USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 830 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 109 TYR OH : rot 30:sc= -1.33! USER MOD Set 1.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 102 TYR OH : rot -140:sc= -5! USER MOD Set 2.2: A 106 GLN : amide:sc= -2.03! C(o=-7!,f=-7.6!) USER MOD Set 3.1: A 92 SER OG : rot 86:sc= 0.584 USER MOD Set 3.2: A 96 LYS NZ :NH3+ -174:sc= 0.532 (180deg=-0.0245) USER MOD Single : A 23 THR OG1 : rot -25:sc= 0.687 USER MOD Single : A 24 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.23) USER MOD Single : A 25 GLN :FLIP amide:sc=-0.00539 F(o=-0.56,f=-0.0054) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 174:sc= -1.33 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0232 K(o=-0.023,f=-2.3!) USER MOD Single : A 41 SER OG : rot 90:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 132:sc= 1.23 (180deg=0.657) USER MOD Single : A 48 CYS SG : rot -55:sc= -10.1! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= 0.357 (180deg=0.121) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -79:sc= 1.25 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= -3.95! (180deg=-4.98!) USER MOD Single : A 66 THR OG1 : rot -41:sc= 0.818 USER MOD Single : A 71 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.1!) USER MOD Single : A 72 CYS SG : rot 26:sc= -2.51! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0495) USER MOD Single : A 81 SER OG : rot 85:sc= 0.274 USER MOD Single : A 82 ASN :FLIP amide:sc= -2.5 F(o=-4.5!,f=-2.5) USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.689 F(o=-1.7!,f=-0.69) USER MOD Single : A 87 GLN :FLIP amide:sc= -5.36! C(o=-6.5!,f=-5.4!) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 115:sc= 0.479 USER MOD Single : A 101 LYS NZ :NH3+ 179:sc= 0.643 (180deg=0.643) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.064) USER MOD Single : A 108 SER OG : rot 81:sc= 0.601 USER MOD Single : A 110 ASN : amide:sc= -1.5 K(o=-1.5,f=-3!) USER MOD Single : A 111 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.5!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.212) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 23 -27.969 4.524 -2.720 1.00 0.00 N ATOM 2 CA THR A 23 -27.455 3.819 -3.923 1.00 0.00 C ATOM 3 C THR A 23 -25.961 4.063 -4.108 1.00 0.00 C ATOM 4 O THR A 23 -25.187 3.124 -4.300 1.00 0.00 O ATOM 5 CB THR A 23 -28.227 4.317 -5.146 1.00 0.00 C ATOM 6 OG1 THR A 23 -28.658 5.653 -4.957 1.00 0.00 O ATOM 7 CG2 THR A 23 -29.448 3.481 -5.463 1.00 0.00 C ATOM 0 HA THR A 23 -27.599 2.746 -3.799 1.00 0.00 H new ATOM 0 HB THR A 23 -27.529 4.242 -5.979 1.00 0.00 H new ATOM 0 HG1 THR A 23 -28.730 5.841 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 23 -29.950 3.888 -6.341 1.00 0.00 H new ATOM 0 HG22 THR A 23 -29.144 2.454 -5.663 1.00 0.00 H new ATOM 0 HG23 THR A 23 -30.131 3.498 -4.614 1.00 0.00 H new ATOM 17 N ASN A 24 -25.561 5.329 -4.047 1.00 0.00 N ATOM 18 CA ASN A 24 -24.158 5.696 -4.205 1.00 0.00 C ATOM 19 C ASN A 24 -23.328 5.238 -3.006 1.00 0.00 C ATOM 20 O ASN A 24 -22.098 5.249 -3.054 1.00 0.00 O ATOM 21 CB ASN A 24 -24.026 7.211 -4.386 1.00 0.00 C ATOM 22 CG ASN A 24 -23.539 7.587 -5.772 1.00 0.00 C ATOM 23 OD1 ASN A 24 -22.614 6.975 -6.306 1.00 0.00 O ATOM 24 ND2 ASN A 24 -24.162 8.600 -6.363 1.00 0.00 N ATOM 0 H ASN A 24 -26.188 6.118 -3.889 1.00 0.00 H new ATOM 0 HA ASN A 24 -23.776 5.193 -5.094 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.992 7.682 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.334 7.604 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -23.878 8.899 -7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.924 9.079 -5.884 1.00 0.00 H new ATOM 31 N GLN A 25 -24.005 4.837 -1.931 1.00 0.00 N ATOM 32 CA GLN A 25 -23.326 4.377 -0.724 1.00 0.00 C ATOM 33 C GLN A 25 -22.325 3.271 -1.044 1.00 0.00 C ATOM 34 O GLN A 25 -21.281 3.160 -0.401 1.00 0.00 O ATOM 35 CB GLN A 25 -24.348 3.875 0.298 1.00 0.00 C ATOM 36 CG GLN A 25 -24.743 4.920 1.328 1.00 0.00 C ATOM 37 CD GLN A 25 -23.688 5.108 2.401 1.00 0.00 C ATOM 38 OE1 GLN A 25 -22.721 5.979 2.133 1.00 0.00 O flip ATOM 39 NE2 GLN A 25 -23.740 4.479 3.457 1.00 0.00 N flip ATOM 0 H GLN A 25 -25.023 4.822 -1.873 1.00 0.00 H new ATOM 0 HA GLN A 25 -22.780 5.221 -0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -25.242 3.540 -0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -23.938 3.006 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -24.919 5.871 0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -25.683 4.627 1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -24.501 3.820 3.621 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -23.022 4.617 4.169 1.00 0.00 H new ATOM 48 N LYS A 26 -22.650 2.453 -2.040 1.00 0.00 N ATOM 49 CA LYS A 26 -21.776 1.357 -2.440 1.00 0.00 C ATOM 50 C LYS A 26 -20.410 1.882 -2.865 1.00 0.00 C ATOM 51 O LYS A 26 -19.375 1.374 -2.429 1.00 0.00 O ATOM 52 CB LYS A 26 -22.409 0.560 -3.582 1.00 0.00 C ATOM 53 CG LYS A 26 -23.543 -0.347 -3.136 1.00 0.00 C ATOM 54 CD LYS A 26 -23.070 -1.779 -2.945 1.00 0.00 C ATOM 55 CE LYS A 26 -24.087 -2.603 -2.173 1.00 0.00 C ATOM 56 NZ LYS A 26 -25.037 -3.305 -3.079 1.00 0.00 N ATOM 0 H LYS A 26 -23.510 2.528 -2.583 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.642 0.699 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -22.785 1.254 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -21.639 -0.044 -4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.963 0.026 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.342 -0.323 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.892 -2.237 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.119 -1.781 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -23.567 -3.335 -1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.643 -1.953 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.714 -3.856 -2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -25.552 -2.606 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.510 -3.945 -3.707 1.00 0.00 H new ATOM 70 N THR A 27 -20.409 2.911 -3.704 1.00 0.00 N ATOM 71 CA THR A 27 -19.170 3.502 -4.165 1.00 0.00 C ATOM 72 C THR A 27 -18.489 4.236 -3.012 1.00 0.00 C ATOM 73 O THR A 27 -17.265 4.349 -2.971 1.00 0.00 O ATOM 74 CB THR A 27 -19.449 4.442 -5.343 1.00 0.00 C ATOM 75 OG1 THR A 27 -19.101 3.824 -6.569 1.00 0.00 O ATOM 76 CG2 THR A 27 -18.701 5.749 -5.267 1.00 0.00 C ATOM 0 H THR A 27 -21.252 3.349 -4.075 1.00 0.00 H new ATOM 0 HA THR A 27 -18.495 2.720 -4.513 1.00 0.00 H new ATOM 0 HB THR A 27 -20.517 4.653 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 27 -19.375 4.398 -7.314 1.00 0.00 H new ATOM 0 HG21 THR A 27 -18.949 6.361 -6.134 1.00 0.00 H new ATOM 0 HG22 THR A 27 -18.984 6.278 -4.357 1.00 0.00 H new ATOM 0 HG23 THR A 27 -17.629 5.554 -5.255 1.00 0.00 H new ATOM 84 N LYS A 28 -19.292 4.715 -2.065 1.00 0.00 N ATOM 85 CA LYS A 28 -18.761 5.411 -0.903 1.00 0.00 C ATOM 86 C LYS A 28 -17.904 4.453 -0.087 1.00 0.00 C ATOM 87 O LYS A 28 -16.851 4.826 0.431 1.00 0.00 O ATOM 88 CB LYS A 28 -19.897 5.969 -0.043 1.00 0.00 C ATOM 89 CG LYS A 28 -19.419 6.676 1.215 1.00 0.00 C ATOM 90 CD LYS A 28 -18.729 7.990 0.889 1.00 0.00 C ATOM 91 CE LYS A 28 -19.668 8.954 0.180 1.00 0.00 C ATOM 92 NZ LYS A 28 -19.586 10.329 0.747 1.00 0.00 N ATOM 0 H LYS A 28 -20.309 4.633 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 28 -18.148 6.247 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -20.484 6.666 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -20.562 5.153 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -20.268 6.863 1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.731 6.028 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.363 8.447 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.860 7.799 0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.423 8.984 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.692 8.589 0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.241 10.955 0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.844 10.305 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.615 10.688 0.647 1.00 0.00 H new ATOM 106 N GLU A 29 -18.358 3.205 0.000 1.00 0.00 N ATOM 107 CA GLU A 29 -17.628 2.179 0.728 1.00 0.00 C ATOM 108 C GLU A 29 -16.273 1.949 0.075 1.00 0.00 C ATOM 109 O GLU A 29 -15.270 1.730 0.753 1.00 0.00 O ATOM 110 CB GLU A 29 -18.426 0.874 0.754 1.00 0.00 C ATOM 111 CG GLU A 29 -19.308 0.723 1.982 1.00 0.00 C ATOM 112 CD GLU A 29 -20.124 -0.555 1.960 1.00 0.00 C ATOM 113 OE1 GLU A 29 -19.521 -1.641 1.833 1.00 0.00 O ATOM 114 OE2 GLU A 29 -21.365 -0.469 2.070 1.00 0.00 O ATOM 0 H GLU A 29 -19.227 2.883 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.478 2.515 1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -19.049 0.821 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.733 0.034 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.685 0.737 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.981 1.578 2.049 1.00 0.00 H new ATOM 121 N LEU A 30 -16.254 2.015 -1.254 1.00 0.00 N ATOM 122 CA LEU A 30 -15.023 1.830 -2.011 1.00 0.00 C ATOM 123 C LEU A 30 -13.986 2.865 -1.593 1.00 0.00 C ATOM 124 O LEU A 30 -12.859 2.521 -1.237 1.00 0.00 O ATOM 125 CB LEU A 30 -15.308 1.935 -3.512 1.00 0.00 C ATOM 126 CG LEU A 30 -14.093 2.227 -4.394 1.00 0.00 C ATOM 127 CD1 LEU A 30 -13.093 1.085 -4.317 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.526 2.467 -5.832 1.00 0.00 C ATOM 0 H LEU A 30 -17.078 2.195 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.625 0.837 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.760 1.001 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.047 2.721 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.608 3.131 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.235 1.309 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.761 0.961 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.565 0.164 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.650 2.673 -6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.035 1.581 -6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.205 3.319 -5.870 1.00 0.00 H new ATOM 140 N SER A 31 -14.382 4.134 -1.622 1.00 0.00 N ATOM 141 CA SER A 31 -13.491 5.219 -1.228 1.00 0.00 C ATOM 142 C SER A 31 -12.955 4.971 0.179 1.00 0.00 C ATOM 143 O SER A 31 -11.882 5.451 0.538 1.00 0.00 O ATOM 144 CB SER A 31 -14.224 6.560 -1.282 1.00 0.00 C ATOM 145 OG SER A 31 -13.309 7.643 -1.279 1.00 0.00 O ATOM 0 H SER A 31 -15.312 4.435 -1.914 1.00 0.00 H new ATOM 0 HA SER A 31 -12.654 5.253 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.842 6.604 -2.179 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.896 6.645 -0.428 1.00 0.00 H new ATOM 0 HG SER A 31 -13.803 8.489 -1.316 1.00 0.00 H new ATOM 151 N ASN A 32 -13.706 4.201 0.967 1.00 0.00 N ATOM 152 CA ASN A 32 -13.294 3.871 2.324 1.00 0.00 C ATOM 153 C ASN A 32 -12.088 2.943 2.278 1.00 0.00 C ATOM 154 O ASN A 32 -11.145 3.088 3.056 1.00 0.00 O ATOM 155 CB ASN A 32 -14.444 3.214 3.091 1.00 0.00 C ATOM 156 CG ASN A 32 -14.799 3.968 4.358 1.00 0.00 C ATOM 157 OD1 ASN A 32 -14.078 3.907 5.353 1.00 0.00 O ATOM 158 ND2 ASN A 32 -15.917 4.685 4.327 1.00 0.00 N ATOM 0 H ASN A 32 -14.600 3.797 0.686 1.00 0.00 H new ATOM 0 HA ASN A 32 -13.020 4.789 2.845 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.322 3.158 2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.169 2.190 3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.207 5.213 5.150 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.485 4.707 3.480 1.00 0.00 H new ATOM 165 N LEU A 33 -12.117 2.003 1.336 1.00 0.00 N ATOM 166 CA LEU A 33 -11.016 1.068 1.160 1.00 0.00 C ATOM 167 C LEU A 33 -9.839 1.803 0.540 1.00 0.00 C ATOM 168 O LEU A 33 -8.697 1.664 0.976 1.00 0.00 O ATOM 169 CB LEU A 33 -11.435 -0.103 0.267 1.00 0.00 C ATOM 170 CG LEU A 33 -12.888 -0.557 0.422 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.298 -1.432 -0.750 1.00 0.00 C ATOM 172 CD2 LEU A 33 -13.079 -1.295 1.738 1.00 0.00 C ATOM 0 H LEU A 33 -12.891 1.871 0.685 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.730 0.665 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.268 0.177 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.783 -0.950 0.477 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.528 0.326 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.334 -1.746 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.200 -0.868 