USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1102 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 46 SER OG : rot -53:sc= 1.06 USER MOD Set 1.2: B 83 ASN : amide:sc= 0.819 K(o=1.9,f=-4.2!) USER MOD Set 2.1: B 42 ASN : amide:sc= -0.0921 K(o=-0.092,f=-1.2) USER MOD Set 2.2: B 44 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 24 GLN : amide:sc= 0.221 K(o=0.22,f=-5.5!) USER MOD Set 3.2: B 72 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 46 SER OG : rot -13:sc= 0.0332 USER MOD Set 4.2: A 83 ASN : amide:sc= -0.242 X(o=-0.21,f=0.29) USER MOD Set 5.1: A 37 LYS NZ :NH3+ -174:sc= 2.32 (180deg=1.06) USER MOD Set 5.2: A 40 THR OG1 : rot 180:sc= 1.06 USER MOD Set 6.1: A 26 SER OG : rot -27:sc= 1.71 USER MOD Set 6.2: A 28 GLN : amide:sc= 1.68 K(o=3.4,f=-0.46!) USER MOD Set 7.1: A 24 GLN : amide:sc= 1.91 K(o=2,f=-4.1!) USER MOD Set 7.2: B 26 SER OG : rot -150:sc= 0.0505 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -85:sc= 1.26 USER MOD Single : A 32 HIS : no HD1:sc= 0.979 K(o=0.98,f=-6.4!) USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= -0.0156 (180deg=-0.165) USER MOD Single : A 42 ASN : amide:sc= -0.261 K(o=-0.26,f=-4!) USER MOD Single : A 44 SER OG : rot 39:sc= 0.468 USER MOD Single : A 45 GLN : amide:sc= -1.98 K(o=-2,f=-6.7!) USER MOD Single : A 49 GLN : amide:sc= -0.506 K(o=-0.51,f=-4.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= 1.31 (180deg=1.14) USER MOD Single : A 61 SER OG : rot -5:sc= 0.451 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.125) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 72 TYR OH : rot 150:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-5.8!) USER MOD Single : A 80 HIS : no HD1:sc= -1.39! K(o=-1.4!,f=0.21) USER MOD Single : A 91 TYR OH : rot -176:sc= 0.617 USER MOD Single : A 92 ASN : amide:sc= 0.349 K(o=0.35,f=-1) USER MOD Single : B 27 LYS NZ :NH3+ 162:sc= -0.0872 (180deg=-0.466) USER MOD Single : B 28 GLN : amide:sc= -2.52! X(o=-2.5!,f=-2.2) USER MOD Single : B 31 SER OG : rot -87:sc= 1.01 USER MOD Single : B 32 HIS : no HD1:sc= 1.02 K(o=1,f=-4.9!) USER MOD Single : B 34 LYS NZ :NH3+ -157:sc= 1.15 (180deg=0.778) USER MOD Single : B 37 LYS NZ :NH3+ -165:sc= -0.0106 (180deg=-0.183) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 GLN : amide:sc= -0.0859 X(o=-0.086,f=-0.57) USER MOD Single : B 49 GLN : amide:sc= -0.0105 X(o=-0.011,f=-0.06) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -165:sc= 2.34 (180deg=2.27) USER MOD Single : B 61 SER OG : rot -87:sc= 1.26 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : B 71 TYR OH : rot 180:sc= 0 USER MOD Single : B 73 HIS : no HE2:sc= -0.715! C(o=-0.72!,f=-4.7!) USER MOD Single : B 80 HIS : no HD1:sc= -0.0727 K(o=-0.073,f=-3.1!) USER MOD Single : B 91 TYR OH : rot 30:sc= 1.24 USER MOD Single : B 92 ASN : amide:sc= -0.248 K(o=-0.25,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -6.383 -3.927 -9.432 1.00 0.00 N ATOM 2 CA ALA A 22 -6.509 -3.731 -7.971 1.00 0.00 C ATOM 3 C ALA A 22 -5.169 -3.313 -7.385 1.00 0.00 C ATOM 4 O ALA A 22 -4.152 -3.960 -7.629 1.00 0.00 O ATOM 5 CB ALA A 22 -7.012 -5.002 -7.307 1.00 0.00 C ATOM 0 HA ALA A 22 -7.234 -2.939 -7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.099 -4.841 -6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.988 -5.264 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.310 -5.814 -7.497 1.00 0.00 H new ATOM 13 N GLU A 23 -5.163 -2.226 -6.625 1.00 0.00 N ATOM 14 CA GLU A 23 -3.926 -1.710 -6.057 1.00 0.00 C ATOM 15 C GLU A 23 -4.041 -1.545 -4.545 1.00 0.00 C ATOM 16 O GLU A 23 -5.142 -1.533 -3.990 1.00 0.00 O ATOM 17 CB GLU A 23 -3.553 -0.381 -6.715 1.00 0.00 C ATOM 18 CG GLU A 23 -3.309 -0.506 -8.211 1.00 0.00 C ATOM 19 CD GLU A 23 -2.965 0.812 -8.864 1.00 0.00 C ATOM 20 OE1 GLU A 23 -3.875 1.644 -9.045 1.00 0.00 O ATOM 21 OE2 GLU A 23 -1.780 1.020 -9.212 1.00 0.00 O ATOM 0 H GLU A 23 -5.996 -1.687 -6.389 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.135 -2.433 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.351 0.340 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.656 0.015 -6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.498 -1.214 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.199 -0.919 -8.686 1.00 0.00 H new ATOM 28 N GLN A 24 -2.897 -1.420 -3.891 1.00 0.00 N ATOM 29 CA GLN A 24 -2.839 -1.353 -2.439 1.00 0.00 C ATOM 30 C GLN A 24 -2.573 0.076 -1.980 1.00 0.00 C ATOM 31 O GLN A 24 -1.592 0.690 -2.394 1.00 0.00 O ATOM 32 CB GLN A 24 -1.738 -2.287 -1.930 1.00 0.00 C ATOM 33 CG GLN A 24 -1.643 -2.372 -0.418 1.00 0.00 C ATOM 34 CD GLN A 24 -0.585 -3.358 0.036 1.00 0.00 C ATOM 35 OE1 GLN A 24 -0.294 -4.339 -0.653 1.00 0.00 O ATOM 36 NE2 GLN A 24 0.000 -3.101 1.195 1.00 0.00 N ATOM 0 H GLN A 24 -1.987 -1.362 -4.348 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.798 -1.669 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.912 -3.286 -2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.780 -1.949 -2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.415 -1.386 -0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.610 -2.667 -0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.272 -2.278 1.732 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.723 -3.726 1.551 1.00 0.00 H new ATOM 45 N VAL A 25 -3.451 0.598 -1.132 1.00 0.00 N ATOM 46 CA VAL A 25 -3.321 1.964 -0.624 1.00 0.00 C ATOM 47 C VAL A 25 -3.628 2.016 0.871 1.00 0.00 C ATOM 48 O VAL A 25 -4.177 1.062 1.434 1.00 0.00 O ATOM 49 CB VAL A 25 -4.264 2.946 -1.361 1.00 0.00 C ATOM 50 CG1 VAL A 25 -3.870 3.092 -2.823 1.00 0.00 C ATOM 51 CG2 VAL A 25 -5.714 2.498 -1.240 1.00 0.00 C ATOM 0 H VAL A 25 -4.265 0.096 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.290 2.268 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.165 3.922 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.550 3.788 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.851 3.473 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.927 2.120 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.358 3.203 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.827 1.507 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.997 2.463 -0.188 1.00 0.00 H new ATOM 61 N SER A 26 -3.275 3.122 1.516 1.00 0.00 N ATOM 62 CA SER A 26 -3.593 3.301 2.922 1.00 0.00 C ATOM 63 C SER A 26 -4.703 4.342 3.081 1.00 0.00 C ATOM 64 O SER A 26 -5.165 4.926 2.097 1.00 0.00 O ATOM 65 CB SER A 26 -2.343 3.685 3.732 1.00 0.00 C ATOM 66 OG SER A 26 -1.837 4.963 3.383 1.00 0.00 O ATOM 0 H SER A 26 -2.773 3.901 1.090 1.00 0.00 H new ATOM 0 HA SER A 26 -3.953 2.352 3.319 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.585 3.672 4.795 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.568 2.936 3.573 1.00 0.00 H new ATOM 0 HG SER A 26 -2.077 5.168 2.455 1.00 0.00 H new ATOM 72 N LYS A 27 -5.128 4.583 4.321 1.00 0.00 N ATOM 73 CA LYS A 27 -6.259 5.472 4.581 1.00 0.00 C ATOM 74 C LYS A 27 -5.935 6.924 4.232 1.00 0.00 C ATOM 75 O LYS A 27 -6.823 7.777 4.227 1.00 0.00 O ATOM 76 CB LYS A 27 -6.710 5.369 6.041 1.00 0.00 C ATOM 77 CG LYS A 27 -5.611 5.655 7.053 1.00 0.00 C ATOM 78 CD LYS A 27 -6.162 5.716 8.470 1.00 0.00 C ATOM 79 CE LYS A 27 -6.860 4.422 8.861 1.00 0.00 C ATOM 80 NZ LYS A 27 -7.422 4.493 10.231 1.00 0.00 N ATOM 0 H LYS A 27 -4.708 4.177 5.157 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.075 5.148 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.531 6.066 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.101 4.367 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.847 4.880 6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.126 6.600 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.349 5.916 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.863 6.546 8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.659 4.211 8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.153 3.595 8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.890 3.593 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.656 4.669 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.115 5.266 10.282 1.00 0.00 H new ATOM 94 N GLN A 28 -4.671 7.196 3.934 1.00 0.00 N ATOM 95 CA GLN A 28 -4.254 8.530 3.525 1.00 0.00 C ATOM 96 C GLN A 28 -4.796 8.828 2.133 1.00 0.00 C ATOM 97 O GLN A 28 -5.341 9.903 1.875 1.00 0.00 O ATOM 98 CB GLN A 28 -2.726 8.630 3.528 1.00 0.00 C ATOM 99 CG GLN A 28 -2.097 8.226 4.851 1.00 0.00 C ATOM 100 CD GLN A 28 -0.581 8.208 4.800 1.00 0.00 C ATOM 101 OE1 GLN A 28 0.080 9.203 5.108 1.00 0.00 O ATOM 102 NE2 GLN A 28 -0.023 7.078 4.395 1.00 0.00 N ATOM 0 H GLN A 28 -3.917 6.510 3.968 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.651 9.261 4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.326 7.997 2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.436 9.654 3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.422 8.917 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.458 7.237 5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.608 6.279 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.992 7.006 4.328 1.00 0.00 H new ATOM 111 N GLU A 29 -4.669 7.848 1.248 1.00 0.00 N ATOM 112 CA GLU A 29 -5.157 7.976 -0.114 1.00 0.00 C ATOM 113 C GLU A 29 -6.675 7.831 -0.131 1.00 0.00 C ATOM 114 O GLU A 29 -7.378 8.558 -0.835 1.00 0.00 O ATOM 115 CB GLU A 29 -4.519 6.915 -1.028 1.00 0.00 C ATOM 116 CG GLU A 29 -2.995 6.848 -0.950 1.00 0.00 C ATOM 117 CD GLU A 29 -2.493 5.874 0.106 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.690 6.134 1.309 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.904 4.837 -0.261 1.00 0.00 O ATOM 0 H GLU A 29 -4.229 6.951 1.453 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.881 8.961 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.927 5.938 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.809 7.119 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.600 6.555 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.604 7.842 -0.734 1.00 0.00 H new ATOM 126 N ILE A 30 -7.166 6.903 0.683 1.00 0.00 N ATOM 127 CA ILE A 30 -8.591 6.594 0.754 1.00 0.00 C ATOM 128 C ILE A 30 -9.424 7.816 1.137 1.00 0.00 C ATOM 129 O ILE A 30 -10.464 8.076 0.535 1.00 0.00 O ATOM 130 CB ILE A 30 -8.859 5.463 1.768 1.00 0.00 C ATOM 131 CG1 ILE A 30 -8.122 4.194 1.343 1.00 0.00 C ATOM 132 CG2 ILE A 30 -10.354 5.197 1.897 1.00 0.00 C ATOM 133 CD1 ILE A 30 -8.203 3.078 2.359 1.00 0.00 C ATOM 0 H ILE A 30 -6.589 6.344 1.312 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.889 6.271 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.486 5.775 2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.535 3.844 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.074 4.435 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.520 4.396 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.856 6.102 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.756 4.903 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.658 2.210 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.763 3.410 3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.247 2.809 2.521 1.00 0.00 H new ATOM 145 N SER A 31 -8.968 8.565 2.130 1.00 0.00 N ATOM 146 CA SER A 31 -9.721 9.712 2.611 1.00 0.00 C ATOM 147 C SER A 31 -9.565 10.907 1.671 1.00 0.00 C ATOM 148 O SER A 31 -10.501 11.685 1.483 1.00 0.00 O ATOM 149 CB SER A 31 -9.281 10.080 4.031 1.00 0.00 C ATOM 150 OG SER A 31 -7.877 10.265 4.101 1.00 0.00 O ATOM 0 H SER A 31 -8.086 8.400 2.615 1.00 0.00 H new ATOM 0 HA SER A 31 -10.776 9.441 2.633 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.787 10.993 4.346 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.582 9.293 4.723 1.00 0.00 H new ATOM 0 HG SER A 31 -7.439 9.398 4.231 1.00 0.00 H new ATOM 156 N HIS A 32 -8.389 11.038 1.066 1.00 0.00 N ATOM 157 CA HIS A 32 -8.109 12.173 0.195 1.00 0.00 C ATOM 158 C HIS A 32 -8.879 12.060 -1.119 1.00 0.00 C ATOM 159 O HIS A 32 -9.437 13.043 -1.601 1.00 0.00 O ATOM 160 CB HIS A 32 -6.607 12.289 -0.083 1.00 0.00 C ATOM 161 CG HIS A 32 -6.222 13.578 -0.747 1.00 0.00 C ATOM 162 ND1 HIS A 32 -5.883 13.672 -2.082 1.00 0.00 N ATOM 163 CD2 HIS A 32 -6.124 14.833 -0.248 1.00 0.00 C ATOM 164 CE1 HIS A 32 -5.594 14.929 -2.371 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.733 15.650 -1.277 1.00 0.00 N ATOM 0 H HIS A 32 -7.619 10.376 1.162 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.439 13.075 0.711 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.063 12.196 0.857 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.297 11.457 -0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.318 15.134 0.771 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.295 15.302 -3.339 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.575 16.655 -1.207 1.00 0.00 H new ATOM 174 N PHE A 33 -8.904 10.864 -1.696 1.00 0.00 N ATOM 175 CA PHE A 33 -9.607 10.648 -2.959 1.00 0.00 C ATOM 176 C PHE A 33 -11.060 10.259 -2.713 1.00 0.00 C ATOM 177 O PHE A 33 -11.878 10.279 -3.629 1.00 0.00 O ATOM 178 CB PHE A 33 -8.906 9.569 -3.791 1.00 0.00 C ATOM 179 CG PHE A 33 -7.530 9.961 -4.256 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.368 10.862 -5.298 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.401 9.432 -3.653 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.106 11.227 -5.728 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.136 9.792 -4.078 1.00 0.00 C ATOM 184 CZ PHE A 33 -4.989 10.691 -5.118 1.00 0.00 C ATOM 0 H PHE A 33 -8.450 10.034 -1.315 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.590 11.585 -3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.833 8.657 -3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.521 9.337 -4.660 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.238 11.283 -5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.510 8.729 -2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.994 11.930 -6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.264 9.372 -3.599 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.002 10.974 -5.453 1.00 0.00 H new ATOM 194 N LYS A 34 -11.360 9.912 -1.462 1.00 0.00 N ATOM 195 CA LYS A 34 -12.707 9.532 -1.036 1.00 0.00 C ATOM 196 C LYS A 34 -13.161 8.249 -1.733 1.00 0.00 C ATOM 197 O LYS A 34 -13.888 8.286 -2.730 1.00 0.00 O ATOM 198 CB LYS A 34 -13.711 10.667 -1.288 1.00 0.00 C ATOM 199 CG LYS A 34 -15.060 10.497 -0.590 1.00 0.00 C ATOM 200 CD LYS A 34 -14.985 10.835 0.897 1.00 0.00 C ATOM 201 CE LYS A 34 -14.661 9.621 1.757 1.00 0.00 C ATOM 202 NZ LYS A 34 -15.787 8.652 1.809 1.00 0.00 N ATOM 0 H LYS A 34 -10.671 9.886 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.672 9.344 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.265 11.607 -0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.881 10.751 -2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.799 11.138 -1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.403 9.469 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.225 11.600 1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.936 11.260 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.775 9.124 1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.419 9.948 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.641 7.992 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.681 9.165 1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.828 8.119 0.917 1.00 0.00 H new ATOM 216 N LEU A 35 -12.710 7.119 -1.212 1.00 0.00 N ATOM 217 CA LEU A 35 -13.067 5.820 -1.768 1.00 0.00 C ATOM 218 C LEU A 35 -14.257 5.229 -1.022 1.00 0.00 C ATOM 219 O LEU A 35 -14.451 5.498 0.166 1.00 0.00 O ATOM 220 CB LEU A 35 -11.873 4.866 -1.699 1.00 0.00 C ATOM 221 CG LEU A 35 -10.633 5.323 -2.471 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.487 4.344 -2.266 1.00 0.00 C ATOM 223 CD2 LEU A 35 -10.950 5.470 -3.953 1.00 0.00 C ATOM 0 H LEU A 35 -12.093 7.074 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.346 5.957 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.600 4.725 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.182 3.893 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.328 6.296 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.614 4.685 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.242 4.287 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.783 3.358 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.056 5.796 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.281 4.511 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.740 6.209 -4.084 1.00 0.00 H new ATOM 235 N VAL A 36 -15.046 4.421 -1.718 1.00 0.00 N ATOM 236 CA VAL A 36 -16.249 3.839 -1.137 1.00 0.00 C ATOM 237 C VAL A 36 -15.964 2.445 -0.589 1.00 0.00 C ATOM 238 O VAL A 36 -15.564 