 1.00 63.11 H new ATOM 0 HG22 ILE A 14 2.804 7.187 -1.435 1.00 63.11 H new ATOM 0 HG23 ILE A 14 2.282 5.709 -0.592 1.00 63.11 H new ATOM 0 HD11 ILE A 14 2.409 2.523 -3.258 1.00 14.03 H new ATOM 0 HD12 ILE A 14 3.098 3.961 -4.050 1.00 14.03 H new ATOM 0 HD13 ILE A 14 3.353 3.696 -2.309 1.00 14.03 H new ATOM 239 N PRO A 15 -0.167 8.694 -1.197 1.00 75.14 N ATOM 240 CA PRO A 15 -0.135 10.150 -1.101 1.00 40.44 C ATOM 241 C PRO A 15 1.260 10.712 -0.853 1.00 63.31 C ATOM 242 O PRO A 15 1.592 11.789 -1.357 1.00 63.13 O ATOM 243 CB PRO A 15 -1.030 10.451 0.107 1.00 51.55 C ATOM 244 CG PRO A 15 -1.795 9.199 0.364 1.00 71.31 C ATOM 245 CD PRO A 15 -0.928 8.083 -0.103 1.00 44.52 C ATOM 0 HA PRO A 15 -0.462 10.607 -2.035 1.00 40.44 H new ATOM 0 HB2 PRO A 15 -0.434 10.731 0.976 1.00 51.55 H new ATOM 0 HB3 PRO A 15 -1.701 11.284 -0.101 1.00 51.55 H new ATOM 0 HG2 PRO A 15 -2.027 9.095 1.424 1.00 71.31 H new ATOM 0 HG3 PRO A 15 -2.744 9.205 -0.171 1.00 71.31 H new ATOM 0 HD2 PRO A 15 -0.274 7.720 0.690 1.00 44.52 H new ATOM 0 HD3 PRO A 15 -1.516 7.231 -0.446 1.00 44.52 H new ATOM 253 N SER A 16 2.083 9.968 -0.132 1.00 61.53 N ATOM 254 CA SER A 16 3.436 10.384 0.231 1.00 35.41 C ATOM 255 C SER A 16 4.194 9.184 0.802 1.00 43.32 C ATOM 256 O SER A 16 3.579 8.157 1.154 1.00 14.11 O ATOM 257 CB SER A 16 3.400 11.499 1.325 1.00 34.43 C ATOM 258 OG SER A 16 2.700 12.668 0.905 1.00 54.22 O ATOM 0 H SER A 16 1.831 9.046 0.224 1.00 61.53 H new ATOM 0 HA SER A 16 3.927 10.769 -0.663 1.00 35.41 H new ATOM 0 HB2 SER A 16 2.928 11.103 2.224 1.00 34.43 H new ATOM 0 HB3 SER A 16 4.421 11.770 1.594 1.00 34.43 H new ATOM 0 HG SER A 16 2.564 12.637 -0.065 1.00 54.22 H new ATOM 264 N VAL A 17 5.508 9.292 0.867 1.00 61.54 N ATOM 265 CA VAL A 17 6.311 8.306 1.545 1.00 72.20 C ATOM 266 C VAL A 17 6.928 9.028 2.727 1.00 15.54 C ATOM 267 O VAL A 17 7.593 10.048 2.543 1.00 52.22 O ATOM 268 CB VAL A 17 7.460 7.722 0.671 1.00 22.21 C ATOM 269 CG1 VAL A 17 8.117 6.539 1.360 1.00 74.23 C ATOM 270 CG2 VAL A 17 7.007 7.353 -0.726 1.00 13.31 C ATOM 0 H VAL A 17 6.039 10.059 0.454 1.00 61.54 H new ATOM 0 HA VAL A 17 5.679 7.461 1.816 1.00 72.20 H new ATOM 0 HB VAL A 17 8.200 8.515 0.558 1.00 22.21 H new ATOM 0 HG11 VAL A 17 8.916 6.149 0.730 1.00 74.23 H new ATOM 0 HG12 VAL A 17 8.532 6.859 2.316 1.00 74.23 H new ATOM 0 HG13 VAL A 17 7.375 5.759 1.530 1.00 74.23 H new ATOM 0 HG21 VAL A 17 7.850 6.952 -1.288 1.00 13.31 H new ATOM 0 HG22 VAL A 17 6.220 6.601 -0.667 1.00 13.31 H new ATOM 0 HG23 VAL A 17 6.624 8.240 -1.231 1.00 13.31 H new ATOM 280 N GLY A 18 6.716 8.531 3.905 1.00 65.43 N ATOM 281 CA GLY A 18 7.182 9.225 5.065 1.00 23.55 C ATOM 282 C GLY A 18 8.199 8.434 5.850 1.00 44.11 C ATOM 283 O GLY A 18 7.990 7.255 6.123 1.00 51.34 O ATOM 0 H GLY A 18 6.227 7.655 4.089 1.00 65.43 H new ATOM 0 HA2 GLY A 18 7.622 10.175 4.762 1.00 23.55 H new ATOM 0 HA3 GLY A 18 6.334 9.458 5.709 1.00 23.55 H new ATOM 287 N PRO A 19 9.334 9.029 6.192 1.00 52.33 N ATOM 288 CA PRO A 19 10.307 8.393 7.051 1.00 35.35 C ATOM 289 C PRO A 19 9.825 8.397 8.501 1.00 0.43 C ATOM 290 O PRO A 19 9.741 9.457 9.136 1.00 60.20 O ATOM 291 CB PRO A 19 11.572 9.260 6.898 1.00 35.31 C ATOM 292 CG PRO A 19 11.276 10.206 5.782 1.00 54.41 C ATOM 293 CD PRO A 19 9.788 10.352 5.746 1.00 20.22 C ATOM 0 HA PRO A 19 10.481 7.350 6.786 1.00 35.35 H new ATOM 0 HB2 PRO A 19 11.793 9.798 7.820 1.00 35.31 H new ATOM 0 HB3 PRO A 19 12.443 8.646 6.671 1.00 35.31 H new ATOM 0 HG2 PRO A 19 11.758 11.169 5.949 1.00 54.41 H new ATOM 0 HG3 PRO A 19 11.653 9.821 4.834 1.00 54.41 H new ATOM 0 HD2 PRO A 19 9.441 11.146 6.408 1.00 20.22 H new ATOM 0 HD3 PRO A 19 9.427 10.590 4.746 1.00 20.22 H new ATOM 301 N GLU A 20 9.458 7.233 9.003 1.00 10.44 N ATOM 302 CA GLU A 20 8.985 7.122 10.378 1.00 32.34 C ATOM 303 C GLU A 20 10.152 6.872 11.297 1.00 31.24 C ATOM 304 O GLU A 20 10.448 7.675 12.174 1.00 14.31 O ATOM 305 CB GLU A 20 7.966 5.986 10.535 1.00 43.20 C ATOM 306 CG GLU A 20 6.704 6.138 9.709 1.00 44.50 C ATOM 307 CD GLU A 20 5.814 7.287 10.109 1.00 64.34 C ATOM 308 OE1 GLU A 20 6.176 8.452 9.868 1.00 2.44 O ATOM 309 OE2 GLU A 20 4.687 7.035 10.598 1.00 74.35 O ATOM 0 H GLU A 20 9.476 6.354 8.486 1.00 10.44 H new ATOM 0 HA GLU A 20 8.494 8.060 10.638 1.00 32.34 H new ATOM 0 HB2 GLU A 20 8.448 5.046 10.265 1.00 43.20 H new ATOM 0 HB3 GLU A 20 7.687 5.911 11.586 1.00 43.20 H new ATOM 0 HG2 GLU A 20 6.985 6.263 8.663 1.00 44.50 H new ATOM 0 HG3 GLU A 20 6.130 5.214 9.776 1.00 44.50 H new ATOM 316 N ALA A 21 10.828 5.768 11.082 1.00 1.31 N ATOM 317 CA ALA A 21 11.932 5.390 11.926 1.00 13.02 C ATOM 318 C ALA A 21 13.228 5.340 11.143 1.00 71.41 C ATOM 319 O ALA A 21 13.239 4.996 9.963 1.00 55.21 O ATOM 320 CB ALA A 21 11.653 4.044 12.578 1.00 21.31 C ATOM 0 H ALA A 21 10.630 5.114 10.325 1.00 1.31 H new ATOM 0 HA ALA A 21 12.041 6.146 12.704 1.00 13.02 H new ATOM 0 HB1 ALA A 21 12.493 3.767 13.214 1.00 21.31 H new ATOM 0 HB2 ALA A 21 10.748 4.113 13.182 1.00 21.31 H new ATOM 0 HB3 ALA A 21 11.517 3.287 11.806 1.00 21.31 H new ATOM 326 N GLU A 22 14.304 5.696 11.789 1.00 52.52 N ATOM 327 CA GLU A 22 15.617 5.641 11.189 1.00 72.22 C ATOM 328 C GLU A 22 16.242 4.300 11.485 1.00 42.24 C ATOM 329 O GLU A 22 16.494 3.985 12.647 1.00 4.41 O ATOM 330 CB GLU A 22 16.499 6.751 11.731 1.00 15.01 C ATOM 331 CG GLU A 22 15.999 8.139 11.418 1.00 14.24 C ATOM 332 CD GLU A 22 16.875 9.197 12.008 1.00 3.21 C ATOM 333 OE1 GLU A 22 17.842 9.628 11.347 1.00 1.03 O ATOM 334 OE2 GLU A 22 16.615 9.618 13.144 1.00 55.24 O ATOM 0 H GLU A 22 14.299 6.035 12.751 1.00 52.52 H new ATOM 0 HA GLU A 22 15.521 5.774 10.111 1.00 72.22 H new ATOM 0 HB2 GLU A 22 16.581 6.641 12.812 1.00 15.01 H new ATOM 0 HB3 GLU A 22 17.503 6.636 11.322 1.00 15.01 H new ATOM 0 HG2 GLU A 22 15.949 8.271 10.337 1.00 14.24 H new ATOM 0 HG3 GLU A 22 14.985 8.254 11.800 1.00 14.24 H new ATOM 341 N GLY A 23 16.453 3.512 10.436 1.00 22.53 N ATOM 342 CA GLY A 23 17.043 2.186 10.554 1.00 0.11 C ATOM 343 C GLY A 23 16.308 1.298 11.544 1.00 21.40 C ATOM 344 O GLY A 23 16.744 1.156 12.690 1.00 61.31 O ATOM 0 H GLY A 23 16.219 3.776 9.479 1.00 22.53 H new ATOM 0 HA2 GLY A 23 17.045 1.706 9.575 1.00 0.11 H new ATOM 0 HA3 GLY A 23 18.084 2.283 10.864 1.00 0.11 H new ATOM 348 N PRO A 24 15.183 0.687 11.145 1.00 52.10 N ATOM 349 CA PRO A 24 14.437 -0.188 12.041 1.00 53.41 C ATOM 350 C PRO A 24 15.155 -1.533 12.179 1.00 14.20 C ATOM 351 O PRO A 24 15.345 -2.053 13.275 1.00 0.52 O ATOM 352 CB PRO A 24 13.078 -0.333 11.349 1.00 30.31 C ATOM 353 CG PRO A 24 13.324 -0.049 9.896 1.00 13.11 C ATOM 354 CD PRO A 24 14.556 0.804 9.802 1.00 54.11 C ATOM 0 HA PRO A 24 14.340 0.199 13.055 1.00 53.41 H new ATOM 0 HB2 PRO A 24 12.674 -1.336 11.488 1.00 30.31 H new ATOM 0 HB3 PRO A 24 12.351 0.364 11.766 1.00 30.31 H new ATOM 0 HG2 PRO A 24 13.458 -0.978 9.342 1.00 13.11 H new ATOM 0 HG3 PRO A 24 12.469 0.464 9.456 1.00 13.11 H new ATOM 0 HD2 PRO A 24 15.226 0.451 9.018 1.00 54.11 H new ATOM 0 HD3 PRO A 24 14.307 1.839 9.567 1.00 54.11 H new ATOM 362 N ARG A 25 15.528 -2.063 11.051 1.00 12.33 N ATOM 363 CA ARG A 25 16.311 -3.247 10.897 1.00 25.45 C ATOM 364 C ARG A 25 16.868 -3.128 9.501 1.00 72.44 C ATOM 365 O ARG A 25 16.382 -2.270 8.741 1.00 71.30 O ATOM 366 CB ARG A 25 15.431 -4.499 11.025 1.00 1.13 C ATOM 367 CG ARG A 25 16.183 -5.822 10.954 1.00 70.45 C ATOM 368 CD ARG A 25 15.229 -6.982 11.064 1.00 51.14 C ATOM 369 NE ARG A 25 15.896 -8.277 10.955 1.00 41.14 N ATOM 370 CZ ARG A 25 15.261 -9.430 10.695 1.00 72.32 C ATOM 371 NH1 ARG A 25 13.932 -9.453 10.575 1.00 71.14 N ATOM 372 NH2 ARG A 25 15.947 -10.557 10.586 1.00 63.15 N ATOM 0 H ARG A 25 15.274 -1.648 10.155 1.00 12.33 H new ATOM 0 HA ARG A 25 17.088 -3.343 11.656 1.00 25.45 H new ATOM 0 HB2 ARG A 25 14.895 -4.453 11.973 1.00 1.13 H new ATOM 0 HB3 ARG A 25 14.682 -4.481 10.234 1.00 1.13 H new ATOM 0 HG2 ARG A 25 16.732 -5.884 10.015 1.00 70.45 H new ATOM 0 HG3 ARG A 25 16.918 -5.872 11.757 1.00 70.45 H new ATOM 0 HD2 ARG A 25 14.706 -6.927 12.019 1.00 51.14 H new ATOM 0 HD3 ARG A 25 14.474 -6.901 10.282 1.00 51.14 H new ATOM 0 HE ARG A 25 16.907 -8.307 11.085 1.00 41.14 H new ATOM 0 HH11 ARG A 25 13.395 -8.592 10.681 1.00 71.14 H new ATOM 0 HH12 ARG A 25 13.453 -10.332 10.377 1.00 71.14 H new ATOM 0 HH21 ARG A 25 16.961 -10.550 10.700 1.00 63.15 H new ATOM 0 HH22 ARG A 25 15.462 -11.432 10.388 1.00 63.15 H new ATOM 386 N GLN A 26 17.851 -3.909 9.139 1.00 32.52 N ATOM 387 CA GLN A 26 18.363 -3.834 7.795 1.00 12.11 C ATOM 388 C GLN A 26 17.424 -4.497 6.824 1.00 43.43 C ATOM 389 O GLN A 26 17.285 -5.718 6.790 1.00 72.12 O ATOM 390 CB GLN A 26 19.783 -4.370 7.684 1.00 44.12 C ATOM 391 CG GLN A 26 20.771 -3.566 8.509 1.00 62.35 C ATOM 392 CD GLN A 26 20.800 -2.110 8.092 1.00 72.31 C ATOM 393 OE1 GLN A 26 20.049 -1.288 8.609 1.00 72.43 O ATOM 394 NE2 GLN A 26 21.647 -1.789 7.164 1.00 72.05 N ATOM 0 H GLN A 26 18.307 -4.593 9.743 1.00 32.52 H new ATOM 0 HA GLN A 26 18.421 -2.779 7.527 1.00 12.11 H new ATOM 0 HB2 GLN A 26 19.803 -5.410 8.011 1.00 44.12 H new ATOM 0 HB3 GLN A 26 20.092 -4.358 6.639 1.00 44.12 H new ATOM 0 HG2 GLN A 26 20.506 -3.637 9.564 1.00 62.35 H new ATOM 0 HG3 GLN A 26 21.767 -3.995 8.402 1.00 62.35 H new ATOM 0 HE21 GLN A 26 22.254 -2.502 6.759 1.00 72.05 H new ATOM 0 HE22 GLN A 26 21.706 -0.824 6.839 1.00 72.05 H new ATOM 403 N SER A 27 16.737 -3.677 6.094 1.00 1.44 N ATOM 404 CA SER A 27 15.815 -4.106 5.101 1.00 63.12 C ATOM 405 C SER A 27 16.589 -4.386 3.794 1.00 72.15 C ATOM 406 O SER A 27 17.662 -3.809 3.595 1.00 3.40 O ATOM 407 CB SER A 27 14.773 -2.994 4.936 1.00 3.41 C ATOM 408 OG SER A 27 14.133 -2.742 6.180 1.00 30.12 O ATOM 0 H SER A 27 16.807 -2.663 6.178 1.00 1.44 H new ATOM 0 HA SER A 27 15.303 -5.027 5.379 1.00 63.12 H new ATOM 0 HB2 SER A 27 15.253 -2.085 4.573 1.00 3.41 H new ATOM 0 HB3 SER A 27 14.034 -3.284 4.189 1.00 3.41 H new ATOM 0 HG SER A 27 14.147 -1.780 6.366 1.00 30.12 H new ATOM 414 N PRO A 28 16.080 -5.288 2.917 1.00 62.11 N ATOM 415 CA PRO A 28 16.750 -5.658 1.647 1.00 24.23 C ATOM 416 C PRO A 28 17.178 -4.439 0.817 1.00 11.40 C ATOM 417 O PRO A 28 18.324 -4.356 0.345 1.00 65.43 O ATOM 418 CB PRO A 28 15.667 -6.443 0.901 1.00 45.33 C ATOM 419 CG PRO A 28 14.838 -7.042 1.978 1.00 15.33 C ATOM 420 CD PRO A 28 14.816 -6.036 3.095 1.00 54.15 C ATOM 0 HA PRO A 28 17.671 -6.213 1.826 1.00 24.23 H new ATOM 0 HB2 PRO A 28 15.074 -5.791 0.259 1.00 45.33 H new ATOM 0 HB3 PRO A 28 16.102 -7.210 0.261 1.00 45.33 H new ATOM 0 HG2 PRO A 28 13.829 -7.252 1.622 1.00 15.33 H new ATOM 0 HG3 PRO A 28 15.261 -7.989 2.314 1.00 15.33 H new ATOM 0 HD2 PRO A 28 13.949 -5.379 3.026 1.00 54.15 H new ATOM 0 HD3 PRO A 28 14.771 -6.521 4.070 1.00 54.15 H new ATOM 428 N GLU A 29 16.276 -3.505 0.663 1.00 22.32 N ATOM 429 CA GLU A 29 16.529 -2.299 -0.101 1.00 21.02 C ATOM 430 C GLU A 29 17.011 -1.179 0.824 1.00 33.34 C ATOM 431 O GLU A 29 17.512 -0.154 0.368 1.00 13.21 O ATOM 432 CB GLU A 29 15.283 -1.867 -0.924 1.00 32.30 C ATOM 433 CG GLU A 29 14.007 -1.550 -0.117 1.00 12.32 C ATOM 434 CD GLU A 29 13.477 -2.728 0.671 1.00 12.10 C ATOM 435 OE1 GLU A 29 12.675 -3.511 0.127 1.00 63.22 O ATOM 436 OE2 GLU A 29 13.888 -2.882 1.835 1.00 71.42 O ATOM 0 H GLU A 29 15.339 -3.554 1.064 1.00 22.32 H new ATOM 0 HA GLU A 29 17.319 -2.512 -0.821 1.00 21.02 H new ATOM 0 HB2 GLU A 29 15.547 -0.985 -1.507 1.00 32.30 H new ATOM 0 HB3 GLU A 29 15.050 -2.660 -1.634 1.00 32.30 H new ATOM 0 HG2 GLU A 29 14.216 -0.730 0.570 1.00 12.32 H new ATOM 0 HG3 GLU A 29 13.232 -1.203 -0.801 1.00 12.32 H new ATOM 443 N LYS A 30 16.868 -1.423 2.133 1.00 64.11 N ATOM 444 CA LYS A 30 17.309 -0.521 3.234 1.00 44.13 C ATOM 445 C LYS A 30 16.391 0.686 3.410 1.00 33.32 C ATOM 446 O LYS A 30 16.763 1.660 4.066 1.00 73.33 O ATOM 447 CB LYS A 30 18.764 -0.043 3.049 1.00 53.42 C ATOM 448 CG LYS A 30 19.793 -1.157 2.908 1.00 63.11 C ATOM 449 CD LYS A 30 21.211 -0.601 2.775 1.00 62.25 C ATOM 450 CE LYS A 30 21.350 0.386 1.608 1.00 43.34 C ATOM 451 NZ LYS A 30 21.008 -0.212 0.293 1.00 30.30 N ATOM 0 H LYS A 30 16.430 -2.277 2.478 1.00 64.11 H new ATOM 0 HA LYS A 30 17.253 -1.124 4.140 1.00 44.13 H new ATOM 0 HB2 LYS A 30 18.813 0.591 2.164 1.00 53.42 H new ATOM 0 HB3 LYS A 30 19.038 0.579 3.901 1.00 53.42 H new ATOM 0 HG2 LYS A 30 19.739 -1.814 3.776 1.00 63.11 H new ATOM 0 HG3 LYS A 30 19.556 -1.763 2.034 1.00 63.11 H new ATOM 0 HD2 LYS A 30 21.490 -0.102 3.703 1.00 62.25 H new ATOM 0 HD3 LYS A 30 21.909 -1.426 2.634 1.00 62.25 H new ATOM 0 HE2 LYS A 30 20.704 1.245 1.788 1.00 43.34 H new ATOM 0 HE3 LYS A 30 22.374 0.758 1.575 1.00 43.34 H new ATOM 0 HZ1 LYS A 30 21.154 0.493 -0.457 1.00 30.30 H new ATOM 0 HZ2 LYS A 30 21.618 -1.036 0.117 1.00 30.30 H new ATOM 0 HZ3 LYS A 30 20.012 -0.513 0.297 1.00 30.30 H new ATOM 465 N SER A 31 15.201 0.622 2.868 1.00 11.34 N ATOM 466 CA SER A 31 14.285 1.735 2.998 1.00 54.52 C ATOM 467 C SER A 31 13.655 1.811 4.387 1.00 64.40 C ATOM 468 O SER A 31 12.806 0.998 4.741 1.00 73.35 O ATOM 469 CB SER A 31 13.205 1.694 1.925 1.00 63.33 C ATOM 470 OG SER A 31 13.760 1.862 0.635 1.00 32.24 O ATOM 0 H SER A 31 14.844 -0.174 2.340 1.00 11.34 H new ATOM 0 HA SER A 31 14.877 2.639 2.858 1.00 54.52 H new ATOM 0 HB2 SER A 31 12.675 0.743 1.975 1.00 63.33 H new ATOM 0 HB3 SER A 31 12.471 2.478 2.113 1.00 63.33 H new ATOM 0 HG SER A 31 13.046 1.830 -0.035 1.00 32.24 H new ATOM 476 N HIS A 32 14.080 2.797 5.164 1.00 50.43 N ATOM 477 CA HIS A 32 13.512 3.034 6.491 1.00 23.33 C ATOM 478 C HIS A 32 12.384 4.031 6.382 1.00 24.43 C ATOM 479 O HIS A 32 11.738 4.393 