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.654 -2.311 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.118 -1.610 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.431 -2.171 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.825 -0.633 2.566 1.00 0.00 H new ATOM 184 N ILE A 34 -10.142 2.610 -0.469 1.00 0.00 N ATOM 185 CA ILE A 34 -9.131 3.404 -1.146 1.00 0.00 C ATOM 186 C ILE A 34 -8.524 4.405 -0.172 1.00 0.00 C ATOM 187 O ILE A 34 -7.308 4.591 -0.133 1.00 0.00 O ATOM 188 CB ILE A 34 -9.740 4.155 -2.349 1.00 0.00 C ATOM 189 CG1 ILE A 34 -10.050 3.176 -3.479 1.00 0.00 C ATOM 190 CG2 ILE A 34 -8.814 5.261 -2.838 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.806 3.800 -4.629 1.00 0.00 C ATOM 0 H ILE A 34 -11.086 2.730 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.354 2.733 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.669 4.622 -2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.115 2.758 -3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.633 2.346 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.272 5.771 -3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.645 5.976 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.862 4.829 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.991 3.046 -5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.757 4.193 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.216 4.612 -5.055 1.00 0.00 H new ATOM 203 N GLU A 35 -9.382 5.043 0.618 1.00 0.00 N ATOM 204 CA GLU A 35 -8.930 6.020 1.597 1.00 0.00 C ATOM 205 C GLU A 35 -7.880 5.399 2.508 1.00 0.00 C ATOM 206 O GLU A 35 -6.937 6.066 2.937 1.00 0.00 O ATOM 207 CB GLU A 35 -10.108 6.534 2.427 1.00 0.00 C ATOM 208 CG GLU A 35 -10.798 7.744 1.819 1.00 0.00 C ATOM 209 CD GLU A 35 -10.259 9.054 2.359 1.00 0.00 C ATOM 210 OE1 GLU A 35 -9.103 9.399 2.034 1.00 0.00 O ATOM 211 OE2 GLU A 35 -10.992 9.735 3.107 1.00 0.00 O ATOM 0 H GLU A 35 -10.392 4.900 0.598 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.487 6.863 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.836 5.732 2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.754 6.792 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.674 7.723 0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.868 7.686 2.018 1.00 0.00 H new ATOM 218 N THR A 36 -8.035 4.106 2.775 1.00 0.00 N ATOM 219 CA THR A 36 -7.086 3.388 3.607 1.00 0.00 C ATOM 220 C THR A 36 -5.856 3.055 2.777 1.00 0.00 C ATOM 221 O THR A 36 -4.725 3.180 3.241 1.00 0.00 O ATOM 222 CB THR A 36 -7.729 2.119 4.190 1.00 0.00 C ATOM 223 OG1 THR A 36 -7.472 2.024 5.579 1.00 0.00 O ATOM 224 CG2 THR A 36 -7.251 0.831 3.551 1.00 0.00 C ATOM 0 H THR A 36 -8.808 3.539 2.427 1.00 0.00 H new ATOM 0 HA THR A 36 -6.787 4.013 4.448 1.00 0.00 H new ATOM 0 HB THR A 36 -8.793 2.226 3.980 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.890 1.212 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.753 -0.016 4.019 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.482 0.846 2.486 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.174 0.735 3.687 1.00 0.00 H new ATOM 232 N PHE A 37 -6.094 2.659 1.529 1.00 0.00 N ATOM 233 CA PHE A 37 -5.009 2.337 0.617 1.00 0.00 C ATOM 234 C PHE A 37 -4.126 3.559 0.429 1.00 0.00 C ATOM 235 O PHE A 37 -2.903 3.456 0.396 1.00 0.00 O ATOM 236 CB PHE A 37 -5.558 1.875 -0.733 1.00 0.00 C ATOM 237 CG PHE A 37 -4.569 1.102 -1.565 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.538 0.373 -0.978 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.668 1.115 -2.944 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.633 -0.320 -1.758 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.766 0.422 -3.726 1.00 0.00 C ATOM 242 CZ PHE A 37 -2.747 -0.296 -3.132 1.00 0.00 C ATOM 0 H PHE A 37 -7.027 2.555 1.131 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.420 1.525 1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.437 1.254 -0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.888 2.747 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.445 0.349 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.462 1.675 -3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.836 -0.881 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.857 0.441 -4.802 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.040 -0.838 -3.743 1.00 0.00 H new ATOM 252 N ALA A 38 -4.762 4.723 0.330 1.00 0.00 N ATOM 253 CA ALA A 38 -4.036 5.974 0.176 1.00 0.00 C ATOM 254 C ALA A 38 -3.121 6.184 1.374 1.00 0.00 C ATOM 255 O ALA A 38 -1.988 6.643 1.235 1.00 0.00 O ATOM 256 CB ALA A 38 -5.003 7.139 0.027 1.00 0.00 C ATOM 0 H ALA A 38 -5.777 4.823 0.354 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.429 5.924 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.441 8.066 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.628 6.983 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.634 7.204 0.914 1.00 0.00 H new ATOM 262 N GLU A 39 -3.619 5.815 2.552 1.00 0.00 N ATOM 263 CA GLU A 39 -2.844 5.931 3.779 1.00 0.00 C ATOM 264 C GLU A 39 -1.765 4.853 3.793 1.00 0.00 C ATOM 265 O GLU A 39 -0.601 5.123 4.087 1.00 0.00 O ATOM 266 CB GLU A 39 -3.770 5.814 5.003 1.00 0.00 C ATOM 267 CG GLU A 39 -3.237 4.930 6.124 1.00 0.00 C ATOM 268 CD GLU A 39 -3.874 5.241 7.464 1.00 0.00 C ATOM 269 OE1 GLU A 39 -5.091 4.998 7.613 1.00 0.00 O ATOM 270 OE2 GLU A 39 -3.158 5.727 8.364 1.00 0.00 O ATOM 0 H GLU A 39 -4.556 5.433 2.680 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.361 6.907 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.951 6.812 5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.733 5.422 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.417 3.884 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.157 5.058 6.201 1.00 0.00 H new ATOM 277 N GLN A 40 -2.166 3.632 3.450 1.00 0.00 N ATOM 278 CA GLN A 40 -1.247 2.508 3.395 1.00 0.00 C ATOM 279 C GLN A 40 -0.162 2.776 2.358 1.00 0.00 C ATOM 280 O GLN A 40 1.000 2.416 2.548 1.00 0.00 O ATOM 281 CB GLN A 40 -2.001 1.224 3.043 1.00 0.00 C ATOM 282 CG GLN A 40 -3.087 0.862 4.042 1.00 0.00 C ATOM 283 CD GLN A 40 -2.542 0.140 5.256 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.356 0.238 5.572 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.408 -0.590 5.945 1.00 0.00 N ATOM 0 H GLN A 40 -3.128 3.399 3.205 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.783 2.384 4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.450 1.335 2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.289 0.401 2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.598 1.770 4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.831 0.233 3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.382 -0.643 5.647 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.100 -1.099 6.774 1.00 0.00 H new ATOM 294 N SER A 41 -0.554 3.426 1.263 1.00 0.00 N ATOM 295 CA SER A 41 0.377 3.763 0.195 1.00 0.00 C ATOM 296 C SER A 41 1.480 4.659 0.736 1.00 0.00 C ATOM 297 O SER A 41 2.665 4.383 0.555 1.00 0.00 O ATOM 298 CB SER A 41 -0.357 4.460 -0.954 1.00 0.00 C ATOM 299 OG SER A 41 -0.457 3.611 -2.084 1.00 0.00 O ATOM 0 H SER A 41 -1.513 3.729 1.095 1.00 0.00 H new ATOM 0 HA SER A 41 0.821 2.844 -0.188 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.354 4.755 -0.627 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.172 5.373 -1.227 1.00 0.00 H new ATOM 0 HG SER A 41 -1.284 3.088 -2.028 1.00 0.00 H new ATOM 305 N ARG A 42 1.080 5.720 1.429 1.00 0.00 N ATOM 306 CA ARG A 42 2.041 6.636 2.026 1.00 0.00 C ATOM 307 C ARG A 42 2.810 5.905 3.113 1.00 0.00 C ATOM 308 O ARG A 42 3.980 6.182 3.361 1.00 0.00 O ATOM 309 CB ARG A 42 1.349 7.868 2.623 1.00 0.00 C ATOM 310 CG ARG A 42 0.079 8.286 1.897 1.00 0.00 C ATOM 311 CD ARG A 42 0.108 9.758 1.513 1.00 0.00 C ATOM 312 NE ARG A 42 0.668 10.594 2.573 1.00 0.00 N ATOM 313 CZ ARG A 42 1.218 11.789 2.365 1.00 0.00 C ATOM 314 NH1 ARG A 42 1.275 12.299 1.140 1.00 0.00 N ATOM 315 NH2 ARG A 42 1.709 12.479 3.385 1.00 0.00 N ATOM 0 H ARG A 42 0.103 5.965 1.590 1.00 0.00 H new ATOM 0 HA ARG A 42 2.720 6.981 1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.107 7.664 3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.050 8.703 2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.044 7.679 1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.784 8.093 2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.697 9.883 0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.904 10.092 1.285 1.00 0.00 H new ATOM 0 HE ARG A 42 0.636 10.241 3.529 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.896 11.775 0.351 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.698 13.215 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.666 12.095 4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.130 13.394 3.226 1.00 0.00 H new ATOM 329 N VAL A 43 2.137 4.953 3.748 1.00 0.00 N ATOM 330 CA VAL A 43 2.748 4.159 4.796 1.00 0.00 C ATOM 331 C VAL A 43 3.884 3.324 4.222 1.00 0.00 C ATOM 332 O VAL A 43 5.003 3.351 4.726 1.00 0.00 O ATOM 333 CB VAL A 43 1.708 3.246 5.477 1.00 0.00 C ATOM 334 CG1 VAL A 43 2.352 1.988 6.039 1.00 0.00 C ATOM 335 CG2 VAL A 43 0.987 4.007 6.573 1.00 0.00 C ATOM 0 H VAL A 43 1.165 4.715 3.551 1.00 0.00 H new ATOM 0 HA VAL A 43 3.148 4.837 5.550 1.00 0.00 H new ATOM 0 HB VAL A 43 0.986 2.937 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.589 1.369 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.824 1.429 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.105 2.263 6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.255 3.354 7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.709 4.345 7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.479 4.870 6.143 1.00 0.00 H new ATOM 345 N LEU A 44 3.600 2.592 3.150 1.00 0.00 N ATOM 346 CA LEU A 44 4.623 1.775 2.517 1.00 0.00 C ATOM 347 C LEU A 44 5.845 2.635 2.231 1.00 0.00 C ATOM 348 O LEU A 44 6.961 2.274 2.581 1.00 0.00 O ATOM 349 CB LEU A 44 4.091 1.139 1.222 1.00 0.00 C ATOM 350 CG LEU A 44 4.353 -0.369 1.038 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.633 -0.609 0.251 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.413 -1.097 2.374 1.00 0.00 C ATOM 0 H LEU A 44 2.682 2.549 2.708 1.00 0.00 H new ATOM 0 HA LEU A 44 4.902 0.966 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.015 1.306 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.531 1.667 0.376 1.00 0.00 H new ATOM 0 HG LEU A 44 3.514 -0.773 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.794 -1.681 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.547 -0.147 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.476 -0.171 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.599 -2.157 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.218 -0.680 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.465 -0.975 2.898 1.00 0.00 H new ATOM 364 N GLU A 45 5.620 3.797 1.627 1.00 0.00 N ATOM 365 CA GLU A 45 6.710 4.712 1.331 1.00 0.00 C ATOM 366 C GLU A 45 7.343 5.203 2.632 1.00 0.00 C ATOM 367 O GLU A 45 8.548 5.443 2.695 1.00 0.00 O ATOM 368 CB GLU A 45 6.210 5.888 0.478 1.00 0.00 C ATOM 369 CG GLU A 45 5.904 7.151 1.266 1.00 0.00 C ATOM 370 CD GLU A 45 4.880 8.035 0.581 1.00 0.00 C ATOM 371 OE1 GLU A 45 4.189 7.543 -0.336 1.00 0.00 O ATOM 372 OE2 GLU A 45 4.769 9.219 0.962 1.00 0.00 O ATOM 0 H GLU A 45 4.699 4.124 1.336 1.00 0.00 H new ATOM 0 HA GLU A 45 7.471 4.185 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.962 6.119 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.310 5.579 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.538 6.877 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.825 7.715 1.412 1.00 0.00 H new ATOM 379 N LYS A 46 6.521 5.333 3.673 1.00 0.00 N ATOM 380 CA LYS A 46 7.006 5.778 4.975 1.00 0.00 C ATOM 381 C LYS A 46 7.915 4.712 5.581 1.00 0.00 C ATOM 382 O LYS A 46 9.053 4.990 5.962 1.00 0.00 O ATOM 383 CB LYS A 46 5.825 6.110 5.911 1.00 0.00 C ATOM 384 CG LYS A 46 5.531 5.065 6.985 1.00 0.00 C ATOM 385 CD LYS A 46 4.393 5.498 7.893 1.00 0.00 C ATOM 386 CE LYS A 46 3.996 4.385 8.850 1.00 0.00 C ATOM 387 NZ LYS A 46 4.776 4.437 10.117 1.00 0.00 N ATOM 0 H LYS A 46 5.521 5.137 3.639 1.00 0.00 H new ATOM 0 HA LYS A 46 7.588 6.691 4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.027 7.063 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.929 6.246 5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.278 4.117 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.427 4.894 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.693 