1.548 -1.330 1.00 0.00 O ATOM 239 CB VAL A 36 -17.390 3.756 -2.175 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.656 3.192 -1.544 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.660 5.121 -2.787 1.00 0.00 C ATOM 0 H VAL A 36 -14.874 4.153 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.563 4.491 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.076 3.080 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.446 3.143 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.457 2.191 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.973 3.838 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.467 5.040 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.948 5.821 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.759 5.482 -3.283 1.00 0.00 H new ATOM 251 N LYS A 37 -16.166 2.272 0.708 1.00 0.00 N ATOM 252 CA LYS A 37 -15.944 0.984 1.347 1.00 0.00 C ATOM 253 C LYS A 37 -17.071 0.017 1.005 1.00 0.00 C ATOM 254 O LYS A 37 -18.211 0.203 1.428 1.00 0.00 O ATOM 255 CB LYS A 37 -15.836 1.154 2.867 1.00 0.00 C ATOM 256 CG LYS A 37 -15.584 -0.145 3.621 1.00 0.00 C ATOM 257 CD LYS A 37 -15.491 0.096 5.119 1.00 0.00 C ATOM 258 CE LYS A 37 -15.357 -1.206 5.897 1.00 0.00 C ATOM 259 NZ LYS A 37 -14.077 -1.905 5.610 1.00 0.00 N ATOM 0 H LYS A 37 -16.483 3.008 1.339 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.007 0.572 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.028 1.852 3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.757 1.604 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.388 -0.851 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.660 -0.601 3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.634 0.735 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.379 0.631 5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.423 -0.997 6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.191 -1.863 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.074 -2.832 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.977 -2.038 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.283 -1.334 5.964 1.00 0.00 H new ATOM 273 N VAL A 38 -16.745 -1.001 0.222 1.00 0.00 N ATOM 274 CA VAL A 38 -17.713 -2.022 -0.152 1.00 0.00 C ATOM 275 C VAL A 38 -17.841 -3.049 0.964 1.00 0.00 C ATOM 276 O VAL A 38 -18.925 -3.561 1.245 1.00 0.00 O ATOM 277 CB VAL A 38 -17.297 -2.740 -1.456 1.00 0.00 C ATOM 278 CG1 VAL A 38 -18.348 -3.755 -1.881 1.00 0.00 C ATOM 279 CG2 VAL A 38 -17.050 -1.731 -2.564 1.00 0.00 C ATOM 0 H VAL A 38 -15.813 -1.142 -0.168 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.671 -1.529 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 38 -16.369 -3.278 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -18.029 -4.245 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.471 -4.501 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.297 -3.247 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.758 -2.255 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.962 -1.163 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.253 -1.050 -2.265 1.00 0.00 H new ATOM 289 N GLY A 39 -16.721 -3.333 1.608 1.00 0.00 N ATOM 290 CA GLY A 39 -16.707 -4.305 2.673 1.00 0.00 C ATOM 291 C GLY A 39 -15.307 -4.588 3.167 1.00 0.00 C ATOM 292 O GLY A 39 -14.399 -3.769 2.983 1.00 0.00 O ATOM 0 H GLY A 39 -15.817 -2.904 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.317 -3.944 3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -17.162 -5.232 2.323 1.00 0.00 H new ATOM 296 N THR A 40 -15.135 -5.739 3.788 1.00 0.00 N ATOM 297 CA THR A 40 -13.853 -6.139 4.337 1.00 0.00 C ATOM 298 C THR A 40 -13.594 -7.616 4.041 1.00 0.00 C ATOM 299 O THR A 40 -14.513 -8.437 4.094 1.00 0.00 O ATOM 300 CB THR A 40 -13.812 -5.894 5.862 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.255 -4.560 6.151 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.408 -6.092 6.419 1.00 0.00 C ATOM 0 H THR A 40 -15.879 -6.423 3.926 1.00 0.00 H new ATOM 0 HA THR A 40 -13.075 -5.537 3.868 1.00 0.00 H new ATOM 0 HB THR A 40 -14.474 -6.618 6.336 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.229 -4.409 7.119 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.414 -5.912 7.494 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.080 -7.113 6.224 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.724 -5.393 5.938 1.00 0.00 H new ATOM 310 N ILE A 41 -12.355 -7.943 3.708 1.00 0.00 N ATOM 311 CA ILE A 41 -11.970 -9.314 3.408 1.00 0.00 C ATOM 312 C ILE A 41 -10.854 -9.765 4.340 1.00 0.00 C ATOM 313 O ILE A 41 -10.063 -8.952 4.816 1.00 0.00 O ATOM 314 CB ILE A 41 -11.495 -9.476 1.946 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.384 -8.468 1.628 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.664 -9.318 0.982 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.803 -8.609 0.239 1.00 0.00 C ATOM 0 H ILE A 41 -11.592 -7.270 3.638 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.856 -9.932 3.554 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.089 -10.480 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.779 -7.459 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.583 -8.583 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.310 -9.435 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.416 -10.077 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.104 -8.328 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.024 -7.861 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.376 -9.605 0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.590 -8.463 -0.501 1.00 0.00 H new ATOM 329 N ASN A 42 -10.797 -11.056 4.605 1.00 0.00 N ATOM 330 CA ASN A 42 -9.755 -11.609 5.452 1.00 0.00 C ATOM 331 C ASN A 42 -9.241 -12.920 4.874 1.00 0.00 C ATOM 332 O ASN A 42 -10.010 -13.844 4.606 1.00 0.00 O ATOM 333 CB ASN A 42 -10.254 -11.806 6.893 1.00 0.00 C ATOM 334 CG ASN A 42 -11.433 -12.762 7.013 1.00 0.00 C ATOM 335 OD1 ASN A 42 -12.253 -12.892 6.102 1.00 0.00 O ATOM 336 ND2 ASN A 42 -11.533 -13.431 8.149 1.00 0.00 N ATOM 0 H ASN A 42 -11.460 -11.743 4.246 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.931 -10.897 5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.432 -12.180 7.504 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.541 -10.838 7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.307 -14.079 8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.836 -13.299 8.882 1.00 0.00 H new ATOM 343 N VAL A 43 -7.940 -12.986 4.664 1.00 0.00 N ATOM 344 CA VAL A 43 -7.318 -14.184 4.136 1.00 0.00 C ATOM 345 C VAL A 43 -6.654 -14.964 5.260 1.00 0.00 C ATOM 346 O VAL A 43 -5.575 -14.600 5.725 1.00 0.00 O ATOM 347 CB VAL A 43 -6.262 -13.854 3.057 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.660 -15.127 2.479 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.871 -13.005 1.952 1.00 0.00 C ATOM 0 H VAL A 43 -7.292 -12.221 4.852 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.103 -14.783 3.675 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.463 -13.283 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.920 -14.868 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.181 -15.697 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.448 -15.729 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.111 -12.784 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.693 -13.549 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.246 -12.073 2.374 1.00 0.00 H new ATOM 359 N SER A 44 -7.326 -16.006 5.716 1.00 0.00 N ATOM 360 CA SER A 44 -6.783 -16.877 6.739 1.00 0.00 C ATOM 361 C SER A 44 -6.342 -18.190 6.109 1.00 0.00 C ATOM 362 O SER A 44 -7.172 -18.972 5.643 1.00 0.00 O ATOM 363 CB SER A 44 -7.829 -17.124 7.826 1.00 0.00 C ATOM 364 OG SER A 44 -9.034 -17.621 7.269 1.00 0.00 O ATOM 0 H SER A 44 -8.256 -16.270 5.390 1.00 0.00 H new ATOM 0 HA SER A 44 -5.917 -16.400 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.440 -17.836 8.554 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.028 -16.196 8.362 1.00 0.00 H new ATOM 0 HG SER A 44 -8.826 -18.251 6.548 1.00 0.00 H new ATOM 370 N GLN A 45 -5.039 -18.419 6.081 1.00 0.00 N ATOM 371 CA GLN A 45 -4.487 -19.587 5.415 1.00 0.00 C ATOM 372 C GLN A 45 -3.436 -20.251 6.287 1.00 0.00 C ATOM 373 O GLN A 45 -2.538 -19.589 6.808 1.00 0.00 O ATOM 374 CB GLN A 45 -3.875 -19.197 4.066 1.00 0.00 C ATOM 375 CG GLN A 45 -4.893 -18.748 3.023 1.00 0.00 C ATOM 376 CD GLN A 45 -5.790 -19.876 2.538 1.00 0.00 C ATOM 377 OE1 GLN A 45 -6.101 -20.811 3.274 1.00 0.00 O ATOM 378 NE2 GLN A 45 -6.194 -19.806 1.281 1.00 0.00 N ATOM 0 H GLN A 45 -4.343 -17.810 6.512 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.298 -20.294 5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.156 -18.393 4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.320 -20.048 3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.512 -17.956 3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.366 -18.320 2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.917 -19.015 0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.783 -20.543 0.893 1.00 0.00 H new ATOM 387 N SER A 46 -3.549 -21.558 6.441 1.00 0.00 N ATOM 388 CA SER A 46 -2.624 -22.304 7.273 1.00 0.00 C ATOM 389 C SER A 46 -1.432 -22.801 6.457 1.00 0.00 C ATOM 390 O SER A 46 -1.390 -23.961 6.041 1.00 0.00 O ATOM 391 CB SER A 46 -3.350 -23.475 7.933 1.00 0.00 C ATOM 392 OG SER A 46 -4.500 -23.022 8.633 1.00 0.00 O ATOM 0 H SER A 46 -4.273 -22.125 6.000 1.00 0.00 H new ATOM 0 HA SER A 46 -2.242 -21.641 8.049 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.642 -24.202 7.175 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.677 -23.985 8.621 1.00 0.00 H new ATOM 0 HG SER A 46 -4.471 -22.046 8.713 1.00 0.00 H new ATOM 398 N GLY A 47 -0.485 -21.900 6.204 1.00 0.00 N ATOM 399 CA GLY A 47 0.740 -22.255 5.507 1.00 0.00 C ATOM 400 C GLY A 47 0.533 -22.580 4.037 1.00 0.00 C ATOM 401 O GLY A 47 -0.585 -22.862 3.602 1.00 0.00 O ATOM 0 H GLY A 47 -0.547 -20.918 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.448 -21.431 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.192 -23.115 6.000 1.00 0.00 H new ATOM 405 N GLY A 48 1.616 -22.522 3.267 1.00 0.00 N ATOM 406 CA GLY A 48 1.566 -22.896 1.864 1.00 0.00 C ATOM 407 C GLY A 48 0.919 -21.842 0.987 1.00 0.00 C ATOM 408 O GLY A 48 1.553 -21.309 0.077 1.00 0.00 O ATOM 0 H GLY A 48 2.534 -22.220 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.579 -23.083 1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.015 -23.831 1.763 1.00 0.00 H new ATOM 412 N GLN A 49 -0.344 -21.550 1.270 1.00 0.00 N ATOM 413 CA GLN A 49 -1.132 -20.613 0.479 1.00 0.00 C ATOM 414 C GLN A 49 -0.486 -19.230 0.451 1.00 0.00 C ATOM 415 O GLN A 49 -0.452 -18.570 -0.585 1.00 0.00 O ATOM 416 CB GLN A 49 -2.542 -20.515 1.059 1.00 0.00 C ATOM 417 CG GLN A 49 -3.259 -21.853 1.186 1.00 0.00 C ATOM 418 CD GLN A 49 -3.700 -22.428 -0.149 1.00 0.00 C ATOM 419 OE1 GLN A 49 -3.069 -22.203 -1.182 1.00 0.00 O ATOM 420 NE2 GLN A 49 -4.798 -23.169 -0.135 1.00 0.00 N ATOM 0 H GLN A 49 -0.852 -21.957 2.056 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.178 -20.984 -0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.486 -20.050 2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.137 -19.855 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.599 -22.566 1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.132 -21.730 1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.292 -23.332 0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.149 -23.577 -1.002 1.00 0.00 H new ATOM 429 N ILE A 50 0.013 -18.795 1.600 1.00 0.00 N ATOM 430 CA ILE A 50 0.703 -17.518 1.704 1.00 0.00 C ATOM 431 C ILE A 50 2.144 -17.754 2.139 1.00 0.00 C ATOM 432 O ILE A 50 2.399 -18.119 3.287 1.00 0.00 O ATOM 433 CB ILE A 50 0.015 -16.564 2.714 1.00 0.00 C ATOM 434 CG1 ILE A 50 -1.468 -16.373 2.365 1.00 0.00 C ATOM 435 CG2 ILE A 50 0.730 -15.217 2.751 1.00 0.00 C ATOM 436 CD1 ILE A 50 -1.708 -15.735 1.012 1.00 0.00 C ATOM 0 H ILE A 50 -0.048 -19.312 2.477 1.00 0.00 H new ATOM 0 HA ILE A 50 0.671 -17.045 0.722 1.00 0.00 H new ATOM 0 HB ILE A 50 0.077 -17.018 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.964 -17.343 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.935 -15.756 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.233 -14.561 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.767 -15.364 3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.702 -14.763 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.780 -15.635 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.243 -14.749 0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.273 -16.361 0.232 1.00 0.00 H new ATOM 448 N SER A 51 3.078 -17.577 1.218 1.00 0.00 N ATOM 449 CA SER A 51 4.483 -17.803 1.516 1.00 0.00 C ATOM 450 C SER A 51 5.306 -16.563 1.168 1.00 0.00 C ATOM 451 O SER A 51 6.183 -16.148 1.927 1.00 0.00 O ATOM 452 CB SER A 51 4.985 -19.029 0.744 1.00 0.00 C ATOM 453 OG SER A 51 6.282 -19.425 1.167 1.00 0.00 O ATOM 0 H SER A 51 2.889 -17.279 0.261 1.00 0.00 H new ATOM 0 HA SER A 51 4.598 -17.994 2.583 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.289 -19.856 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.003 -18.804 -0.322 1.00 0.00 H new ATOM 0 HG SER A 51 6.568 -20.210 0.654 1.00 0.00 H new ATOM 459 N SER A 52 5.011 -15.971 0.021 1.00 0.00 N ATOM 460 CA SER A 52 5.693 -14.769 -0.424 1.00 0.00 C ATOM 461 C SER A 52 4.731 -13.577 -0.420 1.00 0.00 C ATOM 462 O SER A 52 3.510 -13.757 -0.386 1.00 0.00 O ATOM 463 CB SER A 52 6.253 -14.991 -1.834 1.00 0.00 C ATOM 464 OG SER A 52 7.145 -16.094 -1.863 1.00 0.00 O ATOM 0 H SER A 52 4.296 -16.309 -0.623 1.00 0.00 H new ATOM 0 HA SER A 52 6.513 -14.551 0.260 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.433 -15.164 -2.531 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.771 -14.092 -2.168 1.00 0.00 H new ATOM 0 HG SER A 52 7.486 -16.215 -2.774 1.00 0.00 H new ATOM 470 N PRO A 53 5.265 -12.339 -0.447 1.00 0.00 N ATOM 471 CA PRO A 53 4.443 -11.124 -0.534 1.00 0.00 C ATOM 472 C PRO A 53 3.522 -11.152 -1.753 1.00 0.00 C ATOM 473 O PRO A 53 2.440 -10.560 -1.745 1.00 0.00 O ATOM 474 CB PRO A 53 5.470 -9.997 -0.667 1.00 0.00 C ATOM 475 CG PRO A 53 6.724 -10.550 -0.084 1.00 0.00 C ATOM 476 CD PRO A 53 6.704 -12.022 -0.378 1.00 0.00 C ATOM 0 HA PRO A 53 3.787 -11.010 0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.611 -9.712 -1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.147 -9.103 -0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.601 -10.076 -0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.769 -10.367 0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.211 -12.251 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.204 -12.594 0.403 1.00 0.00 H new ATOM 484 N SER A 54 3.968 -11.849 -2.792 1.00 0.00 N ATOM 485 CA SER A 54 3.185 -12.025 -4.005 1.00 0.00 C ATOM 486 C SER A 54 1.849 -12.701 -3.701 1.00 0.00 C ATOM 487 O SER A 54 0.795 -12.198 -4.090 1.00 0.00 O ATOM 488 CB SER A 54 3.981 -12.856 -5.010 1.00 0.00 C ATOM 489 OG SER A 54 5.277 -12.309 -5.198 1.00 0.00 O ATOM 0 H SER A 54 4.880 -12.306 -2.815 1.00 0.00 H new ATOM 0 HA SER A 54 2.975 -11.044 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.062 -13.884 -4.656 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.452 -12.888 -5.963 1.00 0.00 H new ATOM 0 HG SER A 54 5.772 -12.855 -5.843 1.00 0.00 H new ATOM 495 N ASP A 55 1.900 -13.824 -2.982 1.00 0.00 N ATOM 496 CA ASP A 55 0.693 -14.568 -2.623 1.00 0.00 C ATOM 497 C ASP A 55 -0.242 -13.674 -1.829 1.00 0.00 C ATOM 498 O ASP A 55 -1.443 -13.608 -2.098 1.00 0.00 O ATOM 499 CB ASP A 55 1.023 -15.800 -1.771 1.00 0.00 C ATOM 500 CG ASP A 55 2.142 -16.649 -2.336 1.00 0.00 C ATOM 501 OD1 ASP A 55 2.018 -17.127 -3.481 1.00 0.00 O ATOM 502 OD2 ASP A 55 3.154 -16.832 -1.629 1.00 0.00 O ATOM 0 H ASP A 55 2.766 -14.238 -2.637 1.00 0.00 H new ATOM 0 HA ASP A 55 0.221 -14.895 -3.549 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.297 -15.474 -0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.127 -16.413 -1.673 1.00 0.00 H new ATOM 507 N LEU A 56 0.343 -12.987 -0.854 1.00 0.00 N ATOM 508 CA LEU A 56 -0.388 -12.093 0.034 1.00 0.00 C ATOM 509 C LEU A 56 -1.221 -11.080 -0.749 1.00 0.00 C ATOM 510 O LEU A 56 -2.449 -11.057 -0.646 1.00 0.00 O ATOM 511 CB LEU A 56 0.604 -11.359 0.942 1.00 0.00 C ATOM 512 CG LEU A 56 -0.012 -10.341 1.901 1.00 0.00 C ATOM 513 CD1 LEU A 56 -0.942 -11.032 2.881 1.00 0.00 C ATOM 514 CD2 LEU A 56 1.079 -9.582 2.641 1.00 0.00 C ATOM 0 H LEU A 56 1.343 -13.035 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.073 -12.692 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.151 -12.099 