7.367 1.00 54.24 O ATOM 480 CB HIS A 32 14.585 3.533 7.492 1.00 75.12 C ATOM 481 CG HIS A 32 15.240 4.852 7.149 1.00 32.20 C ATOM 482 ND1 HIS A 32 16.498 4.949 6.611 1.00 34.42 N ATOM 483 CD2 HIS A 32 14.802 6.128 7.291 1.00 70.11 C ATOM 484 CE1 HIS A 32 16.803 6.212 6.435 1.00 73.34 C ATOM 485 NE2 HIS A 32 15.791 6.948 6.840 1.00 41.23 N ATOM 0 H HIS A 32 14.818 3.450 4.901 1.00 50.43 H new ATOM 0 HA HIS A 32 13.128 2.089 6.875 1.00 23.33 H new ATOM 0 HB2 HIS A 32 14.124 3.622 8.476 1.00 75.12 H new ATOM 0 HB3 HIS A 32 15.362 2.773 7.572 1.00 75.12 H new ATOM 0 HD2 HIS A 32 13.846 6.436 7.688 1.00 70.11 H new ATOM 0 HE1 HIS A 32 17.730 6.585 6.026 1.00 73.34 H new ATOM 0 HE2 HIS A 32 15.753 7.967 6.820 1.00 41.23 H new ATOM 494 N MET A 33 12.165 4.488 5.185 1.00 64.51 N ATOM 495 CA MET A 33 11.071 5.348 4.920 1.00 21.03 C ATOM 496 C MET A 33 9.930 4.517 4.417 1.00 44.33 C ATOM 497 O MET A 33 10.114 3.622 3.560 1.00 42.14 O ATOM 498 CB MET A 33 11.443 6.483 3.975 1.00 64.15 C ATOM 499 CG MET A 33 11.878 6.070 2.579 1.00 20.23 C ATOM 500 SD MET A 33 12.409 7.459 1.619 1.00 3.41 S ATOM 501 CE MET A 33 10.898 8.369 1.614 1.00 11.13 C ATOM 0 H MET A 33 12.743 4.271 4.373 1.00 64.51 H new ATOM 0 HA MET A 33 10.766 5.846 5.840 1.00 21.03 H new ATOM 0 HB2 MET A 33 10.586 7.150 3.885 1.00 64.15 H new ATOM 0 HB3 MET A 33 12.249 7.059 4.430 1.00 64.15 H new ATOM 0 HG2 MET A 33 12.689 5.346 2.650 1.00 20.23 H new ATOM 0 HG3 MET A 33 11.051 5.573 2.073 1.00 20.23 H new ATOM 0 HE1 MET A 33 11.111 9.428 1.466 1.00 11.13 H new ATOM 0 HE2 MET A 33 10.260 8.011 0.806 1.00 11.13 H new ATOM 0 HE3 MET A 33 10.387 8.232 2.567 1.00 11.13 H new ATOM 511 N VAL A 34 8.778 4.781 4.928 1.00 32.31 N ATOM 512 CA VAL A 34 7.657 3.932 4.711 1.00 22.13 C ATOM 513 C VAL A 34 6.617 4.643 3.846 1.00 61.12 C ATOM 514 O VAL A 34 6.382 5.836 4.008 1.00 15.51 O ATOM 515 CB VAL A 34 7.063 3.526 6.095 1.00 13.13 C ATOM 516 CG1 VAL A 34 6.402 4.677 6.796 1.00 43.31 C ATOM 517 CG2 VAL A 34 6.147 2.378 6.015 1.00 50.11 C ATOM 0 H VAL A 34 8.585 5.595 5.511 1.00 32.31 H new ATOM 0 HA VAL A 34 7.964 3.032 4.179 1.00 22.13 H new ATOM 0 HB VAL A 34 7.921 3.216 6.692 1.00 13.13 H new ATOM 0 HG11 VAL A 34 6.006 4.340 7.754 1.00 43.31 H new ATOM 0 HG12 VAL A 34 7.132 5.469 6.963 1.00 43.31 H new ATOM 0 HG13 VAL A 34 5.588 5.059 6.180 1.00 43.31 H new ATOM 0 HG21 VAL A 34 5.768 2.145 7.010 1.00 50.11 H new ATOM 0 HG22 VAL A 34 5.313 2.623 5.357 1.00 50.11 H new ATOM 0 HG23 VAL A 34 6.680 1.514 5.619 1.00 50.11 H new ATOM 527 N PHE A 35 6.013 3.945 2.918 1.00 50.44 N ATOM 528 CA PHE A 35 5.018 4.592 2.110 1.00 63.11 C ATOM 529 C PHE A 35 3.641 4.301 2.572 1.00 41.33 C ATOM 530 O PHE A 35 3.357 3.223 3.084 1.00 2.14 O ATOM 531 CB PHE A 35 5.197 4.449 0.580 1.00 75.11 C ATOM 532 CG PHE A 35 5.397 3.072 0.014 1.00 21.31 C ATOM 533 CD1 PHE A 35 4.609 2.006 0.387 1.00 2.43 C ATOM 534 CD2 PHE A 35 6.397 2.864 -0.909 1.00 44.15 C ATOM 535 CE1 PHE A 35 4.817 0.754 -0.155 1.00 40.34 C ATOM 536 CE2 PHE A 35 6.610 1.628 -1.455 1.00 40.11 C ATOM 537 CZ PHE A 35 5.819 0.566 -1.080 1.00 72.24 C ATOM 0 H PHE A 35 6.186 2.962 2.709 1.00 50.44 H new ATOM 0 HA PHE A 35 5.192 5.655 2.274 1.00 63.11 H new ATOM 0 HB2 PHE A 35 4.319 4.882 0.100 1.00 75.11 H new ATOM 0 HB3 PHE A 35 6.053 5.057 0.287 1.00 75.11 H new ATOM 0 HD1 PHE A 35 3.821 2.151 1.111 1.00 2.43 H new ATOM 0 HD2 PHE A 35 7.024 3.691 -1.207 1.00 44.15 H new ATOM 0 HE1 PHE A 35 4.195 -0.076 0.146 1.00 40.34 H new ATOM 0 HE2 PHE A 35 7.398 1.486 -2.180 1.00 40.11 H new ATOM 0 HZ PHE A 35 5.984 -0.411 -1.510 1.00 72.24 H new ATOM 547 N ARG A 36 2.796 5.270 2.431 1.00 11.31 N ATOM 548 CA ARG A 36 1.448 5.146 2.868 1.00 42.12 C ATOM 549 C ARG A 36 0.637 4.634 1.693 1.00 52.04 C ATOM 550 O ARG A 36 0.307 5.405 0.801 1.00 24.51 O ATOM 551 CB ARG A 36 0.884 6.528 3.252 1.00 24.23 C ATOM 552 CG ARG A 36 1.794 7.436 4.080 1.00 11.34 C ATOM 553 CD ARG A 36 2.165 6.895 5.453 1.00 12.11 C ATOM 554 NE ARG A 36 3.055 7.852 6.122 1.00 71.14 N ATOM 555 CZ ARG A 36 3.566 7.764 7.351 1.00 74.34 C ATOM 556 NH1 ARG A 36 3.229 6.771 8.172 1.00 32.31 N ATOM 557 NH2 ARG A 36 4.394 8.712 7.770 1.00 51.21 N ATOM 0 H ARG A 36 3.023 6.170 2.009 1.00 11.31 H new ATOM 0 HA ARG A 36 1.399 4.478 3.728 1.00 42.12 H new ATOM 0 HB2 ARG A 36 0.621 7.055 2.335 1.00 24.23 H new ATOM 0 HB3 ARG A 36 -0.041 6.375 3.808 1.00 24.23 H new ATOM 0 HG2 ARG A 36 2.710 7.617 3.518 1.00 11.34 H new ATOM 0 HG3 ARG A 36 1.302 8.400 4.207 1.00 11.34 H new ATOM 0 HD2 ARG A 36 1.267 6.736 6.050 1.00 12.11 H new ATOM 0 HD3 ARG A 36 2.658 5.928 5.355 1.00 12.11 H new ATOM 0 HE ARG A 36 3.312 8.680 5.585 1.00 71.14 H new ATOM 0 HH11 ARG A 36 2.568 6.058 7.865 1.00 32.31 H new ATOM 0 HH12 ARG A 36 3.632 6.724 9.108 1.00 32.31 H new ATOM 0 HH21 ARG A 36 4.630 9.491 7.156 1.00 51.21 H new ATOM 0 HH22 ARG A 36 4.795 8.662 8.707 1.00 51.21 H new ATOM 571 N VAL A 37 0.370 3.362 1.643 1.00 72.33 N ATOM 572 CA VAL A 37 -0.463 2.860 0.596 1.00 63.35 C ATOM 573 C VAL A 37 -1.905 3.008 1.012 1.00 5.14 C ATOM 574 O VAL A 37 -2.426 2.275 1.856 1.00 74.50 O ATOM 575 CB VAL A 37 -0.089 1.418 0.085 1.00 63.14 C ATOM 576 CG1 VAL A 37 1.298 1.428 -0.494 1.00 54.33 C ATOM 577 CG2 VAL A 37 -0.175 0.347 1.155 1.00 43.33 C ATOM 0 H VAL A 37 0.712 2.665 2.304 1.00 72.33 H new ATOM 0 HA VAL A 37 -0.287 3.466 -0.293 1.00 63.35 H new ATOM 0 HB VAL A 37 -0.829 1.164 -0.674 1.00 63.14 H new ATOM 0 HG11 VAL A 37 1.552 0.428 -0.846 1.00 54.33 H new ATOM 0 HG12 VAL A 37 1.339 2.128 -1.328 1.00 54.33 H new ATOM 0 HG13 VAL A 37 2.010 1.735 0.272 1.00 54.33 H new ATOM 0 HG21 VAL A 37 0.097 -0.618 0.727 1.00 43.33 H new ATOM 0 HG22 VAL A 37 0.510 0.589 1.968 1.00 43.33 H new ATOM 0 HG23 VAL A 37 -1.193 0.299 1.541 1.00 43.33 H new ATOM 587 N GLU A 38 -2.518 4.015 0.478 1.00 14.13 N ATOM 588 CA GLU A 38 -3.841 4.372 0.835 1.00 63.21 C ATOM 589 C GLU A 38 -4.766 3.617 -0.094 1.00 62.55 C ATOM 590 O GLU A 38 -4.823 3.888 -1.304 1.00 51.41 O ATOM 591 CB GLU A 38 -3.971 5.892 0.674 1.00 32.42 C ATOM 592 CG GLU A 38 -4.947 6.575 1.602 1.00 74.00 C ATOM 593 CD GLU A 38 -6.355 6.143 1.455 1.00 72.42 C ATOM 594 OE1 GLU A 38 -7.081 6.750 0.642 1.00 15.34 O ATOM 595 OE2 GLU A 38 -6.765 5.221 2.176 1.00 51.51 O ATOM 0 H GLU A 38 -2.101 4.619 -0.230 1.00 14.13 H new ATOM 0 HA GLU A 38 -4.093 4.118 1.864 1.00 63.21 H new ATOM 0 HB2 GLU A 38 -2.987 6.338 0.821 1.00 32.42 H new ATOM 0 HB3 GLU A 38 -4.267 6.105 -0.353 1.00 32.42 H new ATOM 0 HG2 GLU A 38 -4.633 6.397 2.631 1.00 74.00 H new ATOM 0 HG3 GLU A 38 -4.893 7.651 1.434 1.00 74.00 H new ATOM 602 N VAL A 39 -5.444 2.657 0.457 1.00 65.21 N ATOM 603 CA VAL A 39 -6.260 1.756 -0.312 1.00 3.40 C ATOM 604 C VAL A 39 -7.738 2.009 -0.050 1.00 21.34 C ATOM 605 O VAL A 39 -8.237 1.731 1.050 1.00 44.24 O ATOM 606 CB VAL A 39 -5.924 0.273 0.038 1.00 34.55 C ATOM 607 CG1 VAL A 39 -6.790 -0.714 -0.732 1.00 31.11 C ATOM 608 CG2 VAL A 39 -4.444 -0.037 -0.169 1.00 75.14 C ATOM 0 H VAL A 39 -5.449 2.472 1.460 1.00 65.21 H new ATOM 0 HA VAL A 39 -6.047 1.935 -1.366 1.00 3.40 H new ATOM 0 HB VAL A 39 -6.151 0.152 1.097 1.00 34.55 H new ATOM 0 HG11 VAL A 39 -6.517 -1.732 -0.453 1.00 31.11 H new ATOM 0 HG12 VAL A 39 -7.839 -0.541 -0.493 1.00 31.11 H new ATOM 0 HG13 VAL A 39 -6.634 -0.577 -1.802 1.00 31.11 H new ATOM 0 HG21 VAL A 39 -4.251 -1.079 0.086 1.00 75.14 H new ATOM 0 HG22 VAL A 39 -4.178 0.137 -1.212 1.00 75.14 H new ATOM 0 HG23 VAL A 39 -3.844 0.610 0.471 1.00 75.14 H new ATOM 618 N LEU A 40 -8.413 2.547 -1.038 1.00 45.11 N ATOM 619 CA LEU A 40 -9.828 2.793 -0.964 1.00 74.51 C ATOM 620 C LEU A 40 -10.538 1.669 -1.684 1.00 43.13 C ATOM 621 O LEU A 40 -10.318 1.440 -2.874 1.00 14.34 O ATOM 622 CB LEU A 40 -10.163 4.184 -1.588 1.00 74.31 C ATOM 623 CG LEU A 40 -11.587 4.754 -1.401 1.00 61.33 C ATOM 624 CD1 LEU A 40 -11.587 6.220 -1.753 1.00 22.45 C ATOM 625 CD2 LEU A 40 -12.584 4.049 -2.289 1.00 53.21 C ATOM 0 H LEU A 40 -7.989 2.828 -1.922 1.00 45.11 H new ATOM 0 HA LEU A 40 -10.163 2.819 0.073 1.00 74.51 H new ATOM 0 HB2 LEU A 40 -9.460 4.909 -1.178 1.00 74.31 H new ATOM 0 HB3 LEU A 40 -9.969 4.122 -2.659 1.00 74.31 H new ATOM 0 HG LEU A 40 -11.875 4.603 -0.361 1.00 61.33 H new ATOM 0 HD11 LEU A 40 -12.590 6.626 -1.622 1.00 22.45 H new ATOM 0 HD12 LEU A 40 -10.893 6.751 -1.101 1.00 22.45 H new ATOM 0 HD13 LEU A 40 -11.278 6.345 -2.791 1.00 22.45 H new ATOM 0 HD21 LEU A 40 -13.575 4.474 -2.132 1.00 53.21 H new ATOM 0 HD22 LEU A 40 -12.295 4.176 -3.332 1.00 53.21 H new ATOM 0 HD23 LEU A 40 -12.602 2.987 -2.044 1.00 53.21 H new ATOM 637 N CYS A 41 -11.367 0.984 -0.973 1.00 13.42 N ATOM 638 CA CYS A 41 -12.091 -0.115 -1.505 1.00 25.13 C ATOM 639 C CYS A 41 -13.545 -0.047 -1.065 1.00 32.45 C ATOM 640 O CYS A 41 -13.838 0.038 0.135 1.00 34.25 O ATOM 641 CB CYS A 41 -11.430 -1.431 -1.075 1.00 1.42 C ATOM 642 SG CYS A 41 -11.207 -1.604 0.716 1.00 63.34 S ATOM 0 H CYS A 41 -11.563 1.176 0.009 1.00 13.42 H new ATOM 0 HA CYS A 41 -12.073 -0.070 -2.594 1.00 25.13 H new ATOM 0 HB2 CYS A 41 -12.035 -2.263 -1.436 1.00 1.42 H new ATOM 0 HB3 CYS A 41 -10.457 -1.511 -1.560 1.00 1.42 H new ATOM 0 HG CYS A 41 -12.160 -0.973 1.335 1.00 63.34 H new ATOM 648 N SER A 42 -14.440 0.004 -2.042 1.00 13.35 N ATOM 649 CA SER A 42 -15.880 0.004 -1.821 1.00 2.34 C ATOM 650 C SER A 42 -16.342 1.326 -1.169 1.00 74.12 C ATOM 651 O SER A 42 -17.445 1.421 -0.643 1.00 32.52 O ATOM 652 CB SER A 42 -16.300 -1.239 -0.984 1.00 35.33 C ATOM 653 OG SER A 42 -17.711 -1.327 -0.834 1.00 11.10 O ATOM 0 H SER A 42 -14.181 0.047 -3.028 1.00 13.35 H new ATOM 0 HA SER A 42 -16.381 -0.064 -2.787 1.00 2.34 H new ATOM 0 HB2 SER A 42 -15.929 -2.143 -1.467 1.00 35.33 H new ATOM 0 HB3 SER A 42 -15.833 -1.189 -0.000 1.00 35.33 H new ATOM 0 HG SER A 42 -18.084 -0.428 -0.719 1.00 11.10 H new ATOM 659 N GLY A 43 -15.511 2.345 -1.246 1.00 72.35 N ATOM 660 CA GLY A 43 -15.858 3.631 -0.668 1.00 75.42 C ATOM 661 C GLY A 43 -15.168 3.861 0.661 1.00 72.14 C ATOM 662 O GLY A 43 -15.076 4.996 1.142 1.00 10.41 O ATOM 0 H GLY A 43 -14.598 2.311 -1.699 1.00 72.35 H new ATOM 0 HA2 GLY A 43 -15.583 4.426 -1.361 1.00 75.42 H new ATOM 0 HA3 GLY A 43 -16.938 3.687 -0.530 1.00 75.42 H new ATOM 666 N ARG A 44 -14.685 2.798 1.257 1.00 20.21 N ATOM 667 CA ARG A 44 -13.996 2.878 2.532 1.00 43.32 C ATOM 668 C ARG A 44 -12.513 2.857 2.256 1.00 53.11 C ATOM 669 O ARG A 44 -12.064 2.073 1.423 1.00 75.53 O ATOM 670 CB ARG A 44 -14.345 1.675 3.451 1.00 22.33 C ATOM 671 CG ARG A 44 -15.812 1.525 3.905 1.00 53.25 C ATOM 672 CD ARG A 44 -16.788 1.189 2.769 1.00 3.44 C ATOM 673 NE ARG A 44 -18.150 0.984 3.287 1.00 50.23 N ATOM 674 CZ ARG A 44 -19.286 0.950 2.572 1.00 1.43 C ATOM 675 NH1 ARG A 44 -19.271 1.123 1.264 1.00 41.42 N ATOM 676 NH2 ARG A 44 -20.442 0.748 3.187 1.00 71.00 N ATOM 0 H ARG A 44 -14.756 1.854 0.877 1.00 20.21 H new ATOM 0 HA ARG A 44 -14.303 3.792 3.041 1.00 43.32 H new ATOM 0 HB2 ARG A 44 -14.059 0.761 2.931 1.00 22.33 H new ATOM 0 HB3 ARG A 44 -13.722 1.742 4.343 1.00 22.33 H new ATOM 0 HG2 ARG A 44 -15.869 0.743 4.662 1.00 53.25 H new ATOM 0 HG3 ARG A 44 -16.131 2.452 4.381 1.00 53.25 H new ATOM 0 HD2 ARG A 44 -16.791 1.997 2.037 1.00 3.44 H new ATOM 0 HD3 ARG A 44 -16.453 0.290 2.251 1.00 3.44 H new ATOM 0 HE ARG A 44 -18.241 0.854 4.295 1.00 50.23 H new ATOM 0 HH11 ARG A 44 -18.387 1.286 0.781 1.00 41.42 H new ATOM 0 HH12 ARG A 44 -20.143 1.094 0.736 1.00 41.42 H new ATOM 0 HH21 ARG A 44 -20.466 0.619 4.199 1.00 71.00 H new ATOM 0 HH22 ARG A 44 -21.308 0.721 2.649 1.00 71.00 H new ATOM 690 N ARG A 45 -11.741 3.697 2.908 1.00 21.14 N ATOM 691 CA ARG A 45 -10.316 3.653 2.660 1.00 43.14 C ATOM 692 C ARG A 45 -9.496 3.566 3.914 1.00 23.13 C ATOM 693 O ARG A 45 -9.979 3.865 5.011 1.00 3.02 O ATOM 694 CB ARG A 45 -9.792 4.741 1.703 1.00 24.21 C ATOM 695 CG ARG A 45 -9.810 6.186 2.155 1.00 22.43 C ATOM 696 CD ARG A 45 -11.176 6.774 2.321 1.00 2.24 C ATOM 697 NE ARG A 45 -11.071 8.199 2.640 1.00 74.04 N ATOM 698 CZ ARG A 45 -12.080 8.990 2.988 1.00 55.24 C ATOM 699 NH1 ARG A 45 -13.302 8.480 3.159 1.00 22.43 N ATOM 700 NH2 ARG A 45 -11.860 10.280 3.196 1.00 45.34 N ATOM 0 H ARG A 45 -12.056 4.391 3.586 1.00 21.14 H new ATOM 0 HA ARG A 45 -10.180 2.713 2.125 1.00 43.14 H new ATOM 0 HB2 ARG A 45 -8.762 4.488 1.449 1.00 24.21 H new ATOM 0 HB3 ARG A 45 -10.372 4.677 0.782 1.00 24.21 H new ATOM 0 HG2 ARG A 45 -9.279 6.262 3.104 1.00 22.43 H new ATOM 0 HG3 ARG A 45 -9.257 6.785 1.432 1.00 22.43 H new ATOM 0 HD2 ARG A 45 -11.753 6.639 1.406 1.00 2.24 H new ATOM 0 HD3 ARG A 45 -11.711 6.253 3.115 1.00 2.24 H new ATOM 0 HE ARG A 45 -10.144 8.621 2.591 1.00 74.04 H new ATOM 0 HH11 ARG A 45 -13.462 7.482 3.022 1.00 22.43 H new ATOM 0 HH12 ARG A 45 -14.076 9.088 3.426 1.00 22.43 H new ATOM 0 HH21 ARG A 45 -10.920 10.661 3.089 1.00 45.34 H new ATOM 0 HH22 ARG A 45 -12.631 10.892 3.463 1.00 45.34 H new ATOM 714 N HIS A 46 -8.260 3.160 3.737 1.00 44.34 N ATOM 715 CA HIS A 46 -7.319 2.940 4.810 1.00 34.54 C ATOM 716 C HIS A 46 -5.901 3.192 4.360 1.00 35.44 C ATOM 717 O HIS A 46 -5.426 2.590 3.387 1.00 13.44 O ATOM 718 CB HIS A 46 -7.470 1.528 5.435 1.00 14.43 C ATOM 719 CG HIS A 46 -7.603 0.386 4.453 1.00 13.54 C ATOM 720 ND1 HIS A 46 -8.795 -0.255 4.219 1.00 34.03 N ATOM 721 CD2 HIS A 46 -6.697 -0.231 3.664 1.00 62.44 C ATOM 722 CE1 HIS A 46 -8.627 -1.208 3.340 1.00 13.53 C ATOM 723 NE2 HIS A 46 -7.358 -1.220 2.979 1.00 44.15 N ATOM 0 H HIS A 46 -7.870 2.968 2.814 1.00 44.34 H new ATOM 0 HA HIS A 46 -7.553 3.663 5.591 1.00 34.54 H new ATOM 0 HB2 HIS A 46 -6.605 1.338 6.070 