6.379 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.532 5.786 7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.932 4.462 9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.150 3.420 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.129 4.356 10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.457 3.651 10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.288 5.340 10.173 1.00 0.00 H new ATOM 401 N GLU A 47 7.416 3.484 5.645 1.00 0.00 N ATOM 402 CA GLU A 47 8.198 2.385 6.179 1.00 0.00 C ATOM 403 C GLU A 47 9.345 2.061 5.237 1.00 0.00 C ATOM 404 O GLU A 47 10.428 1.680 5.670 1.00 0.00 O ATOM 405 CB GLU A 47 7.322 1.148 6.381 1.00 0.00 C ATOM 406 CG GLU A 47 6.396 1.237 7.584 1.00 0.00 C ATOM 407 CD GLU A 47 7.087 1.770 8.825 1.00 0.00 C ATOM 408 OE1 GLU A 47 7.958 1.059 9.371 1.00 0.00 O ATOM 409 OE2 GLU A 47 6.757 2.896 9.251 1.00 0.00 O ATOM 0 H GLU A 47 6.478 3.228 5.335 1.00 0.00 H new ATOM 0 HA GLU A 47 8.601 2.684 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.722 0.989 5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.964 0.275 6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.552 1.882 7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.990 0.248 7.797 1.00 0.00 H new ATOM 416 N CYS A 48 9.095 2.227 3.943 1.00 0.00 N ATOM 417 CA CYS A 48 10.101 1.960 2.926 1.00 0.00 C ATOM 418 C CYS A 48 11.200 3.015 2.959 1.00 0.00 C ATOM 419 O CYS A 48 12.365 2.713 2.701 1.00 0.00 O ATOM 420 CB CYS A 48 9.456 1.921 1.540 1.00 0.00 C ATOM 421 SG CYS A 48 8.418 0.470 1.252 1.00 0.00 S ATOM 0 H CYS A 48 8.199 2.547 3.574 1.00 0.00 H new ATOM 0 HA CYS A 48 10.548 0.989 3.138 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.853 2.819 1.406 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.241 1.949 0.784 1.00 0.00 H new ATOM 0 HG CYS A 48 9.109 -0.609 1.474 1.00 0.00 H new ATOM 427 N THR A 49 10.830 4.254 3.277 1.00 0.00 N ATOM 428 CA THR A 49 11.809 5.331 3.336 1.00 0.00 C ATOM 429 C THR A 49 12.814 5.075 4.452 1.00 0.00 C ATOM 430 O THR A 49 13.978 5.464 4.350 1.00 0.00 O ATOM 431 CB THR A 49 11.126 6.693 3.521 1.00 0.00 C ATOM 432 OG1 THR A 49 12.029 7.745 3.231 1.00 0.00 O ATOM 433 CG2 THR A 49 10.586 6.933 4.917 1.00 0.00 C ATOM 0 H THR A 49 9.873 4.532 3.494 1.00 0.00 H new ATOM 0 HA THR A 49 12.344 5.354 2.386 1.00 0.00 H new ATOM 0 HB THR A 49 10.283 6.677 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.578 8.606 3.352 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.120 7.917 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.846 6.169 5.157 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.403 6.885 5.636 1.00 0.00 H new ATOM 441 N LYS A 50 12.365 4.414 5.518 1.00 0.00 N ATOM 442 CA LYS A 50 13.244 4.112 6.639 1.00 0.00 C ATOM 443 C LYS A 50 14.038 2.826 6.389 1.00 0.00 C ATOM 444 O LYS A 50 15.082 2.609 7.005 1.00 0.00 O ATOM 445 CB LYS A 50 12.440 4.017 7.941 1.00 0.00 C ATOM 446 CG LYS A 50 11.866 2.638 8.226 1.00 0.00 C ATOM 447 CD LYS A 50 10.487 2.735 8.854 1.00 0.00 C ATOM 448 CE LYS A 50 10.563 3.254 10.279 1.00 0.00 C ATOM 449 NZ LYS A 50 9.224 3.290 10.931 1.00 0.00 N ATOM 0 H LYS A 50 11.407 4.081 5.626 1.00 0.00 H new ATOM 0 HA LYS A 50 13.960 4.928 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.082 4.309 8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.622 4.737 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.807 2.067 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.535 2.094 8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.859 3.397 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.013 1.754 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.233 2.620 10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.993 4.256 10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.193 4.071 11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.490 3.434 10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.053 2.390 11.423 1.00 0.00 H new ATOM 463 N ILE A 51 13.551 1.979 5.478 1.00 0.00 N ATOM 464 CA ILE A 51 14.239 0.729 5.157 1.00 0.00 C ATOM 465 C ILE A 51 15.704 0.997 4.833 1.00 0.00 C ATOM 466 O ILE A 51 16.023 1.853 4.008 1.00 0.00 O ATOM 467 CB ILE A 51 13.572 -0.004 3.966 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.177 -0.497 4.368 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.439 -1.166 3.473 1.00 0.00 C ATOM 470 CD1 ILE A 51 12.193 -1.690 5.297 1.00 0.00 C ATOM 0 H ILE A 51 12.690 2.135 4.954 1.00 0.00 H new ATOM 0 HA ILE A 51 14.170 0.087 6.035 1.00 0.00 H new ATOM 0 HB ILE A 51 13.471 0.702 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.639 0.319 4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.621 -0.758 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.944 -1.660 2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.407 -0.785 3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.584 -1.881 4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.169 -1.979 5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.702 -2.523 4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.720 -1.429 6.215 1.00 0.00 H new ATOM 482 N GLY A 52 16.589 0.262 5.492 1.00 0.00 N ATOM 483 CA GLY A 52 18.009 0.438 5.265 1.00 0.00 C ATOM 484 C GLY A 52 18.470 1.854 5.549 1.00 0.00 C ATOM 485 O GLY A 52 19.476 2.307 5.002 1.00 0.00 O ATOM 0 H GLY A 52 16.349 -0.452 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.564 -0.255 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.243 0.183 4.231 1.00 0.00 H new ATOM 489 N SER A 53 17.731 2.559 6.402 1.00 0.00 N ATOM 490 CA SER A 53 18.074 3.934 6.747 1.00 0.00 C ATOM 491 C SER A 53 18.097 4.136 8.260 1.00 0.00 C ATOM 492 O SER A 53 17.254 4.842 8.815 1.00 0.00 O ATOM 493 CB SER A 53 17.080 4.904 6.105 1.00 0.00 C ATOM 494 OG SER A 53 17.715 6.114 5.731 1.00 0.00 O ATOM 0 H SER A 53 16.895 2.202 6.865 1.00 0.00 H new ATOM 0 HA SER A 53 19.073 4.137 6.362 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.630 4.440 5.227 1.00 0.00 H new ATOM 0 HB3 SER A 53 16.271 5.116 6.804 1.00 0.00 H new ATOM 0 HG SER A 53 17.058 6.715 5.322 1.00 0.00 H new ATOM 500 N LYS A 54 19.071 3.516 8.922 1.00 0.00 N ATOM 501 CA LYS A 54 19.212 3.629 10.372 1.00 0.00 C ATOM 502 C LYS A 54 18.060 2.933 11.094 1.00 0.00 C ATOM 503 O LYS A 54 18.264 1.941 11.795 1.00 0.00 O ATOM 504 CB LYS A 54 19.279 5.103 10.788 1.00 0.00 C ATOM 505 CG LYS A 54 20.631 5.515 11.348 1.00 0.00 C ATOM 506 CD LYS A 54 21.627 5.820 10.239 1.00 0.00 C ATOM 507 CE LYS A 54 22.018 7.290 10.224 1.00 0.00 C ATOM 508 NZ LYS A 54 21.325 8.039 9.140 1.00 0.00 N ATOM 0 H LYS A 54 19.776 2.929 8.476 1.00 0.00 H new ATOM 0 HA LYS A 54 20.141 3.136 10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 54 19.047 5.727 9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 54 18.511 5.296 11.537 1.00 0.00 H new ATOM 0 HG2 LYS A 54 20.511 6.394 11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 54 21.022 4.718 11.980 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.519 5.207 10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.194 5.548 9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 54 21.777 7.739 11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.097 7.377 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.619 9.036 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.575 7.627 8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 20.296 7.978 9.279 1.00 0.00 H new ATOM 522 N ARG A 55 16.853 3.459 10.918 1.00 0.00 N ATOM 523 CA ARG A 55 15.667 2.891 11.552 1.00 0.00 C ATOM 524 C ARG A 55 15.450 1.439 11.128 1.00 0.00 C ATOM 525 O ARG A 55 14.706 0.704 11.778 1.00 0.00 O ATOM 526 CB ARG A 55 14.434 3.724 11.202 1.00 0.00 C ATOM 527 CG ARG A 55 14.550 5.184 11.609 1.00 0.00 C ATOM 528 CD ARG A 55 13.732 6.083 10.696 1.00 0.00 C ATOM 529 NE ARG A 55 14.018 7.498 10.920 1.00 0.00 N ATOM 530 CZ ARG A 55 13.239 8.489 10.492 1.00 0.00 C ATOM 531 NH1 ARG A 55 12.127 8.223 9.818 1.00 0.00 N ATOM 532 NH2 ARG A 55 13.573 9.748 10.738 1.00 0.00 N ATOM 0 H ARG A 55 16.669 4.279 10.341 1.00 0.00 H new ATOM 0 HA ARG A 55 15.823 2.910 12.631 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.261 3.668 10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.561 3.288 11.688 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.211 5.304 12.638 1.00 0.00 H new ATOM 0 HG3 ARG A 55 15.596 5.489 11.580 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.942 5.831 9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.671 5.897 10.861 1.00 0.00 H new ATOM 0 HE ARG A 55 14.864 7.741 11.435 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.866 7.256 9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.533 8.986 9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.427 9.957 11.255 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.976 10.507 10.410 1.00 0.00 H new ATOM 546 N ASP A 56 16.099 1.033 10.035 1.00 0.00 N ATOM 547 CA ASP A 56 15.980 -0.332 9.519 1.00 0.00 C ATOM 548 C ASP A 56 15.951 -1.360 10.650 1.00 0.00 C ATOM 549 O ASP A 56 16.900 -1.470 11.426 1.00 0.00 O ATOM 550 CB ASP A 56 17.144 -0.635 8.575 1.00 0.00 C ATOM 551 CG ASP A 56 18.487 -0.579 9.276 1.00 0.00 C ATOM 552 OD1 ASP A 56 18.868 -1.584 9.912 1.00 0.00 O ATOM 553 OD2 ASP A 56 19.159 0.471 9.190 1.00 0.00 O ATOM 0 H ASP A 56 16.715 1.634 9.488 1.00 0.00 H new ATOM 0 HA ASP A 56 15.038 -0.403 8.976 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.006 -1.624 8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.137 0.080 7.752 1.00 0.00 H new ATOM 558 N SER A 57 14.856 -2.109 10.735 1.00 0.00 N ATOM 559 CA SER A 57 14.705 -3.126 11.770 1.00 0.00 C ATOM 560 C SER A 57 13.863 -4.294 11.267 1.00 0.00 C ATOM 561 O SER A 57 12.910 -4.106 10.513 1.00 0.00 O ATOM 562 CB SER A 57 14.063 -2.520 13.020 1.00 0.00 C ATOM 563 OG SER A 57 13.307 -1.366 12.698 1.00 0.00 O ATOM 0 H SER A 57 14.061 -2.031 10.101 1.00 0.00 H new ATOM 0 HA SER A 57 15.697 -3.500 12.024 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.419 -3.259 13.496 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.838 -2.261 13.741 1.00 0.00 H new ATOM 0 HG SER A 57 13.909 -0.601 12.588 1.00 0.00 H new ATOM 569 N LYS A 58 14.222 -5.502 11.691 1.00 0.00 N ATOM 570 CA LYS A 58 13.501 -6.705 11.284 1.00 0.00 C ATOM 571 C LYS A 58 12.005 -6.549 11.509 1.00 0.00 C ATOM 572 O LYS A 58 11.194 -6.957 10.680 1.00 0.00 O ATOM 573 CB LYS A 58 14.014 -7.915 12.061 1.00 0.00 C ATOM 574 CG LYS A 58 15.502 -8.165 11.887 1.00 0.00 C ATOM 575 CD LYS A 58 16.080 -8.932 13.066 1.00 0.00 C ATOM 576 CE LYS A 58 17.143 -9.925 12.622 1.00 0.00 C ATOM 577 NZ LYS A 58 16.842 -11.306 13.089 1.00 0.00 N ATOM 0 H LYS A 58 15.009 -5.675 12.317 1.00 0.00 H new ATOM 0 HA LYS A 58 13.676 -6.857 10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.800 -7.773 13.120 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.466 -8.801 11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.673 -8.726 10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.022 -7.213 11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.512 -8.231 13.780 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.280 -9.462 13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.215 -9.917 11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.114 -9.615 13.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.590 -11.952 12.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.798 -11.319 14.