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.333 -10.846 0.315 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.595 -9.626 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.372 -10.293 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.741 -11.532 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.381 -11.768 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.624 -8.861 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.688 -10.284 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.708 -9.057 1.922 1.00 0.00 H new ATOM 526 N ARG A 57 -0.549 -10.263 -1.547 1.00 0.00 N ATOM 527 CA ARG A 57 -1.208 -9.171 -2.250 1.00 0.00 C ATOM 528 C ARG A 57 -2.162 -9.694 -3.321 1.00 0.00 C ATOM 529 O ARG A 57 -3.174 -9.060 -3.616 1.00 0.00 O ATOM 530 CB ARG A 57 -0.168 -8.236 -2.879 1.00 0.00 C ATOM 531 CG ARG A 57 0.864 -7.724 -1.885 1.00 0.00 C ATOM 532 CD ARG A 57 1.843 -6.758 -2.533 1.00 0.00 C ATOM 533 NE ARG A 57 1.239 -5.451 -2.793 1.00 0.00 N ATOM 534 CZ ARG A 57 1.477 -4.717 -3.884 1.00 0.00 C ATOM 535 NH1 ARG A 57 2.261 -5.183 -4.852 1.00 0.00 N ATOM 536 NH2 ARG A 57 0.929 -3.517 -4.008 1.00 0.00 N ATOM 0 H ARG A 57 0.453 -10.335 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.794 -8.612 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.344 -8.763 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.680 -7.386 -3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.357 -7.227 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.411 -8.567 -1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.710 -6.633 -1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.204 -7.183 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 57 0.595 -5.076 -2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.685 -6.106 -4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.438 -4.617 -5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.325 -3.153 -3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.111 -2.957 -4.841 1.00 0.00 H new ATOM 550 N GLU A 58 -1.845 -10.860 -3.878 1.00 0.00 N ATOM 551 CA GLU A 58 -2.651 -11.448 -4.945 1.00 0.00 C ATOM 552 C GLU A 58 -3.977 -11.983 -4.407 1.00 0.00 C ATOM 553 O GLU A 58 -5.013 -11.867 -5.058 1.00 0.00 O ATOM 554 CB GLU A 58 -1.872 -12.569 -5.638 1.00 0.00 C ATOM 555 CG GLU A 58 -2.606 -13.192 -6.811 1.00 0.00 C ATOM 556 CD GLU A 58 -1.796 -14.269 -7.493 1.00 0.00 C ATOM 557 OE1 GLU A 58 -1.831 -15.428 -7.030 1.00 0.00 O ATOM 558 OE2 GLU A 58 -1.122 -13.968 -8.499 1.00 0.00 O ATOM 0 H GLU A 58 -1.035 -11.417 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.873 -10.665 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.918 -12.173 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.647 -13.347 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.548 -13.616 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.854 -12.415 -7.534 1.00 0.00 H new ATOM 565 N LYS A 59 -3.948 -12.573 -3.220 1.00 0.00 N ATOM 566 CA LYS A 59 -5.170 -13.082 -2.608 1.00 0.00 C ATOM 567 C LYS A 59 -6.072 -11.938 -2.175 1.00 0.00 C ATOM 568 O LYS A 59 -7.299 -12.050 -2.216 1.00 0.00 O ATOM 569 CB LYS A 59 -4.851 -13.987 -1.419 1.00 0.00 C ATOM 570 CG LYS A 59 -4.341 -15.358 -1.827 1.00 0.00 C ATOM 571 CD LYS A 59 -5.384 -16.125 -2.630 1.00 0.00 C ATOM 572 CE LYS A 59 -6.623 -16.423 -1.796 1.00 0.00 C ATOM 573 NZ LYS A 59 -7.633 -17.207 -2.552 1.00 0.00 N ATOM 0 H LYS A 59 -3.103 -12.711 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.697 -13.674 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.104 -13.501 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.748 -14.107 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.433 -15.248 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.074 -15.928 -0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.667 -15.545 -3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.953 -17.059 -2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.333 -16.974 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.068 -15.486 -1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.261 -17.699 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.194 -16.566 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.151 -17.906 -3.153 1.00 0.00 H new ATOM 587 N LEU A 60 -5.458 -10.837 -1.770 1.00 0.00 N ATOM 588 CA LEU A 60 -6.203 -9.653 -1.381 1.00 0.00 C ATOM 589 C LEU A 60 -6.891 -9.032 -2.591 1.00 0.00 C ATOM 590 O LEU A 60 -8.070 -8.692 -2.533 1.00 0.00 O ATOM 591 CB LEU A 60 -5.276 -8.638 -0.713 1.00 0.00 C ATOM 592 CG LEU A 60 -4.622 -9.119 0.582 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.638 -8.083 1.095 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.677 -9.418 1.635 1.00 0.00 C ATOM 0 H LEU A 60 -4.445 -10.740 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.970 -9.947 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.492 -8.364 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.845 -7.733 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.077 -10.039 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.181 -8.441 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.863 -7.916 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.163 -7.148 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.192 -9.759 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.250 -8.514 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.347 -10.195 1.268 1.00 0.00 H new ATOM 606 N SER A 61 -6.159 -8.906 -3.692 1.00 0.00 N ATOM 607 CA SER A 61 -6.721 -8.337 -4.908 1.00 0.00 C ATOM 608 C SER A 61 -7.808 -9.249 -5.476 1.00 0.00 C ATOM 609 O SER A 61 -8.827 -8.773 -5.978 1.00 0.00 O ATOM 610 CB SER A 61 -5.618 -8.094 -5.944 1.00 0.00 C ATOM 611 OG SER A 61 -4.869 -9.271 -6.185 1.00 0.00 O ATOM 0 H SER A 61 -5.182 -9.188 -3.766 1.00 0.00 H new ATOM 0 HA SER A 61 -7.177 -7.378 -4.663 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.062 -7.746 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.954 -7.304 -5.593 1.00 0.00 H new ATOM 0 HG SER A 61 -5.163 -9.977 -5.573 1.00 0.00 H new ATOM 617 N GLU A 62 -7.590 -10.559 -5.370 1.00 0.00 N ATOM 618 CA GLU A 62 -8.556 -11.548 -5.837 1.00 0.00 C ATOM 619 C GLU A 62 -9.903 -11.365 -5.144 1.00 0.00 C ATOM 620 O GLU A 62 -10.939 -11.218 -5.799 1.00 0.00 O ATOM 621 CB GLU A 62 -8.032 -12.962 -5.577 1.00 0.00 C ATOM 622 CG GLU A 62 -9.002 -14.058 -5.986 1.00 0.00 C ATOM 623 CD GLU A 62 -8.539 -15.434 -5.563 1.00 0.00 C ATOM 624 OE1 GLU A 62 -7.799 -16.082 -6.329 1.00 0.00 O ATOM 625 OE2 GLU A 62 -8.914 -15.882 -4.458 1.00 0.00 O ATOM 0 H GLU A 62 -6.746 -10.961 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.694 -11.405 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.095 -13.098 -6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.806 -13.067 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.979 -13.856 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.130 -14.039 -7.068 1.00 0.00 H new ATOM 632 N LEU A 63 -9.879 -11.363 -3.816 1.00 0.00 N ATOM 633 CA LEU A 63 -11.100 -11.249 -3.032 1.00 0.00 C ATOM 634 C LEU A 63 -11.699 -9.851 -3.156 1.00 0.00 C ATOM 635 O LEU A 63 -12.917 -9.678 -3.070 1.00 0.00 O ATOM 636 CB LEU A 63 -10.824 -11.584 -1.566 1.00 0.00 C ATOM 637 CG LEU A 63 -10.311 -13.003 -1.312 1.00 0.00 C ATOM 638 CD1 LEU A 63 -10.033 -13.214 0.167 1.00 0.00 C ATOM 639 CD2 LEU A 63 -11.312 -14.034 -1.818 1.00 0.00 C ATOM 0 H LEU A 63 -9.027 -11.439 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.824 -11.964 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.093 -10.875 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.742 -11.438 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.378 -13.132 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.669 -14.229 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.279 -12.501 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.951 -13.064 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.929 -15.037 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.262 -13.904 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.462 -13.900 -2.889 1.00 0.00 H new ATOM 651 N ALA A 64 -10.841 -8.860 -3.366 1.00 0.00 N ATOM 652 CA ALA A 64 -11.294 -7.492 -3.570 1.00 0.00 C ATOM 653 C ALA A 64 -12.061 -7.375 -4.880 1.00 0.00 C ATOM 654 O ALA A 64 -13.106 -6.731 -4.940 1.00 0.00 O ATOM 655 CB ALA A 64 -10.117 -6.526 -3.556 1.00 0.00 C ATOM 0 H ALA A 64 -9.829 -8.979 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.963 -7.228 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.479 -5.509 -3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.607 -6.588 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.421 -6.788 -4.353 1.00 0.00 H new ATOM 661 N ASP A 65 -11.551 -8.019 -5.922 1.00 0.00 N ATOM 662 CA ASP A 65 -12.196 -7.987 -7.231 1.00 0.00 C ATOM 663 C ASP A 65 -13.505 -8.769 -7.203 1.00 0.00 C ATOM 664 O ASP A 65 -14.462 -8.421 -7.892 1.00 0.00 O ATOM 665 CB ASP A 65 -11.272 -8.557 -8.308 1.00 0.00 C ATOM 666 CG ASP A 65 -11.838 -8.384 -9.703 1.00 0.00 C ATOM 667 OD1 ASP A 65 -11.687 -7.286 -10.277 1.00 0.00 O ATOM 668 OD2 ASP A 65 -12.433 -9.340 -10.238 1.00 0.00 O ATOM 0 H ASP A 65 -10.693 -8.570 -5.888 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.411 -6.946 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.302 -8.064 -8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.104 -9.617 -8.116 1.00 0.00 H new ATOM 673 N ALA A 66 -13.538 -9.820 -6.390 1.00 0.00 N ATOM 674 CA ALA A 66 -14.743 -10.624 -6.223 1.00 0.00 C ATOM 675 C ALA A 66 -15.871 -9.784 -5.632 1.00 0.00 C ATOM 676 O ALA A 66 -17.002 -9.810 -6.121 1.00 0.00 O ATOM 677 CB ALA A 66 -14.457 -11.830 -5.341 1.00 0.00 C ATOM 0 H ALA A 66 -12.742 -10.135 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 66 -15.059 -10.980 -7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.366 -12.420 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.683 -12.443 -5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.117 -11.492 -4.362 1.00 0.00 H new ATOM 683 N LYS A 67 -15.556 -9.047 -4.572 1.00 0.00 N ATOM 684 CA LYS A 67 -16.508 -8.125 -3.966 1.00 0.00 C ATOM 685 C LYS A 67 -16.809 -6.955 -4.896 1.00 0.00 C ATOM 686 O LYS A 67 -17.941 -6.476 -4.959 1.00 0.00 O ATOM 687 CB LYS A 67 -15.959 -7.610 -2.636 1.00 0.00 C ATOM 688 CG LYS A 67 -16.056 -8.625 -1.512 1.00 0.00 C ATOM 689 CD LYS A 67 -17.492 -8.777 -1.041 1.00 0.00 C ATOM 690 CE LYS A 67 -17.623 -9.843 0.031 1.00 0.00 C ATOM 691 NZ LYS A 67 -17.628 -11.217 -0.537 1.00 0.00 N ATOM 0 H LYS A 67 -14.645 -9.071 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.439 -8.664 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.916 -7.324 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.503 -6.710 -2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.677 -9.588 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.427 -8.312 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.850 -7.824 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.127 -9.034 -1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.799 -9.747 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.544 -9.681 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.719 -11.910 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.429 -11.319 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.739 -11.384 -1.050 1.00 0.00 H new ATOM 705 N GLY A 68 -15.793 -6.500 -5.610 1.00 0.00 N ATOM 706 CA GLY A 68 -15.963 -5.391 -6.521 1.00 0.00 C ATOM 707 C GLY A 68 -15.241 -4.153 -6.039 1.00 0.00 C ATOM 708 O GLY A 68 -15.866 -3.152 -5.688 1.00 0.00 O ATOM 0 H GLY A 68 -14.848 -6.882 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.589 -5.669 -7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.025 -5.172 -6.633 1.00 0.00 H new ATOM 712 N GLY A 69 -13.921 -4.223 -6.003 1.00 0.00 N ATOM 713 CA GLY A 69 -13.136 -3.101 -5.547 1.00 0.00 C ATOM 714 C GLY A 69 -11.971 -2.796 -6.462 1.00 0.00 C ATOM 715 O GLY A 69 -11.524 -3.654 -7.225 1.00 0.00 O ATOM 0 H GLY A 69 -13.379 -5.040 -6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.775 -2.221 -5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.761 -3.308 -4.545 1.00 0.00 H new ATOM 719 N LYS A 70 -11.487 -1.567 -6.390 1.00 0.00 N ATOM 720 CA LYS A 70 -10.341 -1.141 -7.179 1.00 0.00 C ATOM 721 C LYS A 70 -9.095 -1.096 -6.309 1.00 0.00 C ATOM 722 O LYS A 70 -7.987 -1.382 -6.764 1.00 0.00 O ATOM 723 CB LYS A 70 -10.601 0.239 -7.784 1.00 0.00 C ATOM 724 CG LYS A 70 -11.683 0.252 -8.851 1.00 0.00 C ATOM 725 CD LYS A 70 -12.022 1.672 -9.266 1.00 0.00 C ATOM 726 CE LYS A 70 -12.917 1.701 -10.494 1.00 0.00 C ATOM 727 NZ LYS A 70 -12.195 1.274 -11.722 1.00 0.00 N ATOM 0 H LYS A 70 -11.874 -0.840 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.186 -1.858 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.883 0.927 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.674 0.615 -8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.348 -0.314 -9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.577 -0.243 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.519 2.183 -8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.103 2.220 -9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.775 1.048 -10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.306 2.709 -10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.770 1.499 -12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.286 1.775 -11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.024 0.249 -11.685 1.00 0.00 H new ATOM 741 N TYR A 71 -9.288 -0.744 -5.047 1.00 0.00 N ATOM 742 CA TYR A 71 -8.187 -0.620 -4.109 1.00 0.00 C ATOM 743 C TYR A 71 -8.479 -1.432 -2.857 1.00 0.00 C ATOM 744 O TYR A 71 -9.637 -1.570 -2.458 1.00 0.00 O ATOM 745 CB TYR A 71 -7.969 0.849 -3.726 1.00 0.00 C ATOM 746 CG TYR A 71 -7.771 1.775 -4.906 1.00 0.00 C ATOM 747 CD1 TYR A 71 -6.518 1.945 -5.483 1.00 0.00 C ATOM 748 CD2 TYR A 71 -8.841 2.480 -5.444 1.00 0.00 C ATOM 749 CE1 TYR A 71 -6.338 2.791 -6.560 1.00 0.00 C ATOM 750 CE2 TYR A 71 -8.669 3.326 -6.520 1.00 0.00 C ATOM 751 CZ TYR A 71 -7.417 3.479 -7.075 1.00 0.00 C ATOM 752 OH TYR A 71 -7.245 4.324 -8.151 1.00 0.00 O ATOM 0 H TYR A 71 -10.204 -0.538 -4.649 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.283 -0.998 -4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.827 1.193 -3.148 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.098 0.917 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.671 1.407 -5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -9.824 2.364 -5.012 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.358 2.913 -6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.512 3.866 -6.926 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.105 4.729 -8.390 1.00 0.00 H new ATOM 762 N TYR A 72 -7.437 -1.970 -2.245 1.00 0.00 N ATOM 763 CA TYR A 72 -7.593 -2.705 -1.001 1.00 0.00 C ATOM 764 C TYR A 72 -6.672 -2.141 0.075 1.00 0.00 C ATOM 765 O TYR A 72 -5.542 -1.729 -0.202 1.00 0.00 O ATOM 766 CB TYR A 72 -7.361 -4.212 -1.202 1.00 0.00 C ATOM 767 CG TYR A 72 -6.067 -4.578 -1.901 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.996 -4.624 -3.289 1.00 0.00 C ATOM 769 CD2 TYR A 72 -4.924 -4.893 -1.177 1.00 0.00 C ATOM 770 CE1 TYR A 72 -4.826 -4.970 -3.933 1.00 0.00 C ATOM 771 CE2 TYR A 72 -3.749 -5.242 -1.816 1.00 0.00 C ATOM 772 CZ TYR A 72 -3.706 -5.278 -3.193 1.00 0.00 C ATOM 773 OH TYR A 72 -2.539 -5.622 -3.835 1.00 0.00 O ATOM 0 H TYR A 72 -6.478 -1.912 -2.588 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.623 -2.581 -0.666 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.379 -4.699 -0.227 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.193 -4.618 -1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.872 -4.385 -3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.954 -4.865 -0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.789 -4.999 -5.012 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.869 -5.485 -1.239 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.772 -5.351 -3.288 1.00 0.00 H new ATOM 783 N HIS A 73 -7.179 -2.108 1.297 1.00 0.00 N ATOM 784 CA HIS A 73 -6.458 -1.522 2.419 1.00 0.00 C ATOM 785 C HIS A 73 -6.229 -2.552 3.516 1.00 0.00 C ATOM 786 O HIS A 73 -7.165 -2.948 4.203 1.00 0.00 O ATOM 787 CB HIS A 73 -7.247 -0.328 2.973 1.00 0.00 C ATOM 788 CG HIS A 73 -6.692 0.255 4.240 1.00 0.00 C ATOM 789 ND1 HIS A 73 -7.441 0.415 5.387 1.00 0.00 N ATOM 790 CD2 HIS A 73 -5.457 0.728 4.535 1.00 0.00 C ATOM 791 CE1 HIS A 73 -6.695 0.961 6.326 1.00 0.00 C ATOM 792 NE2 HIS A 73 -5.487 1.160 5.837 1.00 0.00 N ATOM 0 H HIS A 73 -8.096 -2.484 1.540 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.485 -1.181 