1.00 14.43 H new ATOM 0 HB3 HIS A 46 -8.347 1.530 6.083 1.00 14.43 H new ATOM 0 HD2 HIS A 46 -5.647 0.009 3.586 1.00 62.44 H new ATOM 0 HE1 HIS A 46 -9.395 -1.872 2.972 1.00 13.53 H new ATOM 0 HE2 HIS A 46 -6.938 -1.858 2.303 1.00 44.15 H new ATOM 732 N THR A 47 -5.240 4.072 5.061 1.00 12.03 N ATOM 733 CA THR A 47 -3.883 4.432 4.772 1.00 60.23 C ATOM 734 C THR A 47 -2.957 3.454 5.457 1.00 41.05 C ATOM 735 O THR A 47 -2.896 3.396 6.683 1.00 30.25 O ATOM 736 CB THR A 47 -3.613 5.845 5.272 1.00 0.10 C ATOM 737 OG1 THR A 47 -4.584 6.703 4.697 1.00 3.33 O ATOM 738 CG2 THR A 47 -2.232 6.314 4.862 1.00 4.34 C ATOM 0 H THR A 47 -5.637 4.565 5.861 1.00 12.03 H new ATOM 0 HA THR A 47 -3.712 4.400 3.696 1.00 60.23 H new ATOM 0 HB THR A 47 -3.666 5.859 6.361 1.00 0.10 H new ATOM 0 HG1 THR A 47 -5.465 6.276 4.741 1.00 3.33 H new ATOM 0 HG21 THR A 47 -2.066 7.326 5.232 1.00 4.34 H new ATOM 0 HG22 THR A 47 -1.481 5.646 5.283 1.00 4.34 H new ATOM 0 HG23 THR A 47 -2.154 6.308 3.775 1.00 4.34 H new ATOM 746 N VAL A 48 -2.278 2.669 4.681 1.00 31.01 N ATOM 747 CA VAL A 48 -1.431 1.656 5.223 1.00 75.35 C ATOM 748 C VAL A 48 0.035 2.012 5.039 1.00 53.33 C ATOM 749 O VAL A 48 0.551 1.953 3.932 1.00 54.43 O ATOM 750 CB VAL A 48 -1.692 0.305 4.533 1.00 3.51 C ATOM 751 CG1 VAL A 48 -0.920 -0.800 5.207 1.00 41.14 C ATOM 752 CG2 VAL A 48 -3.175 -0.006 4.480 1.00 41.43 C ATOM 0 H VAL A 48 -2.295 2.712 3.662 1.00 31.01 H new ATOM 0 HA VAL A 48 -1.657 1.582 6.287 1.00 75.35 H new ATOM 0 HB VAL A 48 -1.338 0.377 3.505 1.00 3.51 H new ATOM 0 HG11 VAL A 48 -1.121 -1.745 4.702 1.00 41.14 H new ATOM 0 HG12 VAL A 48 0.147 -0.581 5.157 1.00 41.14 H new ATOM 0 HG13 VAL A 48 -1.227 -0.874 6.250 1.00 41.14 H new ATOM 0 HG21 VAL A 48 -3.328 -0.966 3.987 1.00 41.43 H new ATOM 0 HG22 VAL A 48 -3.574 -0.051 5.493 1.00 41.43 H new ATOM 0 HG23 VAL A 48 -3.691 0.775 3.921 1.00 41.43 H new ATOM 762 N PRO A 49 0.726 2.428 6.096 1.00 63.30 N ATOM 763 CA PRO A 49 2.150 2.662 6.023 1.00 31.22 C ATOM 764 C PRO A 49 2.857 1.325 5.918 1.00 34.24 C ATOM 765 O PRO A 49 2.882 0.541 6.877 1.00 13.34 O ATOM 766 CB PRO A 49 2.489 3.351 7.358 1.00 73.44 C ATOM 767 CG PRO A 49 1.168 3.711 7.955 1.00 32.32 C ATOM 768 CD PRO A 49 0.192 2.704 7.428 1.00 72.22 C ATOM 0 HA PRO A 49 2.452 3.264 5.166 1.00 31.22 H new ATOM 0 HB2 PRO A 49 3.050 2.686 8.014 1.00 73.44 H new ATOM 0 HB3 PRO A 49 3.105 4.236 7.200 1.00 73.44 H new ATOM 0 HG2 PRO A 49 1.210 3.682 9.044 1.00 32.32 H new ATOM 0 HG3 PRO A 49 0.875 4.723 7.675 1.00 32.32 H new ATOM 0 HD2 PRO A 49 0.157 1.807 8.047 1.00 72.22 H new ATOM 0 HD3 PRO A 49 -0.822 3.102 7.386 1.00 72.22 H new ATOM 776 N ARG A 50 3.401 1.050 4.771 1.00 44.14 N ATOM 777 CA ARG A 50 4.014 -0.218 4.529 1.00 53.13 C ATOM 778 C ARG A 50 5.420 -0.007 3.997 1.00 71.21 C ATOM 779 O ARG A 50 5.632 0.759 3.052 1.00 61.02 O ATOM 780 CB ARG A 50 3.158 -0.994 3.528 1.00 22.34 C ATOM 781 CG ARG A 50 3.472 -2.482 3.384 1.00 21.35 C ATOM 782 CD ARG A 50 3.229 -3.248 4.696 1.00 21.31 C ATOM 783 NE ARG A 50 4.280 -3.026 5.712 1.00 1.33 N ATOM 784 CZ ARG A 50 4.089 -2.852 7.034 1.00 53.14 C ATOM 785 NH1 ARG A 50 2.869 -2.692 7.533 1.00 44.51 N ATOM 786 NH2 ARG A 50 5.134 -2.821 7.836 1.00 72.41 N ATOM 0 H ARG A 50 3.432 1.695 3.982 1.00 44.14 H new ATOM 0 HA ARG A 50 4.083 -0.792 5.453 1.00 53.13 H new ATOM 0 HB2 ARG A 50 2.113 -0.891 3.819 1.00 22.34 H new ATOM 0 HB3 ARG A 50 3.265 -0.525 2.550 1.00 22.34 H new ATOM 0 HG2 ARG A 50 2.854 -2.909 2.594 1.00 21.35 H new ATOM 0 HG3 ARG A 50 4.511 -2.606 3.078 1.00 21.35 H new ATOM 0 HD2 ARG A 50 2.266 -2.948 5.109 1.00 21.31 H new ATOM 0 HD3 ARG A 50 3.165 -4.314 4.478 1.00 21.31 H new ATOM 0 HE ARG A 50 5.244 -3.002 5.379 1.00 1.33 H new ATOM 0 HH11 ARG A 50 2.059 -2.700 6.913 1.00 44.51 H new ATOM 0 HH12 ARG A 50 2.742 -2.561 8.537 1.00 44.51 H new ATOM 0 HH21 ARG A 50 6.074 -2.928 7.454 1.00 72.41 H new ATOM 0 HH22 ARG A 50 5.003 -2.690 8.839 1.00 72.41 H new ATOM 800 N ARG A 51 6.383 -0.628 4.639 1.00 63.24 N ATOM 801 CA ARG A 51 7.758 -0.520 4.234 1.00 4.44 C ATOM 802 C ARG A 51 7.957 -1.254 2.914 1.00 72.51 C ATOM 803 O ARG A 51 7.216 -2.198 2.591 1.00 22.32 O ATOM 804 CB ARG A 51 8.666 -1.044 5.356 1.00 11.40 C ATOM 805 CG ARG A 51 10.153 -1.071 5.066 1.00 11.20 C ATOM 806 CD ARG A 51 10.913 -1.568 6.277 1.00 12.54 C ATOM 807 NE ARG A 51 10.407 -2.870 6.743 1.00 40.13 N ATOM 808 CZ ARG A 51 10.709 -3.442 7.909 1.00 40.31 C ATOM 809 NH1 ARG A 51 11.479 -2.818 8.788 1.00 2.41 N ATOM 810 NH2 ARG A 51 10.197 -4.617 8.194 1.00 63.34 N ATOM 0 H ARG A 51 6.231 -1.221 5.455 1.00 63.24 H new ATOM 0 HA ARG A 51 8.030 0.522 4.065 1.00 4.44 H new ATOM 0 HB2 ARG A 51 8.502 -0.430 6.242 1.00 11.40 H new ATOM 0 HB3 ARG A 51 8.349 -2.056 5.607 1.00 11.40 H new ATOM 0 HG2 ARG A 51 10.353 -1.718 4.212 1.00 11.20 H new ATOM 0 HG3 ARG A 51 10.497 -0.072 4.797 1.00 11.20 H new ATOM 0 HD2 ARG A 51 11.971 -1.656 6.031 1.00 12.54 H new ATOM 0 HD3 ARG A 51 10.832 -0.837 7.082 1.00 12.54 H new ATOM 0 HE ARG A 51 9.774 -3.376 6.123 1.00 40.13 H new ATOM 0 HH11 ARG A 51 11.847 -1.891 8.576 1.00 2.41 H new ATOM 0 HH12 ARG A 51 11.704 -3.265 9.677 1.00 2.41 H new ATOM 0 HH21 ARG A 51 9.578 -5.079 7.528 1.00 63.34 H new ATOM 0 HH22 ARG A 51 10.418 -5.068 9.082 1.00 63.34 H new ATOM 824 N TYR A 52 8.945 -0.820 2.156 1.00 34.01 N ATOM 825 CA TYR A 52 9.176 -1.325 0.813 1.00 21.21 C ATOM 826 C TYR A 52 9.566 -2.829 0.874 1.00 21.04 C ATOM 827 O TYR A 52 9.342 -3.589 -0.081 1.00 35.42 O ATOM 828 CB TYR A 52 10.279 -0.486 0.157 1.00 41.15 C ATOM 829 CG TYR A 52 10.179 -0.349 -1.343 1.00 43.24 C ATOM 830 CD1 TYR A 52 10.268 -1.437 -2.182 1.00 33.30 C ATOM 831 CD2 TYR A 52 9.978 0.903 -1.914 1.00 25.22 C ATOM 832 CE1 TYR A 52 10.165 -1.291 -3.552 1.00 24.52 C ATOM 833 CE2 TYR A 52 9.876 1.055 -3.275 1.00 62.22 C ATOM 834 CZ TYR A 52 9.971 -0.043 -4.087 1.00 73.41 C ATOM 835 OH TYR A 52 9.876 0.109 -5.441 1.00 55.01 O ATOM 0 H TYR A 52 9.612 -0.107 2.452 1.00 34.01 H new ATOM 0 HA TYR A 52 8.269 -1.244 0.214 1.00 21.21 H new ATOM 0 HB2 TYR A 52 10.266 0.511 0.598 1.00 41.15 H new ATOM 0 HB3 TYR A 52 11.244 -0.930 0.401 1.00 41.15 H new ATOM 0 HD1 TYR A 52 10.421 -2.420 -1.762 1.00 33.30 H new ATOM 0 HD2 TYR A 52 9.901 1.771 -1.276 1.00 25.22 H new ATOM 0 HE1 TYR A 52 10.237 -2.154 -4.197 1.00 24.52 H new ATOM 0 HE2 TYR A 52 9.722 2.035 -3.702 1.00 62.22 H new ATOM 0 HH TYR A 52 10.480 0.823 -5.733 1.00 55.01 H new ATOM 845 N SER A 53 10.107 -3.240 2.018 1.00 63.34 N ATOM 846 CA SER A 53 10.469 -4.621 2.260 1.00 51.31 C ATOM 847 C SER A 53 9.222 -5.511 2.230 1.00 74.41 C ATOM 848 O SER A 53 9.200 -6.548 1.533 1.00 60.54 O ATOM 849 CB SER A 53 11.202 -4.755 3.603 1.00 12.50 C ATOM 850 OG SER A 53 11.572 -6.099 3.856 1.00 53.41 O ATOM 0 H SER A 53 10.305 -2.617 2.801 1.00 63.34 H new ATOM 0 HA SER A 53 11.143 -4.949 1.469 1.00 51.31 H new ATOM 0 HB2 SER A 53 12.092 -4.125 3.598 1.00 12.50 H new ATOM 0 HB3 SER A 53 10.561 -4.395 4.407 1.00 12.50 H new ATOM 0 HG SER A 53 12.038 -6.154 4.716 1.00 53.41 H new ATOM 856 N GLU A 54 8.165 -5.104 2.958 1.00 33.33 N ATOM 857 CA GLU A 54 6.936 -5.873 2.955 1.00 72.44 C ATOM 858 C GLU A 54 6.283 -5.793 1.612 1.00 71.40 C ATOM 859 O GLU A 54 5.636 -6.718 1.208 1.00 1.30 O ATOM 860 CB GLU A 54 5.921 -5.474 4.031 1.00 4.02 C ATOM 861 CG GLU A 54 6.359 -5.644 5.474 1.00 54.53 C ATOM 862 CD GLU A 54 7.401 -4.663 5.882 1.00 71.43 C ATOM 863 OE1 GLU A 54 7.066 -3.471 5.990 1.00 4.13 O ATOM 864 OE2 GLU A 54 8.551 -5.069 6.118 1.00 63.52 O ATOM 0 H GLU A 54 8.149 -4.265 3.538 1.00 33.33 H new ATOM 0 HA GLU A 54 7.240 -6.893 3.189 1.00 72.44 H new ATOM 0 HB2 GLU A 54 5.654 -4.428 3.877 1.00 4.02 H new ATOM 0 HB3 GLU A 54 5.015 -6.060 3.879 1.00 4.02 H new ATOM 0 HG2 GLU A 54 5.492 -5.538 6.126 1.00 54.53 H new ATOM 0 HG3 GLU A 54 6.743 -6.654 5.615 1.00 54.53 H new ATOM 871 N PHE A 55 6.461 -4.669 0.916 1.00 54.22 N ATOM 872 CA PHE A 55 5.967 -4.524 -0.421 1.00 63.43 C ATOM 873 C PHE A 55 6.508 -5.642 -1.314 1.00 44.13 C ATOM 874 O PHE A 55 5.734 -6.298 -2.027 1.00 61.24 O ATOM 875 CB PHE A 55 6.375 -3.163 -0.983 1.00 73.13 C ATOM 876 CG PHE A 55 6.015 -2.994 -2.414 1.00 34.35 C ATOM 877 CD1 PHE A 55 4.752 -2.614 -2.764 1.00 71.40 C ATOM 878 CD2 PHE A 55 6.947 -3.243 -3.411 1.00 2.42 C ATOM 879 CE1 PHE A 55 4.405 -2.475 -4.077 1.00 45.43 C ATOM 880 CE2 PHE A 55 6.610 -3.113 -4.730 1.00 23.13 C ATOM 881 CZ PHE A 55 5.336 -2.727 -5.067 1.00 74.23 C ATOM 0 H PHE A 55 6.950 -3.849 1.275 1.00 54.22 H new ATOM 0 HA PHE A 55 4.879 -4.590 -0.400 1.00 63.43 H new ATOM 0 HB2 PHE A 55 5.897 -2.377 -0.399 1.00 73.13 H new ATOM 0 HB3 PHE A 55 7.451 -3.036 -0.868 1.00 73.13 H new ATOM 0 HD1 PHE A 55 4.019 -2.421 -1.994 1.00 71.40 H new ATOM 0 HD2 PHE A 55 7.949 -3.543 -3.143 1.00 2.42 H new ATOM 0 HE1 PHE A 55 3.404 -2.168 -4.342 1.00 45.43 H new ATOM 0 HE2 PHE A 55 7.340 -3.312 -5.500 1.00 23.13 H new ATOM 0 HZ PHE A 55 5.061 -2.620 -6.106 1.00 74.23 H new ATOM 891 N HIS A 56 7.815 -5.858 -1.276 1.00 63.13 N ATOM 892 CA HIS A 56 8.434 -6.931 -2.060 1.00 31.22 C ATOM 893 C HIS A 56 7.912 -8.300 -1.591 1.00 63.33 C ATOM 894 O HIS A 56 7.464 -9.100 -2.410 1.00 72.23 O ATOM 895 CB HIS A 56 9.995 -6.908 -1.978 1.00 51.12 C ATOM 896 CG HIS A 56 10.714 -5.748 -2.654 1.00 2.52 C ATOM 897 ND1 HIS A 56 11.607 -4.904 -2.004 1.00 12.13 N ATOM 898 CD2 HIS A 56 10.748 -5.372 -3.953 1.00 11.21 C ATOM 899 CE1 HIS A 56 12.145 -4.082 -2.879 1.00 23.54 C ATOM 900 NE2 HIS A 56 11.643 -4.342 -4.067 1.00 14.12 N ATOM 0 H HIS A 56 8.469 -5.311 -0.716 1.00 63.13 H new ATOM 0 HA HIS A 56 8.157 -6.764 -3.101 1.00 31.22 H new ATOM 0 HB2 HIS A 56 10.277 -6.912 -0.925 1.00 51.12 H new ATOM 0 HB3 HIS A 56 10.369 -7.835 -2.412 1.00 51.12 H new ATOM 0 HD1 HIS A 56 11.813 -4.920 -1.005 1.00 12.13 H new ATOM 0 HD2 HIS A 56 10.172 -5.807 -4.757 1.00 11.21 H new ATOM 0 HE1 HIS A 56 12.878 -3.320 -2.659 1.00 23.54 H new ATOM 0 HE2 HIS A 56 11.881 -3.856 -4.931 1.00 14.12 H new ATOM 909 N ALA A 57 7.941 -8.529 -0.277 1.00 73.14 N ATOM 910 CA ALA A 57 7.501 -9.806 0.328 1.00 13.55 C ATOM 911 C ALA A 57 6.043 -10.129 -0.025 1.00 12.53 C ATOM 912 O ALA A 57 5.711 -11.274 -0.384 1.00 21.14 O ATOM 913 CB ALA A 57 7.675 -9.750 1.835 1.00 13.24 C ATOM 0 H ALA A 57 8.267 -7.843 0.403 1.00 73.14 H new ATOM 0 HA ALA A 57 8.123 -10.602 -0.081 1.00 13.55 H new ATOM 0 HB1 ALA A 57 7.349 -10.693 2.274 1.00 13.24 H new ATOM 0 HB2 ALA A 57 8.725 -9.582 2.074 1.00 13.24 H new ATOM 0 HB3 ALA A 57 7.076 -8.935 2.240 1.00 13.24 H new ATOM 919 N LEU A 58 5.201 -9.106 0.063 1.00 74.40 N ATOM 920 CA LEU A 58 3.783 -9.170 -0.288 1.00 1.33 C ATOM 921 C LEU A 58 3.653 -9.655 -1.700 1.00 32.21 C ATOM 922 O LEU A 58 2.970 -10.620 -1.974 1.00 43.32 O ATOM 923 CB LEU A 58 3.227 -7.721 -0.190 1.00 14.44 C ATOM 924 CG LEU A 58 1.858 -7.375 -0.807 1.00 10.42 C ATOM 925 CD1 LEU A 58 0.725 -8.125 -0.161 1.00 61.52 C ATOM 926 CD2 LEU A 58 1.617 -5.879 -0.715 1.00 55.14 C ATOM 0 H LEU A 58 5.491 -8.184 0.389 1.00 74.40 H new ATOM 0 HA LEU A 58 3.239 -9.845 0.373 1.00 1.33 H new ATOM 0 HB2 LEU A 58 3.179 -7.463 0.868 1.00 14.44 H new ATOM 0 HB3 LEU A 58 3.964 -7.060 -0.646 1.00 14.44 H new ATOM 0 HG LEU A 58 1.885 -7.683 -1.852 1.00 10.42 H new ATOM 0 HD11 LEU A 58 -0.215 -7.843 -0.635 1.00 61.52 H new ATOM 0 HD12 LEU A 58 0.884 -9.197 -0.280 1.00 61.52 H new ATOM 0 HD13 LEU A 58 0.685 -7.880 0.900 1.00 61.52 H new ATOM 0 HD21 LEU A 58 0.648 -5.639 -1.152 1.00 55.14 H new ATOM 0 HD22 LEU A 58 1.629 -5.572 0.331 1.00 55.14 H new ATOM 0 HD23 LEU A 58 2.401 -5.350 -1.257 1.00 55.14 H new ATOM 938 N HIS A 59 4.401 -9.026 -2.562 1.00 65.02 N ATOM 939 CA HIS A 59 4.354 -9.284 -3.974 1.00 11.31 C ATOM 940 C HIS A 59 4.889 -10.626 -4.368 1.00 31.33 C ATOM 941 O HIS A 59 4.317 -11.273 -5.223 1.00 53.15 O ATOM 942 CB HIS A 59 5.031 -8.179 -4.720 1.00 12.54 C ATOM 943 CG HIS A 59 4.120 -7.063 -4.887 1.00 53.32 C ATOM 944 ND1 HIS A 59 3.807 -6.169 -3.894 1.00 71.14 N ATOM 945 CD2 HIS A 59 3.374 -6.764 -5.910 1.00 62.44 C ATOM 946 CE1 HIS A 59 2.871 -5.365 -4.325 1.00 41.33 C ATOM 947 NE2 HIS A 59 2.590 -5.706 -5.555 1.00 51.14 N ATOM 0 H HIS A 59 5.073 -8.306 -2.298 1.00 65.02 H new ATOM 0 HA HIS A 59 3.300 -9.312 -4.251 1.00 11.31 H new ATOM 0 HB2 HIS A 59 5.920 -7.855 -4.179 1.00 12.54 H new ATOM 0 HB3 HIS A 59 5.363 -8.537 -5.694 1.00 12.54 H new ATOM 0 HD1 HIS A 59 4.236 -6.137 -2.969 1.00 71.14 H new ATOM 0 HD2 HIS A 59 3.375 -7.263 -6.868 1.00 62.44 H new ATOM 0 HE1 HIS A 59 2.412 -4.563 -3.765 1.00 41.33 H new ATOM 956 N LYS A 60 5.964 -11.047 -3.746 1.00 54.43 N ATOM 957 CA LYS A 60 6.561 -12.338 -4.043 1.00 32.33 C ATOM 958 C LYS A 60 5.592 -13.475 -3.816 1.00 23.11 C ATOM 959 O LYS A 60 5.476 -14.373 -4.655 1.00 44.50 O ATOM 960 CB LYS A 60 7.851 -12.548 -3.251 1.00 54.45 C ATOM 961 CG LYS A 60 9.055 -11.737 -3.733 1.00 55.55 C ATOM 962 CD LYS A 60 9.798 -12.393 -4.926 1.00 61.44 C ATOM 963 CE LYS A 60 8.945 -12.598 -6.190 1.00 54.42 C ATOM 964 NZ LYS A 60 9.732 -13.209 -7.289 1.00 24.05 N ATOM 0 H LYS A 60 6.450 -10.514 -3.025 1.00 54.43 H new ATOM 0 HA LYS A 60 6.814 -12.336 -5.103 1.00 32.33 H new ATOM 0 HB2 LYS A 60 7.661 -12.299 -2.207 1.00 54.45 H new ATOM 0 HB3 LYS A 60 8.110 -13.606 -3.285 1.00 54.45 H new ATOM 0 HG2 LYS A 60 8.720 -10.742 -4.025 1.00 55.55 H new ATOM 0 HG3 LYS A 60 9.753 -11.609 -2.905 1.00 55.55 H new ATOM 0 HD2 LYS A 60 10.658 -11.775 -5.183 1.00 61.44 H new ATOM 0 HD3 LYS A 60 10.185 -13.361 -4.606 1.00 61.44 H new ATOM 0 HE2 LYS A 60 8.093 -13.235 -5.955 1.00 54.42 H new ATOM 0 HE3 LYS A 60 