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.928 -11.612 12.700 1.00 0.00 H new ATOM 591 N GLU A 59 11.648 -5.956 12.636 1.00 0.00 N ATOM 592 CA GLU A 59 10.245 -5.746 12.967 1.00 0.00 C ATOM 593 C GLU A 59 9.570 -4.878 11.912 1.00 0.00 C ATOM 594 O GLU A 59 8.378 -5.024 11.644 1.00 0.00 O ATOM 595 CB GLU A 59 10.109 -5.103 14.350 1.00 0.00 C ATOM 596 CG GLU A 59 9.562 -6.049 15.409 1.00 0.00 C ATOM 597 CD GLU A 59 8.319 -5.508 16.089 1.00 0.00 C ATOM 598 OE1 GLU A 59 8.287 -4.297 16.392 1.00 0.00 O ATOM 599 OE2 GLU A 59 7.379 -6.297 16.321 1.00 0.00 O ATOM 0 H GLU A 59 12.306 -5.612 13.336 1.00 0.00 H new ATOM 0 HA GLU A 59 9.750 -6.717 12.986 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.085 -4.738 14.670 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.453 -4.236 14.276 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.331 -7.009 14.948 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.331 -6.232 16.159 1.00 0.00 H new ATOM 606 N LEU A 60 10.343 -3.985 11.304 1.00 0.00 N ATOM 607 CA LEU A 60 9.816 -3.111 10.268 1.00 0.00 C ATOM 608 C LEU A 60 9.524 -3.916 9.005 1.00 0.00 C ATOM 609 O LEU A 60 8.384 -3.965 8.544 1.00 0.00 O ATOM 610 CB LEU A 60 10.801 -1.966 9.979 1.00 0.00 C ATOM 611 CG LEU A 60 10.946 -1.558 8.508 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.587 -1.233 7.904 1.00 0.00 C ATOM 613 CD2 LEU A 60 11.885 -0.369 8.378 1.00 0.00 C ATOM 0 H LEU A 60 11.332 -3.849 11.511 1.00 0.00 H new ATOM 0 HA LEU A 60 8.883 -2.669 10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.487 -1.091 10.549 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.783 -2.255 10.354 1.00 0.00 H new ATOM 0 HG LEU A 60 11.372 -2.398 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.712 -0.946 6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.943 -2.110 7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.132 -0.410 8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.977 -0.092 7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.485 0.474 8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.866 -0.636 8.771 1.00 0.00 H new ATOM 625 N ARG A 61 10.553 -4.554 8.449 1.00 0.00 N ATOM 626 CA ARG A 61 10.372 -5.356 7.244 1.00 0.00 C ATOM 627 C ARG A 61 9.318 -6.430 7.483 1.00 0.00 C ATOM 628 O ARG A 61 8.568 -6.786 6.574 1.00 0.00 O ATOM 629 CB ARG A 61 11.689 -5.991 6.785 1.00 0.00 C ATOM 630 CG ARG A 61 12.612 -6.394 7.920 1.00 0.00 C ATOM 631 CD ARG A 61 13.775 -5.425 8.066 1.00 0.00 C ATOM 632 NE ARG A 61 14.445 -5.156 6.796 1.00 0.00 N ATOM 633 CZ ARG A 61 15.123 -6.066 6.098 1.00 0.00 C ATOM 634 NH1 ARG A 61 15.201 -7.322 6.520 1.00 0.00 N ATOM 635 NH2 ARG A 61 15.731 -5.715 4.974 1.00 0.00 N ATOM 0 H ARG A 61 11.507 -4.531 8.809 1.00 0.00 H new ATOM 0 HA ARG A 61 10.032 -4.693 6.448 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.465 -6.872 6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.213 -5.288 6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.049 -6.430 8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.995 -7.398 7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.411 -4.487 8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.496 -5.833 8.774 1.00 0.00 H new ATOM 0 HE ARG A 61 14.390 -4.210 6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.739 -7.599 7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.723 -8.011 5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.679 -4.751 4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.251 -6.409 4.437 1.00 0.00 H new ATOM 649 N TYR A 62 9.241 -6.923 8.719 1.00 0.00 N ATOM 650 CA TYR A 62 8.246 -7.927 9.063 1.00 0.00 C ATOM 651 C TYR A 62 6.870 -7.283 9.042 1.00 0.00 C ATOM 652 O TYR A 62 5.975 -7.727 8.331 1.00 0.00 O ATOM 653 CB TYR A 62 8.531 -8.529 10.441 1.00 0.00 C ATOM 654 CG TYR A 62 9.087 -9.934 10.384 1.00 0.00 C ATOM 655 CD1 TYR A 62 8.241 -11.032 10.289 1.00 0.00 C ATOM 656 CD2 TYR A 62 10.456 -10.163 10.428 1.00 0.00 C ATOM 657 CE1 TYR A 62 8.743 -12.318 10.238 1.00 0.00 C ATOM 658 CE2 TYR A 62 10.967 -11.447 10.377 1.00 0.00 C ATOM 659 CZ TYR A 62 10.106 -12.520 10.282 1.00 0.00 C ATOM 660 OH TYR A 62 10.611 -13.800 10.232 1.00 0.00 O ATOM 0 H TYR A 62 9.850 -6.645 9.488 1.00 0.00 H new ATOM 0 HA TYR A 62 8.286 -8.736 8.333 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.238 -7.889 10.969 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.610 -8.535 11.023 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.173 -10.877 10.254 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.133 -9.325 10.503 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.071 -13.161 10.164 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.034 -11.609 10.411 1.00 0.00 H new ATOM 0 HH TYR A 62 11.590 -13.767 10.272 1.00 0.00 H new ATOM 670 N LYS A 63 6.723 -6.209 9.806 1.00 0.00 N ATOM 671 CA LYS A 63 5.469 -5.473 9.857 1.00 0.00 C ATOM 672 C LYS A 63 5.080 -5.021 8.452 1.00 0.00 C ATOM 673 O LYS A 63 3.900 -4.927 8.116 1.00 0.00 O ATOM 674 CB LYS A 63 5.619 -4.267 10.796 1.00 0.00 C ATOM 675 CG LYS A 63 4.525 -3.219 10.660 1.00 0.00 C ATOM 676 CD LYS A 63 5.037 -1.834 11.022 1.00 0.00 C ATOM 677 CE LYS A 63 5.382 -1.025 9.781 1.00 0.00 C ATOM 678 NZ LYS A 63 4.403 0.073 9.541 1.00 0.00 N ATOM 0 H LYS A 63 7.459 -5.828 10.400 1.00 0.00 H new ATOM 0 HA LYS A 63 4.679 -6.118 10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.635 -4.625 11.826 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.583 -3.794 10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.149 -3.214 9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.687 -3.479 11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.281 -1.306 11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.920 -1.925 11.655 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.381 -0.603 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.407 -1.685 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.207 0.147 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.519 -0.133 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.798 0.972 9.884 1.00 0.00 H new ATOM 692 N ILE A 64 6.088 -4.739 7.637 1.00 0.00 N ATOM 693 CA ILE A 64 5.875 -4.296 6.274 1.00 0.00 C ATOM 694 C ILE A 64 5.301 -5.413 5.396 1.00 0.00 C ATOM 695 O ILE A 64 4.275 -5.235 4.741 1.00 0.00 O ATOM 696 CB ILE A 64 7.203 -3.772 5.672 1.00 0.00 C ATOM 697 CG1 ILE A 64 7.173 -2.246 5.590 1.00 0.00 C ATOM 698 CG2 ILE A 64 7.487 -4.383 4.307 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.319 -1.645 4.800 1.00 0.00 C ATOM 0 H ILE A 64 7.070 -4.812 7.904 1.00 0.00 H new ATOM 0 HA ILE A 64 5.144 -3.488 6.298 1.00 0.00 H new ATOM 0 HB ILE A 64 8.015 -4.076 6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.232 -1.936 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.190 -1.838 6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.427 -3.989 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.559 -5.467 4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.679 -4.132 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.224 -0.559 4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.266 -1.922 5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.293 -2.021 3.777 1.00 0.00 H new ATOM 711 N GLU A 65 5.987 -6.552 5.365 1.00 0.00 N ATOM 712 CA GLU A 65 5.563 -7.679 4.538 1.00 0.00 C ATOM 713 C GLU A 65 4.475 -8.519 5.205 1.00 0.00 C ATOM 714 O GLU A 65 3.704 -9.191 4.521 1.00 0.00 O ATOM 715 CB GLU A 65 6.765 -8.561 4.201 1.00 0.00 C ATOM 716 CG GLU A 65 7.730 -7.923 3.214 1.00 0.00 C ATOM 717 CD GLU A 65 7.711 -8.602 1.858 1.00 0.00 C ATOM 718 OE1 GLU A 65 7.829 -9.844 1.814 1.00 0.00 O ATOM 719 OE2 GLU A 65 7.578 -7.891 0.840 1.00 0.00 O ATOM 0 H GLU A 65 6.838 -6.720 5.902 1.00 0.00 H new ATOM 0 HA GLU A 65 5.137 -7.264 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.301 -8.797 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.408 -9.505 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.476 -6.870 3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.740 -7.962 3.622 1.00 0.00 H new ATOM 726 N THR A 66 4.425 -8.505 6.532 1.00 0.00 N ATOM 727 CA THR A 66 3.443 -9.288 7.257 1.00 0.00 C ATOM 728 C THR A 66 2.255 -8.446 7.730 1.00 0.00 C ATOM 729 O THR A 66 1.282 -8.991 8.250 1.00 0.00 O ATOM 730 CB THR A 66 4.107 -9.960 8.454 1.00 0.00 C ATOM 731 OG1 THR A 66 4.340 -9.028 9.494 1.00 0.00 O ATOM 732 CG2 THR A 66 5.427 -10.623 8.118 1.00 0.00 C ATOM 0 H THR A 66 5.053 -7.960 7.123 1.00 0.00 H new ATOM 0 HA THR A 66 3.054 -10.039 6.570 1.00 0.00 H new ATOM 0 HB THR A 66 3.406 -10.732 8.772 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.657 -8.183 9.111 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.843 -11.081 9.015 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.266 -11.390 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.123 -9.876 7.736 1.00 0.00 H new ATOM 740 N GLU A 67 2.328 -7.124 7.565 1.00 0.00 N ATOM 741 CA GLU A 67 1.234 -6.260 8.004 1.00 0.00 C ATOM 742 C GLU A 67 0.896 -5.174 6.975 1.00 0.00 C ATOM 743 O GLU A 67 -0.276 -4.950 6.674 1.00 0.00 O ATOM 744 CB GLU A 67 1.569 -5.638 9.372 1.00 0.00 C ATOM 745 CG GLU A 67 1.265 -4.149 9.487 1.00 0.00 C ATOM 746 CD GLU A 67 1.267 -3.661 10.923 1.00 0.00 C ATOM 747 OE1 GLU A 67 1.720 -4.418 11.807 1.00 0.00 O ATOM 748 OE2 GLU A 67 0.818 -2.521 11.163 1.00 0.00 O ATOM 0 H GLU A 67 3.117 -6.637 7.139 1.00 0.00 H new ATOM 0 HA GLU A 67 0.344 -6.882 8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.012 -6.169 10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.628 -5.796 9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.003 -3.586 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.292 -3.945 9.040 1.00 0.00 H new ATOM 755 N LEU A 68 1.909 -4.488 6.449 1.00 0.00 N ATOM 756 CA LEU A 68 1.668 -3.424 5.474 1.00 0.00 C ATOM 757 C LEU A 68 1.247 -3.988 4.117 1.00 0.00 C ATOM 758 O LEU A 68 0.056 -4.150 3.855 1.00 0.00 O ATOM 759 CB LEU A 68 2.904 -2.531 5.319 1.00 0.00 C ATOM 760 CG LEU A 68 3.213 -1.624 6.514 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.301 -0.624 6.153 1.00 0.00 C ATOM 762 CD2 LEU A 68 1.958 -0.901 6.980 1.00 0.00 C ATOM 0 H LEU A 68 2.891 -4.646 6.676 1.00 0.00 H new ATOM 0 HA LEU A 68 0.846 -2.817 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.770 -3.167 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.772 -1.907 4.435 1.00 0.00 H new ATOM 0 HG LEU A 68 3.572 -2.247 7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.509 0.013 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.207 -1.159 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.967 -0.009 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.200 -0.262 7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.567 -0.290 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.207 -1.632 7.278 1.00 0.00 H new ATOM 774 N ILE A 69 2.226 -4.276 3.254 1.00 0.00 N ATOM 775 CA ILE A 69 1.956 -4.812 1.918 1.00 0.00 C ATOM 776 C ILE A 69 0.766 -5.779 1.916 1.00 0.00 C ATOM 777 O ILE A 69 -0.182 -5.596 1.152 1.00 0.00 O ATOM 778 CB ILE A 69 3.211 -5.508 1.333 1.00 0.00 C ATOM 779 CG1 ILE A 69 4.164 -4.460 0.750 1.00 0.00 C ATOM 780 CG2 ILE A 69 2.837 -6.532 0.265 1.00 0.00 C ATOM 781 CD1 ILE A 69 5.521 -4.430 1.416 1.00 0.00 C ATOM 0 H ILE A 69 3.217 -4.146 3.459 1.00 0.00 H new ATOM 0 HA ILE A 69 1.697 -3.964 1.284 1.00 0.00 H new ATOM 0 HB ILE A 69 3.710 -6.041 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.296 -4.655 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.704 -3.476 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.742 -7.000 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.193 -7.295 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.309 -6.033 -0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.139 -3.663 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.401 -4.204 2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.002 -5.402 1.305 1.00 0.00 H new ATOM 793 N PRO A 70 0.789 -6.818 2.768 1.00 0.00 N ATOM 794 CA PRO A 70 -0.300 -7.794 2.845 1.00 0.00 C ATOM 795 C PRO A 70 -1.664 -7.125 2.972 1.00 0.00 C ATOM 796 O PRO A 70 -2.655 -7.604 2.423 1.00 0.00 O ATOM 797 CB PRO A 70 0.013 -8.604 4.113 1.00 0.00 C ATOM 798 CG PRO A 70 1.121 -7.874 4.798 1.00 0.00 C ATOM 799 CD PRO A 70 1.859 -7.132 3.723 1.00 0.00 C ATOM 0 HA PRO A 70 -0.355 -8.403 1.943 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.864 -8.677 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.311 -9.622 3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.729 -7.186 5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.782 -8.568 5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.339 -6.232 4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.641 -7.742 3.271 1.00 0.00 H new ATOM 807 N ASN A 71 -1.704 -6.018 3.705 1.00 0.00 N ATOM 808 CA ASN A 71 -2.946 -5.283 3.911 1.00 0.00 C ATOM 809 C ASN A 71 -3.186 -4.276 2.791 1.00 0.00 C ATOM 810 O ASN A 71 -4.326 -4.054 2.382 1.00 0.00 O ATOM 811 CB ASN A 71 -2.920 -4.566 5.262 1.00 0.00 C ATOM 812 CG ASN A 71 -3.182 -5.507 6.421 1.00 0.00 C ATOM 813 OD1 ASN A 71 -3.783 -6.567 6.252 1.00 0.00 O ATOM 814 ND2 ASN A 71 -2.731 -5.122 7.610 1.00 0.00 N ATOM 0 H ASN A 71 -0.891 -5.610 4.166 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.765 -6.002 3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.950 -4.088 5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.669 -3.774 5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.878 -5.714 8.427 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.237 -4.235 7.705 1.00 0.00 H new ATOM 821 N CYS A 72 -2.112 -3.669 2.294 1.00 0.00 N ATOM 822 CA CYS A 72 -2.229 -2.691 1.218 1.00 0.00 C ATOM 823 C CYS A 72 -2.794 -3.349 -0.031 1.00 0.00 C ATOM 824 O CYS A 72 -3.825 -2.927 -0.555 1.00 0.00 O ATOM 825 CB CYS A 72 -0.873 -2.050 0.905 1.00 0.00 C ATOM 826 SG CYS A 72 0.128 -1.656 2.358 1.00 0.00 S ATOM 0 H CYS A 72 -1.159 -3.835 2.616 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.909 -1.906 1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.307 -2.724 0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.041 -1.135 0.337 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.205 -2.440 3.340 1.00 0.00 H new ATOM 832 N THR A 73 -2.121 -4.394 -0.498 1.00 0.00 N ATOM 833 CA THR A 73 -2.573 -5.115 -1.677 1.00 0.00 C ATOM 834 C THR A 73 -3.922 -5.766 -1.398 1.00 0.00 C ATOM 835 O THR A 73 -4.826 -5.722 -2.230 1.00 0.00 O ATOM 836 CB THR A 73 -1.539 -6.163 -2.097 1.00 0.00 C ATOM 837 OG1 THR A 73 -1.682 -6.487 -3.469 1.00 0.00 O ATOM 838 CG2 THR A 73 -1.629 -7.451 -1.310 1.00 0.00 C ATOM 0 H THR A 73 -1.265 -4.758 -0.079 1.00 0.00 H new ATOM 0 HA THR A 73 -2.688 -4.410 -2.500 1.00 0.00 H new ATOM 0 HB THR A 73 -0.571 -5.704 -1.896 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.011 -7.157 -3.719 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.867 -8.146 -1.662 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.470 -7.243 -0.252 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.615 -7.894 -1.448 1.00 0.00 H new ATOM 846 N SER A 74 -4.068 -6.343 -0.207 1.00 0.00 N ATOM 847 CA SER A 74 -5.331 -6.961 0.175 1.00 0.00 C ATOM 848 C SER A 74 -6.440 -5.921 0.077 1.00 0.00 C ATOM 849 O SER A 74 -7.590 -6.237 -0.225 1.00 0.00 O ATOM 850 CB SER A 74 -5.253 -7.520 1.597 1.00 0.00 C ATOM 851 OG SER A 74 -6.534 -7.905 2.065 1.00 0.00 O ATOM 0 H SER A 74 -3.336 -6.394 0.501 1.00 0.00 H new ATOM 0 HA SER A 74 -5.543 -7.790 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.582 -8.379 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.830 -6.769 2.264 1.00 0.00 H new ATOM 0 HG SER A 74 -6.457 -8.260 2.975 1.00 0.00 H new ATOM 857 N VAL A 75 -6.060 -4.668 0.313 1.00 0.00 N ATOM 858 CA VAL A 75 -6.981 -3.551 0.232 1.00 0.00 C ATOM 859 C VAL A 75 -7.349 -3.290 -1.231 1.00 0.00 C ATOM 860 O VAL A 75 -8.446 -2.823 -1.533 1.00 0.00 O ATOM 861 CB VAL A 75 -6.354 -2.294 0.894 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.358 -1.086 -0.028 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.057 -1.967 2.204 1.00 0.00 C ATOM 0 H VAL A 75 -5.107 -4.405 0.565 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.896 -3.791 0.774 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.311 -2.535 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.909 -0.236 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.784 -1.312 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.384 -0.842 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.602 -1.083 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.112 -1.774 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.961 -2.810 2.889 1.00 0.00 H new ATOM 873 N ARG A 76 -6.428 -3.630 -2.137 1.00 0.00 N ATOM 874 CA ARG A 76 -6.661 -3.470 -3.568 1.00 0.00 C ATOM 875 C ARG A 76 -7.749 -4.432 -4.016 1.00 0.00 C ATOM 876 O ARG A 76 -8.766 -4.022 -4.570 1.00 0.00 O ATOM 877 CB ARG A 76 -5.385 -3.760 -4.361 1.00 0.00 C ATOM 878 CG ARG A 76 -4.283 -2.731 -4.172 1.00 0.00 C ATOM 879 CD ARG A 76 -2.999 -3.174 -4.857 1.00 0.00 C ATOM 880 NE ARG A 76 -3.214 -3.491 -6.266 1.00 0.00 N ATOM 881 CZ ARG A 76 -2.239 -3.826 -7.108 1.00 0.00 C ATOM 882 NH1 ARG A 76 -0.982 -3.891 -6.686 1.00 0.00 N ATOM 883 NH2 ARG A 76 -2.520 -4.098 -8.374 1.00 0.00 N ATOM 0 H ARG A 76 -5.515 -4.018 -1.901 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.968 -2.441 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.005 -4.739 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.635 -3.817 -5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.603 -1.771 -4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.099 -2.582 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.252 -2.385 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.598 -4.049 -4.345 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.168 -3.454 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.760 -3.684 -5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.239 -4.148 -7.335 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.484 -4.051 -8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.772 -4.355 -9.019 1.00 0.00 H new ATOM 897 N ASP A 77 -7.525 -5.722 -3.759 1.00 0.00 N ATOM 898 CA ASP A 77 -8.487 -6.756 -4.124 1.00 0.00 C ATOM 899 C ASP A 77 -9.886 -6.347 -3.684 1.00 0.00 C ATOM 900 O ASP A 77 -10.872 -6.617 -4.370 1.00 0.00 O ATOM 901 CB ASP A 77 -8.100 -8.093 -3.485 1.00 0.00 C ATOM 902 CG ASP A 77 -7.785 -9.157 -4.519 1.00 0.00 C ATOM 903 OD1 ASP A 77 -7.380 -8.791 -5.643 1.00 0.00 O ATOM 904 OD2 ASP A 77 -7.942 -10.355 -4.204 1.00 0.00 O ATOM 0 H ASP A 77 -6.685 -6.073 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.479 -6.874 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.233 -7.948 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.915 -8.438 -2.849 1.00 0.00 H new ATOM 909 N LYS A 78 -9.957 -5.673 -2.541 1.00 0.00 N ATOM 910 CA LYS A 78 -11.226 -5.199 -2.014 1.00 0.00 C ATOM 911 C LYS A 78 -11.790 -4.122 -2.929 1.00 0.00 C ATOM 912 O LYS A 78 -12.983 -4.107 -3.237 1.00 0.00 O ATOM 913 CB LYS A 78 -11.037 -4.651 -0.596 1.00 0.00 C ATOM 914 CG LYS A 78 -11.189 -5.705 0.490 1.00 0.00 C ATOM 915 CD LYS A 78 -12.040 -5.202 1.647 1.00 0.00 C ATOM 916 CE LYS A 78 -11.327 -5.369 2.980 1.00 0.00 C ATOM 917 NZ LYS A 78 -11.062 -6.801 3.294 1.00 0.00 N ATOM 0 H LYS A 78 -9.148 -5.444 -1.963 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.930 -6.030 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.047 -4.202 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.762 -3.856 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.643 -6.601 0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.204 -5.991 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.281 -4.150 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.984 -5.746 1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.384 -4.822 2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.932 -4.930 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.797 -6.894 4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.918 -7.361 3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.285 -7.149 2.697 1.00 0.00 H new ATOM 931 N ILE A 79 -10.911 -3.233 -3.378 1.00 0.00 N ATOM 932 CA ILE A 79 -11.296 -2.159 -4.277 1.00 0.00 C ATOM 933 C ILE A 79 -11.599 -2.717 -5.663 1.00 0.00 C ATOM 934 O ILE A 79 -12.603 -2.364 -6.282 1.00 0.00 O ATOM 935 CB ILE A 79 -10.172 -1.105 -4.373 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.094 -0.304 -3.075 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.381 -0.182 -5.564 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.756 0.368 -2.861 1.00 0.00 C ATOM 0 H ILE A 79 -9.922 -3.238 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.192 -1.682 -3.880 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.226 -1.626 -4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.877 0.455 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.297 -0.968 -2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.573 0.549 -5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.386 -0.769 -6.483 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.334 0.336 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.772 0.919 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.971 -0.387 -2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.560 1.057 -3.682 1.00 0.00 H new ATOM 950 N GLU A 80 -10.727 -3.600 -6.136 1.00 0.00 N ATOM 951 CA GLU A 80 -10.901 -4.219 -7.440 1.00 0.00 C ATOM 952 C GLU A 80 -12.127 -5.122 -7.435 1.00 0.00 C ATOM 953 O GLU A 80 -12.805 -5.272 -8.451 1.00 0.00 O ATOM 954 CB GLU A 80 -9.657 -5.025 -7.819 1.00 0.00 C ATOM 955 CG GLU A 80 -8.377 -4.206 -7.814 1.00 0.00 C ATOM 956 CD GLU A 80 -7.191 -4.975 -8.361 1.00 0.00 C ATOM 957 OE1 GLU A 80 -6.535 -5.692 -7.576 1.00 0.00 O ATOM 958 OE2 GLU A 80 -6.919 -4.862 -9.575 1.00 0.00 O ATOM 0 H GLU A 80 -9.892 -3.902 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.046 -3.432 -8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.548 -5.858 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.800 -5.454 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.525 -3.304 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.159 -3.886 -6.795 1.00 0.00 H new ATOM 965 N SER A 81 -12.417 -5.711 -6.276 1.00 0.00 N ATOM 966 CA SER A 81 -13.574 -6.585 -6.140 1.00 0.00 C ATOM 967 C SER A 81 -14.850 -5.791 -6.385 1.00 0.00 C ATOM 968 O SER A 81 -15.819 -6.301 -6.948 1.00 0.00 O ATOM 969 CB SER A 81 -13.607 -7.217 -4.747 1.00 0.00 C ATOM 970 OG SER A 81 -12.979 -8.488 -4.749 1.00 0.00 O ATOM 0 H SER A 81 -11.868 -5.598 -5.424 1.00 0.00 H new ATOM 0 HA SER A 81 -13.501 -7.383 -6.879 1.00 0.00 H new ATOM 0 HB2 SER A 81 -13.106 -6.561 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.640 -7.319 -4.415 1.00 0.00 H new ATOM 0 HG SER A 81 -12.013 -8.376 -4.624 1.00 0.00 H new ATOM 976 N ASN A 82 -14.829 -4.532 -5.964 1.00 0.00 N ATOM 977 CA ASN A 82 -15.967 -3.641 -6.138 1.00 0.00 C ATOM 978 C ASN A 82 -16.045 -3.158 -7.585 1.00 0.00 C ATOM 979 O ASN A 82 -15.322 -2.246 -7.985 1.00 0.00 O ATOM 980 CB ASN A 82 -15.838 -2.452 -5.188 1.00 0.00 C ATOM 981 CG ASN A 82 -17.144 -1.716 -4.990 1.00 0.00 C ATOM 982 OD1 ASN A 82 -17.088 -0.396 -5.081 1.00 0.00 O flip ATOM 983 ND2 ASN A 82 -18.189 -2.325 -4.759 1.00 0.00 N flip ATOM 0 H ASN A 82 -14.030 -4.104 -5.497 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.884 -4.184 -5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.474 -2.802 -4.222 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.092 -1.760 -5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.183 -3.343 -4.698 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -19.061 -1.811 -4.629 1.00 0.00 H new ATOM 990 N ILE A 83 -16.916 -3.788 -8.369 1.00 0.00 N ATOM 991 CA ILE A 83 -17.080 -3.442 -9.780 1.00 0.00 C ATOM 992 C ILE A 83 -17.242 -1.939 -9.995 1.00 0.00 C ATOM 993 O ILE A 83 -16.894 -1.418 -11.054 1.00 0.00 O ATOM 994 CB ILE A 83 -18.288 -4.170 -10.402 1.00 0.00 C ATOM 995 CG1 ILE A 83 -18.310 -3.967 -11.919 1.00 0.00 C ATOM 996 CG2 ILE A 83 -19.586 -3.677 -9.778 1.00 0.00 C ATOM 997 CD1 ILE A 83 -17.040 -4.418 -12.608 1.00 0.00 C ATOM 0 H ILE A 83 -17.522 -4.544 -8.050 1.00 0.00 H new ATOM 0 HA ILE A 83 -16.165 -3.766 -10.275 1.00 0.00 H new ATOM 0 HB ILE A 83 -18.192 -5.236 -10.198 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -19.155 -4.513 -12.338 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -18.475 -2.911 -12.134 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -20.429 -4.201 -10.229 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -19.570 -3.870 -8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -19.690 -2.606 -9.953 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -17.127 -4.244 -13.681 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -16.194 -3.854 -12.216 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -16.884 -5.481 -12.424 1.00 0.00 H new ATOM 1009 N LEU A 84 -17.769 -1.243 -8.993 1.00 0.00 N ATOM 1010 CA LEU A 84 -17.966 0.199 -9.098 1.00 0.00 C ATOM 1011 C LEU A 84 -16.660 0.898 -9.468 1.00 0.00 C ATOM 1012 O LEU A 84 -16.669 2.007 -10.003 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.509 0.765 -7.786 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.016 0.604 -7.584 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.354 0.570 -6.102 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.771 1.728 -8.279 1.00 0.00 C ATOM 0 H LEU A 84 -18.065 -1.650 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.695 0.383 -9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.993 0.279 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.263 1.826 -7.737 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.324 -0.342 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.431 0.455 -5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -19.842 -0.269 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.032 1.500 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.842 