2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.280 0.453 2.213 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.275 -0.641 3.153 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.421 0.151 5.492 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.607 0.759 3.869 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.019 1.204 7.327 1.00 0.00 H new ATOM 801 N ILE A 74 -4.987 -2.984 3.673 1.00 0.00 N ATOM 802 CA ILE A 74 -4.640 -3.924 4.729 1.00 0.00 C ATOM 803 C ILE A 74 -4.690 -3.227 6.084 1.00 0.00 C ATOM 804 O ILE A 74 -3.974 -2.251 6.313 1.00 0.00 O ATOM 805 CB ILE A 74 -3.230 -4.520 4.524 1.00 0.00 C ATOM 806 CG1 ILE A 74 -3.094 -5.101 3.116 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.952 -5.593 5.570 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.710 -5.634 2.812 1.00 0.00 C ATOM 0 H ILE A 74 -4.204 -2.700 3.084 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.367 -4.736 4.694 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.497 -3.722 4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.819 -5.905 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.345 -4.330 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.955 -6.004 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.011 -5.154 6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.691 -6.389 5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.688 -6.030 1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.982 -4.828 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.463 -6.428 3.517 1.00 0.00 H new ATOM 820 N ILE A 75 -5.547 -3.712 6.971 1.00 0.00 N ATOM 821 CA ILE A 75 -5.662 -3.132 8.301 1.00 0.00 C ATOM 822 C ILE A 75 -4.898 -3.963 9.322 1.00 0.00 C ATOM 823 O ILE A 75 -4.382 -3.434 10.308 1.00 0.00 O ATOM 824 CB ILE A 75 -7.135 -2.988 8.751 1.00 0.00 C ATOM 825 CG1 ILE A 75 -7.854 -4.341 8.727 1.00 0.00 C ATOM 826 CG2 ILE A 75 -7.858 -1.984 7.869 1.00 0.00 C ATOM 827 CD1 ILE A 75 -9.280 -4.278 9.232 1.00 0.00 C ATOM 0 H ILE A 75 -6.169 -4.501 6.795 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.227 -2.134 8.245 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.143 -2.623 9.778 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.855 -4.724 7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.293 -5.052 9.334 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.894 -1.892 8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.366 -1.014 7.943 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.833 -2.325 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.726 -5.271 9.186 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.286 -3.925 10.263 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.856 -3.592 8.611 1.00 0.00 H new ATOM 839 N ALA A 76 -4.818 -5.266 9.078 1.00 0.00 N ATOM 840 CA ALA A 76 -4.145 -6.169 9.997 1.00 0.00 C ATOM 841 C ALA A 76 -3.633 -7.409 9.278 1.00 0.00 C ATOM 842 O ALA A 76 -4.413 -8.226 8.794 1.00 0.00 O ATOM 843 CB ALA A 76 -5.083 -6.573 11.125 1.00 0.00 C ATOM 0 H ALA A 76 -5.211 -5.718 8.252 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.289 -5.640 10.416 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.565 -7.249 11.805 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.401 -5.684 11.670 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.956 -7.076 10.710 1.00 0.00 H new ATOM 849 N ALA A 77 -2.321 -7.527 9.193 1.00 0.00 N ATOM 850 CA ALA A 77 -1.694 -8.737 8.691 1.00 0.00 C ATOM 851 C ALA A 77 -1.083 -9.489 9.860 1.00 0.00 C ATOM 852 O ALA A 77 0.079 -9.280 10.216 1.00 0.00 O ATOM 853 CB ALA A 77 -0.646 -8.415 7.637 1.00 0.00 C ATOM 0 H ALA A 77 -1.665 -6.795 9.467 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.445 -9.363 8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.193 -9.340 7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.117 -7.895 6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.125 -7.779 8.072 1.00 0.00 H new ATOM 859 N ARG A 78 -1.887 -10.334 10.481 1.00 0.00 N ATOM 860 CA ARG A 78 -1.501 -10.982 11.721 1.00 0.00 C ATOM 861 C ARG A 78 -1.148 -12.443 11.490 1.00 0.00 C ATOM 862 O ARG A 78 -1.607 -13.065 10.531 1.00 0.00 O ATOM 863 CB ARG A 78 -2.625 -10.861 12.754 1.00 0.00 C ATOM 864 CG ARG A 78 -3.927 -11.526 12.336 1.00 0.00 C ATOM 865 CD ARG A 78 -5.016 -11.317 13.375 1.00 0.00 C ATOM 866 NE ARG A 78 -6.237 -12.052 13.046 1.00 0.00 N ATOM 867 CZ ARG A 78 -7.341 -12.035 13.790 1.00 0.00 C ATOM 868 NH1 ARG A 78 -7.386 -11.331 14.913 1.00 0.00 N ATOM 869 NH2 ARG A 78 -8.394 -12.748 13.422 1.00 0.00 N ATOM 0 H ARG A 78 -2.816 -10.588 10.144 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.613 -10.479 12.104 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.290 -11.301 13.693 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.814 -9.805 12.947 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.253 -11.120 11.378 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.761 -12.593 12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.652 -11.638 14.351 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.243 -10.254 13.453 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.243 -12.612 12.194 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.571 -10.797 15.213 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.236 -11.324 15.477 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.358 -13.308 12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.241 -12.737 13.990 1.00 0.00 H new ATOM 883 N GLU A 79 -0.339 -12.983 12.380 1.00 0.00 N ATOM 884 CA GLU A 79 0.135 -14.348 12.259 1.00 0.00 C ATOM 885 C GLU A 79 -0.264 -15.151 13.491 1.00 0.00 C ATOM 886 O GLU A 79 -0.036 -14.716 14.619 1.00 0.00 O ATOM 887 CB GLU A 79 1.655 -14.343 12.101 1.00 0.00 C ATOM 888 CG GLU A 79 2.259 -15.709 11.833 1.00 0.00 C ATOM 889 CD GLU A 79 3.770 -15.678 11.878 1.00 0.00 C ATOM 890 OE1 GLU A 79 4.390 -15.151 10.930 1.00 0.00 O ATOM 891 OE2 GLU A 79 4.348 -16.164 12.872 1.00 0.00 O ATOM 0 H GLU A 79 0.007 -12.491 13.204 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.316 -14.812 11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.921 -13.674 11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.101 -13.932 13.007 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.889 -16.420 12.571 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.932 -16.065 10.856 1.00 0.00 H new ATOM 898 N HIS A 80 -0.880 -16.303 13.275 1.00 0.00 N ATOM 899 CA HIS A 80 -1.240 -17.190 14.372 1.00 0.00 C ATOM 900 C HIS A 80 -0.686 -18.581 14.123 1.00 0.00 C ATOM 901 O HIS A 80 -1.395 -19.471 13.648 1.00 0.00 O ATOM 902 CB HIS A 80 -2.760 -17.267 14.560 1.00 0.00 C ATOM 903 CG HIS A 80 -3.386 -15.988 15.018 1.00 0.00 C ATOM 904 ND1 HIS A 80 -2.897 -15.240 16.064 1.00 0.00 N ATOM 905 CD2 HIS A 80 -4.474 -15.328 14.567 1.00 0.00 C ATOM 906 CE1 HIS A 80 -3.660 -14.179 16.236 1.00 0.00 C ATOM 907 NE2 HIS A 80 -4.630 -14.206 15.342 1.00 0.00 N ATOM 0 H HIS A 80 -1.141 -16.646 12.351 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.805 -16.780 15.284 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.217 -17.565 13.616 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.986 -18.049 15.285 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.107 -15.629 13.745 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.515 -13.414 16.985 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.370 -13.511 15.244 1.00 0.00 H new ATOM 916 N GLY A 81 0.597 -18.754 14.399 1.00 0.00 N ATOM 917 CA GLY A 81 1.224 -20.034 14.174 1.00 0.00 C ATOM 918 C GLY A 81 1.442 -20.274 12.699 1.00 0.00 C ATOM 919 O GLY A 81 2.063 -19.454 12.023 1.00 0.00 O ATOM 0 H GLY A 81 1.212 -18.032 14.774 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.179 -20.073 14.698 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.601 -20.827 14.588 1.00 0.00 H new ATOM 923 N PRO A 82 0.929 -21.386 12.166 1.00 0.00 N ATOM 924 CA PRO A 82 0.975 -21.659 10.734 1.00 0.00 C ATOM 925 C PRO A 82 -0.135 -20.934 9.978 1.00 0.00 C ATOM 926 O PRO A 82 -0.094 -20.811 8.757 1.00 0.00 O ATOM 927 CB PRO A 82 0.776 -23.172 10.668 1.00 0.00 C ATOM 928 CG PRO A 82 -0.063 -23.497 11.858 1.00 0.00 C ATOM 929 CD PRO A 82 0.283 -22.480 12.919 1.00 0.00 C ATOM 0 HA PRO A 82 1.901 -21.317 10.272 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.281 -23.466 9.742 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.730 -23.698 10.701 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.123 -23.452 11.609 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.139 -24.509 12.210 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.607 -22.132 13.444 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.953 -22.898 13.670 1.00 0.00 H new ATOM 937 N ASN A 83 -1.125 -20.440 10.713 1.00 0.00 N ATOM 938 CA ASN A 83 -2.273 -19.785 10.101 1.00 0.00 C ATOM 939 C ASN A 83 -2.069 -18.279 10.051 1.00 0.00 C ATOM 940 O ASN A 83 -2.104 -17.596 11.076 1.00 0.00 O ATOM 941 CB ASN A 83 -3.558 -20.124 10.862 1.00 0.00 C ATOM 942 CG ASN A 83 -4.795 -19.487 10.252 1.00 0.00 C ATOM 943 OD1 ASN A 83 -5.410 -20.045 9.342 1.00 0.00 O ATOM 944 ND2 ASN A 83 -5.180 -18.327 10.760 1.00 0.00 N ATOM 0 H ASN A 83 -1.155 -20.481 11.732 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.369 -20.154 9.080 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.686 -21.206 10.883 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.459 -19.794 11.896 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.013 -17.863 10.398 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.643 -17.897 11.513 1.00 0.00 H new ATOM 951 N PHE A 84 -1.843 -17.776 8.853 1.00 0.00 N ATOM 952 CA PHE A 84 -1.645 -16.353 8.644 1.00 0.00 C ATOM 953 C PHE A 84 -2.970 -15.708 8.252 1.00 0.00 C ATOM 954 O PHE A 84 -3.741 -16.286 7.484 1.00 0.00 O ATOM 955 CB PHE A 84 -0.590 -16.128 7.556 1.00 0.00 C ATOM 956 CG PHE A 84 -0.277 -14.683 7.296 1.00 0.00 C ATOM 957 CD1 PHE A 84 0.586 -13.985 8.127 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.845 -14.022 6.221 1.00 0.00 C ATOM 959 CE1 PHE A 84 0.874 -12.655 7.888 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.561 -12.694 5.977 1.00 0.00 C ATOM 961 CZ PHE A 84 0.300 -12.009 6.811 1.00 0.00 C ATOM 0 H PHE A 84 -1.791 -18.336 8.002 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.290 -15.893 9.566 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.328 -16.642 7.843 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.936 -16.586 6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.038 -14.486 8.970 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.519 -14.552 5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.547 -12.121 8.543 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.012 -12.191 5.134 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.524 -10.970 6.621 1.00 0.00 H new ATOM 971 N GLU A 85 -3.239 -14.526 8.791 1.00 0.00 N ATOM 972 CA GLU A 85 -4.486 -13.829 8.513 1.00 0.00 C ATOM 973 C GLU A 85 -4.230 -12.419 8.004 1.00 0.00 C ATOM 974 O GLU A 85 -3.739 -11.557 8.736 1.00 0.00 O ATOM 975 CB GLU A 85 -5.363 -13.769 9.760 1.00 0.00 C ATOM 976 CG GLU A 85 -5.944 -15.110 10.165 1.00 0.00 C ATOM 977 CD GLU A 85 -6.840 -15.004 11.377 1.00 0.00 C ATOM 978 OE1 GLU A 85 -7.831 -14.247 11.320 1.00 0.00 O ATOM 979 OE2 GLU A 85 -6.556 -15.669 12.387 1.00 0.00 O ATOM 0 H GLU A 85 -2.610 -14.031 9.423 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.005 -14.391 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.775 -13.374 10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.179 -13.068 9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.511 -15.524 9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.132 -15.806 10.376 1.00 0.00 H new ATOM 986 N ALA A 86 -4.565 -12.192 6.748 1.00 0.00 N ATOM 987 CA ALA A 86 -4.446 -10.877 6.147 1.00 0.00 C ATOM 988 C ALA A 86 -5.816 -10.234 6.006 1.00 0.00 C ATOM 989 O ALA A 86 -6.609 -10.627 5.150 1.00 0.00 O ATOM 990 CB ALA A 86 -3.764 -10.972 4.794 1.00 0.00 C ATOM 0 H ALA A 86 -4.925 -12.909 6.119 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.835 -10.252 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.683 -9.977 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.768 -11.396 4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.351 -11.611 4.135 1.00 0.00 H new ATOM 996 N VAL A 87 -6.103 -9.271 6.864 1.00 0.00 N ATOM 997 CA VAL A 87 -7.381 -8.582 6.834 1.00 0.00 C ATOM 998 C VAL A 87 -7.248 -7.257 6.089 1.00 0.00 C ATOM 999 O VAL A 87 -6.465 -6.384 6.482 1.00 0.00 O ATOM 1000 CB VAL A 87 -7.922 -8.321 8.256 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -9.347 -7.795 8.200 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -7.849 -9.587 9.101 1.00 0.00 C ATOM 0 H VAL A 87 -5.466 -8.948 7.592 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.088 -9.228 6.314 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.296 -7.562 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.709 -7.618 9.213 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.368 -6.861 7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.987 -8.528 7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.235 -9.381 10.099 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.447 -10.370 8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.813 -9.917 9.174 1.00 0.00 H new ATOM 1012 N ALA A 88 -8.011 -7.117 5.017 1.00 0.00 N ATOM 1013 CA ALA A 88 -7.963 -5.925 4.189 1.00 0.00 C ATOM 1014 C ALA A 88 -9.370 -5.443 3.863 1.00 0.00 C ATOM 1015 O ALA A 88 -10.321 -6.214 3.893 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.185 -6.199 2.910 1.00 0.00 C ATOM 0 H ALA A 88 -8.676 -7.822 4.699 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.451 -5.139 4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.158 -5.296 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.167 -6.498 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.672 -6.999 2.352 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.495 -4.166 3.555 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.786 -3.590 3.221 1.00 0.00 C ATOM 1024 C GLU A 89 -10.911 -3.419 1.713 1.00 0.00 C ATOM 1025 O GLU A 89 -9.925 -3.147 1.031 1.00 0.00 O ATOM 1026 CB GLU A 89 -10.951 -2.235 3.899 1.00 0.00 C ATOM 1027 CG GLU A 89 -10.684 -2.259 5.393 1.00 0.00 C ATOM 1028 CD GLU A 89 -10.882 -0.901 6.026 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -10.009 -0.024 5.848 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -11.924 -0.702 6.687 1.00 0.00 O ATOM 0 H GLU A 89 -8.718 -3.506 3.529 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.566 -4.265 3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.275 -1.520 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.965 -1.874 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.348 -2.981 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.664 -2.598 5.573 1.00 0.00 H new ATOM 1037 N VAL A 90 -12.126 -3.572 1.206 1.00 0.00 N ATOM 1038 CA VAL A 90 -12.386 -3.434 -0.222 1.00 0.00 C ATOM 1039 C VAL A 90 -13.001 -2.071 -0.519 1.00 0.00 C ATOM 1040 O VAL A 90 -14.052 -1.724 0.028 1.00 0.00 O ATOM 1041 CB VAL A 90 -13.334 -4.543 -0.727 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.570 -4.417 -2.224 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.778 -5.916 -0.387 1.00 0.00 C ATOM 0 H VAL A 90 -12.951 -3.793 1.764 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.432 -3.526 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.293 -4.424 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -14.241 -5.210 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -14.019 -3.448 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.620 -4.503 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.460 -6.685 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.804 -6.041 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.671 -6.008 0.694 1.00 0.00 H new ATOM 1053 N TYR A 91 -12.342 -1.297 -1.372 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.824 0.032 -1.723 1.00 0.00 C ATOM 1055 C TYR A 91 -13.099 0.151 -3.218 1.00 0.00 C ATOM 1056 O TYR A 91 -12.290 -0.259 -4.054 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.819 1.102 -1.287 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.756 1.296 0.211 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -12.605 2.193 0.847 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -10.856 0.582 0.989 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -12.559 2.373 2.215 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -10.806 0.755 2.359 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.659 1.651 2.966 1.00 0.00 C ATOM 1064 OH TYR A 91 -11.616 1.824 4.331 1.00 0.00 O ATOM 0 H TYR A 