8.545 -11.639 -6.519 1.00 54.42 H new ATOM 0 HZ1 LYS A 60 9.125 -13.332 -8.124 1.00 24.05 H new ATOM 0 HZ2 LYS A 60 10.531 -12.589 -7.530 1.00 24.05 H new ATOM 0 HZ3 LYS A 60 10.093 -14.135 -6.984 1.00 24.05 H new ATOM 978 N ARG A 61 4.875 -13.419 -2.728 1.00 10.32 N ATOM 979 CA ARG A 61 3.940 -14.465 -2.407 1.00 50.22 C ATOM 980 C ARG A 61 2.707 -14.383 -3.309 1.00 42.11 C ATOM 981 O ARG A 61 2.264 -15.392 -3.868 1.00 53.24 O ATOM 982 CB ARG A 61 3.539 -14.371 -0.945 1.00 54.24 C ATOM 983 CG ARG A 61 2.652 -15.505 -0.460 1.00 53.33 C ATOM 984 CD ARG A 61 2.315 -15.319 1.001 1.00 74.14 C ATOM 985 NE ARG A 61 3.519 -15.253 1.836 1.00 33.03 N ATOM 986 CZ ARG A 61 3.824 -14.235 2.650 1.00 33.22 C ATOM 987 NH1 ARG A 61 3.049 -13.156 2.689 1.00 3.13 N ATOM 988 NH2 ARG A 61 4.917 -14.291 3.410 1.00 74.51 N ATOM 0 H ARG A 61 4.919 -12.661 -2.047 1.00 10.32 H new ATOM 0 HA ARG A 61 4.421 -15.428 -2.578 1.00 50.22 H new ATOM 0 HB2 ARG A 61 4.442 -14.347 -0.335 1.00 54.24 H new ATOM 0 HB3 ARG A 61 3.020 -13.426 -0.784 1.00 54.24 H new ATOM 0 HG2 ARG A 61 1.736 -15.537 -1.050 1.00 53.33 H new ATOM 0 HG3 ARG A 61 3.158 -16.459 -0.605 1.00 53.33 H new ATOM 0 HD2 ARG A 61 1.736 -14.404 1.126 1.00 74.14 H new ATOM 0 HD3 ARG A 61 1.686 -16.143 1.336 1.00 74.14 H new ATOM 0 HE ARG A 61 4.169 -16.038 1.793 1.00 33.03 H new ATOM 0 HH11 ARG A 61 2.220 -13.102 2.098 1.00 3.13 H new ATOM 0 HH12 ARG A 61 3.284 -12.382 3.310 1.00 3.13 H new ATOM 0 HH21 ARG A 61 5.523 -15.111 3.372 1.00 74.51 H new ATOM 0 HH22 ARG A 61 5.148 -13.514 4.030 1.00 74.51 H new ATOM 1002 N ILE A 62 2.189 -13.179 -3.488 1.00 63.14 N ATOM 1003 CA ILE A 62 0.978 -12.983 -4.265 1.00 51.00 C ATOM 1004 C ILE A 62 1.125 -13.211 -5.758 1.00 34.00 C ATOM 1005 O ILE A 62 0.116 -13.312 -6.442 1.00 30.53 O ATOM 1006 CB ILE A 62 0.307 -11.641 -4.037 1.00 11.33 C ATOM 1007 CG1 ILE A 62 1.264 -10.505 -4.336 1.00 24.05 C ATOM 1008 CG2 ILE A 62 -0.290 -11.553 -2.641 1.00 73.42 C ATOM 1009 CD1 ILE A 62 0.688 -9.141 -4.130 1.00 2.32 C ATOM 0 H ILE A 62 2.589 -12.322 -3.105 1.00 63.14 H new ATOM 0 HA ILE A 62 0.335 -13.771 -3.872 1.00 51.00 H new ATOM 0 HB ILE A 62 -0.526 -11.547 -4.734 1.00 11.33 H new ATOM 0 HG12 ILE A 62 2.145 -10.613 -3.704 1.00 24.05 H new ATOM 0 HG13 ILE A 62 1.600 -10.592 -5.369 1.00 24.05 H new ATOM 0 HG21 ILE A 62 -0.763 -10.580 -2.508 1.00 73.42 H new ATOM 0 HG22 ILE A 62 -1.034 -12.339 -2.513 1.00 73.42 H new ATOM 0 HG23 ILE A 62 0.499 -11.677 -1.899 1.00 73.42 H new ATOM 0 HD11 ILE A 62 1.440 -8.389 -4.367 1.00 2.32 H new ATOM 0 HD12 ILE A 62 -0.175 -9.008 -4.782 1.00 2.32 H new ATOM 0 HD13 ILE A 62 0.378 -9.030 -3.091 1.00 2.32 H new ATOM 1021 N LYS A 63 2.359 -13.290 -6.283 1.00 43.53 N ATOM 1022 CA LYS A 63 2.531 -13.613 -7.720 1.00 73.42 C ATOM 1023 C LYS A 63 1.887 -14.956 -7.966 1.00 34.13 C ATOM 1024 O LYS A 63 1.198 -15.185 -8.959 1.00 22.51 O ATOM 1025 CB LYS A 63 4.004 -13.754 -8.114 1.00 25.41 C ATOM 1026 CG LYS A 63 4.914 -12.569 -7.847 1.00 73.33 C ATOM 1027 CD LYS A 63 4.484 -11.263 -8.546 1.00 74.34 C ATOM 1028 CE LYS A 63 4.287 -11.412 -10.056 1.00 64.22 C ATOM 1029 NZ LYS A 63 5.499 -11.881 -10.775 1.00 41.12 N ATOM 0 H LYS A 63 3.224 -13.142 -5.763 1.00 43.53 H new ATOM 0 HA LYS A 63 2.087 -12.804 -8.301 1.00 73.42 H new ATOM 0 HB2 LYS A 63 4.412 -14.617 -7.589 1.00 25.41 H new ATOM 0 HB3 LYS A 63 4.048 -13.979 -9.180 1.00 25.41 H new ATOM 0 HG2 LYS A 63 4.956 -12.394 -6.772 1.00 73.33 H new ATOM 0 HG3 LYS A 63 5.924 -12.823 -8.168 1.00 73.33 H new ATOM 0 HD2 LYS A 63 3.554 -10.911 -8.100 1.00 74.34 H new ATOM 0 HD3 LYS A 63 5.236 -10.497 -8.360 1.00 74.34 H new ATOM 0 HE2 LYS A 63 3.473 -12.113 -10.239 1.00 64.22 H new ATOM 0 HE3 LYS A 63 3.979 -10.451 -10.469 1.00 64.22 H new ATOM 0 HZ1 LYS A 63 5.226 -12.263 -11.703 1.00 41.12 H new ATOM 0 HZ2 LYS A 63 6.154 -11.084 -10.908 1.00 41.12 H new ATOM 0 HZ3 LYS A 63 5.967 -12.625 -10.219 1.00 41.12 H new ATOM 1043 N LYS A 64 2.129 -15.832 -7.033 1.00 32.33 N ATOM 1044 CA LYS A 64 1.585 -17.184 -7.055 1.00 54.22 C ATOM 1045 C LYS A 64 0.117 -17.209 -6.579 1.00 71.14 C ATOM 1046 O LYS A 64 -0.558 -18.231 -6.689 1.00 34.51 O ATOM 1047 CB LYS A 64 2.418 -18.098 -6.142 1.00 15.54 C ATOM 1048 CG LYS A 64 3.909 -18.128 -6.456 1.00 14.43 C ATOM 1049 CD LYS A 64 4.184 -18.618 -7.867 1.00 63.53 C ATOM 1050 CE LYS A 64 5.670 -18.619 -8.158 1.00 21.15 C ATOM 1051 NZ LYS A 64 5.958 -19.079 -9.521 1.00 60.23 N ATOM 0 H LYS A 64 2.715 -15.637 -6.221 1.00 32.33 H new ATOM 0 HA LYS A 64 1.625 -17.540 -8.085 1.00 54.22 H new ATOM 0 HB2 LYS A 64 2.285 -17.775 -5.109 1.00 15.54 H new ATOM 0 HB3 LYS A 64 2.026 -19.113 -6.212 1.00 15.54 H new ATOM 0 HG2 LYS A 64 4.326 -17.129 -6.332 1.00 14.43 H new ATOM 0 HG3 LYS A 64 4.417 -18.776 -5.742 1.00 14.43 H new ATOM 0 HD2 LYS A 64 3.784 -19.624 -7.991 1.00 63.53 H new ATOM 0 HD3 LYS A 64 3.669 -17.980 -8.585 1.00 63.53 H new ATOM 0 HE2 LYS A 64 6.068 -17.613 -8.022 1.00 21.15 H new ATOM 0 HE3 LYS A 64 6.180 -19.263 -7.442 1.00 21.15 H new ATOM 0 HZ1 LYS A 64 6.985 -19.066 -9.682 1.00 60.23 H new ATOM 0 HZ2 LYS A 64 5.601 -20.048 -9.643 1.00 60.23 H new ATOM 0 HZ3 LYS A 64 5.492 -18.450 -10.205 1.00 60.23 H new ATOM 1065 N LEU A 65 -0.369 -16.095 -6.060 1.00 21.23 N ATOM 1066 CA LEU A 65 -1.712 -16.043 -5.502 1.00 71.35 C ATOM 1067 C LEU A 65 -2.716 -15.427 -6.495 1.00 73.30 C ATOM 1068 O LEU A 65 -3.755 -16.024 -6.769 1.00 72.43 O ATOM 1069 CB LEU A 65 -1.692 -15.318 -4.120 1.00 73.45 C ATOM 1070 CG LEU A 65 -2.977 -15.344 -3.243 1.00 62.32 C ATOM 1071 CD1 LEU A 65 -2.635 -14.900 -1.834 1.00 11.34 C ATOM 1072 CD2 LEU A 65 -4.041 -14.409 -3.786 1.00 33.11 C ATOM 0 H LEU A 65 0.144 -15.215 -6.013 1.00 21.23 H new ATOM 0 HA LEU A 65 -2.061 -17.061 -5.327 1.00 71.35 H new ATOM 0 HB2 LEU A 65 -0.882 -15.750 -3.532 1.00 73.45 H new ATOM 0 HB3 LEU A 65 -1.435 -14.274 -4.298 1.00 73.45 H new ATOM 0 HG LEU A 65 -3.362 -16.364 -3.251 1.00 62.32 H new ATOM 0 HD11 LEU A 65 -3.534 -14.918 -1.219 1.00 11.34 H new ATOM 0 HD12 LEU A 65 -1.892 -15.575 -1.410 1.00 11.34 H new ATOM 0 HD13 LEU A 65 -2.233 -13.887 -1.859 1.00 11.34 H new ATOM 0 HD21 LEU A 65 -4.924 -14.453 -3.148 1.00 33.11 H new ATOM 0 HD22 LEU A 65 -3.656 -13.390 -3.802 1.00 33.11 H new ATOM 0 HD23 LEU A 65 -4.309 -14.712 -4.798 1.00 33.11 H new ATOM 1084 N TYR A 66 -2.410 -14.260 -7.042 1.00 22.10 N ATOM 1085 CA TYR A 66 -3.337 -13.606 -7.966 1.00 1.42 C ATOM 1086 C TYR A 66 -2.546 -13.001 -9.146 1.00 34.44 C ATOM 1087 O TYR A 66 -1.319 -13.111 -9.176 1.00 10.23 O ATOM 1088 CB TYR A 66 -4.209 -12.533 -7.213 1.00 71.44 C ATOM 1089 CG TYR A 66 -3.519 -11.277 -6.802 1.00 12.13 C ATOM 1090 CD1 TYR A 66 -2.884 -11.210 -5.603 1.00 41.33 C ATOM 1091 CD2 TYR A 66 -3.531 -10.148 -7.606 1.00 53.42 C ATOM 1092 CE1 TYR A 66 -2.265 -10.079 -5.203 1.00 71.01 C ATOM 1093 CE2 TYR A 66 -2.903 -8.995 -7.207 1.00 42.24 C ATOM 1094 CZ TYR A 66 -2.266 -8.975 -5.992 1.00 60.11 C ATOM 1095 OH TYR A 66 -1.595 -7.859 -5.573 1.00 23.42 O ATOM 0 H TYR A 66 -1.544 -13.750 -6.869 1.00 22.10 H new ATOM 0 HA TYR A 66 -4.032 -14.341 -8.372 1.00 1.42 H new ATOM 0 HB2 TYR A 66 -5.048 -12.266 -7.855 1.00 71.44 H new ATOM 0 HB3 TYR A 66 -4.626 -12.999 -6.321 1.00 71.44 H new ATOM 0 HD1 TYR A 66 -2.874 -12.077 -4.959 1.00 41.33 H new ATOM 0 HD2 TYR A 66 -4.041 -10.176 -8.558 1.00 53.42 H new ATOM 0 HE1 TYR A 66 -1.764 -10.053 -4.246 1.00 71.01 H new ATOM 0 HE2 TYR A 66 -2.910 -8.119 -7.838 1.00 42.24 H new ATOM 0 HH TYR A 66 -0.848 -7.679 -6.181 1.00 23.42 H new ATOM 1105 N LYS A 67 -3.242 -12.410 -10.131 1.00 34.34 N ATOM 1106 CA LYS A 67 -2.561 -11.769 -11.272 1.00 11.00 C ATOM 1107 C LYS A 67 -1.852 -10.503 -10.841 1.00 72.30 C ATOM 1108 O LYS A 67 -2.487 -9.516 -10.451 1.00 53.22 O ATOM 1109 CB LYS A 67 -3.506 -11.479 -12.448 1.00 74.51 C ATOM 1110 CG LYS A 67 -4.150 -12.716 -13.059 1.00 54.34 C ATOM 1111 CD LYS A 67 -4.917 -12.387 -14.344 1.00 1.44 C ATOM 1112 CE LYS A 67 -6.037 -11.383 -14.119 1.00 43.32 C ATOM 1113 NZ LYS A 67 -6.748 -11.082 -15.377 1.00 12.22 N ATOM 0 H LYS A 67 -4.260 -12.362 -10.163 1.00 34.34 H new ATOM 0 HA LYS A 67 -1.822 -12.487 -11.628 1.00 11.00 H new ATOM 0 HB2 LYS A 67 -4.293 -10.805 -12.108 1.00 74.51 H new ATOM 0 HB3 LYS A 67 -2.950 -10.953 -13.224 1.00 74.51 H new ATOM 0 HG2 LYS A 67 -3.380 -13.456 -13.276 1.00 54.34 H new ATOM 0 HG3 LYS A 67 -4.830 -13.166 -12.336 1.00 54.34 H new ATOM 0 HD2 LYS A 67 -4.223 -11.991 -15.085 1.00 1.44 H new ATOM 0 HD3 LYS A 67 -5.335 -13.305 -14.758 1.00 1.44 H new ATOM 0 HE2 LYS A 67 -6.741 -11.778 -13.387 1.00 43.32 H new ATOM 0 HE3 LYS A 67 -5.626 -10.464 -13.702 1.00 43.32 H new ATOM 0 HZ1 LYS A 67 -7.506 -10.395 -15.191 1.00 12.22 H new ATOM 0 HZ2 LYS A 67 -6.080 -10.683 -16.067 1.00 12.22 H new ATOM 0 HZ3 LYS A 67 -7.160 -11.956 -15.761 1.00 12.22 H new ATOM 1127 N VAL A 68 -0.546 -10.537 -10.928 1.00 61.31 N ATOM 1128 CA VAL A 68 0.309 -9.461 -10.469 1.00 33.21 C ATOM 1129 C VAL A 68 1.403 -9.241 -11.514 1.00 64.42 C ATOM 1130 O VAL A 68 1.975 -10.218 -12.007 1.00 61.43 O ATOM 1131 CB VAL A 68 1.017 -9.864 -9.121 1.00 24.34 C ATOM 1132 CG1 VAL A 68 1.809 -8.735 -8.527 1.00 22.45 C ATOM 1133 CG2 VAL A 68 0.057 -10.420 -8.107 1.00 43.01 C ATOM 0 H VAL A 68 -0.034 -11.325 -11.326 1.00 61.31 H new ATOM 0 HA VAL A 68 -0.294 -8.565 -10.318 1.00 33.21 H new ATOM 0 HB VAL A 68 1.715 -10.658 -9.388 1.00 24.34 H new ATOM 0 HG11 VAL A 68 2.276 -9.067 -7.600 1.00 22.45 H new ATOM 0 HG12 VAL A 68 2.581 -8.422 -9.230 1.00 22.45 H new ATOM 0 HG13 VAL A 68 1.146 -7.895 -8.319 1.00 22.45 H new ATOM 0 HG21 VAL A 68 0.599 -10.681 -7.198 1.00 43.01 H new ATOM 0 HG22 VAL A 68 -0.701 -9.672 -7.876 1.00 43.01 H new ATOM 0 HG23 VAL A 68 -0.424 -11.311 -8.511 1.00 43.01 H new ATOM 1143 N PRO A 69 1.708 -7.985 -11.898 1.00 72.43 N ATOM 1144 CA PRO A 69 2.800 -7.712 -12.799 1.00 61.11 C ATOM 1145 C PRO A 69 4.110 -7.743 -12.026 1.00 72.33 C ATOM 1146 O PRO A 69 4.137 -8.086 -10.832 1.00 71.54 O ATOM 1147 CB PRO A 69 2.525 -6.295 -13.332 1.00 61.42 C ATOM 1148 CG PRO A 69 1.357 -5.763 -12.560 1.00 50.22 C ATOM 1149 CD PRO A 69 1.025 -6.763 -11.482 1.00 31.12 C ATOM 0 HA PRO A 69 2.877 -8.441 -13.606 1.00 61.11 H new ATOM 0 HB2 PRO A 69 3.398 -5.656 -13.201 1.00 61.42 H new ATOM 0 HB3 PRO A 69 2.305 -6.319 -14.399 1.00 61.42 H new ATOM 0 HG2 PRO A 69 1.598 -4.794 -12.122 1.00 50.22 H new ATOM 0 HG3 PRO A 69 0.501 -5.612 -13.218 1.00 50.22 H new ATOM 0 HD2 PRO A 69 1.373 -6.426 -10.506 1.00 31.12 H new ATOM 0 HD3 PRO A 69 -0.051 -6.917 -11.401 1.00 31.12 H new ATOM 1157 N ASP A 70 5.180 -7.398 -12.648 1.00 10.05 N ATOM 1158 CA ASP A 70 6.414 -7.412 -11.940 1.00 62.32 C ATOM 1159 C ASP A 70 6.729 -6.085 -11.342 1.00 2.13 C ATOM 1160 O ASP A 70 6.589 -5.030 -11.977 1.00 44.43 O ATOM 1161 CB ASP A 70 7.565 -8.023 -12.714 1.00 54.20 C ATOM 1162 CG ASP A 70 7.355 -9.504 -12.919 1.00 12.22 C ATOM 1163 OD1 ASP A 70 7.493 -10.280 -11.938 1.00 33.21 O ATOM 1164 OD2 ASP A 70 7.049 -9.928 -14.058 1.00 62.33 O ATOM 0 H ASP A 70 5.231 -7.108 -13.625 1.00 10.05 H new ATOM 0 HA ASP A 70 6.271 -8.097 -11.105 1.00 62.32 H new ATOM 0 HB2 ASP A 70 7.661 -7.529 -13.681 1.00 54.20 H new ATOM 0 HB3 ASP A 70 8.498 -7.856 -12.177 1.00 54.20 H new ATOM 1169 N PHE A 71 7.104 -6.145 -10.113 1.00 42.23 N ATOM 1170 CA PHE A 71 7.373 -5.001 -9.291 1.00 33.34 C ATOM 1171 C PHE A 71 8.816 -4.549 -9.438 1.00 54.10 C ATOM 1172 O PHE A 71 9.652 -5.301 -9.976 1.00 31.24 O ATOM 1173 CB PHE A 71 7.064 -5.375 -7.821 1.00 2.25 C ATOM 1174 CG PHE A 71 7.754 -6.635 -7.339 1.00 34.40 C ATOM 1175 CD1 PHE A 71 9.024 -6.588 -6.798 1.00 0.11 C ATOM 1176 CD2 PHE A 71 7.120 -7.866 -7.428 1.00 40.21 C ATOM 1177 CE1 PHE A 71 9.653 -7.734 -6.356 1.00 54.14 C ATOM 1178 CE2 PHE A 71 7.743 -9.015 -6.989 1.00 33.03 C ATOM 1179 CZ PHE A 71 9.012 -8.947 -6.451 1.00 60.42 C ATOM 0 H PHE A 71 7.240 -7.030 -9.624 1.00 42.23 H new ATOM 0 HA PHE A 71 6.742 -4.169 -9.605 1.00 33.34 H new ATOM 0 HB2 PHE A 71 7.358 -4.545 -7.178 1.00 2.25 H new ATOM 0 HB3 PHE A 71 5.987 -5.499 -7.709 1.00 2.25 H new ATOM 0 HD1 PHE A 71 9.533 -5.639 -6.720 1.00 0.11 H new ATOM 0 HD2 PHE A 71 6.126 -7.925 -7.846 1.00 40.21 H new ATOM 0 HE1 PHE A 71 10.647 -7.678 -5.936 1.00 54.14 H new ATOM 0 HE2 PHE A 71 7.239 -9.967 -7.066 1.00 33.03 H new ATOM 0 HZ PHE A 71 9.501 -9.845 -6.105 1.00 60.42 H new ATOM 1189 N PRO A 72 9.128 -3.300 -9.005 1.00 61.12 N ATOM 1190 CA PRO A 72 10.499 -2.796 -8.975 1.00 22.12 C ATOM 1191 C PRO A 72 11.407 -3.740 -8.195 1.00 42.31 C ATOM 1192 O PRO A 72 11.007 -4.313 -7.165 1.00 10.44 O ATOM 1193 CB PRO A 72 10.371 -1.456 -8.250 1.00 72.55 C ATOM 1194 CG PRO A 72 8.983 -1.017 -8.529 1.00 2.21 C ATOM 1195 CD PRO A 72 8.161 -2.270 -8.556 1.00 51.41 C ATOM 0 HA PRO A 72 10.938 -2.706 -9.969 1.00 22.12 H new ATOM 0 HB2 PRO A 72 10.546 -1.565 -7.180 1.00 72.55 H new ATOM 0 HB3 PRO A 72 11.098 -0.733 -8.620 1.00 72.55 H new ATOM 0 HG2 PRO A 72 8.627 -0.331 -7.760 1.00 2.21 H new ATOM 0 HG3 PRO A 72 8.923 -0.488 -9.480 1.00 2.21 H new ATOM 0 HD2 PRO A 72 7.751 -2.504 -7.574 1.00 51.41 H new ATOM 0 HD3 PRO A 72 7.318 -2.184 -9.241 1.00 51.41 H new ATOM 1203 N SER A 73 12.605 -3.876 -8.672 1.00 44.33 N ATOM 1204 CA SER A 73 13.572 -4.810 -8.161 1.00 35.01 C ATOM 1205 C SER A 73 14.066 -4.417 -6.744 1.00 74.42 C ATOM 1206 O SER A 73 13.583 -3.454 -6.129 1.00 34.21 O ATOM 1207 CB SER A 73 14.737 -4.871 -9.181 1.00 53.53 C ATOM 1208 OG SER A 73 15.782 -5.768 -8.806 1.00 4.10 O ATOM 0 H SER A 73 12.953 -3.323 -9.455 1.00 44.33 H new ATOM 0 HA SER A 73 13.118 -5.794 -8.047 1.00 