1.597 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.459 2.687 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.553 1.707 -9.347 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.538 0.239 -9.187 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.230 0.796 -9.501 1.00 0.00 C ATOM 1030 C ILE A 85 -14.015 0.854 -11.011 1.00 0.00 C ATOM 1031 O ILE A 85 -13.247 1.675 -11.510 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.099 -0.028 -8.848 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -11.739 0.628 -9.096 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.106 -1.457 -9.369 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.244 1.446 -7.925 1.00 0.00 C ATOM 0 H ILE A 85 -15.511 -0.679 -8.743 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.201 1.808 -9.097 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.275 -0.054 -7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.007 -0.146 -9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.808 1.270 -9.974 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -12.302 -2.021 -8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.062 -1.925 -9.136 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -12.959 -1.451 -10.449 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.275 1.882 -8.169 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.957 2.242 -7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.143 0.804 -7.050 1.00 0.00 H new ATOM 1047 N HIS A 86 -14.708 -0.020 -11.737 1.00 0.00 N ATOM 1048 CA HIS A 86 -14.597 -0.062 -13.191 1.00 0.00 C ATOM 1049 C HIS A 86 -15.606 0.880 -13.846 1.00 0.00 C ATOM 1050 O HIS A 86 -15.441 1.272 -15.002 1.00 0.00 O ATOM 1051 CB HIS A 86 -14.813 -1.490 -13.697 1.00 0.00 C ATOM 1052 CG HIS A 86 -13.669 -2.409 -13.398 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -13.325 -3.054 -12.258 1.00 0.00 N flip ATOM 1054 CD2 HIS A 86 -12.717 -2.755 -14.334 1.00 0.00 C flip ATOM 1055 CE1 HIS A 86 -12.184 -3.770 -12.525 1.00 0.00 C flip ATOM 1056 NE2 HIS A 86 -11.838 -3.573 -13.783 1.00 0.00 N flip ATOM 0 H HIS A 86 -15.351 -0.707 -11.342 1.00 0.00 H new ATOM 0 HA HIS A 86 -13.594 0.267 -13.462 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -15.720 -1.893 -13.247 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.976 -1.464 -14.774 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.694 -2.411 -15.357 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.655 -4.394 -11.819 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.029 -3.983 -14.251 1.00 0.00 H new ATOM 1065 N GLN A 87 -16.651 1.237 -13.104 1.00 0.00 N ATOM 1066 CA GLN A 87 -17.684 2.130 -13.615 1.00 0.00 C ATOM 1067 C GLN A 87 -17.315 3.589 -13.365 1.00 0.00 C ATOM 1068 O GLN A 87 -17.428 4.433 -14.254 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.034 1.789 -12.966 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.513 2.793 -11.924 1.00 0.00 C ATOM 1071 CD GLN A 87 -20.890 2.459 -11.382 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.104 1.191 -11.048 1.00 0.00 O flip ATOM 1073 NE2 GLN A 87 -21.751 3.330 -11.265 1.00 0.00 N flip ATOM 0 H GLN A 87 -16.804 0.921 -12.146 1.00 0.00 H new ATOM 0 HA GLN A 87 -17.766 1.990 -14.693 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -19.788 1.711 -13.749 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -18.959 0.808 -12.497 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.800 2.824 -11.100 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.532 3.789 -12.366 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -21.543 4.292 -11.534 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -22.672 3.090 -10.899 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.879 3.875 -12.144 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.498 5.232 -11.767 1.00 0.00 C ATOM 1084 C ASN A 88 -15.098 5.565 -12.274 1.00 0.00 C ATOM 1085 O ASN A 88 -14.099 5.167 -11.676 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.552 5.395 -10.246 1.00 0.00 C ATOM 1087 CG ASN A 88 -17.897 5.908 -9.767 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -18.941 5.349 -10.101 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -17.876 6.978 -8.981 1.00 0.00 N ATOM 0 H ASN A 88 -16.780 3.186 -11.398 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.206 5.922 -12.226 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.343 4.436 -9.773 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.769 6.084 -9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -18.750 7.369 -8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.986 7.409 -8.730 1.00 0.00 H new ATOM 1096 N GLY A 89 -15.037 6.299 -13.382 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.758 6.676 -13.957 1.00 0.00 C ATOM 1098 C GLY A 89 -12.857 7.384 -12.963 1.00 0.00 C ATOM 1099 O GLY A 89 -11.672 7.068 -12.856 1.00 0.00 O ATOM 0 H GLY A 89 -15.852 6.640 -13.892 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.253 5.784 -14.328 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.927 7.326 -14.815 1.00 0.00 H new ATOM 1103 N LYS A 90 -13.419 8.342 -12.233 1.00 0.00 N ATOM 1104 CA LYS A 90 -12.657 9.093 -11.242 1.00 0.00 C ATOM 1105 C LYS A 90 -12.032 8.154 -10.215 1.00 0.00 C ATOM 1106 O LYS A 90 -10.811 8.021 -10.144 1.00 0.00 O ATOM 1107 CB LYS A 90 -13.554 10.115 -10.540 1.00 0.00 C ATOM 1108 CG LYS A 90 -12.875 11.455 -10.299 1.00 0.00 C ATOM 1109 CD LYS A 90 -12.921 11.851 -8.831 1.00 0.00 C ATOM 1110 CE LYS A 90 -12.574 13.318 -8.638 1.00 0.00 C ATOM 1111 NZ LYS A 90 -11.163 13.503 -8.201 1.00 0.00 N ATOM 0 H LYS A 90 -14.398 8.616 -12.309 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.857 9.622 -11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.450 10.273 -11.141 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.880 9.705 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.838 11.402 -10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.362 12.223 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.916 11.656 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.224 11.234 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.738 13.856 -9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.244 13.755 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.967 14.517 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.012 13.012 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.523 13.109 -8.920 1.00 0.00 H new ATOM 1125 N LEU A 91 -12.878 7.502 -9.422 1.00 0.00 N ATOM 1126 CA LEU A 91 -12.406 6.575 -8.403 1.00 0.00 C ATOM 1127 C LEU A 91 -11.494 5.515 -9.005 1.00 0.00 C ATOM 1128 O LEU A 91 -10.482 5.143 -8.411 1.00 0.00 O ATOM 1129 CB LEU A 91 -13.587 5.904 -7.710 1.00 0.00 C ATOM 1130 CG LEU A 91 -14.095 6.630 -6.470 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -15.315 5.921 -5.912 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -12.996 6.727 -5.419 1.00 0.00 C ATOM 0 H LEU A 91 -13.892 7.600 -9.467 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.835 7.146 -7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -14.406 5.815 -8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.298 4.891 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.383 7.643 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.669 6.449 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.103 5.906 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.050 4.898 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.377 7.248 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.675 5.725 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.149 7.277 -5.828 1.00 0.00 H new ATOM 1144 N SER A 92 -11.857 5.035 -10.191 1.00 0.00 N ATOM 1145 CA SER A 92 -11.066 4.020 -10.880 1.00 0.00 C ATOM 1146 C SER A 92 -9.594 4.406 -10.869 1.00 0.00 C ATOM 1147 O SER A 92 -8.722 3.578 -10.605 1.00 0.00 O ATOM 1148 CB SER A 92 -11.552 3.851 -12.321 1.00 0.00 C ATOM 1149 OG SER A 92 -10.883 2.778 -12.962 1.00 0.00 O ATOM 0 H SER A 92 -12.693 5.332 -10.695 1.00 0.00 H new ATOM 0 HA SER A 92 -11.188 3.072 -10.357 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.627 3.669 -12.327 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.382 4.773 -12.876 1.00 0.00 H new ATOM 0 HG SER A 92 -11.345 1.937 -12.760 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.334 5.678 -11.140 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.974 6.198 -11.147 1.00 0.00 C ATOM 1157 C ALA A 93 -7.433 6.289 -9.726 1.00 0.00 C ATOM 1158 O ALA A 93 -6.233 6.146 -9.494 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.935 7.562 -11.818 1.00 0.00 C ATOM 0 H ALA A 93 -10.050 6.371 -11.359 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.343 5.514 -11.714 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.912 7.939 -11.816 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.287 7.472 -12.846 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.578 8.254 -11.274 1.00 0.00 H new ATOM 1165 N ASP A 94 -8.335 6.526 -8.776 1.00 0.00 N ATOM 1166 CA ASP A 94 -7.966 6.634 -7.368 1.00 0.00 C ATOM 1167 C ASP A 94 -7.065 5.477 -6.947 1.00 0.00 C ATOM 1168 O ASP A 94 -5.872 5.661 -6.715 1.00 0.00 O ATOM 1169 CB ASP A 94 -9.220 6.661 -6.492 1.00 0.00 C ATOM 1170 CG ASP A 94 -9.116 7.669 -5.364 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -8.033 7.763 -4.750 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -10.118 8.365 -5.096 1.00 0.00 O ATOM 0 H ASP A 94 -9.331 6.647 -8.958 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.415 7.565 -7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.086 6.899 -7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.389 5.669 -6.074 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.647 4.286 -6.856 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.905 3.096 -6.465 1.00 0.00 C ATOM 1179 C PHE A 95 -5.747 2.832 -7.427 1.00 0.00 C ATOM 1180 O PHE A 95 -4.650 2.466 -7.005 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.855 1.894 -6.409 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.315 0.642 -7.046 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.458 0.436 -8.408 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -6.667 -0.322 -6.289 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -6.966 -0.708 -9.005 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.174 -1.467 -6.881 1.00 0.00 C ATOM 1187 CZ PHE A 95 -6.323 -1.661 -8.240 1.00 0.00 C ATOM 0 H PHE A 95 -8.635 4.120 -7.049 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.478 3.256 -5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.092 1.683 -5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.790 2.163 -6.901 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.960 1.179 -9.010 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.547 -0.175 -5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.084 -0.857 -10.068 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.672 -2.211 -6.281 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.937 -2.557 -8.704 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.000 3.016 -8.721 1.00 0.00 N ATOM 1198 CA LYS A 96 -4.977 2.793 -9.739 1.00 0.00 C ATOM 1199 C LYS A 96 -3.697 3.546 -9.399 1.00 0.00 C ATOM 1200 O LYS A 96 -2.596 3.014 -9.534 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.489 3.233 -11.110 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.369 2.199 -11.790 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.107 2.793 -12.977 1.00 0.00 C ATOM 1204 CE LYS A 96 -7.665 1.711 -13.886 1.00 0.00 C ATOM 1205 NZ LYS A 96 -8.638 0.835 -13.177 1.00 0.00 N ATOM 0 H LYS A 96 -6.902 3.318 -9.088 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.754 1.726 -9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.052 4.160 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.637 3.453 -11.753 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.757 1.361 -12.123 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.089 1.804 -11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.920 3.425 -12.621 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.431 3.432 -13.544 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.152 2.174 -14.744 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.846 1.105 -14.