91 -11.473 -1.567 -1.833 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.764 0.190 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.829 0.829 -1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.082 2.049 -1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.314 2.760 0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.184 -0.120 0.517 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.225 3.076 2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -10.101 0.190 2.952 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.886 1.289 4.706 1.00 0.00 H new ATOM 1074 N ASN A 92 -14.253 0.716 -3.538 1.00 0.00 N ATOM 1075 CA ASN A 92 -14.656 0.941 -4.920 1.00 0.00 C ATOM 1076 C ASN A 92 -14.638 2.441 -5.208 1.00 0.00 C ATOM 1077 O ASN A 92 -14.482 3.250 -4.291 1.00 0.00 O ATOM 1078 CB ASN A 92 -16.063 0.364 -5.157 1.00 0.00 C ATOM 1079 CG ASN A 92 -16.448 0.267 -6.629 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -16.980 1.210 -7.212 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -16.214 -0.887 -7.230 1.00 0.00 N ATOM 0 H ASN A 92 -14.936 1.031 -2.849 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.961 0.438 -5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.118 -0.629 -4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.793 0.987 -4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.477 -1.016 -8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.771 -1.649 -6.717 1.00 0.00 H new ATOM 1088 N ASP A 93 -14.791 2.805 -6.470 1.00 0.00 N ATOM 1089 CA ASP A 93 -14.802 4.207 -6.870 1.00 0.00 C ATOM 1090 C ASP A 93 -16.189 4.795 -6.627 1.00 0.00 C ATOM 1091 O ASP A 93 -17.177 4.057 -6.585 1.00 0.00 O ATOM 1092 CB ASP A 93 -14.432 4.321 -8.353 1.00 0.00 C ATOM 1093 CG ASP A 93 -14.124 5.742 -8.787 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -15.070 6.526 -9.006 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -12.931 6.073 -8.938 1.00 0.00 O ATOM 0 H ASP A 93 -14.910 2.147 -7.241 1.00 0.00 H new ATOM 0 HA ASP A 93 -14.073 4.762 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.565 3.691 -8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.253 3.934 -8.956 1.00 0.00 H new ATOM 1100 N ALA A 94 -16.268 6.108 -6.462 1.00 0.00 N ATOM 1101 CA ALA A 94 -17.549 6.774 -6.264 1.00 0.00 C ATOM 1102 C ALA A 94 -18.333 6.812 -7.574 1.00 0.00 C ATOM 1103 O ALA A 94 -18.401 7.840 -8.252 1.00 0.00 O ATOM 1104 CB ALA A 94 -17.345 8.178 -5.710 1.00 0.00 C ATOM 0 H ALA A 94 -15.462 6.733 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 94 -18.127 6.207 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -18.313 8.658 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -16.827 8.120 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.749 8.763 -6.411 1.00 0.00 H new ATOM 1290 N ALA B 22 9.433 -1.269 -8.064 1.00 0.00 N ATOM 1291 CA ALA B 22 9.196 -0.957 -6.636 1.00 0.00 C ATOM 1292 C ALA B 22 7.704 -0.850 -6.354 1.00 0.00 C ATOM 1293 O ALA B 22 6.953 -0.316 -7.167 1.00 0.00 O ATOM 1294 CB ALA B 22 9.900 0.336 -6.251 1.00 0.00 C ATOM 0 HA ALA B 22 9.605 -1.768 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA B 22 9.716 0.551 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA B 22 10.972 0.230 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA B 22 9.517 1.154 -6.861 1.00 0.00 H new ATOM 1302 N GLU B 23 7.275 -1.358 -5.203 1.00 0.00 N ATOM 1303 CA GLU B 23 5.868 -1.299 -4.828 1.00 0.00 C ATOM 1304 C GLU B 23 5.698 -0.911 -3.366 1.00 0.00 C ATOM 1305 O GLU B 23 6.638 -1.007 -2.575 1.00 0.00 O ATOM 1306 CB GLU B 23 5.177 -2.631 -5.109 1.00 0.00 C ATOM 1307 CG GLU B 23 4.178 -2.553 -6.251 1.00 0.00 C ATOM 1308 CD GLU B 23 2.970 -1.699 -5.912 1.00 0.00 C ATOM 1309 OE1 GLU B 23 3.143 -0.549 -5.455 1.00 0.00 O ATOM 1310 OE2 GLU B 23 1.834 -2.175 -6.106 1.00 0.00 O ATOM 0 H GLU B 23 7.878 -1.813 -4.518 1.00 0.00 H new ATOM 0 HA GLU B 23 5.397 -0.527 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.931 -3.382 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU B 23 4.664 -2.965 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU B 23 4.671 -2.144 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU B 23 3.847 -3.559 -6.508 1.00 0.00 H new ATOM 1317 N GLN B 24 4.500 -0.463 -3.016 1.00 0.00 N ATOM 1318 CA GLN B 24 4.229 0.007 -1.667 1.00 0.00 C ATOM 1319 C GLN B 24 3.578 -1.076 -0.818 1.00 0.00 C ATOM 1320 O GLN B 24 2.732 -1.838 -1.288 1.00 0.00 O ATOM 1321 CB GLN B 24 3.349 1.263 -1.686 1.00 0.00 C ATOM 1322 CG GLN B 24 1.964 1.052 -2.272 1.00 0.00 C ATOM 1323 CD GLN B 24 1.174 2.344 -2.375 1.00 0.00 C ATOM 1324 OE1 GLN B 24 1.236 3.040 -3.387 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.426 2.669 -1.332 1.00 0.00 N ATOM 0 H GLN B 24 3.701 -0.416 -3.649 1.00 0.00 H new ATOM 0 HA GLN B 24 5.189 0.261 -1.217 1.00 0.00 H new ATOM 0 HB2 GLN B 24 3.246 1.634 -0.666 1.00 0.00 H new ATOM 0 HB3 GLN B 24 3.858 2.039 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN B 24 2.056 0.606 -3.262 1.00 0.00 H new ATOM 0 HG3 GLN B 24 1.415 0.343 -1.653 1.00 0.00 H new ATOM 0 HE21 GLN B 24 0.403 2.063 -0.512 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.128 3.525 -1.349 1.00 0.00 H new ATOM 1334 N VAL B 25 3.998 -1.133 0.436 1.00 0.00 N ATOM 1335 CA VAL B 25 3.439 -2.066 1.405 1.00 0.00 C ATOM 1336 C VAL B 25 2.981 -1.306 2.644 1.00 0.00 C ATOM 1337 O VAL B 25 3.244 -0.104 2.776 1.00 0.00 O ATOM 1338 CB VAL B 25 4.466 -3.144 1.818 1.00 0.00 C ATOM 1339 CG1 VAL B 25 4.817 -4.035 0.637 1.00 0.00 C ATOM 1340 CG2 VAL B 25 5.719 -2.504 2.395 1.00 0.00 C ATOM 0 H VAL B 25 4.735 -0.536 0.811 1.00 0.00 H new ATOM 0 HA VAL B 25 2.592 -2.566 0.935 1.00 0.00 H new ATOM 0 HB VAL B 25 4.012 -3.764 2.591 1.00 0.00 H new ATOM 0 HG11 VAL B 25 5.541 -4.786 0.951 1.00 0.00 H new ATOM 0 HG12 VAL B 25 3.916 -4.529 0.274 1.00 0.00 H new ATOM 0 HG13 VAL B 25 5.246 -3.429 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL B 25 6.427 -3.282 2.679 1.00 0.00 H new ATOM 0 HG22 VAL B 25 6.174 -1.855 1.647 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.455 -1.916 3.274 1.00 0.00 H new ATOM 1350 N SER B 26 2.304 -1.990 3.551 1.00 0.00 N ATOM 1351 CA SER B 26 1.838 -1.365 4.770 1.00 0.00 C ATOM 1352 C SER B 26 2.825 -1.638 5.903 1.00 0.00 C ATOM 1353 O SER B 26 3.779 -2.405 5.741 1.00 0.00 O ATOM 1354 CB SER B 26 0.445 -1.885 5.127 1.00 0.00 C ATOM 1355 OG SER B 26 -0.388 -1.930 3.981 1.00 0.00 O ATOM 0 H SER B 26 2.067 -2.978 3.463 1.00 0.00 H new ATOM 0 HA SER B 26 1.773 -0.287 4.619 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.525 -2.881 5.562 1.00 0.00 H new ATOM 0 HB3 SER B 26 -0.005 -1.242 5.883 1.00 0.00 H new ATOM 0 HG SER B 26 -1.320 -1.792 4.249 1.00 0.00 H new ATOM 1361 N LYS B 27 2.580 -1.020 7.049 1.00 0.00 N ATOM 1362 CA LYS B 27 3.476 -1.124 8.196 1.00 0.00 C ATOM 1363 C LYS B 27 3.540 -2.569 8.698 1.00 0.00 C ATOM 1364 O LYS B 27 4.497 -2.976 9.366 1.00 0.00 O ATOM 1365 CB LYS B 27 2.988 -0.165 9.291 1.00 0.00 C ATOM 1366 CG LYS B 27 3.932 0.003 10.471 1.00 0.00 C ATOM 1367 CD LYS B 27 3.583 -0.936 11.612 1.00 0.00 C ATOM 1368 CE LYS B 27 4.430 -0.657 12.842 1.00 0.00 C ATOM 1369 NZ LYS B 27 4.264 0.739 13.329 1.00 0.00 N ATOM 0 H LYS B 27 1.760 -0.435 7.212 1.00 0.00 H new ATOM 0 HA LYS B 27 4.488 -0.842 7.906 1.00 0.00 H new ATOM 0 HB2 LYS B 27 2.813 0.813 8.844 1.00 0.00 H new ATOM 0 HB3 LYS B 27 2.027 -0.522 9.662 1.00 0.00 H new ATOM 0 HG2 LYS B 27 4.956 -0.184 10.147 1.00 0.00 H new ATOM 0 HG3 LYS B 27 3.893 1.034 10.824 1.00 0.00 H new ATOM 0 HD2 LYS B 27 2.528 -0.828 11.863 1.00 0.00 H new ATOM 0 HD3 LYS B 27 3.731 -1.968 11.294 1.00 0.00 H new ATOM 0 HE2 LYS B 27 4.157 -1.353 13.636 1.00 0.00 H new ATOM 0 HE3 LYS B 27 5.479 -0.837 12.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 4.600 0.806 14.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 4.817 1.384 12.729 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 3.259 1.004 13.288 1.00 0.00 H new ATOM 1383 N GLN B 28 2.526 -3.345 8.343 1.00 0.00 N ATOM 1384 CA GLN B 28 2.437 -4.736 8.750 1.00 0.00 C ATOM 1385 C GLN B 28 3.453 -5.590 7.995 1.00 0.00 C ATOM 1386 O GLN B 28 4.080 -6.480 8.576 1.00 0.00 O ATOM 1387 CB GLN B 28 1.022 -5.283 8.521 1.00 0.00 C ATOM 1388 CG GLN B 28 -0.073 -4.544 9.285 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.509 -3.254 8.612 1.00 0.00 C ATOM 1390 OE1 GLN B 28 0.031 -2.182 8.875 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -1.487 -3.357 7.728 1.00 0.00 N ATOM 0 H GLN B 28 1.746 -3.028 7.767 1.00 0.00 H new ATOM 0 HA GLN B 28 2.663 -4.785 9.815 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.797 -5.239 7.455 1.00 0.00 H new ATOM 0 HB3 GLN B 28 1.002 -6.334 8.808 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -0.937 -5.200 9.393 1.00 0.00 H new ATOM 0 HG3 GLN B 28 0.283 -4.319 10.290 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -1.909 -4.266 7.538 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -1.819 -2.528 7.236 1.00 0.00 H new ATOM 1400 N GLU B 29 3.623 -5.320 6.705 1.00 0.00 N ATOM 1401 CA GLU B 29 4.549 -6.094 5.889 1.00 0.00 C ATOM 1402 C GLU B 29 5.986 -5.720 6.222 1.00 0.00 C ATOM 1403 O GLU B 29 6.853 -6.586 6.332 1.00 0.00 O ATOM 1404 CB GLU B 29 4.296 -5.884 4.390 1.00 0.00 C ATOM 1405 CG GLU B 29 2.881 -6.219 3.940 1.00 0.00 C ATOM 1406 CD GLU B 29 1.958 -5.019 3.977 1.00 0.00 C ATOM 1407 OE1 GLU B 29 1.614 -4.561 5.081 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.591 -4.511 2.896 1.00 0.00 O ATOM 0 H GLU B 29 3.135 -4.576 6.206 1.00 0.00 H new ATOM 0 HA GLU B 29 4.383 -7.147 6.117 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.508 -4.844 4.140 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.999 -6.497 3.826 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.911 -6.618 2.926 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.477 -7.004 4.580 1.00 0.00 H new ATOM 1415 N ILE B 30 6.221 -4.425 6.403 1.00 0.00 N ATOM 1416 CA ILE B 30 7.555 -3.910 6.700 1.00 0.00 C ATOM 1417 C ILE B 30 8.153 -4.594 7.929 1.00 0.00 C ATOM 1418 O ILE B 30 9.306 -5.031 7.914 1.00 0.00 O ATOM 1419 CB ILE B 30 7.518 -2.385 6.934 1.00 0.00 C ATOM 1420 CG1 ILE B 30 6.904 -1.684 5.722 1.00 0.00 C ATOM 1421 CG2 ILE B 30 8.920 -1.850 7.207 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.686 -0.200 5.916 1.00 0.00 C ATOM 0 H ILE B 30 5.499 -3.707 6.349 1.00 0.00 H new ATOM 0 HA ILE B 30 8.183 -4.126 5.835 1.00 0.00 H new ATOM 0 HB ILE B 30 6.900 -2.181 7.808 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.553 -1.836 4.860 1.00 0.00 H new ATOM 0 HG13 ILE B 30 5.949 -2.154 5.489 1.00 0.00 H new ATOM 0 HG21 ILE B 30 8.873 -0.773 7.369 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.327 -2.334 8.095 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.563 -2.060 6.352 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.248 0.225 5.013 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.012 -0.038 6.757 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.641 0.285 6.118 1.00 0.00 H new ATOM 1434 N SER B 31 7.354 -4.708 8.979 1.00 0.00 N ATOM 1435 CA SER B 31 7.818 -5.290 10.230 1.00 0.00 C ATOM 1436 C SER B 31 7.912 -6.815 10.143 1.00 0.00 C ATOM 1437 O SER B 31 8.830 -7.423 10.692 1.00 0.00 O ATOM 1438 CB SER B 31 6.887 -4.868 11.371 1.00 0.00 C ATOM 1439 OG SER B 31 5.525 -5.012 10.997 1.00 0.00 O ATOM 0 H SER B 31 6.380 -4.405 8.990 1.00 0.00 H new ATOM 0 HA SER B 31 8.823 -4.917 10.429 1.00 0.00 H new ATOM 0 HB2 SER B 31 7.091 -5.473 12.254 1.00 0.00 H new ATOM 0 HB3 SER B 31 7.086 -3.831 11.642 1.00 0.00 H new ATOM 0 HG SER B 31 5.223 -4.198 10.542 1.00 0.00 H new ATOM 1445 N HIS B 32 6.974 -7.435 9.435 1.00 0.00 N ATOM 1446 CA HIS B 32 6.927 -8.893 9.358 1.00 0.00 C ATOM 1447 C HIS B 32 8.037 -9.429 8.458 1.00 0.00 C ATOM 1448 O HIS B 32 8.658 -10.440 8.773 1.00 0.00 O ATOM 1449 CB HIS B 32 5.559 -9.367 8.848 1.00 0.00 C ATOM 1450 CG HIS B 32 5.316 -10.842 9.024 1.00 0.00 C ATOM 1451 ND1 HIS B 32 5.664 -11.786 8.081 1.00 0.00 N ATOM 1452 CD2 HIS B 32 4.734 -11.530 10.038 1.00 0.00 C ATOM 1453 CE1 HIS B 32 5.304 -12.985 8.505 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.741 -12.859 9.688 1.00 0.00 N ATOM 0 H HIS B 32 6.242 -6.957 8.910 1.00 0.00 H new ATOM 0 HA HIS B 32 7.079 -9.284 10.364 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.777 -8.816 9.371 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.471 -9.119 7.790 1.00 0.00 H new ATOM 0 HD2 HIS B 32 4.338 -11.111 10.951 1.00 0.00 H new ATOM 0 HE1 HIS B 32 5.448 -13.912 7.970 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.370 -13.623 10.253 1.00 0.00 H new ATOM 1463 N PHE B 33 8.291 -8.744 7.349 1.00 0.00 N ATOM 1464 CA PHE B 33 9.281 -9.205 6.378 1.00 0.00 C ATOM 1465 C PHE B 33 10.663 -8.614 6.651 1.00 0.00 C ATOM 1466 O PHE B 33 11.652 -9.069 6.075 1.00 0.00 O ATOM 1467 CB PHE B 33 8.837 -8.861 4.953 1.00 0.00 C ATOM 1468 CG PHE B 33 7.645 -9.649 4.483 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.814 -10.882 3.872 1.00 0.00 C ATOM 1470 CD2 PHE B 33 6.359 -9.161 4.652 1.00 0.00 C ATOM 1471 CE1 PHE B 33 6.722 -11.612 3.439 1.00 0.00 C ATOM 1472 CE2 PHE B 33 5.265 -9.886 4.221 1.00 0.00 C ATOM 1473 CZ PHE B 33 5.446 -11.113 3.614 1.00 0.00 C ATOM 0 H PHE B 33 7.828 -7.870 7.099 1.00 0.00 H new ATOM 0 HA PHE B 33 9.354 -10.288 6.480 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.601 -7.798 4.902 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.669 -9.036 4.271 1.00 0.00 H new ATOM 0 HD1 PHE B 33 8.810 -11.277 3.733 1.00 0.00 H new ATOM 0 HD2 PHE B 33 6.210 -8.202 5.126 1.00 0.00 H new ATOM 0 HE1 PHE B 33 6.867 -12.571 2.964 1.00 0.00 H new ATOM 0 HE2 PHE B 33 4.268 -9.493 4.359 1.00 0.00 H new ATOM 0 HZ PHE B 33 4.592 -11.681 3.277 1.00 0.00 H new ATOM 1483 N LYS B 34 10.717 -7.607 7.527 1.00 0.00 N ATOM 1484 CA LYS B 34 11.976 -6.953 7.906 1.00 0.00 C ATOM 1485 C LYS B 34 12.575 -6.194 6.726 1.00 0.00 C ATOM 1486 O LYS B 34 13.548 -6.637 6.114 1.00 0.00 O ATOM 1487 CB LYS B 34 13.001 -7.962 8.449 1.00 0.00 C ATOM 1488 CG LYS B 34 12.526 -8.740 9.666 1.00 0.00 C ATOM 1489 CD LYS B 34 12.271 -7.829 10.855 1.00 0.00 C ATOM 1490 CE LYS B 34 11.783 -8.621 12.058 1.00 0.00 C ATOM 1491 NZ LYS B 34 10.523 -9.350 11.763 1.00 0.00 N ATOM 0 H LYS B 34 9.895 -7.222 7.992 1.00 0.00 H new ATOM 0 HA LYS B 34 11.739 -6.245 8.701 1.00 0.00 H new ATOM 0 HB2 LYS B 34 13.254 -8.667 7.657 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.917 -7.430 8.707 1.00 0.00 H new ATOM 0 HG2 LYS B 34 11.611 -9.279 9.418 1.00 0.00 H new ATOM 0 HG3 LYS B 34 13.273 -9.487 9.934 1.00 0.00 H new ATOM 0 HD2 LYS B 34 13.187 -7.298 11.113 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.530 -7.075 10.587 1.00 0.00 H new ATOM 0 HE2 LYS B 34 12.552 -9.332 12.362 1.00 0.00 H new ATOM 0 HE3 LYS B 34 11.624 -7.945 12.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 10.019 -9.546 12.651 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 9.922 -8.768 11.146 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 10.744 -10.247 11.285 1.00 0.00 H new ATOM 1505 N LEU B 35 11.983 -5.054 6.400 1.00 0.00 N ATOM 1506 CA LEU B 35 12.462 -4.243 5.291 1.00 0.00 C ATOM 1507 C LEU B 35 13.500 -3.233 5.767 1.00 0.00 C ATOM 1508 O LEU B 35 13.351 -2.620 6.829 1.00 0.00 O ATOM 1509 CB LEU B 35 11.297 -3.526 4.607 1.00 0.00 C ATOM 1510 CG LEU B 35 10.238 -4.449 3.999 1.00 0.00 C ATOM 1511 CD1 LEU B 35 9.155 -3.636 3.311 1.00 0.00 C ATOM 1512 CD2 LEU B 35 10.876 -5.425 3.021 1.00 0.00 C ATOM 0 H LEU B 35 11.172 -4.671 6.886 1.00 0.00 H new ATOM 0 HA LEU B 35 12.936 -4.906 4.567 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.814 -2.873 5.334 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.695 -2.886 3.819 1.00 0.00 H new ATOM 0 HG LEU B 35 9.779 -5.022 4.804 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.411 -4.309 2.885 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.677 -2.979 4.037 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.599 -3.036 2.517 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.107 -6.073 2.599 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.363 -4.870 2.219 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.615 -6.032 3.543 1.00 0.00 H new ATOM 1524 N VAL B 36 14.548 -3.064 4.976 1.00 0.00 N ATOM 1525 CA VAL B 36 15.644 -2.175 5.327 1.00 0.00 C ATOM 1526 C VAL B 36 15.474 -0.821 4.644 1.00 0.00 C ATOM 1527 O VAL B 36 15.383 -0.740 3.421 1.00 0.00 O ATOM 1528 CB VAL B 36 17.004 -2.787 4.925 1.00 0.00 C ATOM 1529 CG1 VAL B 36 18.153 -1.897 5.367 1.00 0.00 C ATOM 1530 CG2 VAL B 36 17.157 -4.186 5.507 1.00 0.00 C ATOM 0 H VAL B 36 14.663 -3.536 4.079 1.00 0.00 H new ATOM 0 HA VAL B 36 15.626 -2.038 6.408 1.00 0.00 H new ATOM 0 HB VAL B 36 17.032 -2.861 3.838 1.00 0.00 H new ATOM 0 HG11 VAL B 36 19.099 -2.351 5.072 1.00 0.00 H new ATOM 0 HG12 VAL B 36 18.057 -0.919 4.896 1.00 0.00 H new ATOM 0 HG13 VAL B 36 18.128 -1.782 6.451 1.00 0.00 H new ATOM 0 HG21 VAL B 36 18.122 -4.599 5.212 1.00 0.00 H new ATOM 0 HG22 VAL B 36 17.101 -4.136 6.594 1.00 0.00 H new ATOM 0 HG23 VAL B 36 16.358 -4.826 5.132 1.00 0.00 H new ATOM 1540 N LYS B 37 15.417 0.237 5.440 1.00 0.00 N ATOM 1541 CA LYS B 37 15.240 1.583 4.911 1.00 0.00 C ATOM 1542 C LYS B 37 16.523 2.085 4.252 1.00 0.00 C ATOM 1543 O LYS B 37 17.571 2.178 4.891 1.00 0.00 O ATOM 1544 CB LYS B 37 14.805 2.539 6.024 1.00 0.00 C ATOM 1545 CG LYS B 37 14.713 3.991 5.584 1.00 0.00 C ATOM 1546 CD LYS B 37 14.155 4.872 6.689 1.00 0.00 C ATOM 1547 CE LYS B 37 14.207 6.342 6.310 1.00 0.00 C ATOM 1548 NZ LYS B 37 15.602 6.849 6.233 1.00 0.00 N ATOM 0 H LYS B 37 15.491 0.190 6.456 1.00 0.00 H new ATOM 0 HA LYS B 37 14.459 1.549 4.151 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.834 2.222 6.404 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.511 2.464 6.851 1.00 0.00 H new ATOM 0 HG2 LYS B 37 15.702 4.349 5.296 1.00 0.00 H new ATOM 0 HG3 LYS B 37 14.078 4.066 4.702 1.00 0.00 H new ATOM 0 HD2 LYS B 37 13.124 4.586 6.898 1.00 0.00 H new ATOM 0 HD3 LYS B 37 14.723 4.711 7.605 1.00 0.00 H new ATOM 0 HE2 LYS B 37 13.716 6.486 5.348 1.00 0.00 H new ATOM 0 HE3 LYS B 37 13.649 6.925 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 15.593 7.889 6.