35.01 H new ATOM 0 HB2 SER A 73 14.343 -5.172 -10.152 1.00 53.53 H new ATOM 0 HB3 SER A 73 15.154 -3.871 -9.302 1.00 53.53 H new ATOM 0 HG SER A 73 16.482 -5.760 -9.492 1.00 4.10 H new ATOM 1214 N LYS A 74 14.991 -5.197 -6.229 1.00 64.43 N ATOM 1215 CA LYS A 74 15.640 -4.931 -4.961 1.00 54.34 C ATOM 1216 C LYS A 74 16.574 -3.738 -5.121 1.00 63.22 C ATOM 1217 O LYS A 74 16.954 -3.088 -4.151 1.00 40.44 O ATOM 1218 CB LYS A 74 16.425 -6.171 -4.521 1.00 11.20 C ATOM 1219 CG LYS A 74 17.470 -6.625 -5.536 1.00 54.33 C ATOM 1220 CD LYS A 74 18.153 -7.899 -5.103 1.00 60.32 C ATOM 1221 CE LYS A 74 19.153 -8.361 -6.148 1.00 13.34 C ATOM 1222 NZ LYS A 74 19.795 -9.632 -5.772 1.00 41.41 N ATOM 0 H LYS A 74 15.320 -6.048 -6.686 1.00 64.43 H new ATOM 0 HA LYS A 74 14.895 -4.700 -4.199 1.00 54.34 H new ATOM 0 HB2 LYS A 74 16.919 -5.960 -3.573 1.00 11.20 H new ATOM 0 HB3 LYS A 74 15.726 -6.988 -4.341 1.00 11.20 H new ATOM 0 HG2 LYS A 74 16.994 -6.779 -6.504 1.00 54.33 H new ATOM 0 HG3 LYS A 74 18.214 -5.840 -5.668 1.00 54.33 H new ATOM 0 HD2 LYS A 74 18.662 -7.738 -4.153 1.00 60.32 H new ATOM 0 HD3 LYS A 74 17.408 -8.677 -4.938 1.00 60.32 H new ATOM 0 HE2 LYS A 74 18.647 -8.480 -7.106 1.00 13.34 H new ATOM 0 HE3 LYS A 74 19.917 -7.595 -6.283 1.00 13.34 H new ATOM 0 HZ1 LYS A 74 20.470 -9.912 -6.512 1.00 41.41 H new ATOM 0 HZ2 LYS A 74 20.299 -9.513 -4.870 1.00 41.41 H new ATOM 0 HZ3 LYS A 74 19.070 -10.370 -5.668 1.00 41.41 H new ATOM 1236 N ARG A 75 16.942 -3.472 -6.358 1.00 30.54 N ATOM 1237 CA ARG A 75 17.764 -2.350 -6.679 1.00 30.45 C ATOM 1238 C ARG A 75 16.923 -1.135 -6.877 1.00 54.00 C ATOM 1239 O ARG A 75 16.162 -1.028 -7.849 1.00 14.33 O ATOM 1240 CB ARG A 75 18.627 -2.602 -7.907 1.00 53.24 C ATOM 1241 CG ARG A 75 19.695 -3.652 -7.714 1.00 0.54 C ATOM 1242 CD ARG A 75 20.614 -3.266 -6.576 1.00 42.15 C ATOM 1243 NE ARG A 75 21.739 -4.172 -6.439 1.00 13.32 N ATOM 1244 CZ ARG A 75 22.407 -4.377 -5.308 1.00 60.54 C ATOM 1245 NH1 ARG A 75 21.967 -3.847 -4.161 1.00 42.14 N ATOM 1246 NH2 ARG A 75 23.505 -5.114 -5.317 1.00 10.23 N ATOM 0 H ARG A 75 16.672 -4.037 -7.163 1.00 30.54 H new ATOM 0 HA ARG A 75 18.438 -2.189 -5.838 1.00 30.45 H new ATOM 0 HB2 ARG A 75 17.983 -2.904 -8.733 1.00 53.24 H new ATOM 0 HB3 ARG A 75 19.103 -1.666 -8.200 1.00 53.24 H new ATOM 0 HG2 ARG A 75 19.232 -4.617 -7.505 1.00 0.54 H new ATOM 0 HG3 ARG A 75 20.271 -3.767 -8.632 1.00 0.54 H new ATOM 0 HD2 ARG A 75 20.984 -2.254 -6.740 1.00 42.15 H new ATOM 0 HD3 ARG A 75 20.048 -3.252 -5.645 1.00 42.15 H new ATOM 0 HE ARG A 75 22.038 -4.687 -7.267 1.00 13.32 H new ATOM 0 HH11 ARG A 75 21.117 -3.284 -4.153 1.00 42.14 H new ATOM 0 HH12 ARG A 75 22.482 -4.006 -3.295 1.00 42.14 H new ATOM 0 HH21 ARG A 75 23.837 -5.523 -6.190 1.00 10.23 H new ATOM 0 HH22 ARG A 75 24.020 -5.273 -4.451 1.00 10.23 H new ATOM 1260 N LEU A 76 17.037 -0.245 -5.954 1.00 10.42 N ATOM 1261 CA LEU A 76 16.335 0.989 -5.985 1.00 2.40 C ATOM 1262 C LEU A 76 17.347 2.104 -5.951 1.00 63.55 C ATOM 1263 O LEU A 76 18.501 1.878 -5.534 1.00 34.45 O ATOM 1264 CB LEU A 76 15.392 1.093 -4.775 1.00 24.15 C ATOM 1265 CG LEU A 76 14.302 0.028 -4.662 1.00 73.50 C ATOM 1266 CD1 LEU A 76 13.469 0.276 -3.430 1.00 45.52 C ATOM 1267 CD2 LEU A 76 13.419 0.024 -5.903 1.00 51.23 C ATOM 0 H LEU A 76 17.636 -0.358 -5.136 1.00 10.42 H new ATOM 0 HA LEU A 76 15.732 1.056 -6.891 1.00 2.40 H new ATOM 0 HB2 LEU A 76 15.996 1.059 -3.869 1.00 24.15 H new ATOM 0 HB3 LEU A 76 14.911 2.071 -4.801 1.00 24.15 H new ATOM 0 HG LEU A 76 14.779 -0.949 -4.581 1.00 73.50 H new ATOM 0 HD11 LEU A 76 12.694 -0.487 -3.355 1.00 45.52 H new ATOM 0 HD12 LEU A 76 14.105 0.234 -2.546 1.00 45.52 H new ATOM 0 HD13 LEU A 76 13.005 1.260 -3.497 1.00 45.52 H new ATOM 0 HD21 LEU A 76 12.650 -0.742 -5.800 1.00 51.23 H new ATOM 0 HD22 LEU A 76 12.946 1.000 -6.016 1.00 51.23 H new ATOM 0 HD23 LEU A 76 14.028 -0.188 -6.782 1.00 51.23 H new ATOM 1279 N PRO A 77 16.977 3.302 -6.423 1.00 61.44 N ATOM 1280 CA PRO A 77 17.843 4.474 -6.373 1.00 12.25 C ATOM 1281 C PRO A 77 18.354 4.770 -4.954 1.00 1.30 C ATOM 1282 O PRO A 77 17.791 4.302 -3.951 1.00 52.22 O ATOM 1283 CB PRO A 77 16.955 5.622 -6.876 1.00 74.43 C ATOM 1284 CG PRO A 77 15.566 5.083 -6.882 1.00 44.14 C ATOM 1285 CD PRO A 77 15.696 3.610 -7.079 1.00 42.21 C ATOM 0 HA PRO A 77 18.741 4.328 -6.974 1.00 12.25 H new ATOM 0 HB2 PRO A 77 17.034 6.493 -6.225 1.00 74.43 H new ATOM 0 HB3 PRO A 77 17.256 5.941 -7.874 1.00 74.43 H new ATOM 0 HG2 PRO A 77 15.057 5.308 -5.945 1.00 44.14 H new ATOM 0 HG3 PRO A 77 14.977 5.533 -7.681 1.00 44.14 H new ATOM 0 HD2 PRO A 77 14.868 3.067 -6.623 1.00 42.21 H new ATOM 0 HD3 PRO A 77 15.709 3.343 -8.136 1.00 42.21 H new ATOM 1293 N ASN A 78 19.415 5.554 -4.885 1.00 52.54 N ATOM 1294 CA ASN A 78 20.068 5.936 -3.620 1.00 0.02 C ATOM 1295 C ASN A 78 19.123 6.873 -2.812 1.00 22.44 C ATOM 1296 O ASN A 78 19.405 7.224 -1.664 1.00 0.00 O ATOM 1297 CB ASN A 78 21.409 6.653 -3.975 1.00 11.23 C ATOM 1298 CG ASN A 78 22.452 6.838 -2.842 1.00 43.12 C ATOM 1299 OD1 ASN A 78 23.657 6.871 -3.121 1.00 22.21 O ATOM 1300 ND2 ASN A 78 22.036 6.963 -1.610 1.00 55.32 N ATOM 0 H ASN A 78 19.862 5.955 -5.710 1.00 52.54 H new ATOM 0 HA ASN A 78 20.276 5.062 -3.003 1.00 0.02 H new ATOM 0 HB2 ASN A 78 21.885 6.094 -4.780 1.00 11.23 H new ATOM 0 HB3 ASN A 78 21.167 7.639 -4.372 1.00 11.23 H new ATOM 0 HD21 ASN A 78 22.710 7.091 -0.855 1.00 55.32 H new ATOM 0 HD22 ASN A 78 21.038 6.933 -1.403 1.00 55.32 H new ATOM 1307 N TRP A 79 18.004 7.268 -3.449 1.00 62.12 N ATOM 1308 CA TRP A 79 16.951 8.146 -2.886 1.00 34.25 C ATOM 1309 C TRP A 79 17.413 9.581 -2.742 1.00 22.23 C ATOM 1310 O TRP A 79 16.815 10.507 -3.294 1.00 52.32 O ATOM 1311 CB TRP A 79 16.394 7.647 -1.541 1.00 12.30 C ATOM 1312 CG TRP A 79 15.661 6.334 -1.551 1.00 2.20 C ATOM 1313 CD1 TRP A 79 15.804 5.338 -0.645 1.00 31.30 C ATOM 1314 CD2 TRP A 79 14.682 5.861 -2.503 1.00 4.25 C ATOM 1315 NE1 TRP A 79 14.964 4.301 -0.941 1.00 15.51 N ATOM 1316 CE2 TRP A 79 14.278 4.592 -2.075 1.00 23.53 C ATOM 1317 CE3 TRP A 79 14.103 6.380 -3.662 1.00 31.43 C ATOM 1318 CZ2 TRP A 79 13.334 3.847 -2.751 1.00 42.24 C ATOM 1319 CZ3 TRP A 79 13.174 5.628 -4.332 1.00 40.12 C ATOM 1320 CH2 TRP A 79 12.794 4.375 -3.876 1.00 52.23 C ATOM 0 H TRP A 79 17.798 6.976 -4.404 1.00 62.12 H new ATOM 0 HA TRP A 79 16.142 8.108 -3.615 1.00 34.25 H new ATOM 0 HB2 TRP A 79 17.224 7.566 -0.839 1.00 12.30 H new ATOM 0 HB3 TRP A 79 15.719 8.409 -1.150 1.00 12.30 H new ATOM 0 HD1 TRP A 79 16.485 5.360 0.193 1.00 31.30 H new ATOM 0 HE1 TRP A 79 14.868 3.444 -0.396 1.00 15.51 H new ATOM 0 HE3 TRP A 79 14.383 7.358 -4.025 1.00 31.43 H new ATOM 0 HZ2 TRP A 79 13.034 2.873 -2.394 1.00 42.24 H new ATOM 0 HZ3 TRP A 79 12.728 6.020 -5.234 1.00 40.12 H new ATOM 0 HH2 TRP A 79 12.056 3.811 -4.426 1.00 52.23 H new ATOM 1331 N ARG A 80 18.477 9.742 -2.003 1.00 1.22 N ATOM 1332 CA ARG A 80 19.072 11.023 -1.707 1.00 43.41 C ATOM 1333 C ARG A 80 19.582 11.698 -2.981 1.00 64.35 C ATOM 1334 O ARG A 80 19.666 12.926 -3.062 1.00 32.34 O ATOM 1335 CB ARG A 80 20.190 10.833 -0.683 1.00 70.42 C ATOM 1336 CG ARG A 80 19.698 10.231 0.634 1.00 65.11 C ATOM 1337 CD ARG A 80 20.836 9.974 1.606 1.00 21.11 C ATOM 1338 NE ARG A 80 21.550 11.201 1.969 1.00 15.34 N ATOM 1339 CZ ARG A 80 22.647 11.249 2.729 1.00 20.44 C ATOM 1340 NH1 ARG A 80 23.188 10.132 3.187 1.00 51.35 N ATOM 1341 NH2 ARG A 80 23.203 12.418 3.018 1.00 73.52 N ATOM 0 H ARG A 80 18.973 8.960 -1.574 1.00 1.22 H new ATOM 0 HA ARG A 80 18.317 11.683 -1.281 1.00 43.41 H new ATOM 0 HB2 ARG A 80 20.958 10.186 -1.107 1.00 70.42 H new ATOM 0 HB3 ARG A 80 20.660 11.796 -0.483 1.00 70.42 H new ATOM 0 HG2 ARG A 80 18.976 10.906 1.093 1.00 65.11 H new ATOM 0 HG3 ARG A 80 19.176 9.295 0.432 1.00 65.11 H new ATOM 0 HD2 ARG A 80 20.441 9.507 2.508 1.00 21.11 H new ATOM 0 HD3 ARG A 80 21.537 9.267 1.162 1.00 21.11 H new ATOM 0 HE ARG A 80 21.182 12.084 1.615 1.00 15.34 H new ATOM 0 HH11 ARG A 80 22.767 9.231 2.960 1.00 51.35 H new ATOM 0 HH12 ARG A 80 24.026 10.172 3.767 1.00 51.35 H new ATOM 0 HH21 ARG A 80 22.793 13.280 2.660 1.00 73.52 H new ATOM 0 HH22 ARG A 80 24.041 12.455 3.599 1.00 73.52 H new ATOM 1355 N THR A 81 19.931 10.897 -3.958 1.00 41.44 N ATOM 1356 CA THR A 81 20.391 11.401 -5.220 1.00 73.20 C ATOM 1357 C THR A 81 19.193 11.708 -6.139 1.00 61.15 C ATOM 1358 O THR A 81 19.103 12.795 -6.708 1.00 62.33 O ATOM 1359 CB THR A 81 21.292 10.339 -5.867 1.00 54.11 C ATOM 1360 OG1 THR A 81 20.590 9.074 -5.858 1.00 23.14 O ATOM 1361 CG2 THR A 81 22.590 10.194 -5.086 1.00 73.51 C ATOM 0 H THR A 81 19.903 9.879 -3.897 1.00 41.44 H new ATOM 0 HA THR A 81 20.951 12.324 -5.069 1.00 73.20 H new ATOM 0 HB THR A 81 21.529 10.641 -6.887 1.00 54.11 H new ATOM 0 HG1 THR A 81 21.078 8.425 -6.407 1.00 23.14 H new ATOM 0 HG21 THR A 81 23.216 9.437 -5.558 1.00 73.51 H new ATOM 0 HG22 THR A 81 23.118 11.148 -5.077 1.00 73.51 H new ATOM 0 HG23 THR A 81 22.367 9.893 -4.062 1.00 73.51 H new ATOM 1369 N ARG A 82 18.270 10.759 -6.213 1.00 63.52 N ATOM 1370 CA ARG A 82 17.026 10.821 -6.993 1.00 75.53 C ATOM 1371 C ARG A 82 16.177 9.679 -6.518 1.00 34.41 C ATOM 1372 O ARG A 82 16.718 8.722 -5.946 1.00 1.40 O ATOM 1373 CB ARG A 82 17.258 10.550 -8.504 1.00 64.32 C ATOM 1374 CG ARG A 82 18.113 11.528 -9.279 1.00 74.25 C ATOM 1375 CD ARG A 82 18.226 11.077 -10.725 1.00 73.13 C ATOM 1376 NE ARG A 82 19.014 11.997 -11.544 1.00 61.45 N ATOM 1377 CZ ARG A 82 19.407 11.751 -12.802 1.00 33.40 C ATOM 1378 NH1 ARG A 82 19.107 10.594 -13.386 1.00 31.22 N ATOM 1379 NH2 ARG A 82 20.102 12.659 -13.469 1.00 23.04 N ATOM 0 H ARG A 82 18.366 9.878 -5.708 1.00 63.52 H new ATOM 0 HA ARG A 82 16.590 11.812 -6.865 1.00 75.53 H new ATOM 0 HB2 ARG A 82 17.710 9.563 -8.600 1.00 64.32 H new ATOM 0 HB3 ARG A 82 16.283 10.503 -8.988 1.00 64.32 H new ATOM 0 HG2 ARG A 82 17.675 12.525 -9.232 1.00 74.25 H new ATOM 0 HG3 ARG A 82 19.104 11.594 -8.830 1.00 74.25 H new ATOM 0 HD2 ARG A 82 18.681 10.087 -10.758 1.00 73.13 H new ATOM 0 HD3 ARG A 82 17.227 10.983 -11.151 1.00 73.13 H new ATOM 0 HE ARG A 82 19.284 12.889 -11.129 1.00 61.45 H new ATOM 0 HH11 ARG A 82 18.575 9.888 -12.876 1.00 31.22 H new ATOM 0 HH12 ARG A 82 19.409 10.413 -14.343 1.00 31.22 H new ATOM 0 HH21 ARG A 82 20.339 13.547 -13.026 1.00 23.04 H new ATOM 0 HH22 ARG A 82 20.401 12.471 -14.426 1.00 23.04 H new ATOM 1393 N GLY A 83 14.879 9.745 -6.718 1.00 15.21 N ATOM 1394 CA GLY A 83 14.105 8.578 -6.461 1.00 4.31 C ATOM 1395 C GLY A 83 12.773 8.785 -5.791 1.00 61.55 C ATOM 1396 O GLY A 83 11.840 8.108 -6.134 1.00 35.14 O ATOM 0 H GLY A 83 14.365 10.563 -7.044 1.00 15.21 H new ATOM 0 HA2 GLY A 83 13.934 8.068 -7.409 1.00 4.31 H new ATOM 0 HA3 GLY A 83 14.698 7.906 -5.840 1.00 4.31 H new ATOM 1400 N LEU A 84 12.659 9.704 -4.859 1.00 53.35 N ATOM 1401 CA LEU A 84 11.413 9.807 -4.079 1.00 31.32 C ATOM 1402 C LEU A 84 10.148 10.176 -4.829 1.00 15.21 C ATOM 1403 O LEU A 84 9.081 9.593 -4.556 1.00 32.21 O ATOM 1404 CB LEU A 84 11.530 10.552 -2.749 1.00 31.24 C ATOM 1405 CG LEU A 84 12.274 9.831 -1.634 1.00 50.54 C ATOM 1406 CD1 LEU A 84 11.836 8.388 -1.550 1.00 62.45 C ATOM 1407 CD2 LEU A 84 13.766 9.940 -1.750 1.00 40.24 C ATOM 0 H LEU A 84 13.382 10.380 -4.615 1.00 53.35 H new ATOM 0 HA LEU A 84 11.273 8.754 -3.834 1.00 31.32 H new ATOM 0 HB2 LEU A 84 12.029 11.504 -2.933 1.00 31.24 H new ATOM 0 HB3 LEU A 84 10.525 10.782 -2.396 1.00 31.24 H new ATOM 0 HG LEU A 84 12.008 10.335 -0.705 1.00 50.54 H new ATOM 0 HD11 LEU A 84 12.379 7.889 -0.747 1.00 62.45 H new ATOM 0 HD12 LEU A 84 10.766 8.344 -1.347 1.00 62.45 H new ATOM 0 HD13 LEU A 84 12.047 7.888 -2.496 1.00 62.45 H new ATOM 0 HD21 LEU A 84 14.235 9.405 -0.925 1.00 40.24 H new ATOM 0 HD22 LEU A 84 14.090 9.505 -2.696 1.00 40.24 H new ATOM 0 HD23 LEU A 84 14.058 10.990 -1.714 1.00 40.24 H new ATOM 1419 N GLU A 85 10.230 11.097 -5.756 1.00 12.31 N ATOM 1420 CA GLU A 85 9.039 11.496 -6.496 1.00 41.41 C ATOM 1421 C GLU A 85 8.643 10.313 -7.390 1.00 75.13 C ATOM 1422 O GLU A 85 7.461 9.955 -7.502 1.00 33.34 O ATOM 1423 CB GLU A 85 9.350 12.765 -7.319 1.00 53.10 C ATOM 1424 CG GLU A 85 8.140 13.601 -7.800 1.00 43.43 C ATOM 1425 CD GLU A 85 7.179 12.896 -8.732 1.00 2.24 C ATOM 1426 OE1 GLU A 85 7.576 12.553 -9.865 1.00 32.13 O ATOM 1427 OE2 GLU A 85 5.994 12.735 -8.359 1.00 22.55 O ATOM 0 H GLU A 85 11.088 11.582 -6.020 1.00 12.31 H new ATOM 0 HA GLU A 85 8.209 11.739 -5.833 1.00 41.41 H new ATOM 0 HB2 GLU A 85 9.991 13.410 -6.718 1.00 53.10 H new ATOM 0 HB3 GLU A 85 9.927 12.468 -8.195 1.00 53.10 H new ATOM 0 HG2 GLU A 85 7.585 13.939 -6.925 1.00 43.43 H new ATOM 0 HG3 GLU A 85 8.516 14.492 -8.303 1.00 43.43 H new ATOM 1434 N GLN A 86 9.664 9.672 -7.953 1.00 14.45 N ATOM 1435 CA GLN A 86 9.493 8.496 -8.798 1.00 2.41 C ATOM 1436 C GLN A 86 8.944 7.333 -7.977 1.00 52.33 C ATOM 1437 O GLN A 86 8.084 6.592 -8.441 1.00 1.44 O ATOM 1438 CB GLN A 86 10.821 8.060 -9.465 1.00 1.23 C ATOM 1439 CG GLN A 86 11.458 9.047 -10.459 1.00 51.44 C ATOM 1440 CD GLN A 86 11.931 10.348 -9.836 1.00 54.32 C ATOM 1441 OE1 GLN A 86 11.190 11.323 -9.764 1.00 14.30 O ATOM 1442 NE2 GLN A 86 13.157 10.371 -9.384 1.00 54.24 N ATOM 0 H GLN A 86 10.637 9.956 -7.835 1.00 14.45 H new ATOM 0 HA GLN A 86 8.789 8.768 -9.584 1.00 2.41 H new ATOM 0 HB2 GLN A 86 11.546 7.857 -8.677 1.00 1.23 H new ATOM 0 HB3 GLN A 86 10.646 7.119 -9.987 1.00 1.23 H new ATOM 0 HG2 GLN A 86 12.305 8.561 -10.942 1.00 51.44 H new ATOM 0 HG3 GLN A 86 10.733 9.275 -11.240 1.00 51.44 H new ATOM 0 HE21 GLN A 86 13.745 9.541 -9.461 1.00 54.24 H new ATOM 0 HE22 