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.918 0.051 -13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.198 0.453 -12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.480 1.389 -12.919 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.852 4.786 -8.952 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.709 5.615 -8.585 1.00 0.00 C ATOM 1221 C ASN A 97 -2.050 5.086 -7.317 1.00 0.00 C ATOM 1222 O ASN A 97 -0.828 5.126 -7.176 1.00 0.00 O ATOM 1223 CB ASN A 97 -3.149 7.065 -8.376 1.00 0.00 C ATOM 1224 CG ASN A 97 -2.115 8.059 -8.866 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -1.061 8.230 -8.254 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -2.413 8.723 -9.978 1.00 0.00 N ATOM 0 H ASN A 97 -4.758 5.240 -8.835 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.985 5.578 -9.399 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.090 7.235 -8.900 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.339 7.235 -7.316 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.756 9.406 -10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.299 8.550 -10.454 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.871 4.590 -6.398 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.372 4.049 -5.141 1.00 0.00 C ATOM 1235 C LEU A 98 -1.632 2.741 -5.378 1.00 0.00 C ATOM 1236 O LEU A 98 -0.454 2.615 -5.047 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.526 3.832 -4.162 1.00 0.00 C ATOM 1238 CG LEU A 98 -4.489 5.012 -4.034 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.824 4.560 -3.465 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -3.881 6.103 -3.171 1.00 0.00 C ATOM 0 H LEU A 98 -3.885 4.552 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.675 4.768 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.090 2.954 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.112 3.610 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.665 5.419 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.493 5.416 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.268 3.815 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.670 4.124 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.580 6.935 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.673 5.707 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.953 6.451 -3.625 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.324 1.770 -5.963 1.00 0.00 N ATOM 1253 CA LYS A 99 -1.712 0.478 -6.252 1.00 0.00 C ATOM 1254 C LYS A 99 -0.484 0.669 -7.129 1.00 0.00 C ATOM 1255 O LYS A 99 0.500 -0.058 -7.007 1.00 0.00 O ATOM 1256 CB LYS A 99 -2.709 -0.457 -6.942 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.400 0.165 -8.146 1.00 0.00 C ATOM 1258 CD LYS A 99 -3.285 -0.721 -9.378 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.004 0.095 -10.629 1.00 0.00 C ATOM 1260 NZ LYS A 99 -2.290 -0.702 -11.664 1.00 0.00 N ATOM 0 H LYS A 99 -3.301 1.851 -6.245 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.412 0.022 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.187 -1.359 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.465 -0.764 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.452 0.334 -7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.959 1.140 -8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.487 -1.449 -9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.209 -1.284 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.944 0.465 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.406 0.968 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.117 -0.109 -12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.382 -1.034 -11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.872 -1.521 -11.934 1.00 0.00 H new ATOM 1274 N THR A 100 -0.548 1.669 -8.000 1.00 0.00 N ATOM 1275 CA THR A 100 0.559 1.979 -8.889 1.00 0.00 C ATOM 1276 C THR A 100 1.731 2.531 -8.088 1.00 0.00 C ATOM 1277 O THR A 100 2.841 2.002 -8.144 1.00 0.00 O ATOM 1278 CB THR A 100 0.114 2.989 -9.951 1.00 0.00 C ATOM 1279 OG1 THR A 100 -0.648 2.351 -10.960 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.262 3.704 -10.629 1.00 0.00 C ATOM 0 H THR A 100 -1.358 2.279 -8.108 1.00 0.00 H new ATOM 0 HA THR A 100 0.878 1.066 -9.391 1.00 0.00 H new ATOM 0 HB THR A 100 -0.478 3.727 -9.410 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.568 2.689 -10.938 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.870 4.403 -11.368 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.841 4.250 -9.884 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.903 2.975 -11.124 1.00 0.00 H new ATOM 1288 N LYS A 101 1.474 3.595 -7.332 1.00 0.00 N ATOM 1289 CA LYS A 101 2.509 4.206 -6.514 1.00 0.00 C ATOM 1290 C LYS A 101 3.025 3.198 -5.495 1.00 0.00 C ATOM 1291 O LYS A 101 4.214 3.163 -5.188 1.00 0.00 O ATOM 1292 CB LYS A 101 1.971 5.461 -5.810 1.00 0.00 C ATOM 1293 CG LYS A 101 1.177 5.177 -4.542 1.00 0.00 C ATOM 1294 CD LYS A 101 0.842 6.459 -3.797 1.00 0.00 C ATOM 1295 CE LYS A 101 1.789 6.688 -2.629 1.00 0.00 C ATOM 1296 NZ LYS A 101 2.928 7.571 -3.002 1.00 0.00 N ATOM 0 H LYS A 101 0.562 4.048 -7.271 1.00 0.00 H new ATOM 0 HA LYS A 101 3.335 4.508 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.810 6.111 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.337 6.010 -6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.257 4.652 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.751 4.516 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.897 7.305 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.184 6.411 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.241 7.134 -1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.172 5.729 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.541 7.716 -2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.477 7.126 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.563 8.489 -3.328 1.00 0.00 H new ATOM 1310 N TYR A 102 2.113 2.375 -4.987 1.00 0.00 N ATOM 1311 CA TYR A 102 2.459 1.353 -4.007 1.00 0.00 C ATOM 1312 C TYR A 102 3.477 0.373 -4.587 1.00 0.00 C ATOM 1313 O TYR A 102 4.391 -0.070 -3.891 1.00 0.00 O ATOM 1314 CB TYR A 102 1.192 0.616 -3.551 1.00 0.00 C ATOM 1315 CG TYR A 102 1.435 -0.777 -3.006 1.00 0.00 C ATOM 1316 CD1 TYR A 102 2.209 -0.980 -1.869 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.886 -1.889 -3.632 1.00 0.00 C ATOM 1318 CE1 TYR A 102 2.428 -2.253 -1.373 1.00 0.00 C ATOM 1319 CE2 TYR A 102 1.100 -3.163 -3.142 1.00 0.00 C ATOM 1320 CZ TYR A 102 1.871 -3.339 -2.014 1.00 0.00 C ATOM 1321 OH TYR A 102 2.084 -4.605 -1.524 1.00 0.00 O ATOM 0 H TYR A 102 1.125 2.397 -5.240 1.00 0.00 H new ATOM 0 HA TYR A 102 2.913 1.835 -3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.698 1.211 -2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.504 0.547 -4.394 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.646 -0.131 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.281 -1.755 -4.517 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.032 -2.395 -0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.665 -4.017 -3.641 1.00 0.00 H new ATOM 0 HH TYR A 102 2.227 -5.225 -2.270 1.00 0.00 H new ATOM 1331 N GLN A 103 3.313 0.040 -5.863 1.00 0.00 N ATOM 1332 CA GLN A 103 4.221 -0.886 -6.529 1.00 0.00 C ATOM 1333 C GLN A 103 5.642 -0.340 -6.535 1.00 0.00 C ATOM 1334 O GLN A 103 6.603 -1.080 -6.336 1.00 0.00 O ATOM 1335 CB GLN A 103 3.760 -1.150 -7.965 1.00 0.00 C ATOM 1336 CG GLN A 103 2.451 -1.916 -8.059 1.00 0.00 C ATOM 1337 CD GLN A 103 2.525 -3.080 -9.028 1.00 0.00 C ATOM 1338 OE1 GLN A 103 2.691 -4.230 -8.624 1.00 0.00 O ATOM 1339 NE2 GLN A 103 2.401 -2.783 -10.317 1.00 0.00 N ATOM 0 H GLN A 103 2.562 0.396 -6.455 1.00 0.00 H new ATOM 0 HA GLN A 103 4.210 -1.825 -5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.650 -0.197 -8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.536 -1.709 -8.488 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.180 -2.287 -7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.658 -1.237 -8.373 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.265 -1.814 -10.606 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.442 -3.524 -11.017 1.00 0.00 H new ATOM 1348 N SER A 104 5.771 0.959 -6.763 1.00 0.00 N ATOM 1349 CA SER A 104 7.080 1.596 -6.788 1.00 0.00 C ATOM 1350 C SER A 104 7.732 1.530 -5.414 1.00 0.00 C ATOM 1351 O SER A 104 8.950 1.394 -5.297 1.00 0.00 O ATOM 1352 CB SER A 104 6.950 3.054 -7.217 1.00 0.00 C ATOM 1353 OG SER A 104 6.161 3.176 -8.388 1.00 0.00 O ATOM 0 H SER A 104 4.988 1.591 -6.933 1.00 0.00 H new ATOM 0 HA SER A 104 7.704 1.063 -7.505 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.501 3.634 -6.411 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.940 3.472 -7.397 1.00 0.00 H new ATOM 0 HG SER A 104 6.093 4.121 -8.640 1.00 0.00 H new ATOM 1359 N LEU A 105 6.910 1.635 -4.378 1.00 0.00 N ATOM 1360 CA LEU A 105 7.396 1.596 -3.009 1.00 0.00 C ATOM 1361 C LEU A 105 8.009 0.245 -2.687 1.00 0.00 C ATOM 1362 O LEU A 105 9.129 0.167 -2.185 1.00 0.00 O ATOM 1363 CB LEU A 105 6.250 1.885 -2.041 1.00 0.00 C ATOM 1364 CG LEU A 105 5.457 3.156 -2.339 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.192 3.209 -1.495 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.319 4.383 -2.099 1.00 0.00 C ATOM 0 H LEU A 105 5.900 1.748 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 105 8.167 2.359 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.565 1.037 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.656 1.957 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 105 5.162 3.144 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.641 4.122 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.568 2.344 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.459 3.200 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.741 5.282 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.643 4.402 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.192 4.347 -2.751 1.00 0.00 H new ATOM 1378 N GLN A 106 7.271 -0.818 -2.974 1.00 0.00 N ATOM 1379 CA GLN A 106 7.762 -2.167 -2.701 1.00 0.00 C ATOM 1380 C GLN A 106 9.085 -2.407 -3.423 1.00 0.00 C ATOM 1381 O GLN A 106 10.017 -2.983 -2.863 1.00 0.00 O ATOM 1382 CB GLN A 106 6.748 -3.248 -3.113 1.00 0.00 C ATOM 1383 CG GLN A 106 5.584 -2.757 -3.960 1.00 0.00 C ATOM 1384 CD GLN A 106 4.984 -3.857 -4.813 1.00 0.00 C ATOM 1385 OE1 GLN A 106 5.102 -3.844 -6.039 1.00 0.00 O ATOM 1386 NE2 GLN A 106 4.337 -4.820 -4.168 1.00 0.00 N ATOM 0 H GLN A 106 6.341 -0.778 -3.391 1.00 0.00 H new ATOM 0 HA GLN A 106 7.911 -2.240 -1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.275 -4.026 -3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.349 -3.712 -2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.813 -2.345 -3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.924 -1.946 -4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.263 -4.792 -3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.914 -5.588 -4.689 1.00 0.00 H new ATOM 1395 N GLN A 107 9.152 -1.965 -4.675 1.00 0.00 N ATOM 1396 CA GLN A 107 10.353 -2.132 -5.489 1.00 0.00 C ATOM 1397 C GLN A 107 11.515 -1.295 -4.959 1.00 0.00 C ATOM 1398 O GLN A 107 12.628 -1.796 -4.805 1.00 0.00 O ATOM 1399 CB GLN A 107 10.073 -1.745 -6.944 1.00 0.00 C ATOM 1400 CG GLN A 107 8.741 -2.252 -7.472 1.00 0.00 C ATOM 1401 CD GLN A 107 8.902 -3.269 -8.585 1.00 0.00 C ATOM 1402 OE1 GLN A 107 8.259 -4.318 -8.581 1.00 0.00 O ATOM 1403 NE2 GLN A 107 9.765 -2.962 -9.546 1.00 0.00 N ATOM 0 H GLN A 107 8.386 -1.487 -5.150 1.00 0.00 H new ATOM 0 HA GLN A 107 10.634 -3.184 -5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 107 10.097 -0.659 -7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 107 10.874 -2.134 -7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.178 -2.701 -6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.155 -1.409 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.277 -2.081 -9.509 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.916 -3.608 -10.321 1.00 0.00 H new ATOM 1412 N SER A 108 11.257 -0.017 -4.692 1.00 0.00 N ATOM 1413 CA SER A 108 12.295 0.879 -4.193 1.00 0.00 C ATOM 1414 C SER A 108 12.838 0.395 -2.854 1.00 0.00 C ATOM 1415 O SER A 108 14.028 0.525 -2.566 1.00 0.00 O ATOM 1416 CB SER A 108 11.746 2.299 -4.050 1.00 0.00 C ATOM 1417 OG SER A 108 11.421 2.851 -5.314 1.00 0.00 O ATOM 0 H SER A 108 10.343 0.419 -4.812 1.00 0.00 H new ATOM 0 HA SER A 108 13.112 0.882 -4.914 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.859 2.287 -3.416 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.484 2.929 -3.554 1.00 0.00 H new ATOM 0 HG SER A 108 10.543 2.522 -5.598 1.00 0.00 H new ATOM 1423 N TYR A 109 11.952 -0.155 -2.037 