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 16.139 6.513 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 16.051 6.500 5.362 1.00 0.00 H new ATOM 1562 N VAL B 38 16.427 2.402 2.969 1.00 0.00 N ATOM 1563 CA VAL B 38 17.564 2.909 2.215 1.00 0.00 C ATOM 1564 C VAL B 38 17.565 4.432 2.214 1.00 0.00 C ATOM 1565 O VAL B 38 18.600 5.065 2.419 1.00 0.00 O ATOM 1566 CB VAL B 38 17.545 2.405 0.755 1.00 0.00 C ATOM 1567 CG1 VAL B 38 18.768 2.897 -0.009 1.00 0.00 C ATOM 1568 CG2 VAL B 38 17.466 0.889 0.715 1.00 0.00 C ATOM 0 H VAL B 38 15.568 2.316 2.426 1.00 0.00 H new ATOM 0 HA VAL B 38 18.466 2.539 2.702 1.00 0.00 H new ATOM 0 HB VAL B 38 16.658 2.811 0.269 1.00 0.00 H new ATOM 0 HG11 VAL B 38 18.730 2.528 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL B 38 18.778 3.987 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.672 2.529 0.476 1.00 0.00 H new ATOM 0 HG21 VAL B 38 17.454 0.553 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL B 38 18.332 0.466 1.223 1.00 0.00 H new ATOM 0 HG23 VAL B 38 16.555 0.559 1.215 1.00 0.00 H new ATOM 1578 N GLY B 39 16.392 5.017 2.009 1.00 0.00 N ATOM 1579 CA GLY B 39 16.291 6.459 1.935 1.00 0.00 C ATOM 1580 C GLY B 39 14.861 6.940 2.025 1.00 0.00 C ATOM 1581 O GLY B 39 13.960 6.157 2.331 1.00 0.00 O ATOM 0 H GLY B 39 15.510 4.518 1.893 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.873 6.903 2.742 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.730 6.804 0.999 1.00 0.00 H new ATOM 1585 N THR B 40 14.652 8.216 1.747 1.00 0.00 N ATOM 1586 CA THR B 40 13.331 8.816 1.830 1.00 0.00 C ATOM 1587 C THR B 40 13.086 9.724 0.628 1.00 0.00 C ATOM 1588 O THR B 40 13.999 10.405 0.159 1.00 0.00 O ATOM 1589 CB THR B 40 13.180 9.633 3.131 1.00 0.00 C ATOM 1590 OG1 THR B 40 13.571 8.835 4.257 1.00 0.00 O ATOM 1591 CG2 THR B 40 11.745 10.107 3.323 1.00 0.00 C ATOM 0 H THR B 40 15.388 8.861 1.459 1.00 0.00 H new ATOM 0 HA THR B 40 12.595 8.012 1.832 1.00 0.00 H new ATOM 0 HB THR B 40 13.826 10.508 3.054 1.00 0.00 H new ATOM 0 HG1 THR B 40 13.474 9.360 5.079 1.00 0.00 H new ATOM 0 HG21 THR B 40 11.671 10.679 4.248 1.00 0.00 H new ATOM 0 HG22 THR B 40 11.454 10.737 2.482 1.00 0.00 H new ATOM 0 HG23 THR B 40 11.081 9.244 3.376 1.00 0.00 H new ATOM 1599 N ILE B 41 11.862 9.715 0.123 1.00 0.00 N ATOM 1600 CA ILE B 41 11.490 10.551 -1.006 1.00 0.00 C ATOM 1601 C ILE B 41 10.258 11.381 -0.667 1.00 0.00 C ATOM 1602 O ILE B 41 9.433 10.976 0.154 1.00 0.00 O ATOM 1603 CB ILE B 41 11.209 9.715 -2.274 1.00 0.00 C ATOM 1604 CG1 ILE B 41 10.151 8.641 -1.987 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.495 9.083 -2.789 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.757 7.827 -3.200 1.00 0.00 C ATOM 0 H ILE B 41 11.105 9.133 0.481 1.00 0.00 H new ATOM 0 HA ILE B 41 12.335 11.209 -1.211 1.00 0.00 H new ATOM 0 HB ILE B 41 10.820 10.377 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.530 7.968 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.261 9.121 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.280 8.497 -3.683 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.213 9.866 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.914 8.433 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE B 41 9.006 7.090 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.346 8.487 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.635 7.316 -3.596 1.00 0.00 H new ATOM 1618 N ASN B 42 10.143 12.542 -1.288 1.00 0.00 N ATOM 1619 CA ASN B 42 9.002 13.419 -1.065 1.00 0.00 C ATOM 1620 C ASN B 42 8.546 14.038 -2.378 1.00 0.00 C ATOM 1621 O ASN B 42 9.313 14.726 -3.053 1.00 0.00 O ATOM 1622 CB ASN B 42 9.356 14.519 -0.059 1.00 0.00 C ATOM 1623 CG ASN B 42 8.216 15.497 0.167 1.00 0.00 C ATOM 1624 OD1 ASN B 42 7.041 15.146 0.059 1.00 0.00 O ATOM 1625 ND2 ASN B 42 8.555 16.737 0.482 1.00 0.00 N ATOM 0 H ASN B 42 10.827 12.902 -1.953 1.00 0.00 H new ATOM 0 HA ASN B 42 8.187 12.823 -0.655 1.00 0.00 H new ATOM 0 HB2 ASN B 42 9.630 14.061 0.892 1.00 0.00 H new ATOM 0 HB3 ASN B 42 10.231 15.063 -0.415 1.00 0.00 H new ATOM 0 HD21 ASN B 42 7.832 17.438 0.644 1.00 0.00 H new ATOM 0 HD22 ASN B 42 9.539 16.992 0.563 1.00 0.00 H new ATOM 1632 N VAL B 43 7.303 13.779 -2.741 1.00 0.00 N ATOM 1633 CA VAL B 43 6.736 14.327 -3.960 1.00 0.00 C ATOM 1634 C VAL B 43 5.841 15.516 -3.631 1.00 0.00 C ATOM 1635 O VAL B 43 4.722 15.343 -3.152 1.00 0.00 O ATOM 1636 CB VAL B 43 5.915 13.267 -4.731 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.403 13.832 -6.046 1.00 0.00 C ATOM 1638 CG2 VAL B 43 6.748 12.017 -4.972 1.00 0.00 C ATOM 0 H VAL B 43 6.664 13.190 -2.207 1.00 0.00 H new ATOM 0 HA VAL B 43 7.563 14.648 -4.593 1.00 0.00 H new ATOM 0 HB VAL B 43 5.054 12.994 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL B 43 4.829 13.069 -6.571 1.00 0.00 H new ATOM 0 HG12 VAL B 43 4.766 14.694 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL B 43 6.247 14.139 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.153 11.283 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL B 43 7.630 12.275 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.058 11.596 -4.015 1.00 0.00 H new ATOM 1648 N SER B 44 6.349 16.717 -3.862 1.00 0.00 N ATOM 1649 CA SER B 44 5.590 17.928 -3.594 1.00 0.00 C ATOM 1650 C SER B 44 5.321 18.684 -4.891 1.00 0.00 C ATOM 1651 O SER B 44 6.236 19.259 -5.486 1.00 0.00 O ATOM 1652 CB SER B 44 6.358 18.818 -2.618 1.00 0.00 C ATOM 1653 OG SER B 44 6.848 18.063 -1.522 1.00 0.00 O ATOM 0 H SER B 44 7.285 16.879 -4.235 1.00 0.00 H new ATOM 0 HA SER B 44 4.635 17.652 -3.148 1.00 0.00 H new ATOM 0 HB2 SER B 44 7.189 19.298 -3.134 1.00 0.00 H new ATOM 0 HB3 SER B 44 5.707 19.613 -2.255 1.00 0.00 H new ATOM 0 HG SER B 44 7.337 18.653 -0.911 1.00 0.00 H new ATOM 1659 N GLN B 45 4.072 18.667 -5.335 1.00 0.00 N ATOM 1660 CA GLN B 45 3.689 19.335 -6.573 1.00 0.00 C ATOM 1661 C GLN B 45 2.472 20.221 -6.341 1.00 0.00 C ATOM 1662 O GLN B 45 1.619 19.901 -5.511 1.00 0.00 O ATOM 1663 CB GLN B 45 3.387 18.306 -7.669 1.00 0.00 C ATOM 1664 CG GLN B 45 4.578 17.431 -8.035 1.00 0.00 C ATOM 1665 CD GLN B 45 5.733 18.224 -8.620 1.00 0.00 C ATOM 1666 OE1 GLN B 45 5.533 19.239 -9.287 1.00 0.00 O ATOM 1667 NE2 GLN B 45 6.949 17.767 -8.366 1.00 0.00 N ATOM 0 H GLN B 45 3.304 18.197 -4.856 1.00 0.00 H new ATOM 0 HA GLN B 45 4.522 19.957 -6.899 1.00 0.00 H new ATOM 0 HB2 GLN B 45 2.567 17.668 -7.339 1.00 0.00 H new ATOM 0 HB3 GLN B 45 3.045 18.830 -8.562 1.00 0.00 H new ATOM 0 HG2 GLN B 45 4.920 16.901 -7.146 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.261 16.676 -8.754 1.00 0.00 H new ATOM 0 HE21 GLN B 45 7.070 16.921 -7.808 1.00 0.00 H new ATOM 0 HE22 GLN B 45 7.765 18.260 -8.728 1.00 0.00 H new ATOM 1676 N SER B 46 2.390 21.321 -7.080 1.00 0.00 N ATOM 1677 CA SER B 46 1.294 22.275 -6.932 1.00 0.00 C ATOM 1678 C SER B 46 0.063 21.825 -7.722 1.00 0.00 C ATOM 1679 O SER B 46 -0.513 22.600 -8.489 1.00 0.00 O ATOM 1680 CB SER B 46 1.746 23.655 -7.411 1.00 0.00 C ATOM 1681 OG SER B 46 2.967 24.031 -6.793 1.00 0.00 O ATOM 0 H SER B 46 3.074 21.577 -7.793 1.00 0.00 H new ATOM 0 HA SER B 46 1.020 22.326 -5.878 1.00 0.00 H new ATOM 0 HB2 SER B 46 1.870 23.646 -8.494 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.977 24.393 -7.184 1.00 0.00 H new ATOM 0 HG SER B 46 2.880 23.951 -5.820 1.00 0.00 H new ATOM 1687 N GLY B 47 -0.341 20.578 -7.518 1.00 0.00 N ATOM 1688 CA GLY B 47 -1.467 20.032 -8.245 1.00 0.00 C ATOM 1689 C GLY B 47 -1.130 19.769 -9.698 1.00 0.00 C ATOM 1690 O GLY B 47 0.010 19.984 -10.124 1.00 0.00 O ATOM 0 H GLY B 47 0.094 19.933 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -1.787 19.103 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -2.306 20.725 -8.187 1.00 0.00 H new ATOM 1694 N GLY B 48 -2.109 19.299 -10.459 1.00 0.00 N ATOM 1695 CA GLY B 48 -1.896 19.035 -11.870 1.00 0.00 C ATOM 1696 C GLY B 48 -1.079 17.780 -12.112 1.00 0.00 C ATOM 1697 O GLY B 48 -1.601 16.779 -12.601 1.00 0.00 O ATOM 0 H GLY B 48 -3.050 19.095 -10.124 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.861 18.937 -12.367 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -1.389 19.887 -12.323 1.00 0.00 H new ATOM 1701 N GLN B 49 0.201 17.837 -11.754 1.00 0.00 N ATOM 1702 CA GLN B 49 1.122 16.723 -11.966 1.00 0.00 C ATOM 1703 C GLN B 49 0.606 15.468 -11.274 1.00 0.00 C ATOM 1704 O GLN B 49 0.472 14.412 -11.889 1.00 0.00 O ATOM 1705 CB GLN B 49 2.516 17.066 -11.428 1.00 0.00 C ATOM 1706 CG GLN B 49 3.043 18.423 -11.871 1.00 0.00 C ATOM 1707 CD GLN B 49 2.999 18.618 -13.372 1.00 0.00 C ATOM 1708 OE1 GLN B 49 2.017 19.128 -13.915 1.00 0.00 O ATOM 1709 NE2 GLN B 49 4.057 18.214 -14.055 1.00 0.00 N ATOM 0 H GLN B 49 0.627 18.651 -11.311 1.00 0.00 H new ATOM 0 HA GLN B 49 1.190 16.540 -13.038 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.489 17.038 -10.339 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.216 16.295 -11.749 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.457 19.207 -11.392 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.071 18.537 -11.526 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.850 17.797 -13.568 1.00 0.00 H new ATOM 0 HE22 GLN B 49 4.080 18.320 -15.069 1.00 0.00 H new ATOM 1718 N ILE B 50 0.319 15.598 -9.987 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.244 14.503 -9.216 1.00 0.00 C ATOM 1720 C ILE B 50 -1.740 14.728 -9.037 1.00 0.00 C ATOM 1721 O ILE B 50 -2.161 15.506 -8.182 1.00 0.00 O ATOM 1722 CB ILE B 50 0.431 14.376 -7.828 1.00 0.00 C ATOM 1723 CG1 ILE B 50 1.951 14.224 -7.978 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.150 13.196 -7.057 1.00 0.00 C ATOM 1725 CD1 ILE B 50 2.377 12.976 -8.721 1.00 0.00 C ATOM 0 H ILE B 50 0.468 16.455 -9.454 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.065 13.577 -9.762 1.00 0.00 H new ATOM 0 HB ILE B 50 0.231 15.288 -7.265 1.00 0.00 H new ATOM 0 HG12 ILE B 50 2.343 15.097 -8.501 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.404 14.216 -6.987 1.00 0.00 H new ATOM 0 HG21 ILE B 50 0.336 13.122 -6.084 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.221 13.344 -6.917 1.00 0.00 H new ATOM 0 HG23 ILE B 50 0.019 12.277 -7.618 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.465 12.944 -8.784 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.018 12.095 -8.189 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.956 12.989 -9.726 1.00 0.00 H new ATOM 1737 N SER B 51 -2.536 14.079 -9.871 1.00 0.00 N ATOM 1738 CA SER B 51 -3.978 14.250 -9.821 1.00 0.00 C ATOM 1739 C SER B 51 -4.668 12.907 -9.598 1.00 0.00 C ATOM 1740 O SER B 51 -5.676 12.819 -8.891 1.00 0.00 O ATOM 1741 CB SER B 51 -4.470 14.910 -11.114 1.00 0.00 C ATOM 1742 OG SER B 51 -5.837 15.275 -11.023 1.00 0.00 O ATOM 0 H SER B 51 -2.209 13.431 -10.588 1.00 0.00 H new ATOM 0 HA SER B 51 -4.229 14.900 -8.983 1.00 0.00 H new ATOM 0 HB2 SER B 51 -3.869 15.795 -11.324 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.330 14.224 -11.950 1.00 0.00 H new ATOM 0 HG SER B 51 -6.120 15.694 -11.862 1.00 0.00 H new ATOM 1748 N SER B 52 -4.121 11.862 -10.198 1.00 0.00 N ATOM 1749 CA SER B 52 -4.641 10.522 -10.015 1.00 0.00 C ATOM 1750 C SER B 52 -3.669 9.689 -9.180 1.00 0.00 C ATOM 1751 O SER B 52 -2.473 9.991 -9.126 1.00 0.00 O ATOM 1752 CB SER B 52 -4.872 9.866 -11.378 1.00 0.00 C ATOM 1753 OG SER B 52 -5.809 10.605 -12.146 1.00 0.00 O ATOM 0 H SER B 52 -3.313 11.920 -10.818 1.00 0.00 H new ATOM 0 HA SER B 52 -5.592 10.577 -9.485 1.00 0.00 H new ATOM 0 HB2 SER B 52 -3.927 9.798 -11.918 1.00 0.00 H new ATOM 0 HB3 SER B 52 -5.234 8.847 -11.239 1.00 0.00 H new ATOM 0 HG SER B 52 -5.939 10.167 -13.013 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.166 8.634 -8.507 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.321 7.731 -7.716 1.00 0.00 C ATOM 1761 C PRO B 53 -2.194 7.131 -8.553 1.00 0.00 C ATOM 1762 O PRO B 53 -1.114 6.836 -8.041 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.289 6.637 -7.256 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.635 7.273 -7.307 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.589 8.246 -8.451 1.00 0.00 C ATOM 0 HA PRO B 53 -2.829 8.247 -6.891 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -4.239 5.765 -7.908 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -4.051 6.296 -6.249 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -6.414 6.526 -7.461 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -5.862 7.782 -6.370 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -5.918 7.787 -9.383 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.234 9.106 -8.274 1.00 0.00 H new ATOM 1773 N SER B 54 -2.456 6.976 -9.845 1.00 0.00 N ATOM 1774 CA SER B 54 -1.475 6.444 -10.775 1.00 0.00 C ATOM 1775 C SER B 54 -0.278 7.383 -10.897 1.00 0.00 C ATOM 1776 O SER B 54 0.864 6.934 -10.936 1.00 0.00 O ATOM 1777 CB SER B 54 -2.131 6.222 -12.136 1.00 0.00 C ATOM 1778 OG SER B 54 -3.330 5.475 -11.991 1.00 0.00 O ATOM 0 H SER B 54 -3.350 7.215 -10.273 1.00 0.00 H new ATOM 0 HA SER B 54 -1.109 5.489 -10.397 1.00 0.00 H new ATOM 0 HB2 SER B 54 -2.348 7.183 -12.604 1.00 0.00 H new ATOM 0 HB3 SER B 54 -1.443 5.694 -12.797 1.00 0.00 H new ATOM 0 HG SER B 54 -3.741 5.342 -12.871 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.544 8.688 -10.924 1.00 0.00 N ATOM 1785 CA ASP B 55 0.521 9.687 -10.998 1.00 0.00 C ATOM 1786 C ASP B 55 1.376 9.619 -9.745 1.00 0.00 C ATOM 1787 O ASP B 55 2.605 9.682 -9.804 1.00 0.00 O ATOM 1788 CB ASP B 55 -0.052 11.102 -11.134 1.00 0.00 C ATOM 1789 CG ASP B 55 -0.968 11.265 -12.326 1.00 0.00 C ATOM 1790 OD1 ASP B 55 -0.490 11.155 -13.473 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -2.176 11.511 -12.117 1.00 0.00 O ATOM 0 H ASP B 55 -1.486 9.078 -10.896 1.00 0.00 H new ATOM 0 HA ASP B 55 1.125 9.469 -11.879 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.601 11.353 -10.226 1.00 0.00 H new ATOM 0 HB3 ASP B 55 0.770 11.813 -11.217 1.00 0.00 H new ATOM 1796 N LEU B 56 0.705 9.485 -8.609 1.00 0.00 N ATOM 1797 CA LEU B 56 1.377 9.401 -7.324 1.00 0.00 C ATOM 1798 C LEU B 56 2.258 8.157 -7.256 1.00 0.00 C ATOM 1799 O LEU B 56 3.459 8.250 -7.005 1.00 0.00 O ATOM 1800 CB LEU B 56 0.343 9.378 -6.195 1.00 0.00 C ATOM 1801 CG LEU B 56 0.925 9.414 -4.783 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.725 10.689 -4.573 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.184 9.302 -3.747 1.00 0.00 C ATOM 0 H LEU B 56 -0.312 9.432 -8.554 1.00 0.00 H new ATOM 0 HA LEU B 56 2.014 10.278 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.325 10.230 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.265 8.479 -6.298 1.00 0.00 H new ATOM 0 HG LEU B 56 1.595 8.562 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU B 56 2.133 10.700 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.541 10.730 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU B 56 1.075 11.553 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.248 9.329 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.878 10.134 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -0.718 8.362 -3.886 1.00 0.00 H new ATOM 1815 N ARG B 57 1.655 6.999 -7.504 1.00 0.00 N ATOM 1816 CA ARG B 57 2.368 5.727 -7.446 1.00 0.00 C ATOM 1817 C ARG B 57 3.474 