GLN A 86 13.526 11.219 -8.954 1.00 54.24 H new ATOM 1451 N ARG A 87 9.452 7.193 -6.749 1.00 61.54 N ATOM 1452 CA ARG A 87 9.037 6.142 -5.836 1.00 62.35 C ATOM 1453 C ARG A 87 7.556 6.197 -5.593 1.00 72.53 C ATOM 1454 O ARG A 87 6.860 5.225 -5.792 1.00 13.24 O ATOM 1455 CB ARG A 87 9.746 6.273 -4.484 1.00 72.01 C ATOM 1456 CG ARG A 87 9.289 5.234 -3.460 1.00 20.21 C ATOM 1457 CD ARG A 87 10.045 5.359 -2.157 1.00 25.22 C ATOM 1458 NE ARG A 87 9.565 4.406 -1.151 1.00 40.14 N ATOM 1459 CZ ARG A 87 10.298 3.915 -0.141 1.00 2.14 C ATOM 1460 NH1 ARG A 87 11.599 4.190 -0.058 1.00 14.44 N ATOM 1461 NH2 ARG A 87 9.725 3.130 0.771 1.00 2.13 N ATOM 0 H ARG A 87 10.166 7.812 -6.365 1.00 61.54 H new ATOM 0 HA ARG A 87 9.304 5.194 -6.302 1.00 62.35 H new ATOM 0 HB2 ARG A 87 10.821 6.177 -4.634 1.00 72.01 H new ATOM 0 HB3 ARG A 87 9.568 7.271 -4.083 1.00 72.01 H new ATOM 0 HG2 ARG A 87 8.222 5.353 -3.274 1.00 20.21 H new ATOM 0 HG3 ARG A 87 9.432 4.234 -3.869 1.00 20.21 H new ATOM 0 HD2 ARG A 87 11.107 5.193 -2.337 1.00 25.22 H new ATOM 0 HD3 ARG A 87 9.942 6.374 -1.774 1.00 25.22 H new ATOM 0 HE ARG A 87 8.597 4.092 -1.225 1.00 40.14 H new ATOM 0 HH11 ARG A 87 12.042 4.777 -0.765 1.00 14.44 H new ATOM 0 HH12 ARG A 87 12.152 3.814 0.712 1.00 14.44 H new ATOM 0 HH21 ARG A 87 8.733 2.905 0.699 1.00 2.13 H new ATOM 0 HH22 ARG A 87 10.279 2.754 1.541 1.00 2.13 H new ATOM 1475 N ARG A 88 7.080 7.350 -5.171 1.00 3.43 N ATOM 1476 CA ARG A 88 5.681 7.504 -4.854 1.00 50.45 C ATOM 1477 C ARG A 88 4.848 7.168 -6.090 1.00 0.42 C ATOM 1478 O ARG A 88 4.007 6.305 -6.045 1.00 41.21 O ATOM 1479 CB ARG A 88 5.364 8.933 -4.464 1.00 71.22 C ATOM 1480 CG ARG A 88 4.011 9.086 -3.790 1.00 35.41 C ATOM 1481 CD ARG A 88 3.371 10.418 -4.114 1.00 10.23 C ATOM 1482 NE ARG A 88 2.828 10.415 -5.482 1.00 21.10 N ATOM 1483 CZ ARG A 88 3.357 11.039 -6.540 1.00 51.11 C ATOM 1484 NH1 ARG A 88 4.546 11.644 -6.444 1.00 54.54 N ATOM 1485 NH2 ARG A 88 2.718 11.013 -7.698 1.00 65.23 N ATOM 0 H ARG A 88 7.642 8.191 -5.041 1.00 3.43 H new ATOM 0 HA ARG A 88 5.449 6.839 -4.022 1.00 50.45 H new ATOM 0 HB2 ARG A 88 6.140 9.300 -3.792 1.00 71.22 H new ATOM 0 HB3 ARG A 88 5.391 9.560 -5.355 1.00 71.22 H new ATOM 0 HG2 ARG A 88 3.352 8.279 -4.109 1.00 35.41 H new ATOM 0 HG3 ARG A 88 4.130 8.992 -2.711 1.00 35.41 H new ATOM 0 HD2 ARG A 88 2.573 10.627 -3.401 1.00 10.23 H new ATOM 0 HD3 ARG A 88 4.107 11.215 -4.011 1.00 10.23 H new ATOM 0 HE ARG A 88 1.969 9.888 -5.638 1.00 21.10 H new ATOM 0 HH11 ARG A 88 5.055 11.631 -5.560 1.00 54.54 H new ATOM 0 HH12 ARG A 88 4.944 12.118 -7.255 1.00 54.54 H new ATOM 0 HH21 ARG A 88 1.829 10.520 -7.779 1.00 65.23 H new ATOM 0 HH22 ARG A 88 3.114 11.486 -8.510 1.00 65.23 H new ATOM 1499 N GLN A 89 5.163 7.840 -7.192 1.00 45.43 N ATOM 1500 CA GLN A 89 4.421 7.725 -8.447 1.00 14.24 C ATOM 1501 C GLN A 89 4.425 6.298 -9.031 1.00 60.31 C ATOM 1502 O GLN A 89 3.364 5.771 -9.408 1.00 73.33 O ATOM 1503 CB GLN A 89 4.991 8.709 -9.459 1.00 24.33 C ATOM 1504 CG GLN A 89 4.322 8.665 -10.814 1.00 22.31 C ATOM 1505 CD GLN A 89 4.931 9.650 -11.768 1.00 52.11 C ATOM 1506 OE1 GLN A 89 5.876 9.331 -12.487 1.00 71.24 O ATOM 1507 NE2 GLN A 89 4.417 10.842 -11.790 1.00 2.12 N ATOM 0 H GLN A 89 5.949 8.488 -7.242 1.00 45.43 H new ATOM 0 HA GLN A 89 3.380 7.961 -8.229 1.00 14.24 H new ATOM 0 HB2 GLN A 89 4.904 9.718 -9.056 1.00 24.33 H new ATOM 0 HB3 GLN A 89 6.055 8.507 -9.585 1.00 24.33 H new ATOM 0 HG2 GLN A 89 4.404 7.660 -11.228 1.00 22.31 H new ATOM 0 HG3 GLN A 89 3.259 8.877 -10.702 1.00 22.31 H new ATOM 0 HE21 GLN A 89 3.633 11.071 -11.179 1.00 2.12 H new ATOM 0 HE22 GLN A 89 4.797 11.550 -12.418 1.00 2.12 H new ATOM 1516 N GLY A 90 5.598 5.692 -9.110 1.00 13.14 N ATOM 1517 CA GLY A 90 5.724 4.364 -9.684 1.00 14.31 C ATOM 1518 C GLY A 90 4.975 3.328 -8.886 1.00 61.43 C ATOM 1519 O GLY A 90 4.228 2.518 -9.441 1.00 0.32 O ATOM 0 H GLY A 90 6.475 6.098 -8.784 1.00 13.14 H new ATOM 0 HA2 GLY A 90 5.348 4.375 -10.707 1.00 14.31 H new ATOM 0 HA3 GLY A 90 6.778 4.090 -9.735 1.00 14.31 H new ATOM 1523 N LEU A 91 5.150 3.372 -7.588 1.00 3.51 N ATOM 1524 CA LEU A 91 4.490 2.447 -6.686 1.00 40.13 C ATOM 1525 C LEU A 91 2.981 2.721 -6.635 1.00 35.43 C ATOM 1526 O LEU A 91 2.171 1.788 -6.532 1.00 50.43 O ATOM 1527 CB LEU A 91 5.135 2.487 -5.280 1.00 43.12 C ATOM 1528 CG LEU A 91 6.531 1.815 -5.093 1.00 62.11 C ATOM 1529 CD1 LEU A 91 6.437 0.343 -5.317 1.00 45.35 C ATOM 1530 CD2 LEU A 91 7.601 2.395 -6.007 1.00 74.11 C ATOM 0 H LEU A 91 5.754 4.049 -7.122 1.00 3.51 H new ATOM 0 HA LEU A 91 4.624 1.436 -7.070 1.00 40.13 H new ATOM 0 HB2 LEU A 91 5.226 3.532 -4.984 1.00 43.12 H new ATOM 0 HB3 LEU A 91 4.442 2.017 -4.582 1.00 43.12 H new ATOM 0 HG LEU A 91 6.831 2.021 -4.066 1.00 62.11 H new ATOM 0 HD11 LEU A 91 7.420 -0.109 -5.182 1.00 45.35 H new ATOM 0 HD12 LEU A 91 5.737 -0.090 -4.602 1.00 45.35 H new ATOM 0 HD13 LEU A 91 6.085 0.151 -6.331 1.00 45.35 H new ATOM 0 HD21 LEU A 91 8.548 1.885 -5.828 1.00 74.11 H new ATOM 0 HD22 LEU A 91 7.305 2.257 -7.047 1.00 74.11 H new ATOM 0 HD23 LEU A 91 7.717 3.459 -5.801 1.00 74.11 H new ATOM 1542 N GLU A 92 2.627 4.004 -6.736 1.00 1.41 N ATOM 1543 CA GLU A 92 1.238 4.478 -6.783 1.00 22.20 C ATOM 1544 C GLU A 92 0.523 3.800 -7.950 1.00 62.13 C ATOM 1545 O GLU A 92 -0.557 3.232 -7.794 1.00 15.44 O ATOM 1546 CB GLU A 92 1.257 6.009 -7.000 1.00 44.45 C ATOM 1547 CG GLU A 92 -0.078 6.728 -6.992 1.00 24.42 C ATOM 1548 CD GLU A 92 0.083 8.210 -7.327 1.00 3.44 C ATOM 1549 OE1 GLU A 92 0.386 9.025 -6.420 1.00 3.12 O ATOM 1550 OE2 GLU A 92 -0.096 8.578 -8.516 1.00 33.22 O ATOM 0 H GLU A 92 3.310 4.760 -6.789 1.00 1.41 H new ATOM 0 HA GLU A 92 0.717 4.241 -5.856 1.00 22.20 H new ATOM 0 HB2 GLU A 92 1.884 6.452 -6.226 1.00 44.45 H new ATOM 0 HB3 GLU A 92 1.742 6.209 -7.955 1.00 44.45 H new ATOM 0 HG2 GLU A 92 -0.748 6.261 -7.714 1.00 24.42 H new ATOM 0 HG3 GLU A 92 -0.543 6.624 -6.012 1.00 24.42 H new ATOM 1557 N ALA A 93 1.167 3.830 -9.107 1.00 61.13 N ATOM 1558 CA ALA A 93 0.604 3.263 -10.323 1.00 1.51 C ATOM 1559 C ALA A 93 0.664 1.738 -10.317 1.00 72.54 C ATOM 1560 O ALA A 93 -0.171 1.069 -10.929 1.00 51.43 O ATOM 1561 CB ALA A 93 1.326 3.813 -11.543 1.00 54.31 C ATOM 0 H ALA A 93 2.090 4.246 -9.229 1.00 61.13 H new ATOM 0 HA ALA A 93 -0.446 3.552 -10.367 1.00 1.51 H new ATOM 0 HB1 ALA A 93 0.895 3.381 -12.446 1.00 54.31 H new ATOM 0 HB2 ALA A 93 1.217 4.897 -11.572 1.00 54.31 H new ATOM 0 HB3 ALA A 93 2.384 3.556 -11.487 1.00 54.31 H new ATOM 1567 N TYR A 94 1.638 1.187 -9.631 1.00 15.34 N ATOM 1568 CA TYR A 94 1.799 -0.250 -9.598 1.00 24.25 C ATOM 1569 C TYR A 94 0.811 -0.939 -8.661 1.00 22.24 C ATOM 1570 O TYR A 94 0.228 -1.974 -9.024 1.00 2.12 O ATOM 1571 CB TYR A 94 3.231 -0.654 -9.298 1.00 74.34 C ATOM 1572 CG TYR A 94 3.424 -2.128 -9.211 1.00 53.32 C ATOM 1573 CD1 TYR A 94 3.474 -2.917 -10.350 1.00 31.13 C ATOM 1574 CD2 TYR A 94 3.528 -2.738 -7.996 1.00 73.14 C ATOM 1575 CE1 TYR A 94 3.628 -4.277 -10.255 1.00 60.22 C ATOM 1576 CE2 TYR A 94 3.675 -4.081 -7.894 1.00 41.11 C ATOM 1577 CZ TYR A 94 3.727 -4.851 -9.018 1.00 1.40 C ATOM 1578 OH TYR A 94 3.851 -6.203 -8.890 1.00 11.13 O ATOM 0 H TYR A 94 2.328 1.708 -9.090 1.00 15.34 H new ATOM 0 HA TYR A 94 1.564 -0.601 -10.603 1.00 24.25 H new ATOM 0 HB2 TYR A 94 3.884 -0.255 -10.075 1.00 74.34 H new ATOM 0 HB3 TYR A 94 3.540 -0.198 -8.357 1.00 74.34 H new ATOM 0 HD1 TYR A 94 3.391 -2.456 -11.323 1.00 31.13 H new ATOM 0 HD2 TYR A 94 3.493 -2.139 -7.098 1.00 73.14 H new ATOM 0 HE1 TYR A 94 3.670 -4.886 -11.146 1.00 60.22 H new ATOM 0 HE2 TYR A 94 3.751 -4.542 -6.921 1.00 41.11 H new ATOM 0 HH TYR A 94 4.080 -6.594 -9.759 1.00 11.13 H new ATOM 1588 N ILE A 95 0.611 -0.402 -7.461 1.00 2.15 N ATOM 1589 CA ILE A 95 -0.366 -1.009 -6.578 1.00 43.12 C ATOM 1590 C ILE A 95 -1.778 -0.775 -7.110 1.00 60.03 C ATOM 1591 O ILE A 95 -2.647 -1.627 -6.971 1.00 50.13 O ATOM 1592 CB ILE A 95 -0.211 -0.645 -5.058 1.00 41.13 C ATOM 1593 CG1 ILE A 95 1.151 -1.191 -4.544 1.00 15.21 C ATOM 1594 CG2 ILE A 95 -1.371 -1.245 -4.236 1.00 2.13 C ATOM 1595 CD1 ILE A 95 1.416 -1.005 -3.046 1.00 51.33 C ATOM 0 H ILE A 95 1.092 0.418 -7.093 1.00 2.15 H new ATOM 0 HA ILE A 95 -0.163 -2.080 -6.592 1.00 43.12 H new ATOM 0 HB ILE A 95 -0.240 0.438 -4.942 1.00 41.13 H new ATOM 0 HG12 ILE A 95 1.206 -2.255 -4.775 1.00 15.21 H new ATOM 0 HG13 ILE A 95 1.951 -0.702 -5.100 1.00 15.21 H new ATOM 0 HG21 ILE A 95 -1.246 -0.982 -3.185 1.00 2.13 H new ATOM 0 HG22 ILE A 95 -2.318 -0.847 -4.600 1.00 2.13 H new ATOM 0 HG23 ILE A 95 -1.369 -2.330 -4.341 1.00 2.13 H new ATOM 0 HD11 ILE A 95 2.392 -1.421 -2.795 1.00 51.33 H new ATOM 0 HD12 ILE A 95 1.401 0.057 -2.803 1.00 51.33 H new ATOM 0 HD13 ILE A 95 0.644 -1.519 -2.473 1.00 51.33 H new ATOM 1607 N GLN A 96 -1.982 0.357 -7.779 1.00 54.21 N ATOM 1608 CA GLN A 96 -3.252 0.600 -8.448 1.00 1.52 C ATOM 1609 C GLN A 96 -3.383 -0.427 -9.582 1.00 74.43 C ATOM 1610 O GLN A 96 -4.468 -0.919 -9.872 1.00 74.14 O ATOM 1611 CB GLN A 96 -3.312 2.066 -8.971 1.00 33.15 C ATOM 1612 CG GLN A 96 -4.661 2.529 -9.571 1.00 72.01 C ATOM 1613 CD GLN A 96 -5.019 1.914 -10.918 1.00 72.32 C ATOM 1614 OE1 GLN A 96 -4.145 1.586 -11.725 1.00 1.25 O ATOM 1615 NE2 GLN A 96 -6.297 1.754 -11.168 1.00 3.14 N ATOM 0 H GLN A 96 -1.297 1.107 -7.870 1.00 54.21 H new ATOM 0 HA GLN A 96 -4.089 0.482 -7.760 1.00 1.52 H new ATOM 0 HB2 GLN A 96 -3.058 2.733 -8.147 1.00 33.15 H new ATOM 0 HB3 GLN A 96 -2.540 2.189 -9.731 1.00 33.15 H new ATOM 0 HG2 GLN A 96 -5.455 2.296 -8.861 1.00 72.01 H new ATOM 0 HG3 GLN A 96 -4.639 3.613 -9.680 1.00 72.01 H new ATOM 0 HE21 GLN A 96 -6.991 2.037 -10.476 1.00 3.14 H new ATOM 0 HE22 GLN A 96 -6.596 1.346 -12.054 1.00 3.14 H new ATOM 1624 N GLY A 97 -2.242 -0.770 -10.178 1.00 52.20 N ATOM 1625 CA GLY A 97 -2.190 -1.739 -11.237 1.00 72.14 C ATOM 1626 C GLY A 97 -2.743 -3.082 -10.823 1.00 23.23 C ATOM 1627 O GLY A 97 -3.648 -3.607 -11.472 1.00 41.31 O ATOM 0 H GLY A 97 -1.335 -0.376 -9.930 1.00 52.20 H new ATOM 0 HA2 GLY A 97 -2.753 -1.367 -12.093 1.00 72.14 H new ATOM 0 HA3 GLY A 97 -1.157 -1.860 -11.563 1.00 72.14 H new ATOM 1631 N ILE A 98 -2.212 -3.632 -9.736 1.00 31.30 N ATOM 1632 CA ILE A 98 -2.693 -4.924 -9.201 1.00 44.43 C ATOM 1633 C ILE A 98 -4.124 -4.831 -8.712 1.00 72.20 C ATOM 1634 O ILE A 98 -4.910 -5.794 -8.835 1.00 14.20 O ATOM 1635 CB ILE A 98 -1.783 -5.482 -8.089 1.00 60.14 C ATOM 1636 CG1 ILE A 98 -1.489 -4.436 -7.034 1.00 71.42 C ATOM 1637 CG2 ILE A 98 -0.525 -6.010 -8.669 1.00 0.54 C ATOM 1638 CD1 ILE A 98 -0.613 -4.921 -5.905 1.00 2.10 C ATOM 0 H ILE A 98 -1.450 -3.214 -9.202 1.00 31.30 H new ATOM 0 HA ILE A 98 -2.658 -5.625 -10.035 1.00 44.43 H new ATOM 0 HB ILE A 98 -2.314 -6.299 -7.601 1.00 60.14 H new ATOM 0 HG12 ILE A 98 -1.008 -3.582 -7.510 1.00 71.42 H new ATOM 0 HG13 ILE A 98 -2.432 -4.080 -6.619 1.00 71.42 H new ATOM 0 HG21 ILE A 98 0.107 -6.401 -7.872 1.00 0.54 H new ATOM 0 HG22 ILE A 98 -0.756 -6.809 -9.373 1.00 0.54 H new ATOM 0 HG23 ILE A 98 0.000 -5.209 -9.189 1.00 0.54 H new ATOM 0 HD11 ILE A 98 -0.452 -4.110 -5.195 1.00 2.10 H new ATOM 0 HD12 ILE A 98 -1.100 -5.755 -5.399 1.00 2.10 H new ATOM 0 HD13 ILE A 98 0.347 -5.249 -6.304 1.00 2.10 H new ATOM 1650 N LEU A 99 -4.454 -3.680 -8.187 1.00 11.14 N ATOM 1651 CA LEU A 99 -5.777 -3.355 -7.732 1.00 14.13 C ATOM 1652 C LEU A 99 -6.789 -3.396 -8.894 1.00 11.11 C ATOM 1653 O LEU A 99 -7.930 -3.843 -8.738 1.00 21.21 O ATOM 1654 CB LEU A 99 -5.695 -1.998 -6.938 1.00 10.44 C ATOM 1655 CG LEU A 99 -6.922 -1.086 -6.726 1.00 51.55 C ATOM 1656 CD1 LEU A 99 -7.293 -0.353 -7.983 1.00 73.22 C ATOM 1657 CD2 LEU A 99 -8.105 -1.815 -6.131 1.00 55.11 C ATOM 0 H LEU A 99 -3.786 -2.919 -8.061 1.00 11.14 H new ATOM 0 HA LEU A 99 -6.165 -4.101 -7.038 1.00 14.13 H new ATOM 0 HB2 LEU A 99 -5.311 -2.239 -5.947 1.00 10.44 H new ATOM 0 HB3 LEU A 99 -4.938 -1.391 -7.434 1.00 10.44 H new ATOM 0 HG LEU A 99 -6.624 -0.342 -5.987 1.00 51.55 H new ATOM 0 HD11 LEU A 99 -8.161 0.278 -7.793 1.00 73.22 H new ATOM 0 HD12 LEU A 99 -6.456 0.267 -8.303 1.00 73.22 H new ATOM 0 HD13 LEU A 99 -7.532 -1.072 -8.767 1.00 73.22 H new ATOM 0 HD21 LEU A 99 -8.935 -1.120 -6.006 1.00 55.11 H new ATOM 0 HD22 LEU A 99 -8.406 -2.624 -6.796 1.00 55.11 H new ATOM 0 HD23 LEU A 99 -7.828 -2.227 -5.161 1.00 55.11 H new ATOM 1669 N TYR A 100 -6.353 -2.985 -10.051 1.00 52.45 N ATOM 1670 CA TYR A 100 -7.195 -2.990 -11.220 1.00 74.51 C ATOM 1671 C TYR A 100 -7.199 -4.383 -11.893 1.00 33.44 C ATOM 1672 O TYR A 100 -8.185 -4.775 -12.524 1.00 3.23 O ATOM 1673 CB TYR A 100 -6.722 -1.906 -12.201 1.00 11.11 C ATOM 1674 CG TYR A 100 -7.578 -1.766 -13.435 1.00 51.43 C ATOM 1675 CD1 TYR A 100 -8.766 -1.055 -13.391 1.00 51.03 C ATOM 1676 CD2 TYR A 100 -7.199 -2.338 -14.643 1.00 31.14 C ATOM 1677 CE1 TYR A 100 -9.555 -0.921 -14.510 1.00 11.14 C ATOM 1678 CE2 TYR A 100 -7.982 -2.207 -15.767 1.00 33.10 C ATOM 1679 CZ TYR A 100 -9.161 -1.499 -15.695 1.00 52.25 C ATOM 1680 OH TYR A 100 -9.949 -1.371 -16.816 1.00 52.31 O ATOM 0 H TYR A 100 -5.408 -2.638 -10.213 1.00 52.45 H new ATOM 0 HA TYR A 100 -8.219 -2.770 -10.918 1.00 74.51 H new ATOM 0 HB2 TYR A 100 -6.697 -0.948 -11.681 1.00 11.11 H new ATOM 0 HB3 TYR A 100 -5.700 -2.130 -12.506 1.00 11.11 H new ATOM 0 HD1 TYR A 100 -9.078 -0.598 -12.463 1.00 51.03 H new ATOM 0 HD2 TYR A 100 -6.275 -2.894 -14.701 1.00 31.14 H new ATOM 0 HE1 TYR A 100 -10.479 -0.365 -14.459 1.00 11.14 H new ATOM 0 HE2 TYR A 100 -7.674 -2.656 -16.699 1.00 33.10 H new ATOM 0 HH TYR A 100 -9.527 -1.837 -17.568 1.00 52.31 H new ATOM 1690 N LEU A 101 -6.111 -5.128 -11.726 