1.00 0.00 N ATOM 1424 CA TYR A 109 12.324 -0.652 -0.721 1.00 0.00 C ATOM 1425 C TYR A 109 12.891 -2.063 -0.803 1.00 0.00 C ATOM 1426 O TYR A 109 13.889 -2.377 -0.155 1.00 0.00 O ATOM 1427 CB TYR A 109 11.099 -0.597 0.200 1.00 0.00 C ATOM 1428 CG TYR A 109 10.820 -1.849 1.009 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.794 -2.426 1.815 1.00 0.00 C ATOM 1430 CD2 TYR A 109 9.565 -2.439 0.976 1.00 0.00 C ATOM 1431 CE1 TYR A 109 11.524 -3.557 2.559 1.00 0.00 C ATOM 1432 CE2 TYR A 109 9.287 -3.566 1.717 1.00 0.00 C ATOM 1433 CZ TYR A 109 10.270 -4.123 2.507 1.00 0.00 C ATOM 1434 OH TYR A 109 9.996 -5.250 3.248 1.00 0.00 O ATOM 0 H TYR A 109 10.964 -0.269 -2.264 1.00 0.00 H new ATOM 0 HA TYR A 109 13.110 -0.019 -0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.225 0.237 0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.221 -0.378 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.778 -1.983 1.860 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.792 -2.007 0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.292 -3.996 3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.304 -4.011 1.679 1.00 0.00 H new ATOM 0 HH TYR A 109 10.546 -5.250 4.059 1.00 0.00 H new ATOM 1444 N ASN A 110 12.250 -2.915 -1.593 1.00 0.00 N ATOM 1445 CA ASN A 110 12.702 -4.292 -1.738 1.00 0.00 C ATOM 1446 C ASN A 110 14.184 -4.330 -2.087 1.00 0.00 C ATOM 1447 O ASN A 110 14.948 -5.118 -1.530 1.00 0.00 O ATOM 1448 CB ASN A 110 11.887 -5.020 -2.808 1.00 0.00 C ATOM 1449 CG ASN A 110 10.597 -5.597 -2.259 1.00 0.00 C ATOM 1450 OD1 ASN A 110 10.512 -5.950 -1.083 1.00 0.00 O ATOM 1451 ND2 ASN A 110 9.584 -5.696 -3.112 1.00 0.00 N ATOM 0 H ASN A 110 11.422 -2.679 -2.139 1.00 0.00 H new ATOM 0 HA ASN A 110 12.553 -4.802 -0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.657 -4.328 -3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 110 12.488 -5.823 -3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.691 -6.077 -2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.699 -5.391 -4.078 1.00 0.00 H new ATOM 1458 N GLN A 111 14.592 -3.458 -2.999 1.00 0.00 N ATOM 1459 CA GLN A 111 15.991 -3.390 -3.389 1.00 0.00 C ATOM 1460 C GLN A 111 16.827 -2.925 -2.209 1.00 0.00 C ATOM 1461 O GLN A 111 17.749 -3.612 -1.774 1.00 0.00 O ATOM 1462 CB GLN A 111 16.196 -2.443 -4.574 1.00 0.00 C ATOM 1463 CG GLN A 111 15.554 -1.075 -4.411 1.00 0.00 C ATOM 1464 CD GLN A 111 15.367 -0.363 -5.737 1.00 0.00 C ATOM 1465 OE1 GLN A 111 14.277 -0.366 -6.309 1.00 0.00 O ATOM 1466 NE2 GLN A 111 16.436 0.247 -6.234 1.00 0.00 N ATOM 0 H GLN A 111 13.981 -2.796 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 111 16.307 -4.387 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.266 -2.311 -4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.794 -2.913 -5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.586 -1.187 -3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.173 -0.462 -3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.319 0.223 -5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 111 16.374 0.739 -7.125 1.00 0.00 H new ATOM 1475 N ARG A 112 16.475 -1.754 -1.690 1.00 0.00 N ATOM 1476 CA ARG A 112 17.164 -1.168 -0.547 1.00 0.00 C ATOM 1477 C ARG A 112 17.302 -2.179 0.586 1.00 0.00 C ATOM 1478 O ARG A 112 18.345 -2.264 1.233 1.00 0.00 O ATOM 1479 CB ARG A 112 16.399 0.060 -0.050 1.00 0.00 C ATOM 1480 CG ARG A 112 16.995 1.379 -0.507 1.00 0.00 C ATOM 1481 CD ARG A 112 16.569 2.521 0.401 1.00 0.00 C ATOM 1482 NE ARG A 112 15.443 3.269 -0.152 1.00 0.00 N ATOM 1483 CZ ARG A 112 15.515 4.010 -1.256 1.00 0.00 C ATOM 1484 NH1 ARG A 112 16.657 4.104 -1.927 1.00 0.00 N ATOM 1485 NH2 ARG A 112 14.443 4.658 -1.691 1.00 0.00 N ATOM 0 H ARG A 112 15.707 -1.186 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 112 18.162 -0.871 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 112 15.367 -0.001 -0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.371 0.043 1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 112 18.082 1.305 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.681 1.588 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 112 16.295 2.124 1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 112 17.411 3.195 0.555 1.00 0.00 H new ATOM 0 HE ARG A 112 14.549 3.221 0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 112 17.485 3.607 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 112 16.707 4.673 -2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 112 13.563 4.589 -1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 112 14.498 5.226 -2.537 1.00 0.00 H new ATOM 1499 N LYS A 113 16.240 -2.942 0.821 1.00 0.00 N ATOM 1500 CA LYS A 113 16.245 -3.944 1.880 1.00 0.00 C ATOM 1501 C LYS A 113 17.319 -4.997 1.617 1.00 0.00 C ATOM 1502 O LYS A 113 17.873 -5.581 2.549 1.00 0.00 O ATOM 1503 CB LYS A 113 14.853 -4.585 2.025 1.00 0.00 C ATOM 1504 CG LYS A 113 14.579 -5.755 1.087 1.00 0.00 C ATOM 1505 CD LYS A 113 13.910 -6.908 1.818 1.00 0.00 C ATOM 1506 CE LYS A 113 12.440 -6.623 2.079 1.00 0.00 C ATOM 1507 NZ LYS A 113 11.576 -7.780 1.713 1.00 0.00 N ATOM 0 H LYS A 113 15.368 -2.886 0.295 1.00 0.00 H new ATOM 0 HA LYS A 113 16.485 -3.453 2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.733 -4.928 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.097 -3.818 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.942 -5.424 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.515 -6.096 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 113 14.006 -7.819 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 113 14.421 -7.086 2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.298 -6.383 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.133 -5.746 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.581 -7.545 1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.691 -7.993 0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.851 -8.610 2.275 1.00 0.00 H new ATOM 1521 N SER A 114 17.615 -5.224 0.341 1.00 0.00 N ATOM 1522 CA SER A 114 18.631 -6.195 -0.050 1.00 0.00 C ATOM 1523 C SER A 114 20.028 -5.584 0.040 1.00 0.00 C ATOM 1524 O SER A 114 21.021 -6.298 0.181 1.00 0.00 O ATOM 1525 CB SER A 114 18.371 -6.691 -1.473 1.00 0.00 C ATOM 1526 OG SER A 114 19.092 -7.880 -1.740 1.00 0.00 O ATOM 0 H SER A 114 17.165 -4.748 -0.441 1.00 0.00 H new ATOM 0 HA SER A 114 18.576 -7.039 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.305 -6.871 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.658 -5.920 -2.188 1.00 0.00 H new ATOM 0 HG SER A 114 18.907 -8.176 -2.656 1.00 0.00 H new ATOM 1532 N LEU A 115 20.094 -4.258 -0.039 1.00 0.00 N ATOM 1533 CA LEU A 115 21.368 -3.544 0.037 1.00 0.00 C ATOM 1534 C LEU A 115 21.682 -3.145 1.476 1.00 0.00 C ATOM 1535 O LEU A 115 22.839 -2.917 1.830 1.00 0.00 O ATOM 1536 CB LEU A 115 21.354 -2.286 -0.845 1.00 0.00 C ATOM 1537 CG LEU A 115 20.160 -2.144 -1.791 1.00 0.00 C ATOM 1538 CD1 LEU A 115 20.120 -0.752 -2.402 1.00 0.00 C ATOM 1539 CD2 LEU A 115 20.208 -3.202 -2.881 1.00 0.00 C ATOM 0 H LEU A 115 19.280 -3.654 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 115 22.140 -4.222 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 115 21.384 -1.411 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 115 22.267 -2.273 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 115 19.249 -2.291 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 115 19.263 -0.673 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 115 20.031 -0.009 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 115 21.037 -0.575 -2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 115 19.350 -3.082 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 115 21.127 -3.091 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 115 20.181 -4.193 -2.428 1.00 0.00 H new ATOM 1551 N PHE A 116 20.642 -3.050 2.299 1.00 0.00 N ATOM 1552 CA PHE A 116 20.803 -2.663 3.697 1.00 0.00 C ATOM 1553 C PHE A 116 20.345 -3.770 4.649 1.00 0.00 C ATOM 1554 O PHE A 116 19.291 -3.661 5.276 1.00 0.00 O ATOM 1555 CB PHE A 116 20.012 -1.385 3.980 1.00 0.00 C ATOM 1556 CG PHE A 116 20.549 -0.175 3.269 1.00 0.00 C ATOM 1557 CD1 PHE A 116 21.673 0.481 3.745 1.00 0.00 C ATOM 1558 CD2 PHE A 116 19.930 0.306 2.127 1.00 0.00 C ATOM 1559 CE1 PHE A 116 22.169 1.594 3.094 1.00 0.00 C ATOM 1560 CE2 PHE A 116 20.421 1.419 1.472 1.00 0.00 C ATOM 1561 CZ PHE A 116 21.543 2.064 1.957 1.00 0.00 C ATOM 0 H PHE A 116 19.678 -3.236 2.022 1.00 0.00 H new ATOM 0 HA PHE A 116 21.865 -2.488 3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 116 18.974 -1.538 3.686 1.00 0.00 H new ATOM 0 HB3 PHE A 116 20.015 -1.196 5.054 1.00 0.00 H new ATOM 0 HD1 PHE A 116 22.167 0.118 4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 116 19.053 -0.195 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 116 23.046 2.096 3.474 1.00 0.00 H new ATOM 0 HE2 PHE A 116 19.929 1.784 0.583 1.00 0.00 H new ATOM 0 HZ PHE A 116 21.929 2.934 1.447 1.00 0.00 H new ATOM 1571 N PRO A 117 21.136 -4.848 4.782 1.00 0.00 N ATOM 1572 CA PRO A 117 20.805 -5.963 5.674 1.00 0.00 C ATOM 1573 C PRO A 117 20.826 -5.539 7.140 1.00 0.00 C ATOM 1574 O PRO A 117 21.071 -4.374 7.453 1.00 0.00 O ATOM 1575 CB PRO A 117 21.908 -6.998 5.403 1.00 0.00 C ATOM 1576 CG PRO A 117 22.567 -6.557 4.139 1.00 0.00 C ATOM 1577 CD PRO A 117 22.411 -5.066 4.086 1.00 0.00 C ATOM 0 HA PRO A 117 19.801 -6.346 5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 117 22.622 -7.035 6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 117 21.490 -7.999 5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 117 23.620 -6.839 4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 117 22.103 -7.028 3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 117 23.236 -4.555 4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 117 22.380 -4.699 3.060 1.00 0.00 H new ATOM 1585 N LEU A 118 20.574 -6.488 8.035 1.00 0.00 N ATOM 1586 CA LEU A 118 20.571 -6.204 9.466 1.00 0.00 C ATOM 1587 C LEU A 118 21.479 -7.178 10.212 1.00 0.00 C ATOM 1588 O LEU A 118 22.321 -6.769 11.011 1.00 0.00 O ATOM 1589 CB LEU A 118 19.150 -6.284 10.032 1.00 0.00 C ATOM 1590 CG LEU A 118 18.046 -5.761 9.109 1.00 0.00 C ATOM 1591 CD1 LEU A 118 16.801 -6.622 9.229 1.00 0.00 C ATOM 1592 CD2 LEU A 118 17.718 -4.311 9.430 1.00 0.00 C ATOM 0 H LEU A 118 20.370 -7.458 7.796 1.00 0.00 H new ATOM 0 HA LEU A 118 20.949 -5.191 9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 118 18.933 -7.323 10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 118 19.117 -5.722 10.965 1.00 0.00 H new ATOM 0 HG LEU A 118 18.408 -5.813 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 118 16.026 -6.236 8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 118 17.040 -7.648 8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 118 16.442 -6.601 10.258 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.931 -3.960 8.762 1.00 0.00 H new ATOM 0 HD22 LEU A 118 17.378 -4.235 10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 118 18.609 -3.698 9.295 1.00 0.00 H new ATOM 1604 N LYS A 119 21.302 -8.467 9.943 1.00 0.00 N ATOM 1605 CA LYS A 119 22.105 -9.500 10.587 1.00 0.00 C ATOM 1606 C LYS A 119 22.162 -10.760 9.728 1.00 0.00 C ATOM 1607 O LYS A 119 21.087 -11.329 9.442 1.00 0.00 O ATOM 1608 CB LYS A 119 21.535 -9.832 11.968 1.00 0.00 C ATOM 1609 CG LYS A 119 22.572 -9.793 13.080 1.00 0.00 C ATOM 1610 CD LYS A 119 22.739 -11.153 13.740 1.00 0.00 C ATOM 1611 CE LYS A 119 23.311 -11.025 15.142 1.00 0.00 C ATOM 1612 NZ LYS A 119 24.464 -10.084 15.189 1.00 0.00 N ATOM 1613 OXT LYS A 119 23.280 -11.167 9.349 1.00 0.00 O ATOM 0 H LYS A 119 20.609 -8.821 9.283 1.00 0.00 H new ATOM 0 HA LYS A 119 23.119 -9.117 10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 119 20.737 -9.127 12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 119 21.085 -10.824 11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 119 23.529 -9.465 12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 119 22.275 -9.059 13.829 1.00 0.00 H new ATOM 0 HD2 LYS A 119 21.774 -11.658 13.784 1.00 0.00 H new ATOM 0 HD3 LYS A 119 23.397 -11.775 13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 119 22.532 -10.679 15.821 1.00 0.00 H new ATOM 0 HE3 LYS A 119 23.629 -12.006 15.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 24.990 -10.224 16.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 25.093 -10.265 14.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 24.115 -9.105 15.144 1.00 0.00 H new TER 1627 LYS A 119