5.660 -8.496 1.00 0.00 C ATOM 1818 O ARG B 57 4.494 5.002 -8.287 1.00 0.00 O ATOM 1819 CB ARG B 57 1.386 4.562 -7.602 1.00 0.00 C ATOM 1820 CG ARG B 57 0.631 4.262 -6.315 1.00 0.00 C ATOM 1821 CD ARG B 57 -0.572 3.350 -6.530 1.00 0.00 C ATOM 1822 NE ARG B 57 -0.249 2.100 -7.225 1.00 0.00 N ATOM 1823 CZ ARG B 57 0.528 1.127 -6.737 1.00 0.00 C ATOM 1824 NH1 ARG B 57 1.174 1.279 -5.589 1.00 0.00 N ATOM 1825 NH2 ARG B 57 0.659 -0.007 -7.411 1.00 0.00 N ATOM 0 H ARG B 57 0.668 6.915 -7.749 1.00 0.00 H new ATOM 0 HA ARG B 57 2.845 5.648 -6.469 1.00 0.00 H new ATOM 0 HB2 ARG B 57 0.673 4.795 -8.392 1.00 0.00 H new ATOM 0 HB3 ARG B 57 1.930 3.672 -7.917 1.00 0.00 H new ATOM 0 HG2 ARG B 57 1.311 3.796 -5.602 1.00 0.00 H new ATOM 0 HG3 ARG B 57 0.295 5.199 -5.870 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -1.014 3.113 -5.562 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -1.327 3.889 -7.102 1.00 0.00 H new ATOM 0 HE ARG B 57 -0.648 1.962 -8.153 1.00 0.00 H new ATOM 0 HH11 ARG B 57 1.082 2.148 -5.064 1.00 0.00 H new ATOM 0 HH12 ARG B 57 1.762 0.526 -5.231 1.00 0.00 H new ATOM 0 HH21 ARG B 57 0.169 -0.134 -8.296 1.00 0.00 H new ATOM 0 HH22 ARG B 57 1.250 -0.753 -7.044 1.00 0.00 H new ATOM 1839 N GLU B 58 3.273 6.349 -9.616 1.00 0.00 N ATOM 1840 CA GLU B 58 4.308 6.471 -10.633 1.00 0.00 C ATOM 1841 C GLU B 58 5.559 7.096 -10.033 1.00 0.00 C ATOM 1842 O GLU B 58 6.620 6.483 -10.008 1.00 0.00 O ATOM 1843 CB GLU B 58 3.831 7.339 -11.799 1.00 0.00 C ATOM 1844 CG GLU B 58 4.887 7.532 -12.877 1.00 0.00 C ATOM 1845 CD GLU B 58 4.637 8.756 -13.729 1.00 0.00 C ATOM 1846 OE1 GLU B 58 3.787 8.691 -14.640 1.00 0.00 O ATOM 1847 OE2 GLU B 58 5.302 9.790 -13.501 1.00 0.00 O ATOM 0 H GLU B 58 2.402 6.831 -9.840 1.00 0.00 H new ATOM 0 HA GLU B 58 4.532 5.470 -11.003 1.00 0.00 H new ATOM 0 HB2 GLU B 58 2.947 6.883 -12.244 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.529 8.314 -11.417 1.00 0.00 H new ATOM 0 HG2 GLU B 58 5.867 7.615 -12.408 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.913 6.649 -13.516 1.00 0.00 H new ATOM 1854 N LYS B 59 5.411 8.315 -9.530 1.00 0.00 N ATOM 1855 CA LYS B 59 6.532 9.069 -8.985 1.00 0.00 C ATOM 1856 C LYS B 59 7.154 8.373 -7.783 1.00 0.00 C ATOM 1857 O LYS B 59 8.375 8.373 -7.630 1.00 0.00 O ATOM 1858 CB LYS B 59 6.082 10.479 -8.615 1.00 0.00 C ATOM 1859 CG LYS B 59 5.999 11.406 -9.814 1.00 0.00 C ATOM 1860 CD LYS B 59 7.385 11.823 -10.277 1.00 0.00 C ATOM 1861 CE LYS B 59 7.350 12.486 -11.643 1.00 0.00 C ATOM 1862 NZ LYS B 59 7.263 11.488 -12.743 1.00 0.00 N ATOM 0 H LYS B 59 4.518 8.806 -9.488 1.00 0.00 H new ATOM 0 HA LYS B 59 7.300 9.128 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS B 59 5.106 10.429 -8.133 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.776 10.897 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS B 59 5.475 10.907 -10.629 1.00 0.00 H new ATOM 0 HG3 LYS B 59 5.417 12.290 -9.555 1.00 0.00 H new ATOM 0 HD2 LYS B 59 7.819 12.510 -9.551 1.00 0.00 H new ATOM 0 HD3 LYS B 59 8.034 10.948 -10.315 1.00 0.00 H new ATOM 0 HE2 LYS B 59 6.496 13.161 -11.697 1.00 0.00 H new ATOM 0 HE3 LYS B 59 8.245 13.094 -11.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 7.495 11.947 -13.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 7.936 10.715 -12.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 6.298 11.104 -12.787 1.00 0.00 H new ATOM 1876 N LEU B 60 6.325 7.774 -6.943 1.00 0.00 N ATOM 1877 CA LEU B 60 6.816 7.065 -5.768 1.00 0.00 C ATOM 1878 C LEU B 60 7.733 5.913 -6.169 1.00 0.00 C ATOM 1879 O LEU B 60 8.845 5.787 -5.657 1.00 0.00 O ATOM 1880 CB LEU B 60 5.650 6.541 -4.930 1.00 0.00 C ATOM 1881 CG LEU B 60 4.757 7.619 -4.311 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.596 6.981 -3.570 1.00 0.00 C ATOM 1883 CD2 LEU B 60 5.562 8.510 -3.375 1.00 0.00 C ATOM 0 H LEU B 60 5.311 7.763 -7.051 1.00 0.00 H new ATOM 0 HA LEU B 60 7.391 7.770 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.033 5.897 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.050 5.919 -4.129 1.00 0.00 H new ATOM 0 HG LEU B 60 4.358 8.239 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU B 60 2.970 7.760 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.004 6.385 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU B 60 3.979 6.339 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.909 9.270 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.990 7.905 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.364 8.994 -3.933 1.00 0.00 H new ATOM 1895 N SER B 61 7.277 5.086 -7.098 1.00 0.00 N ATOM 1896 CA SER B 61 8.070 3.955 -7.554 1.00 0.00 C ATOM 1897 C SER B 61 9.244 4.427 -8.410 1.00 0.00 C ATOM 1898 O SER B 61 10.335 3.868 -8.343 1.00 0.00 O ATOM 1899 CB SER B 61 7.192 2.969 -8.329 1.00 0.00 C ATOM 1900 OG SER B 61 6.506 3.613 -9.390 1.00 0.00 O ATOM 0 H SER B 61 6.366 5.176 -7.549 1.00 0.00 H new ATOM 0 HA SER B 61 8.476 3.443 -6.682 1.00 0.00 H new ATOM 0 HB2 SER B 61 7.810 2.165 -8.728 1.00 0.00 H new ATOM 0 HB3 SER B 61 6.471 2.511 -7.652 1.00 0.00 H new ATOM 0 HG SER B 61 5.664 3.986 -9.056 1.00 0.00 H new ATOM 1906 N GLU B 62 9.010 5.475 -9.194 1.00 0.00 N ATOM 1907 CA GLU B 62 10.033 6.053 -10.059 1.00 0.00 C ATOM 1908 C GLU B 62 11.216 6.567 -9.239 1.00 0.00 C ATOM 1909 O GLU B 62 12.376 6.334 -9.587 1.00 0.00 O ATOM 1910 CB GLU B 62 9.418 7.186 -10.885 1.00 0.00 C ATOM 1911 CG GLU B 62 10.367 7.831 -11.878 1.00 0.00 C ATOM 1912 CD GLU B 62 9.653 8.800 -12.799 1.00 0.00 C ATOM 1913 OE1 GLU B 62 9.446 9.967 -12.399 1.00 0.00 O ATOM 1914 OE2 GLU B 62 9.283 8.394 -13.921 1.00 0.00 O ATOM 0 H GLU B 62 8.107 5.947 -9.248 1.00 0.00 H new ATOM 0 HA GLU B 62 10.407 5.280 -10.730 1.00 0.00 H new ATOM 0 HB2 GLU B 62 8.556 6.796 -11.427 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.047 7.953 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU B 62 11.154 8.357 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU B 62 10.851 7.056 -12.472 1.00 0.00 H new ATOM 1921 N LEU B 63 10.918 7.255 -8.143 1.00 0.00 N ATOM 1922 CA LEU B 63 11.959 7.774 -7.267 1.00 0.00 C ATOM 1923 C LEU B 63 12.598 6.650 -6.458 1.00 0.00 C ATOM 1924 O LEU B 63 13.803 6.662 -6.215 1.00 0.00 O ATOM 1925 CB LEU B 63 11.398 8.846 -6.330 1.00 0.00 C ATOM 1926 CG LEU B 63 10.882 10.112 -7.021 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.363 11.104 -5.993 1.00 0.00 C ATOM 1928 CD2 LEU B 63 11.976 10.744 -7.869 1.00 0.00 C ATOM 0 H LEU B 63 9.967 7.465 -7.841 1.00 0.00 H new ATOM 0 HA LEU B 63 12.726 8.229 -7.894 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.584 8.410 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.176 9.130 -5.621 1.00 0.00 H new ATOM 0 HG LEU B 63 10.058 9.834 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU B 63 10.000 11.998 -6.501 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.548 10.651 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.168 11.376 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU B 63 11.589 11.642 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.821 11.009 -7.234 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.302 10.035 -8.630 1.00 0.00 H new ATOM 1940 N ALA B 64 11.789 5.675 -6.052 1.00 0.00 N ATOM 1941 CA ALA B 64 12.297 4.514 -5.328 1.00 0.00 C ATOM 1942 C ALA B 64 13.254 3.719 -6.209 1.00 0.00 C ATOM 1943 O ALA B 64 14.264 3.192 -5.739 1.00 0.00 O ATOM 1944 CB ALA B 64 11.151 3.634 -4.853 1.00 0.00 C ATOM 0 H ALA B 64 10.782 5.666 -6.212 1.00 0.00 H new ATOM 0 HA ALA B 64 12.842 4.864 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.551 2.774 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.503 4.207 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.576 3.289 -5.713 1.00 0.00 H new ATOM 1950 N ASP B 65 12.925 3.647 -7.490 1.00 0.00 N ATOM 1951 CA ASP B 65 13.781 3.015 -8.486 1.00 0.00 C ATOM 1952 C ASP B 65 15.087 3.788 -8.640 1.00 0.00 C ATOM 1953 O ASP B 65 16.171 3.202 -8.685 1.00 0.00 O ATOM 1954 CB ASP B 65 13.041 2.939 -9.826 1.00 0.00 C ATOM 1955 CG ASP B 65 13.943 2.587 -10.989 1.00 0.00 C ATOM 1956 OD1 ASP B 65 14.315 1.403 -11.127 1.00 0.00 O ATOM 1957 OD2 ASP B 65 14.260 3.496 -11.785 1.00 0.00 O ATOM 0 H ASP B 65 12.057 4.025 -7.870 1.00 0.00 H new ATOM 0 HA ASP B 65 14.024 2.005 -8.155 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.247 2.196 -9.753 1.00 0.00 H new ATOM 0 HB3 ASP B 65 12.562 3.898 -10.024 1.00 0.00 H new ATOM 1962 N ALA B 66 14.976 5.112 -8.690 1.00 0.00 N ATOM 1963 CA ALA B 66 16.145 5.979 -8.796 1.00 0.00 C ATOM 1964 C ALA B 66 17.057 5.818 -7.580 1.00 0.00 C ATOM 1965 O ALA B 66 18.279 5.854 -7.701 1.00 0.00 O ATOM 1966 CB ALA B 66 15.714 7.429 -8.952 1.00 0.00 C ATOM 0 H ALA B 66 14.086 5.609 -8.659 1.00 0.00 H new ATOM 0 HA ALA B 66 16.709 5.685 -9.681 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.596 8.064 -9.030 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.110 7.534 -9.853 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.126 7.729 -8.085 1.00 0.00 H new ATOM 1972 N LYS B 67 16.455 5.639 -6.410 1.00 0.00 N ATOM 1973 CA LYS B 67 17.220 5.384 -5.195 1.00 0.00 C ATOM 1974 C LYS B 67 17.834 3.989 -5.236 1.00 0.00 C ATOM 1975 O LYS B 67 19.010 3.807 -4.920 1.00 0.00 O ATOM 1976 CB LYS B 67 16.333 5.522 -3.952 1.00 0.00 C ATOM 1977 CG LYS B 67 15.850 6.939 -3.684 1.00 0.00 C ATOM 1978 CD LYS B 67 17.008 7.888 -3.418 1.00 0.00 C ATOM 1979 CE LYS B 67 16.518 9.266 -2.997 1.00 0.00 C ATOM 1980 NZ LYS B 67 17.640 10.221 -2.801 1.00 0.00 N ATOM 0 H LYS B 67 15.444 5.665 -6.277 1.00 0.00 H new ATOM 0 HA LYS B 67 18.018 6.125 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.467 4.870 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.888 5.169 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.277 7.296 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS B 67 15.176 6.938 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.646 7.474 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.620 7.977 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.838 9.656 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS B 67 15.949 9.181 -2.071 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 17.262 11.147 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 18.276 9.863 -2.060 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 18.169 10.323 -3.691 1.00 0.00 H new ATOM 1994 N GLY B 68 17.034 3.012 -5.636 1.00 0.00 N ATOM 1995 CA GLY B 68 17.502 1.643 -5.706 1.00 0.00 C ATOM 1996 C GLY B 68 16.817 0.757 -4.688 1.00 0.00 C ATOM 1997 O GLY B 68 17.443 -0.123 -4.093 1.00 0.00 O ATOM 0 H GLY B 68 16.062 3.144 -5.915 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.324 1.250 -6.707 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.579 1.619 -5.541 1.00 0.00 H new ATOM 2001 N GLY B 69 15.530 0.993 -4.478 1.00 0.00 N ATOM 2002 CA GLY B 69 14.779 0.210 -3.521 1.00 0.00 C ATOM 2003 C GLY B 69 13.774 -0.704 -4.189 1.00 0.00 C ATOM 2004 O GLY B 69 13.501 -0.573 -5.383 1.00 0.00 O ATOM 0 H GLY B 69 14.992 1.716 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY B 69 15.468 -0.386 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY B 69 14.259 0.879 -2.836 1.00 0.00 H new ATOM 2008 N LYS B 70 13.220 -1.627 -3.417 1.00 0.00 N ATOM 2009 CA LYS B 70 12.254 -2.584 -3.937 1.00 0.00 C ATOM 2010 C LYS B 70 10.856 -2.263 -3.425 1.00 0.00 C ATOM 2011 O LYS B 70 9.855 -2.585 -4.065 1.00 0.00 O ATOM 2012 CB LYS B 70 12.642 -4.008 -3.528 1.00 0.00 C ATOM 2013 CG LYS B 70 13.982 -4.463 -4.083 1.00 0.00 C ATOM 2014 CD LYS B 70 14.338 -5.860 -3.601 1.00 0.00 C ATOM 2015 CE LYS B 70 15.636 -6.349 -4.223 1.00 0.00 C ATOM 2016 NZ LYS B 70 16.005 -7.712 -3.757 1.00 0.00 N ATOM 0 H LYS B 70 13.424 -1.734 -2.423 1.00 0.00 H new ATOM 0 HA LYS B 70 12.255 -2.514 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS B 70 12.671 -4.068 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS B 70 11.867 -4.697 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.949 -4.450 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS B 70 14.760 -3.763 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS B 70 14.431 -5.859 -2.515 1.00 0.00 H new ATOM 0 HD3 LYS B 70 13.531 -6.549 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS B 70 15.538 -6.352 -5.309 1.00 0.00 H new ATOM 0 HE3 LYS B 70 16.439 -5.654 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 16.896 -8.003 -4.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 16.125 -7.705 -2.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 15.252 -8.382 -4.013 1.00 0.00 H new ATOM 2030 N TYR B 71 10.795 -1.621 -2.269 1.00 0.00 N ATOM 2031 CA TYR B 71 9.524 -1.297 -1.643 1.00 0.00 C ATOM 2032 C TYR B 71 9.521 0.152 -1.186 1.00 0.00 C ATOM 2033 O TYR B 71 10.581 0.752 -1.012 1.00 0.00 O ATOM 2034 CB TYR B 71 9.265 -2.212 -0.438 1.00 0.00 C ATOM 2035 CG TYR B 71 9.322 -3.690 -0.758 1.00 0.00 C ATOM 2036 CD1 TYR B 71 8.220 -4.352 -1.285 1.00 0.00 C ATOM 2037 CD2 TYR B 71 10.480 -4.423 -0.531 1.00 0.00 C ATOM 2038 CE1 TYR B 71 8.272 -5.702 -1.577 1.00 0.00 C ATOM 2039 CE2 TYR B 71 10.539 -5.773 -0.819 1.00 0.00 C ATOM 2040 CZ TYR B 71 9.434 -6.408 -1.343 1.00 0.00 C ATOM 2041 OH TYR B 71 9.492 -7.752 -1.629 1.00 0.00 O ATOM 0 H TYR B 71 11.614 -1.313 -1.744 1.00 0.00 H new ATOM 0 HA TYR B 71 8.734 -1.448 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.999 -1.991 0.336 1.00 0.00 H new ATOM 0 HB3 TYR B 71 8.284 -1.979 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR B 71 7.308 -3.803 -1.469 1.00 0.00 H new ATOM 0 HD2 TYR B 71 11.349 -3.929 -0.122 1.00 0.00 H new ATOM 0 HE1 TYR B 71 7.407 -6.202 -1.987 1.00 0.00 H new ATOM 0 HE2 TYR B 71 11.447 -6.328 -0.634 1.00 0.00 H new ATOM 0 HH TYR B 71 10.382 -8.096 -1.406 1.00 0.00 H new ATOM 2051 N TYR B 72 8.337 0.713 -1.008 1.00 0.00 N ATOM 2052 CA TYR B 72 8.203 2.047 -0.444 1.00 0.00 C ATOM 2053 C TYR B 72 6.929 2.142 0.385 1.00 0.00 C ATOM 2054 O TYR B 72 6.036 1.304 0.264 1.00 0.00 O ATOM 2055 CB TYR B 72 8.238 3.130 -1.538 1.00 0.00 C ATOM 2056 CG TYR B 72 7.195 2.982 -2.627 1.00 0.00 C ATOM 2057 CD1 TYR B 72 7.460 2.240 -3.771 1.00 0.00 C ATOM 2058 CD2 TYR B 72 5.954 3.597 -2.519 1.00 0.00 C ATOM 2059 CE1 TYR B 72 6.517 2.111 -4.772 1.00 0.00 C ATOM 2060 CE2 TYR B 72 5.007 3.473 -3.518 1.00 0.00 C ATOM 2061 CZ TYR B 72 5.293 2.729 -4.641 1.00 0.00 C ATOM 2062 OH TYR B 72 4.351 2.600 -5.636 1.00 0.00 O ATOM 0 H TYR B 72 7.452 0.265 -1.246 1.00 0.00 H new ATOM 0 HA TYR B 72 9.056 2.226 0.211 1.00 0.00 H new ATOM 0 HB2 TYR B 72 8.111 4.104 -1.066 1.00 0.00 H new ATOM 0 HB3 TYR B 72 9.225 3.125 -2.000 1.00 0.00 H new ATOM 0 HD1 TYR B 72 8.419 1.756 -3.880 1.00 0.00 H new ATOM 0 HD2 TYR B 72 5.726 4.182 -1.640 1.00 0.00 H new ATOM 0 HE1 TYR B 72 6.738 1.528 -5.654 1.00 0.00 H new ATOM 0 HE2 TYR B 72 4.047 3.957 -3.418 1.00 0.00 H new ATOM 0 HH TYR B 72 3.543 3.096 -5.388 1.00 0.00 H new ATOM 2072 N HIS B 73 6.856 3.143 1.245 1.00 0.00 N ATOM 2073 CA HIS B 73 5.705 3.315 2.119 1.00 0.00 C ATOM 2074 C HIS B 73 5.445 4.790 2.377 1.00 0.00 C ATOM 2075 O HIS B 73 6.318 5.500 2.876 1.00 0.00 O ATOM 2076 CB HIS B 73 5.940 2.578 3.447 1.00 0.00 C ATOM 2077 CG HIS B 73 4.841 2.739 4.455 1.00 0.00 C ATOM 2078 ND1 HIS B 73 3.695 1.976 4.449 1.00 0.00 N ATOM 2079 CD2 HIS B 73 4.725 3.577 5.513 1.00 0.00 C ATOM 2080 CE1 HIS B 73 2.923 2.340 5.457 1.00 0.00 C ATOM 2081 NE2 HIS B 73 3.524 3.306 6.116 1.00 0.00 N ATOM 0 H HIS B 73 7.581 3.851 1.358 1.00 0.00 H new ATOM 0 HA HIS B 73 4.829 2.892 1.628 1.00 0.00 H new ATOM 0 HB2 HIS B 73 6.072 1.516 3.239 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.872 2.935 3.885 1.00 0.00 H new ATOM 0 HD1 HIS B 73 3.476 1.245 3.772 1.00 0.00 H new ATOM 0 HD2 HIS B 73 5.445 4.320 5.824 1.00 0.00 H new ATOM 0 HE1 HIS B 73 1.960 1.915 5.699 1.00 0.00 H new ATOM 2090 N ILE B 74 4.252 5.247 2.025 1.00 0.00 N ATOM 2091 CA ILE B 74 3.851 6.619 2.296 1.00 0.00 C ATOM 2092 C ILE B 74 3.655 6.809 3.795 1.00 0.00 C ATOM 2093 O ILE B 74 2.749 6.224 4.388 1.00 0.00 O ATOM 2094 CB ILE B 74 2.539 6.986 1.568 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.648 6.672 0.075 1.00 0.00 C ATOM 2096 CG2 ILE B 74 2.212 8.458 1.780 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.360 6.900 -0.689 1.00 0.00 C ATOM 0 H ILE B 74 3.544 4.686 1.550 1.00 0.00 H new ATOM 0 HA ILE B 74 4.642 7.273 1.929 1.00 0.00 H new ATOM 0 HB ILE B 74 1.731 6.386 1.987 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.433 7.289 -0.361 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.954 5.633 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.285 8.703 1.262 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.095 8.655 2.846 1.00 0.00 H new ATOM 0 HG23 ILE B 74 3.022 