1.00 20.32 N ATOM 1691 CA LEU A 101 -5.955 -6.431 -12.380 1.00 33.41 C ATOM 1692 C LEU A 101 -6.913 -7.492 -11.906 1.00 12.22 C ATOM 1693 O LEU A 101 -7.663 -8.039 -12.710 1.00 61.21 O ATOM 1694 CB LEU A 101 -4.544 -6.970 -12.234 1.00 52.35 C ATOM 1695 CG LEU A 101 -3.450 -6.269 -13.020 1.00 73.02 C ATOM 1696 CD1 LEU A 101 -2.133 -6.878 -12.666 1.00 70.11 C ATOM 1697 CD2 LEU A 101 -3.681 -6.428 -14.510 1.00 65.14 C ATOM 0 H LEU A 101 -5.320 -4.854 -11.143 1.00 20.32 H new ATOM 0 HA LEU A 101 -6.183 -6.222 -13.425 1.00 33.41 H new ATOM 0 HB2 LEU A 101 -4.277 -6.936 -11.178 1.00 52.35 H new ATOM 0 HB3 LEU A 101 -4.551 -8.020 -12.527 1.00 52.35 H new ATOM 0 HG LEU A 101 -3.460 -5.208 -12.771 1.00 73.02 H new ATOM 0 HD11 LEU A 101 -1.340 -6.381 -13.226 1.00 70.11 H new ATOM 0 HD12 LEU A 101 -1.953 -6.759 -11.598 1.00 70.11 H new ATOM 0 HD13 LEU A 101 -2.144 -7.939 -12.916 1.00 70.11 H new ATOM 0 HD21 LEU A 101 -2.888 -5.919 -15.058 1.00 65.14 H new ATOM 0 HD22 LEU A 101 -3.678 -7.487 -14.768 1.00 65.14 H new ATOM 0 HD23 LEU A 101 -4.643 -5.992 -14.778 1.00 65.14 H new ATOM 1709 N ASN A 102 -6.919 -7.798 -10.626 1.00 23.51 N ATOM 1710 CA ASN A 102 -7.740 -8.922 -10.198 1.00 72.20 C ATOM 1711 C ASN A 102 -8.209 -8.844 -8.766 1.00 72.53 C ATOM 1712 O ASN A 102 -9.406 -8.714 -8.514 1.00 1.34 O ATOM 1713 CB ASN A 102 -7.006 -10.268 -10.426 1.00 21.31 C ATOM 1714 CG ASN A 102 -7.857 -11.478 -10.031 1.00 23.02 C ATOM 1715 OD1 ASN A 102 -9.068 -11.455 -10.127 1.00 73.13 O ATOM 1716 ND2 ASN A 102 -7.226 -12.533 -9.592 1.00 53.13 N ATOM 0 H ASN A 102 -6.397 -7.317 -9.894 1.00 23.51 H new ATOM 0 HA ASN A 102 -8.632 -8.867 -10.822 1.00 72.20 H new ATOM 0 HB2 ASN A 102 -6.727 -10.352 -11.476 1.00 21.31 H new ATOM 0 HB3 ASN A 102 -6.081 -10.275 -9.849 1.00 21.31 H new ATOM 0 HD21 ASN A 102 -7.750 -13.364 -9.320 1.00 53.13 H new ATOM 0 HD22 ASN A 102 -6.208 -12.526 -9.521 1.00 53.13 H new ATOM 1723 N GLN A 103 -7.284 -8.895 -7.818 1.00 61.51 N ATOM 1724 CA GLN A 103 -7.699 -9.090 -6.425 1.00 2.03 C ATOM 1725 C GLN A 103 -8.087 -7.770 -5.748 1.00 52.21 C ATOM 1726 O GLN A 103 -8.446 -7.762 -4.575 1.00 74.05 O ATOM 1727 CB GLN A 103 -6.595 -9.807 -5.622 1.00 3.43 C ATOM 1728 CG GLN A 103 -7.088 -10.407 -4.307 1.00 52.30 C ATOM 1729 CD GLN A 103 -5.987 -10.949 -3.422 1.00 1.04 C ATOM 1730 OE1 GLN A 103 -4.880 -10.456 -3.417 1.00 64.45 O ATOM 1731 NE2 GLN A 103 -6.287 -11.975 -2.678 1.00 72.32 N ATOM 0 H GLN A 103 -6.279 -8.809 -7.971 1.00 61.51 H new ATOM 0 HA GLN A 103 -8.588 -9.720 -6.440 1.00 2.03 H new ATOM 0 HB2 GLN A 103 -6.167 -10.600 -6.236 1.00 3.43 H new ATOM 0 HB3 GLN A 103 -5.793 -9.100 -5.411 1.00 3.43 H new ATOM 0 HG2 GLN A 103 -7.639 -9.644 -3.757 1.00 52.30 H new ATOM 0 HG3 GLN A 103 -7.790 -11.211 -4.528 1.00 52.30 H new ATOM 0 HE21 GLN A 103 -7.228 -12.367 -2.705 1.00 72.32 H new ATOM 0 HE22 GLN A 103 -5.581 -12.387 -2.068 1.00 72.32 H new ATOM 1740 N GLU A 104 -8.044 -6.668 -6.517 1.00 64.12 N ATOM 1741 CA GLU A 104 -8.306 -5.311 -6.011 1.00 33.13 C ATOM 1742 C GLU A 104 -7.504 -4.970 -4.744 1.00 42.31 C ATOM 1743 O GLU A 104 -6.351 -4.548 -4.835 1.00 31.53 O ATOM 1744 CB GLU A 104 -9.822 -4.903 -5.950 1.00 44.44 C ATOM 1745 CG GLU A 104 -10.766 -5.857 -5.231 1.00 73.53 C ATOM 1746 CD GLU A 104 -12.164 -5.313 -5.121 1.00 13.33 C ATOM 1747 OE1 GLU A 104 -12.945 -5.430 -6.093 1.00 51.42 O ATOM 1748 OE2 GLU A 104 -12.516 -4.794 -4.045 1.00 34.44 O ATOM 0 H GLU A 104 -7.825 -6.695 -7.513 1.00 64.12 H new ATOM 0 HA GLU A 104 -7.910 -4.654 -6.785 1.00 33.13 H new ATOM 0 HB2 GLU A 104 -9.891 -3.929 -5.466 1.00 44.44 H new ATOM 0 HB3 GLU A 104 -10.180 -4.778 -6.972 1.00 44.44 H new ATOM 0 HG2 GLU A 104 -10.791 -6.808 -5.763 1.00 73.53 H new ATOM 0 HG3 GLU A 104 -10.380 -6.061 -4.232 1.00 73.53 H new ATOM 1755 N VAL A 105 -8.083 -5.173 -3.602 1.00 62.40 N ATOM 1756 CA VAL A 105 -7.382 -5.024 -2.372 1.00 1.23 C ATOM 1757 C VAL A 105 -6.906 -6.407 -1.923 1.00 5.03 C ATOM 1758 O VAL A 105 -7.723 -7.275 -1.590 1.00 74.51 O ATOM 1759 CB VAL A 105 -8.243 -4.307 -1.261 1.00 44.43 C ATOM 1760 CG1 VAL A 105 -9.604 -4.972 -1.065 1.00 22.33 C ATOM 1761 CG2 VAL A 105 -7.483 -4.258 0.064 1.00 24.53 C ATOM 0 H VAL A 105 -9.060 -5.448 -3.500 1.00 62.40 H new ATOM 0 HA VAL A 105 -6.524 -4.370 -2.530 1.00 1.23 H new ATOM 0 HB VAL A 105 -8.423 -3.289 -1.607 1.00 44.43 H new ATOM 0 HG11 VAL A 105 -10.159 -4.443 -0.291 1.00 22.33 H new ATOM 0 HG12 VAL A 105 -10.163 -4.938 -2.000 1.00 22.33 H new ATOM 0 HG13 VAL A 105 -9.462 -6.010 -0.764 1.00 22.33 H new ATOM 0 HG21 VAL A 105 -8.095 -3.760 0.816 1.00 24.53 H new ATOM 0 HG22 VAL A 105 -7.259 -5.273 0.393 1.00 24.53 H new ATOM 0 HG23 VAL A 105 -6.552 -3.707 -0.070 1.00 24.53 H new ATOM 1771 N PRO A 106 -5.578 -6.662 -1.970 1.00 44.40 N ATOM 1772 CA PRO A 106 -5.023 -7.946 -1.584 1.00 21.13 C ATOM 1773 C PRO A 106 -5.436 -8.323 -0.172 1.00 34.13 C ATOM 1774 O PRO A 106 -4.991 -7.717 0.820 1.00 2.44 O ATOM 1775 CB PRO A 106 -3.506 -7.766 -1.703 1.00 72.31 C ATOM 1776 CG PRO A 106 -3.336 -6.609 -2.624 1.00 32.42 C ATOM 1777 CD PRO A 106 -4.533 -5.721 -2.412 1.00 31.32 C ATOM 0 HA PRO A 106 -5.384 -8.758 -2.215 1.00 21.13 H new ATOM 0 HB2 PRO A 106 -3.053 -7.569 -0.731 1.00 72.31 H new ATOM 0 HB3 PRO A 106 -3.030 -8.663 -2.101 1.00 72.31 H new ATOM 0 HG2 PRO A 106 -2.411 -6.073 -2.409 1.00 32.42 H new ATOM 0 HG3 PRO A 106 -3.278 -6.942 -3.660 1.00 32.42 H new ATOM 0 HD2 PRO A 106 -4.338 -4.955 -1.662 1.00 31.32 H new ATOM 0 HD3 PRO A 106 -4.818 -5.204 -3.328 1.00 31.32 H new ATOM 1785 N LYS A 107 -6.308 -9.310 -0.097 1.00 72.21 N ATOM 1786 CA LYS A 107 -6.898 -9.785 1.136 1.00 22.41 C ATOM 1787 C LYS A 107 -5.792 -10.244 2.100 1.00 52.33 C ATOM 1788 O LYS A 107 -5.960 -10.204 3.301 1.00 4.35 O ATOM 1789 CB LYS A 107 -7.879 -10.934 0.798 1.00 63.40 C ATOM 1790 CG LYS A 107 -9.104 -11.090 1.725 1.00 55.20 C ATOM 1791 CD LYS A 107 -8.783 -11.500 3.151 1.00 35.32 C ATOM 1792 CE LYS A 107 -10.067 -11.578 3.967 1.00 62.31 C ATOM 1793 NZ LYS A 107 -9.845 -12.044 5.348 1.00 72.21 N ATOM 0 H LYS A 107 -6.634 -9.818 -0.919 1.00 72.21 H new ATOM 0 HA LYS A 107 -7.451 -8.987 1.632 1.00 22.41 H new ATOM 0 HB2 LYS A 107 -8.239 -10.787 -0.220 1.00 63.40 H new ATOM 0 HB3 LYS A 107 -7.323 -11.871 0.807 1.00 63.40 H new ATOM 0 HG2 LYS A 107 -9.646 -10.144 1.748 1.00 55.20 H new ATOM 0 HG3 LYS A 107 -9.776 -11.831 1.292 1.00 55.20 H new ATOM 0 HD2 LYS A 107 -8.279 -12.466 3.156 1.00 35.32 H new ATOM 0 HD3 LYS A 107 -8.099 -10.781 3.601 1.00 35.32 H new ATOM 0 HE2 LYS A 107 -10.535 -10.594 3.992 1.00 62.31 H new ATOM 0 HE3 LYS A 107 -10.766 -12.251 3.470 1.00 62.31 H new ATOM 0 HZ1 LYS A 107 -10.759 -12.271 5.789 1.00 72.21 H new ATOM 0 HZ2 LYS A 107 -9.246 -12.894 5.335 1.00 72.21 H new ATOM 0 HZ3 LYS A 107 -9.373 -11.296 5.895 1.00 72.21 H new ATOM 1807 N GLU A 108 -4.647 -10.622 1.558 1.00 23.30 N ATOM 1808 CA GLU A 108 -3.544 -11.058 2.378 1.00 42.20 C ATOM 1809 C GLU A 108 -2.946 -9.888 3.185 1.00 73.44 C ATOM 1810 O GLU A 108 -2.586 -10.056 4.355 1.00 34.23 O ATOM 1811 CB GLU A 108 -2.469 -11.740 1.553 1.00 71.22 C ATOM 1812 CG GLU A 108 -1.378 -12.314 2.417 1.00 13.51 C ATOM 1813 CD GLU A 108 -0.322 -13.027 1.655 1.00 62.24 C ATOM 1814 OE1 GLU A 108 -0.566 -14.182 1.250 1.00 22.43 O ATOM 1815 OE2 GLU A 108 0.772 -12.462 1.486 1.00 65.34 O ATOM 0 H GLU A 108 -4.463 -10.634 0.555 1.00 23.30 H new ATOM 0 HA GLU A 108 -3.940 -11.789 3.082 1.00 42.20 H new ATOM 0 HB2 GLU A 108 -2.918 -12.536 0.958 1.00 71.22 H new ATOM 0 HB3 GLU A 108 -2.039 -11.023 0.853 1.00 71.22 H new ATOM 0 HG2 GLU A 108 -0.919 -11.508 2.989 1.00 13.51 H new ATOM 0 HG3 GLU A 108 -1.821 -13.003 3.136 1.00 13.51 H new ATOM 1822 N LEU A 109 -2.857 -8.697 2.580 1.00 23.54 N ATOM 1823 CA LEU A 109 -2.334 -7.566 3.282 1.00 32.41 C ATOM 1824 C LEU A 109 -3.398 -7.061 4.227 1.00 12.40 C ATOM 1825 O LEU A 109 -3.107 -6.501 5.277 1.00 32.51 O ATOM 1826 CB LEU A 109 -1.723 -6.468 2.343 1.00 63.54 C ATOM 1827 CG LEU A 109 -2.646 -5.719 1.368 1.00 4.31 C ATOM 1828 CD1 LEU A 109 -3.591 -4.837 2.118 1.00 35.54 C ATOM 1829 CD2 LEU A 109 -1.835 -4.905 0.381 1.00 23.10 C ATOM 0 H LEU A 109 -3.142 -8.513 1.618 1.00 23.54 H new ATOM 0 HA LEU A 109 -1.470 -7.875 3.870 1.00 32.41 H new ATOM 0 HB2 LEU A 109 -1.242 -5.724 2.978 1.00 63.54 H new ATOM 0 HB3 LEU A 109 -0.937 -6.940 1.754 1.00 63.54 H new ATOM 0 HG LEU A 109 -3.225 -6.455 0.811 1.00 4.31 H new ATOM 0 HD11 LEU A 109 -4.237 -4.314 1.413 1.00 35.54 H new ATOM 0 HD12 LEU A 109 -4.200 -5.443 2.788 1.00 35.54 H new ATOM 0 HD13 LEU A 109 -3.025 -4.110 2.700 1.00 35.54 H new ATOM 0 HD21 LEU A 109 -2.508 -4.383 -0.300 1.00 23.10 H new ATOM 0 HD22 LEU A 109 -1.229 -4.178 0.921 1.00 23.10 H new ATOM 0 HD23 LEU A 109 -1.184 -5.568 -0.189 1.00 23.10 H new ATOM 1841 N LEU A 110 -4.658 -7.252 3.803 1.00 52.31 N ATOM 1842 CA LEU A 110 -5.828 -6.931 4.589 1.00 62.44 C ATOM 1843 C LEU A 110 -5.699 -7.706 5.918 1.00 4.42 C ATOM 1844 O LEU A 110 -6.014 -7.202 6.987 1.00 61.34 O ATOM 1845 CB LEU A 110 -7.097 -7.353 3.773 1.00 4.33 C ATOM 1846 CG LEU A 110 -8.509 -6.863 4.211 1.00 43.20 C ATOM 1847 CD1 LEU A 110 -8.918 -7.355 5.581 1.00 31.31 C ATOM 1848 CD2 LEU A 110 -8.618 -5.351 4.114 1.00 35.02 C ATOM 0 H LEU A 110 -4.880 -7.641 2.887 1.00 52.31 H new ATOM 0 HA LEU A 110 -5.917 -5.867 4.807 1.00 62.44 H new ATOM 0 HB2 LEU A 110 -6.945 -7.023 2.745 1.00 4.33 H new ATOM 0 HB3 LEU A 110 -7.124 -8.443 3.757 1.00 4.33 H new ATOM 0 HG LEU A 110 -9.215 -7.307 3.509 1.00 43.20 H new ATOM 0 HD11 LEU A 110 -9.911 -6.976 5.822 1.00 31.31 H new ATOM 0 HD12 LEU A 110 -8.934 -8.445 5.586 1.00 31.31 H new ATOM 0 HD13 LEU A 110 -8.204 -6.999 6.324 1.00 31.31 H new ATOM 0 HD21 LEU A 110 -9.614 -5.037 4.426 1.00 35.02 H new ATOM 0 HD22 LEU A 110 -7.873 -4.890 4.762 1.00 35.02 H new ATOM 0 HD23 LEU A 110 -8.445 -5.039 3.084 1.00 35.02 H new ATOM 1860 N GLU A 111 -5.198 -8.923 5.824 1.00 24.54 N ATOM 1861 CA GLU A 111 -4.906 -9.735 6.989 1.00 52.35 C ATOM 1862 C GLU A 111 -3.622 -9.273 7.666 1.00 53.13 C ATOM 1863 O GLU A 111 -3.477 -9.413 8.878 1.00 71.21 O ATOM 1864 CB GLU A 111 -4.726 -11.195 6.585 1.00 73.33 C ATOM 1865 CG GLU A 111 -5.919 -11.801 5.902 1.00 73.51 C ATOM 1866 CD GLU A 111 -7.130 -11.787 6.763 1.00 2.31 C ATOM 1867 OE1 GLU A 111 -7.897 -10.814 6.715 1.00 11.24 O ATOM 1868 OE2 GLU A 111 -7.354 -12.771 7.481 1.00 41.24 O ATOM 0 H GLU A 111 -4.982 -9.377 4.936 1.00 24.54 H new ATOM 0 HA GLU A 111 -5.744 -9.632 7.678 1.00 52.35 H new ATOM 0 HB2 GLU A 111 -3.865 -11.272 5.922 1.00 73.33 H new ATOM 0 HB3 GLU A 111 -4.496 -11.780 7.475 1.00 73.33 H new ATOM 0 HG2 GLU A 111 -6.124 -11.254 4.982 1.00 73.51 H new ATOM 0 HG3 GLU A 111 -5.690 -12.828 5.618 1.00 73.51 H new ATOM 1875 N PHE A 112 -2.717 -8.681 6.881 1.00 23.04 N ATOM 1876 CA PHE A 112 -1.371 -8.385 7.329 1.00 2.00 C ATOM 1877 C PHE A 112 -1.330 -7.465 8.537 1.00 42.42 C ATOM 1878 O PHE A 112 -0.626 -7.741 9.504 1.00 21.35 O ATOM 1879 CB PHE A 112 -0.439 -7.915 6.185 1.00 24.34 C ATOM 1880 CG PHE A 112 1.014 -7.769 6.587 1.00 11.22 C ATOM 1881 CD1 PHE A 112 1.766 -8.887 6.908 1.00 71.32 C ATOM 1882 CD2 PHE A 112 1.617 -6.529 6.654 1.00 32.42 C ATOM 1883 CE1 PHE A 112 3.088 -8.769 7.285 1.00 52.23 C ATOM 1884 CE2 PHE A 112 2.937 -6.402 7.031 1.00 75.30 C ATOM 1885 CZ PHE A 112 3.675 -7.523 7.348 1.00 23.22 C ATOM 0 H PHE A 112 -2.906 -8.397 5.920 1.00 23.04 H new ATOM 0 HA PHE A 112 -0.966 -9.338 7.670 1.00 2.00 H new ATOM 0 HB2 PHE A 112 -0.507 -8.626 5.361 1.00 24.34 H new ATOM 0 HB3 PHE A 112 -0.798 -6.957 5.809 1.00 24.34 H new ATOM 0 HD1 PHE A 112 1.311 -9.865 6.863 1.00 71.32 H new ATOM 0 HD2 PHE A 112 1.047 -5.646 6.408 1.00 32.42 H new ATOM 0 HE1 PHE A 112 3.662 -9.651 7.530 1.00 52.23 H new ATOM 0 HE2 PHE A 112 3.393 -5.424 7.078 1.00 75.30 H new ATOM 0 HZ PHE A 112 4.709 -7.425 7.644 1.00 23.22 H new ATOM 1895 N LEU A 113 -2.096 -6.396 8.503 1.00 33.41 N ATOM 1896 CA LEU A 113 -2.147 -5.497 9.655 1.00 34.32 C ATOM 1897 C LEU A 113 -3.525 -5.557 10.276 1.00 42.51 C ATOM 1898 O LEU A 113 -3.857 -4.733 11.127 1.00 74.42 O ATOM 1899 CB LEU A 113 -1.862 -4.019 9.294 1.00 33.21 C ATOM 1900 CG LEU A 113 -0.574 -3.661 8.548 1.00 23.21 C ATOM 1901 CD1 LEU A 113 -0.670 -4.044 7.078 1.00 2.24 C ATOM 1902 CD2 LEU A 113 -0.269 -2.178 8.706 1.00 52.23 C ATOM 0 H LEU A 113 -2.683 -6.125 7.714 1.00 33.41 H new ATOM 0 HA LEU A 113 -1.370 -5.834 10.341 1.00 34.32 H new ATOM 0 HB2 LEU A 113 -2.698 -3.663 8.692 1.00 33.21 H new ATOM 0 HB3 LEU A 113 -1.871 -3.448 10.223 1.00 33.21 H new ATOM 0 HG LEU A 113 0.246 -4.231 8.985 1.00 23.21 H new ATOM 0 HD11 LEU A 113 0.258 -3.779 6.572 1.00 2.24 H new ATOM 0 HD12 LEU A 113 -0.836 -5.118 6.992 1.00 2.24 H new ATOM 0 HD13 LEU A 113 -1.501 -3.510 6.616 1.00 2.24 H new ATOM 0 HD21 LEU A 113 0.649 -1.936 8.171 1.00 52.23 H new ATOM 0 HD22 LEU A 113 -1.092 -1.592 8.297 1.00 52.23 H new ATOM 0 HD23 LEU A 113 -0.146 -1.943 9.763 1.00 52.23 H new ATOM 1914 N ARG A 114 -4.323 -6.566 9.857 1.00 73.22 N ATOM 1915 CA ARG A 114 -5.738 -6.696 10.272 1.00 61.25 C ATOM 1916 C ARG A 114 -6.507 -5.463 9.803 1.00 73.35 C ATOM 1917 O ARG A 114 -7.447 -5.024 10.439 1.00 32.01 O ATOM 1918 CB ARG A 114 -5.904 -6.901 11.812 1.00 64.42 C ATOM 1919 CG ARG A 114 -5.390 -8.245 12.378 1.00 45.03 C ATOM 1920 CD ARG A 114 -3.870 -8.397 12.319 1.00 42.35 C ATOM 1921 NE ARG A 114 -3.178 -7.381 13.133 1.00 12.14 N ATOM 1922 CZ ARG A 114 -1.847 -7.314 13.315 1.00 14.33 C ATOM 1923 NH1 ARG A 114 -1.050 -8.215 12.759 1.00 71.22 N ATOM 1924 NH2 ARG A 114 -1.323 -6.342 14.059 1.00 