9.071 1.385 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.513 6.657 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.576 6.263 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE B 74 1.063 7.945 -0.598 1.00 0.00 H new ATOM 2109 N ILE B 75 4.518 7.602 4.406 1.00 0.00 N ATOM 2110 CA ILE B 75 4.453 7.826 5.839 1.00 0.00 C ATOM 2111 C ILE B 75 3.781 9.153 6.154 1.00 0.00 C ATOM 2112 O ILE B 75 3.317 9.375 7.273 1.00 0.00 O ATOM 2113 CB ILE B 75 5.853 7.792 6.484 1.00 0.00 C ATOM 2114 CG1 ILE B 75 6.766 8.848 5.851 1.00 0.00 C ATOM 2115 CG2 ILE B 75 6.454 6.402 6.342 1.00 0.00 C ATOM 2116 CD1 ILE B 75 8.129 8.948 6.503 1.00 0.00 C ATOM 0 H ILE B 75 5.271 8.101 3.932 1.00 0.00 H new ATOM 0 HA ILE B 75 3.858 7.015 6.260 1.00 0.00 H new ATOM 0 HB ILE B 75 5.758 8.025 7.545 1.00 0.00 H new ATOM 0 HG12 ILE B 75 6.895 8.616 4.794 1.00 0.00 H new ATOM 0 HG13 ILE B 75 6.275 9.820 5.906 1.00 0.00 H new ATOM 0 HG21 ILE B 75 7.443 6.385 6.800 1.00 0.00 H new ATOM 0 HG22 ILE B 75 5.811 5.675 6.839 1.00 0.00 H new ATOM 0 HG23 ILE B 75 6.539 6.148 5.285 1.00 0.00 H new ATOM 0 HD11 ILE B 75 8.717 9.716 6.001 1.00 0.00 H new ATOM 0 HD12 ILE B 75 8.011 9.211 7.554 1.00 0.00 H new ATOM 0 HD13 ILE B 75 8.641 7.989 6.424 1.00 0.00 H new ATOM 2128 N ALA B 76 3.726 10.034 5.163 1.00 0.00 N ATOM 2129 CA ALA B 76 3.109 11.338 5.342 1.00 0.00 C ATOM 2130 C ALA B 76 2.546 11.869 4.032 1.00 0.00 C ATOM 2131 O ALA B 76 3.278 12.406 3.201 1.00 0.00 O ATOM 2132 CB ALA B 76 4.110 12.328 5.923 1.00 0.00 C ATOM 0 H ALA B 76 4.101 9.868 4.229 1.00 0.00 H new ATOM 0 HA ALA B 76 2.282 11.220 6.042 1.00 0.00 H new ATOM 0 HB1 ALA B 76 3.630 13.298 6.050 1.00 0.00 H new ATOM 0 HB2 ALA B 76 4.460 11.967 6.890 1.00 0.00 H new ATOM 0 HB3 ALA B 76 4.958 12.428 5.245 1.00 0.00 H new ATOM 2138 N ALA B 77 1.252 11.681 3.837 1.00 0.00 N ATOM 2139 CA ALA B 77 0.561 12.277 2.705 1.00 0.00 C ATOM 2140 C ALA B 77 -0.225 13.494 3.172 1.00 0.00 C ATOM 2141 O ALA B 77 -1.298 13.363 3.758 1.00 0.00 O ATOM 2142 CB ALA B 77 -0.362 11.265 2.040 1.00 0.00 C ATOM 0 H ALA B 77 0.658 11.120 4.448 1.00 0.00 H new ATOM 0 HA ALA B 77 1.298 12.590 1.966 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.868 11.734 1.196 1.00 0.00 H new ATOM 0 HB2 ALA B 77 0.223 10.416 1.686 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -1.103 10.920 2.761 1.00 0.00 H new ATOM 2148 N ARG B 78 0.324 14.675 2.935 1.00 0.00 N ATOM 2149 CA ARG B 78 -0.288 15.904 3.416 1.00 0.00 C ATOM 2150 C ARG B 78 -0.576 16.871 2.278 1.00 0.00 C ATOM 2151 O ARG B 78 -0.095 16.696 1.159 1.00 0.00 O ATOM 2152 CB ARG B 78 0.586 16.573 4.481 1.00 0.00 C ATOM 2153 CG ARG B 78 2.080 16.488 4.215 1.00 0.00 C ATOM 2154 CD ARG B 78 2.876 17.266 5.252 1.00 0.00 C ATOM 2155 NE ARG B 78 2.364 17.075 6.612 1.00 0.00 N ATOM 2156 CZ ARG B 78 3.132 16.951 7.693 1.00 0.00 C ATOM 2157 NH1 ARG B 78 4.454 16.906 7.574 1.00 0.00 N ATOM 2158 NH2 ARG B 78 2.577 16.855 8.894 1.00 0.00 N ATOM 0 H ARG B 78 1.190 14.809 2.414 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.241 15.633 3.872 1.00 0.00 H new ATOM 0 HB2 ARG B 78 0.303 17.623 4.558 1.00 0.00 H new ATOM 0 HB3 ARG B 78 0.375 16.114 5.447 1.00 0.00 H new ATOM 0 HG2 ARG B 78 2.393 15.444 4.223 1.00 0.00 H new ATOM 0 HG3 ARG B 78 2.296 16.878 3.221 1.00 0.00 H new ATOM 0 HD2 ARG B 78 3.920 16.954 5.213 1.00 0.00 H new ATOM 0 HD3 ARG B 78 2.851 18.327 5.003 1.00 0.00 H new ATOM 0 HE ARG B 78 1.353 17.034 6.739 1.00 0.00 H new ATOM 0 HH11 ARG B 78 4.885 16.967 6.652 1.00 0.00 H new ATOM 0 HH12 ARG B 78 5.038 16.811 8.405 1.00 0.00 H new ATOM 0 HH21 ARG B 78 1.562 16.876 8.990 1.00 0.00 H new ATOM 0 HH22 ARG B 78 3.166 16.760 9.722 1.00 0.00 H new ATOM 2172 N GLU B 79 -1.362 17.892 2.581 1.00 0.00 N ATOM 2173 CA GLU B 79 -1.856 18.816 1.574 1.00 0.00 C ATOM 2174 C GLU B 79 -1.790 20.252 2.088 1.00 0.00 C ATOM 2175 O GLU B 79 -2.242 20.540 3.195 1.00 0.00 O ATOM 2176 CB GLU B 79 -3.298 18.433 1.232 1.00 0.00 C ATOM 2177 CG GLU B 79 -3.963 19.310 0.187 1.00 0.00 C ATOM 2178 CD GLU B 79 -5.396 18.888 -0.065 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -6.268 19.214 0.769 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -5.645 18.198 -1.074 1.00 0.00 O ATOM 0 H GLU B 79 -1.674 18.103 3.529 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.236 18.755 0.680 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -3.311 17.401 0.880 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -3.893 18.466 2.145 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -3.942 20.349 0.516 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -3.399 19.259 -0.744 1.00 0.00 H new ATOM 2187 N HIS B 80 -1.201 21.142 1.298 1.00 0.00 N ATOM 2188 CA HIS B 80 -1.150 22.562 1.644 1.00 0.00 C ATOM 2189 C HIS B 80 -1.744 23.386 0.514 1.00 0.00 C ATOM 2190 O HIS B 80 -1.013 23.963 -0.297 1.00 0.00 O ATOM 2191 CB HIS B 80 0.284 23.043 1.902 1.00 0.00 C ATOM 2192 CG HIS B 80 1.061 22.215 2.873 1.00 0.00 C ATOM 2193 ND1 HIS B 80 0.630 21.922 4.146 1.00 0.00 N ATOM 2194 CD2 HIS B 80 2.256 21.609 2.735 1.00 0.00 C ATOM 2195 CE1 HIS B 80 1.530 21.167 4.747 1.00 0.00 C ATOM 2196 NE2 HIS B 80 2.529 20.963 3.910 1.00 0.00 N ATOM 0 H HIS B 80 -0.751 20.908 0.413 1.00 0.00 H new ATOM 0 HA HIS B 80 -1.725 22.692 2.561 1.00 0.00 H new ATOM 0 HB2 HIS B 80 0.821 23.064 0.954 1.00 0.00 H new ATOM 0 HB3 HIS B 80 0.247 24.068 2.270 1.00 0.00 H new ATOM 0 HD2 HIS B 80 2.884 21.629 1.857 1.00 0.00 H new ATOM 0 HE1 HIS B 80 1.461 20.781 5.753 1.00 0.00 H new ATOM 0 HE2 HIS B 80 3.366 20.415 4.106 1.00 0.00 H new ATOM 2205 N GLY B 81 -3.064 23.411 0.439 1.00 0.00 N ATOM 2206 CA GLY B 81 -3.721 24.098 -0.653 1.00 0.00 C ATOM 2207 C GLY B 81 -3.610 23.306 -1.938 1.00 0.00 C ATOM 2208 O GLY B 81 -4.149 22.205 -2.034 1.00 0.00 O ATOM 0 H GLY B 81 -3.691 22.970 1.112 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -4.771 24.256 -0.409 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -3.274 25.083 -0.789 1.00 0.00 H new ATOM 2212 N PRO B 82 -2.913 23.844 -2.950 1.00 0.00 N ATOM 2213 CA PRO B 82 -2.645 23.115 -4.187 1.00 0.00 C ATOM 2214 C PRO B 82 -1.438 22.182 -4.065 1.00 0.00 C ATOM 2215 O PRO B 82 -1.276 21.258 -4.859 1.00 0.00 O ATOM 2216 CB PRO B 82 -2.357 24.236 -5.183 1.00 0.00 C ATOM 2217 CG PRO B 82 -1.752 25.323 -4.361 1.00 0.00 C ATOM 2218 CD PRO B 82 -2.371 25.217 -2.989 1.00 0.00 C ATOM 0 HA PRO B 82 -3.472 22.465 -4.473 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -1.675 23.905 -5.966 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -3.269 24.573 -5.676 1.00 0.00 H new ATOM 0 HG2 PRO B 82 -0.669 25.212 -4.308 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -1.951 26.300 -4.802 1.00 0.00 H new ATOM 0 HD2 PRO B 82 -1.632 25.378 -2.204 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -3.155 25.960 -2.846 1.00 0.00 H new ATOM 2226 N ASN B 83 -0.601 22.424 -3.061 1.00 0.00 N ATOM 2227 CA ASN B 83 0.625 21.647 -2.890 1.00 0.00 C ATOM 2228 C ASN B 83 0.352 20.352 -2.149 1.00 0.00 C ATOM 2229 O ASN B 83 0.086 20.353 -0.946 1.00 0.00 O ATOM 2230 CB ASN B 83 1.698 22.442 -2.136 1.00 0.00 C ATOM 2231 CG ASN B 83 2.233 23.622 -2.923 1.00 0.00 C ATOM 2232 OD1 ASN B 83 2.206 23.633 -4.152 1.00 0.00 O ATOM 2233 ND2 ASN B 83 2.751 24.613 -2.216 1.00 0.00 N ATOM 0 H ASN B 83 -0.746 23.147 -2.357 1.00 0.00 H new ATOM 0 HA ASN B 83 0.995 21.420 -3.890 1.00 0.00 H new ATOM 0 HB2 ASN B 83 1.281 22.801 -1.195 1.00 0.00 H new ATOM 0 HB3 ASN B 83 2.524 21.777 -1.885 1.00 0.00 H new ATOM 0 HD21 ASN B 83 3.147 25.425 -2.690 1.00 0.00 H new ATOM 0 HD22 ASN B 83 2.754 24.565 -1.197 1.00 0.00 H new ATOM 2240 N PHE B 84 0.409 19.252 -2.875 1.00 0.00 N ATOM 2241 CA PHE B 84 0.267 17.936 -2.279 1.00 0.00 C ATOM 2242 C PHE B 84 1.647 17.345 -2.022 1.00 0.00 C ATOM 2243 O PHE B 84 2.499 17.341 -2.914 1.00 0.00 O ATOM 2244 CB PHE B 84 -0.550 17.020 -3.194 1.00 0.00 C ATOM 2245 CG PHE B 84 -0.771 15.642 -2.635 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.653 15.438 -1.586 1.00 0.00 C ATOM 2247 CD2 PHE B 84 -0.092 14.553 -3.156 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.856 14.173 -1.069 1.00 0.00 C ATOM 2249 CE2 PHE B 84 -0.289 13.285 -2.643 1.00 0.00 C ATOM 2250 CZ PHE B 84 -1.172 13.094 -1.598 1.00 0.00 C ATOM 0 H PHE B 84 0.554 19.243 -3.885 1.00 0.00 H new ATOM 0 HA PHE B 84 -0.264 18.026 -1.331 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -1.518 17.483 -3.386 1.00 0.00 H new ATOM 0 HB3 PHE B 84 -0.042 16.935 -4.154 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -2.188 16.278 -1.168 1.00 0.00 H new ATOM 0 HD2 PHE B 84 0.600 14.697 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.548 14.027 -0.253 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.247 12.444 -3.059 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.328 12.104 -1.195 1.00 0.00 H new ATOM 2260 N GLU B 85 1.867 16.868 -0.806 1.00 0.00 N ATOM 2261 CA GLU B 85 3.158 16.314 -0.425 1.00 0.00 C ATOM 2262 C GLU B 85 3.024 14.843 -0.071 1.00 0.00 C ATOM 2263 O GLU B 85 2.301 14.483 0.862 1.00 0.00 O ATOM 2264 CB GLU B 85 3.739 17.062 0.775 1.00 0.00 C ATOM 2265 CG GLU B 85 3.810 18.566 0.592 1.00 0.00 C ATOM 2266 CD GLU B 85 4.385 19.263 1.807 1.00 0.00 C ATOM 2267 OE1 GLU B 85 3.920 18.981 2.935 1.00 0.00 O ATOM 2268 OE2 GLU B 85 5.275 20.115 1.638 1.00 0.00 O ATOM 0 H GLU B 85 1.167 16.853 -0.065 1.00 0.00 H new ATOM 0 HA GLU B 85 3.829 16.425 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU B 85 3.134 16.842 1.654 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.741 16.683 0.975 1.00 0.00 H new ATOM 0 HG2 GLU B 85 4.422 18.796 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU B 85 2.811 18.954 0.392 1.00 0.00 H new ATOM 2275 N ALA B 86 3.709 13.999 -0.814 1.00 0.00 N ATOM 2276 CA ALA B 86 3.735 12.581 -0.516 1.00 0.00 C ATOM 2277 C ALA B 86 5.118 12.166 -0.037 1.00 0.00 C ATOM 2278 O ALA B 86 6.047 12.037 -0.837 1.00 0.00 O ATOM 2279 CB ALA B 86 3.329 11.769 -1.732 1.00 0.00 C ATOM 0 H ALA B 86 4.257 14.270 -1.631 1.00 0.00 H new ATOM 0 HA ALA B 86 3.017 12.385 0.281 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.355 10.707 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.319 12.046 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA B 86 4.020 11.969 -2.551 1.00 0.00 H new ATOM 2285 N VAL B 87 5.250 11.980 1.265 1.00 0.00 N ATOM 2286 CA VAL B 87 6.508 11.549 1.850 1.00 0.00 C ATOM 2287 C VAL B 87 6.512 10.035 2.015 1.00 0.00 C ATOM 2288 O VAL B 87 5.671 9.473 2.724 1.00 0.00 O ATOM 2289 CB VAL B 87 6.758 12.212 3.223 1.00 0.00 C ATOM 2290 CG1 VAL B 87 8.130 11.833 3.763 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.619 13.724 3.125 1.00 0.00 C ATOM 0 H VAL B 87 4.498 12.121 1.940 1.00 0.00 H new ATOM 0 HA VAL B 87 7.306 11.854 1.174 1.00 0.00 H new ATOM 0 HB VAL B 87 6.004 11.845 3.919 1.00 0.00 H new ATOM 0 HG11 VAL B 87 8.285 12.311 4.730 1.00 0.00 H new ATOM 0 HG12 VAL B 87 8.189 10.751 3.879 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.900 12.166 3.067 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.799 14.170 4.103 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.346 14.111 2.410 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.612 13.976 2.791 1.00 0.00 H new ATOM 2301 N ALA B 88 7.447 9.380 1.349 1.00 0.00 N ATOM 2302 CA ALA B 88 7.538 7.932 1.387 1.00 0.00 C ATOM 2303 C ALA B 88 8.971 7.492 1.642 1.00 0.00 C ATOM 2304 O ALA B 88 9.916 8.180 1.261 1.00 0.00 O ATOM 2305 CB ALA B 88 7.025 7.336 0.084 1.00 0.00 C ATOM 0 H ALA B 88 8.157 9.831 0.773 1.00 0.00 H new ATOM 0 HA ALA B 88 6.916 7.569 2.206 1.00 0.00 H new ATOM 0 HB1 ALA B 88 7.099 6.249 0.127 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.984 7.623 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.624 7.708 -0.747 1.00 0.00 H new ATOM 2311 N GLU B 89 9.129 6.353 2.290 1.00 0.00 N ATOM 2312 CA GLU B 89 10.451 5.809 2.555 1.00 0.00 C ATOM 2313 C GLU B 89 10.761 4.696 1.570 1.00 0.00 C ATOM 2314 O GLU B 89 9.886 3.899 1.233 1.00 0.00 O ATOM 2315 CB GLU B 89 10.540 5.278 3.983 1.00 0.00 C ATOM 2316 CG GLU B 89 10.189 6.310 5.039 1.00 0.00 C ATOM 2317 CD GLU B 89 10.294 5.756 6.443 1.00 0.00 C ATOM 2318 OE1 GLU B 89 9.569 4.792 6.761 1.00 0.00 O ATOM 2319 OE2 GLU B 89 11.096 6.284 7.237 1.00 0.00 O ATOM 0 H GLU B 89 8.359 5.785 2.643 1.00 0.00 H new ATOM 0 HA GLU B 89 11.182 6.608 2.437 1.00 0.00 H new ATOM 0 HB2 GLU B 89 9.871 4.423 4.086 1.00 0.00 H new ATOM 0 HB3 GLU B 89 11.552 4.915 4.164 1.00 0.00 H new ATOM 0 HG2 GLU B 89 10.853 7.168 4.939 1.00 0.00 H new ATOM 0 HG3 GLU B 89 9.175 6.670 4.868 1.00 0.00 H new ATOM 2326 N VAL B 90 11.997 4.652 1.109 1.00 0.00 N ATOM 2327 CA VAL B 90 12.425 3.646 0.151 1.00 0.00 C ATOM 2328 C VAL B 90 13.106 2.495 0.876 1.00 0.00 C ATOM 2329 O VAL B 90 14.105 2.695 1.571 1.00 0.00 O ATOM 2330 CB VAL B 90 13.394 4.242 -0.893 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.791 3.197 -1.925 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.770 5.453 -1.570 1.00 0.00 C ATOM 0 H VAL B 90 12.729 5.307 1.385 1.00 0.00 H new ATOM 0 HA VAL B 90 11.540 3.282 -0.370 1.00 0.00 H new ATOM 0 HB VAL B 90 14.297 4.564 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.474 3.642 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL B 90 14.284 2.362 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.900 2.837 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.467 5.860 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.849 5.155 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL B 90 12.546 6.213 -0.821 1.00 0.00 H new ATOM 2342 N TYR B 91 12.564 1.297 0.721 1.00 0.00 N ATOM 2343 CA TYR B 91 13.090 0.130 1.410 1.00 0.00 C ATOM 2344 C TYR B 91 13.731 -0.847 0.436 1.00 0.00 C ATOM 2345 O TYR B 91 13.319 -0.967 -0.720 1.00 0.00 O ATOM 2346 CB TYR B 91 11.988 -0.609 2.171 1.00 0.00 C ATOM 2347 CG TYR B 91 11.159 0.257 3.086 1.00 0.00 C ATOM 2348 CD1 TYR B 91 11.618 0.631 4.345 1.00 0.00 C ATOM 2349 CD2 TYR B 91 9.901 0.679 2.696 1.00 0.00 C ATOM 2350 CE1 TYR B 91 10.837 1.404 5.186 1.00 0.00 C ATOM 2351 CE2 TYR B 91 9.119 1.452 3.523 1.00 0.00 C ATOM 2352 CZ TYR B 91 9.587 1.813 4.766 1.00 0.00 C ATOM 2353 OH TYR B 91 8.790 2.572 5.595 1.00 0.00 O ATOM 0 H TYR B 91 11.759 1.108 0.123 1.00 0.00 H new ATOM 0 HA TYR B 91 13.841 0.496 2.110 1.00 0.00 H new ATOM 0 HB2 TYR B 91 11.326 -1.088 1.449 1.00 0.00 H new ATOM 0 HB3 TYR B 91 12.444 -1.404 2.761 1.00 0.00 H new ATOM 0 HD1 TYR B 91 12.598 0.314 4.671 1.00 0.00 H new ATOM 0 HD2 TYR B 91 9.525 0.396 1.724 1.00 0.00 H new ATOM 0 HE1 TYR B 91 11.202 1.685 6.163 1.00 0.00 H new ATOM 0 HE2 TYR B 91 8.141 1.775 3.198 1.00 0.00 H new ATOM 0 HH TYR B 91 9.354 3.119 6.180 1.00 0.00 H new ATOM 2363 N ASN B 92 14.731 -1.544 0.926 1.00 0.00 N ATOM 2364 CA ASN B 92 15.338 -2.654 0.218 1.00 0.00 C ATOM 2365 C ASN B 92 15.239 -3.869 1.127 1.00 0.00 C ATOM 2366 O ASN B 92 14.812 -3.740 2.275 1.00 0.00 O ATOM 2367 CB ASN B 92 16.804 -2.335 -0.114 1.00 0.00 C ATOM 2368 CG ASN B 92 17.409 -3.257 -1.162 1.00 0.00 C ATOM 2369 OD1 ASN B 92 17.948 -4.314 -0.844 1.00 0.00 O ATOM 2370 ND2 ASN B 92 17.343 -2.846 -2.421 1.00 0.00 N ATOM 0 H ASN B 92 15.152 -1.356 1.836 1.00 0.00 H new ATOM 0 HA ASN B 92 14.828 -2.843 -0.726 1.00 0.00 H new ATOM 0 HB2 ASN B 92 16.872 -1.306 -0.466 1.00 0.00 H new ATOM 0 HB3 ASN B 92 17.396 -2.399 0.799 1.00 0.00 H new ATOM 0 HD21 ASN B 92 17.748 -3.414 -3.165 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.887 -1.962 -2.646 1.00 0.00 H new ATOM 2377 N ASP B 93 15.607 -5.038 0.643 1.00 0.00 N ATOM 2378 CA ASP B 93 15.597 -6.217 1.489 1.00 0.00 C ATOM 2379 C ASP B 93 16.959 -6.357 2.159 1.00 0.00 C ATOM 2380 O ASP B 93 17.789 -5.448 2.070 1.00 0.00 O ATOM 2381 CB ASP B 93 15.236 -7.472 0.685 1.00 0.00 C ATOM 2382 CG ASP B 93 16.327 -7.927 -0.261 1.00 0.00 C ATOM 2383 OD1 ASP B 93 16.640 -7.193 -1.219 1.00 0.00 O ATOM 2384 OD2 ASP B 93 16.848 -9.045 -0.070 1.00 0.00 O ATOM 0 H ASP B 93 15.913 -5.198 -0.317 1.00 0.00 H new ATOM 0 HA ASP B 93 14.832 -6.105 2.257 1.00 0.00 H new ATOM 0 HB2 ASP B 93 15.007 -8.282 1.377 1.00 0.00 H new ATOM 0 HB3 ASP B 93 14.329 -7.277 0.112 1.00 0.00 H new ATOM 2389 N ALA B 94 17.190 -7.469 2.841 1.00 0.00 N ATOM 2390 CA ALA B 94 18.458 -7.688 3.526 1.00 0.00 C ATOM 2391 C ALA B 94 19.589 -7.975 2.535 1.00 0.00 C ATOM 2392 O ALA B 94 20.176 -9.058 2.529 1.00 0.00 O ATOM 2393 CB ALA B 94 18.329 -8.812 4.541 1.00 0.00 C ATOM 0 H ALA B 94 16.520 -8.232 2.936 1.00 0.00 H new ATOM 0 HA ALA B 94 18.713 -6.771 4.057 1.00 0.00 H new ATOM 0 HB1 ALA B 94 19.285 -8.961 5.042 1.00 0.00 H new ATOM 0 HB2 ALA B 94 17.570 -8.551 5.278 1.00 0.00 H new ATOM 0 HB3 ALA B 94 18.039 -9.731 4.031 1.00 0.00 H new