2.23 N ATOM 0 H ARG A 114 -4.008 -7.305 9.229 1.00 73.22 H new ATOM 0 HA ARG A 114 -6.144 -7.593 9.805 1.00 61.25 H new ATOM 0 HB2 ARG A 114 -5.384 -6.092 12.324 1.00 64.42 H new ATOM 0 HB3 ARG A 114 -6.961 -6.807 12.059 1.00 64.42 H new ATOM 0 HG2 ARG A 114 -5.716 -8.341 13.414 1.00 45.03 H new ATOM 0 HG3 ARG A 114 -5.850 -9.062 11.822 1.00 45.03 H new ATOM 0 HD2 ARG A 114 -3.592 -9.391 12.668 1.00 42.35 H new ATOM 0 HD3 ARG A 114 -3.538 -8.319 11.284 1.00 42.35 H new ATOM 0 HE ARG A 114 -3.752 -6.675 13.593 1.00 12.14 H new ATOM 0 HH11 ARG A 114 -1.445 -8.964 12.190 1.00 71.22 H new ATOM 0 HH12 ARG A 114 -0.041 -8.160 12.900 1.00 71.22 H new ATOM 0 HH21 ARG A 114 -1.931 -5.647 14.492 1.00 2.23 H new ATOM 0 HH22 ARG A 114 -0.313 -6.293 14.196 1.00 2.23 H new ATOM 1938 N LEU A 115 -6.135 -5.011 8.597 1.00 73.21 N ATOM 1939 CA LEU A 115 -6.574 -3.763 7.920 1.00 22.20 C ATOM 1940 C LEU A 115 -8.077 -3.630 7.671 1.00 21.33 C ATOM 1941 O LEU A 115 -8.502 -2.707 6.957 1.00 21.14 O ATOM 1942 CB LEU A 115 -5.872 -3.659 6.572 1.00 12.25 C ATOM 1943 CG LEU A 115 -4.380 -3.499 6.581 1.00 30.04 C ATOM 1944 CD1 LEU A 115 -3.859 -3.514 5.160 1.00 50.24 C ATOM 1945 CD2 LEU A 115 -4.000 -2.213 7.276 1.00 45.02 C ATOM 0 H LEU A 115 -5.476 -5.536 8.023 1.00 73.21 H new ATOM 0 HA LEU A 115 -6.309 -2.963 8.612 1.00 22.20 H new ATOM 0 HB2 LEU A 115 -6.111 -4.554 5.998 1.00 12.25 H new ATOM 0 HB3 LEU A 115 -6.298 -2.812 6.035 1.00 12.25 H new ATOM 0 HG LEU A 115 -3.931 -4.328 7.128 1.00 30.04 H new ATOM 0 HD11 LEU A 115 -2.775 -3.398 5.169 1.00 50.24 H new ATOM 0 HD12 LEU A 115 -4.119 -4.461 4.687 1.00 50.24 H new ATOM 0 HD13 LEU A 115 -4.308 -2.694 4.599 1.00 50.24 H new ATOM 0 HD21 LEU A 115 -2.915 -2.107 7.277 1.00 45.02 H new ATOM 0 HD22 LEU A 115 -4.447 -1.369 6.750 1.00 45.02 H new ATOM 0 HD23 LEU A 115 -4.363 -2.234 8.303 1.00 45.02 H new ATOM 1957 N ARG A 116 -8.867 -4.488 8.231 1.00 5.33 N ATOM 1958 CA ARG A 116 -10.276 -4.408 8.040 1.00 62.50 C ATOM 1959 C ARG A 116 -10.833 -3.193 8.772 1.00 52.01 C ATOM 1960 O ARG A 116 -10.614 -3.015 9.972 1.00 20.42 O ATOM 1961 CB ARG A 116 -10.976 -5.726 8.435 1.00 3.52 C ATOM 1962 CG ARG A 116 -10.747 -6.195 9.868 1.00 32.34 C ATOM 1963 CD ARG A 116 -11.385 -7.559 10.089 1.00 52.15 C ATOM 1964 NE ARG A 116 -11.180 -8.071 11.449 1.00 12.23 N ATOM 1965 CZ ARG A 116 -11.231 -9.376 11.792 1.00 42.24 C ATOM 1966 NH1 ARG A 116 -11.417 -10.313 10.863 1.00 25.22 N ATOM 1967 NH2 ARG A 116 -11.073 -9.739 13.056 1.00 64.22 N ATOM 0 H ARG A 116 -8.557 -5.255 8.827 1.00 5.33 H new ATOM 0 HA ARG A 116 -10.484 -4.271 6.979 1.00 62.50 H new ATOM 0 HB2 ARG A 116 -12.048 -5.607 8.278 1.00 3.52 H new ATOM 0 HB3 ARG A 116 -10.640 -6.511 7.758 1.00 3.52 H new ATOM 0 HG2 ARG A 116 -9.678 -6.249 10.073 1.00 32.34 H new ATOM 0 HG3 ARG A 116 -11.169 -5.472 10.566 1.00 32.34 H new ATOM 0 HD2 ARG A 116 -12.454 -7.491 9.889 1.00 52.15 H new ATOM 0 HD3 ARG A 116 -10.971 -8.269 9.373 1.00 52.15 H new ATOM 0 HE ARG A 116 -10.985 -7.394 12.187 1.00 12.23 H new ATOM 0 HH11 ARG A 116 -11.522 -10.047 9.884 1.00 25.22 H new ATOM 0 HH12 ARG A 116 -11.454 -11.296 11.131 1.00 25.22 H new ATOM 0 HH21 ARG A 116 -10.912 -9.032 13.773 1.00 64.22 H new ATOM 0 HH22 ARG A 116 -11.112 -10.726 13.312 1.00 64.22 H new ATOM 1981 N HIS A 117 -11.500 -2.343 8.005 1.00 13.13 N ATOM 1982 CA HIS A 117 -12.144 -1.083 8.437 1.00 22.24 C ATOM 1983 C HIS A 117 -11.185 -0.091 9.161 1.00 62.34 C ATOM 1984 O HIS A 117 -11.639 0.817 9.864 1.00 21.42 O ATOM 1985 CB HIS A 117 -13.479 -1.308 9.221 1.00 31.11 C ATOM 1986 CG HIS A 117 -13.389 -1.775 10.658 1.00 35.14 C ATOM 1987 ND1 HIS A 117 -13.391 -0.903 11.720 1.00 44.45 N ATOM 1988 CD2 HIS A 117 -13.337 -3.014 11.201 1.00 70.44 C ATOM 1989 CE1 HIS A 117 -13.340 -1.575 12.845 1.00 75.14 C ATOM 1990 NE2 HIS A 117 -13.308 -2.853 12.561 1.00 62.21 N ATOM 0 H HIS A 117 -11.621 -2.511 7.006 1.00 13.13 H new ATOM 0 HA HIS A 117 -12.417 -0.587 7.506 1.00 22.24 H new ATOM 0 HB2 HIS A 117 -14.036 -0.371 9.209 1.00 31.11 H new ATOM 0 HB3 HIS A 117 -14.071 -2.038 8.669 1.00 31.11 H new ATOM 0 HD2 HIS A 117 -13.321 -3.951 10.664 1.00 70.44 H new ATOM 0 HE1 HIS A 117 -13.327 -1.147 13.837 1.00 75.14 H new ATOM 0 HE2 HIS A 117 -13.268 -3.609 13.244 1.00 62.21 H new ATOM 1999 N PHE A 118 -9.873 -0.246 8.941 1.00 51.24 N ATOM 2000 CA PHE A 118 -8.861 0.679 9.507 1.00 12.22 C ATOM 2001 C PHE A 118 -9.050 2.118 9.007 1.00 45.14 C ATOM 2002 O PHE A 118 -9.523 2.327 7.895 1.00 0.13 O ATOM 2003 CB PHE A 118 -7.428 0.194 9.210 1.00 5.34 C ATOM 2004 CG PHE A 118 -6.774 -0.543 10.348 1.00 23.13 C ATOM 2005 CD1 PHE A 118 -7.188 -1.799 10.726 1.00 25.43 C ATOM 2006 CD2 PHE A 118 -5.728 0.047 11.043 1.00 72.21 C ATOM 2007 CE1 PHE A 118 -6.574 -2.458 11.778 1.00 33.42 C ATOM 2008 CE2 PHE A 118 -5.113 -0.607 12.089 1.00 0.11 C ATOM 2009 CZ PHE A 118 -5.537 -1.862 12.460 1.00 71.41 C ATOM 0 H PHE A 118 -9.480 -1.000 8.377 1.00 51.24 H new ATOM 0 HA PHE A 118 -9.010 0.680 10.587 1.00 12.22 H new ATOM 0 HB2 PHE A 118 -7.451 -0.458 8.337 1.00 5.34 H new ATOM 0 HB3 PHE A 118 -6.813 1.055 8.949 1.00 5.34 H new ATOM 0 HD1 PHE A 118 -8.000 -2.276 10.197 1.00 25.43 H new ATOM 0 HD2 PHE A 118 -5.391 1.033 10.760 1.00 72.21 H new ATOM 0 HE1 PHE A 118 -6.910 -3.444 12.065 1.00 33.42 H new ATOM 0 HE2 PHE A 118 -4.298 -0.134 12.617 1.00 0.11 H new ATOM 0 HZ PHE A 118 -5.060 -2.376 13.281 1.00 71.41 H new ATOM 2019 N PRO A 119 -8.704 3.129 9.845 1.00 0.21 N ATOM 2020 CA PRO A 119 -8.824 4.554 9.478 1.00 40.14 C ATOM 2021 C PRO A 119 -7.891 4.953 8.322 1.00 23.11 C ATOM 2022 O PRO A 119 -7.028 4.161 7.885 1.00 65.42 O ATOM 2023 CB PRO A 119 -8.433 5.298 10.766 1.00 5.31 C ATOM 2024 CG PRO A 119 -7.626 4.317 11.544 1.00 55.21 C ATOM 2025 CD PRO A 119 -8.186 2.965 11.218 1.00 35.14 C ATOM 0 HA PRO A 119 -9.827 4.790 9.122 1.00 40.14 H new ATOM 0 HB2 PRO A 119 -7.857 6.196 10.544 1.00 5.31 H new ATOM 0 HB3 PRO A 119 -9.315 5.614 11.323 1.00 5.31 H new ATOM 0 HG2 PRO A 119 -6.572 4.378 11.273 1.00 55.21 H new ATOM 0 HG3 PRO A 119 -7.692 4.519 12.613 1.00 55.21 H new ATOM 0 HD2 PRO A 119 -7.421 2.191 11.268 1.00 35.14 H new ATOM 0 HD3 PRO A 119 -8.975 2.679 11.913 1.00 35.14 H new ATOM 2033 N THR A 120 -8.043 6.165 7.847 1.00 34.33 N ATOM 2034 CA THR A 120 -7.289 6.627 6.718 1.00 21.45 C ATOM 2035 C THR A 120 -6.808 8.085 6.934 1.00 33.12 C ATOM 2036 O THR A 120 -7.216 8.754 7.902 1.00 70.34 O ATOM 2037 CB THR A 120 -8.167 6.526 5.429 1.00 60.15 C ATOM 2038 OG1 THR A 120 -7.412 6.867 4.264 1.00 73.02 O ATOM 2039 CG2 THR A 120 -9.381 7.445 5.537 1.00 33.23 C ATOM 0 H THR A 120 -8.690 6.852 8.233 1.00 34.33 H new ATOM 0 HA THR A 120 -6.406 5.998 6.602 1.00 21.45 H new ATOM 0 HB THR A 120 -8.503 5.493 5.337 1.00 60.15 H new ATOM 0 HG1 THR A 120 -7.265 6.063 3.723 1.00 73.02 H new ATOM 0 HG21 THR A 120 -9.982 7.362 4.631 1.00 33.23 H new ATOM 0 HG22 THR A 120 -9.982 7.154 6.399 1.00 33.23 H new ATOM 0 HG23 THR A 120 -9.048 8.476 5.658 1.00 33.23 H new ATOM 2047 N ASP A 121 -5.955 8.539 6.053 1.00 14.31 N ATOM 2048 CA ASP A 121 -5.402 9.878 6.037 1.00 71.40 C ATOM 2049 C ASP A 121 -5.753 10.545 4.703 1.00 51.22 C ATOM 2050 O ASP A 121 -6.102 9.850 3.741 1.00 41.44 O ATOM 2051 CB ASP A 121 -3.857 9.847 6.204 1.00 10.11 C ATOM 2052 CG ASP A 121 -3.387 9.418 7.576 1.00 71.03 C ATOM 2053 OD1 ASP A 121 -3.328 10.278 8.477 1.00 62.44 O ATOM 2054 OD2 ASP A 121 -3.039 8.228 7.777 1.00 1.11 O ATOM 0 H ASP A 121 -5.607 7.961 5.288 1.00 14.31 H new ATOM 0 HA ASP A 121 -5.826 10.441 6.869 1.00 71.40 H new ATOM 0 HB2 ASP A 121 -3.437 9.170 5.461 1.00 10.11 H new ATOM 0 HB3 ASP A 121 -3.460 10.840 5.991 1.00 10.11 H new ATOM 2059 N PRO A 122 -5.700 11.891 4.625 1.00 44.22 N ATOM 2060 CA PRO A 122 -5.980 12.632 3.384 1.00 31.00 C ATOM 2061 C PRO A 122 -4.796 12.596 2.385 1.00 34.44 C ATOM 2062 O PRO A 122 -3.876 11.767 2.517 1.00 2.21 O ATOM 2063 CB PRO A 122 -6.224 14.078 3.876 1.00 31.15 C ATOM 2064 CG PRO A 122 -6.250 13.987 5.368 1.00 72.13 C ATOM 2065 CD PRO A 122 -5.404 12.808 5.718 1.00 32.12 C ATOM 0 HA PRO A 122 -6.820 12.201 2.839 1.00 31.00 H new ATOM 0 HB2 PRO A 122 -5.434 14.748 3.536 1.00 31.15 H new ATOM 0 HB3 PRO A 122 -7.164 14.472 3.489 1.00 31.15 H new ATOM 0 HG2 PRO A 122 -5.859 14.897 5.822 1.00 72.13 H new ATOM 0 HG3 PRO A 122 -7.269 13.860 5.734 1.00 72.13 H new ATOM 0 HD2 PRO A 122 -4.345 13.063 5.761 1.00 32.12 H new ATOM 0 HD3 PRO A 122 -5.671 12.387 6.688 1.00 32.12 H new ATOM 2073 N LYS A 123 -4.828 13.532 1.414 1.00 0.20 N ATOM 2074 CA LYS A 123 -3.867 13.641 0.296 1.00 0.34 C ATOM 2075 C LYS A 123 -4.138 12.594 -0.766 1.00 1.35 C ATOM 2076 O LYS A 123 -4.099 11.398 -0.499 1.00 22.21 O ATOM 2077 CB LYS A 123 -2.368 13.580 0.705 1.00 73.23 C ATOM 2078 CG LYS A 123 -1.837 14.702 1.576 1.00 3.34 C ATOM 2079 CD LYS A 123 -0.322 14.536 1.770 1.00 15.20 C ATOM 2080 CE LYS A 123 0.259 15.623 2.649 1.00 24.25 C ATOM 2081 NZ LYS A 123 1.734 15.514 2.800 1.00 63.30 N ATOM 0 H LYS A 123 -5.546 14.256 1.385 1.00 0.20 H new ATOM 0 HA LYS A 123 -4.035 14.642 -0.101 1.00 0.34 H new ATOM 0 HB2 LYS A 123 -2.199 12.639 1.228 1.00 73.23 H new ATOM 0 HB3 LYS A 123 -1.771 13.550 -0.206 1.00 73.23 H new ATOM 0 HG2 LYS A 123 -2.051 15.666 1.114 1.00 3.34 H new ATOM 0 HG3 LYS A 123 -2.340 14.694 2.543 1.00 3.34 H new ATOM 0 HD2 LYS A 123 -0.118 13.562 2.215 1.00 15.20 H new ATOM 0 HD3 LYS A 123 0.172 14.552 0.799 1.00 15.20 H new ATOM 0 HE2 LYS A 123 0.013 16.597 2.226 1.00 24.25 H new ATOM 0 HE3 LYS A 123 -0.207 15.576 3.633 1.00 24.25 H new ATOM 0 HZ1 LYS A 123 2.015 15.875 3.734 1.00 63.30 H new ATOM 0 HZ2 LYS A 123 2.019 14.518 2.713 1.00 63.30 H new ATOM 0 HZ3 LYS A 123 2.201 16.073 2.058 1.00 63.30 H new ATOM 2095 N ALA A 124 -4.424 13.035 -1.962 1.00 25.10 N ATOM 2096 CA ALA A 124 -4.591 12.119 -3.058 1.00 10.24 C ATOM 2097 C ALA A 124 -3.203 11.720 -3.545 1.00 71.33 C ATOM 2098 O ALA A 124 -2.781 10.564 -3.400 1.00 50.35 O ATOM 2099 CB ALA A 124 -5.417 12.755 -4.172 1.00 64.25 C ATOM 0 H ALA A 124 -4.546 14.019 -2.201 1.00 25.10 H new ATOM 0 HA ALA A 124 -5.135 11.231 -2.736 1.00 10.24 H new ATOM 0 HB1 ALA A 124 -5.531 12.045 -4.991 1.00 64.25 H new ATOM 0 HB2 ALA A 124 -6.400 13.026 -3.787 1.00 64.25 H new ATOM 0 HB3 ALA A 124 -4.911 13.649 -4.535 1.00 64.25 H new ATOM 2105 N SER A 125 -2.502 12.687 -4.069 1.00 52.33 N ATOM 2106 CA SER A 125 -1.142 12.541 -4.514 1.00 72.43 C ATOM 2107 C SER A 125 -0.455 13.882 -4.355 1.00 73.31 C ATOM 2108 O SER A 125 -0.654 14.804 -5.158 1.00 61.43 O ATOM 2109 CB SER A 125 -1.067 12.054 -5.977 1.00 50.44 C ATOM 2110 OG SER A 125 -1.663 10.760 -6.133 1.00 20.42 O ATOM 0 H SER A 125 -2.872 13.628 -4.203 1.00 52.33 H new ATOM 0 HA SER A 125 -0.641 11.783 -3.912 1.00 72.43 H new ATOM 0 HB2 SER A 125 -1.573 12.769 -6.626 1.00 50.44 H new ATOM 0 HB3 SER A 125 -0.025 12.016 -6.296 1.00 50.44 H new ATOM 0 HG SER A 125 -0.966 10.072 -6.099 1.00 20.42 H new ATOM 2116 N ASN A 126 0.288 14.018 -3.292 1.00 20.23 N ATOM 2117 CA ASN A 126 0.973 15.247 -2.995 1.00 14.21 C ATOM 2118 C ASN A 126 2.293 14.910 -2.369 1.00 51.22 C ATOM 2119 O ASN A 126 2.359 14.554 -1.198 1.00 44.43 O ATOM 2120 CB ASN A 126 0.120 16.127 -2.058 1.00 64.23 C ATOM 2121 CG ASN A 126 0.774 17.451 -1.710 1.00 42.44 C ATOM 2122 OD1 ASN A 126 1.561 18.002 -2.489 1.00 75.23 O ATOM 2123 ND2 ASN A 126 0.432 17.986 -0.559 1.00 4.44 N ATOM 0 H ASN A 126 0.436 13.279 -2.605 1.00 20.23 H new ATOM 0 HA ASN A 126 1.139 15.816 -3.910 1.00 14.21 H new ATOM 0 HB2 ASN A 126 -0.843 16.320 -2.531 1.00 64.23 H new ATOM 0 HB3 ASN A 126 -0.080 15.577 -1.139 1.00 64.23 H new ATOM 0 HD21 ASN A 126 0.819 18.888 -0.281 1.00 4.44 H new ATOM 0 HD22 ASN A 126 -0.221 17.499 0.056 1.00 4.44 H new ATOM 2130 N TRP A 127 3.330 14.970 -3.157 1.00 73.25 N ATOM 2131 CA TRP A 127 4.631 14.567 -2.718 1.00 14.21 C ATOM 2132 C TRP A 127 5.293 15.639 -1.863 1.00 3.24 C ATOM 2133 O TRP A 127 5.829 16.628 -2.377 1.00 74.13 O ATOM 2134 CB TRP A 127 5.501 14.158 -3.919 1.00 44.14 C ATOM 2135 CG TRP A 127 6.876 13.706 -3.549 1.00 64.34 C ATOM 2136 CD1 TRP A 127 7.206 12.572 -2.874 1.00 21.20 C ATOM 2137 CD2 TRP A 127 8.106 14.368 -3.855 1.00 35.12 C ATOM 2138 NE1 TRP A 127 8.562 12.501 -2.717 1.00 73.34 N ATOM 2139 CE2 TRP A 127 9.141 13.590 -3.318 1.00 4.50 C ATOM 2140 CE3 TRP A 127 8.429 15.549 -4.527 1.00 64.13 C ATOM 2141 CZ2 TRP A 127 10.480 13.952 -3.429 1.00 72.23 C ATOM 2142 CZ3 TRP A 127 9.755 15.905 -4.641 1.00 62.01 C ATOM 2143 CH2 TRP A 127 10.766 15.110 -4.095 1.00 53.00 C ATOM 0 H TRP A 127 3.294 15.300 -4.121 1.00 73.25 H new ATOM 0 HA TRP A 127 4.520 13.691 -2.078 1.00 14.21 H new ATOM 0 HB2 TRP A 127 5.000 13.356 -4.461 1.00 44.14 H new ATOM 0 HB3 TRP A 127 5.579 15.004 -4.602 1.00 44.14 H new ATOM 0 HD1 TRP A 127 6.501 11.837 -2.515 1.00 21.20 H new ATOM 0 HE1 TRP A 127 9.063 11.757 -2.231 1.00 73.34 H new ATOM 0 HE3 TRP A 127 7.654 16.171 -4.949 1.00 64.13 H new ATOM 0 HZ2 TRP A 127 11.263 13.341 -3.005 1.00 72.23 H new ATOM 0 HZ3 TRP A 127 10.018 16.814 -5.161 1.00 62.01 H new ATOM 0 HH2 TRP A 127 11.796 15.418 -4.202 1.00 53.00 H new ATOM 2154 N GLY A 128 5.198 15.460 -0.574 1.00 0.41 N ATOM 2155 CA GLY A 128 5.822 16.344 0.362 1.00 23.13 C ATOM 2156 C GLY A 128 4.913 16.595 1.526 1.00 1.21 C ATOM 2157 O GLY A 128 3.676 16.579 1.327 1.00 39.95 O ATOM 2158 OXT GLY A 128 5.403 16.794 2.657 1.00 39.95 O ATOM 0 H GLY A 128 4.682 14.692 -0.145 1.00 0.41 H new ATOM 0 HA2 GLY A 128 6.760 15.912 0.711 1.00 23.13 H new ATOM 0 HA3 GLY A 128 6.068 17.287 -0.126 1.00 23.13 H new TER 2162 GLY A 128