USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 860 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 GLN : amide:sc= 0.762 K(o=1.6,f=-4) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 133:sc= 0.81 (180deg=0) USER MOD Set 2.1: A 24 THR OG1 : rot -118:sc= 0.706 USER MOD Set 2.2: A 27 ASN : amide:sc= -2.96! C(o=-2.3!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.34 K(o=0.34,f=-3.7!) USER MOD Single : A 20 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-0.93) USER MOD Single : A 22 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.185 K(o=-0.19,f=-2.4!) USER MOD Single : A 35 TYR OH : rot 15:sc= -0.679 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.013) USER MOD Single : A 45 TYR OH : rot 30:sc= -4.77! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.772 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.39! C(o=-1.4!,f=-1.2!) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -2.88 F(o=-5.1!,f=-2.9) USER MOD Single : A 55 ASN : amide:sc= 0.00233 X(o=0.0023,f=0) USER MOD Single : A 57 SER OG : rot 180:sc=-0.00784 USER MOD Single : A 62 MET CE :methyl -177:sc= -9.74! (180deg=-10.3!) USER MOD Single : A 63 THR OG1 : rot -95:sc= 0.39! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.598 F(o=-1.4,f=-0.6) USER MOD Single : A 78 HIS : no HD1:sc=-0.00442 X(o=-0.0044,f=-0.22) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -5.48! C(o=-5.5!,f=-16!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 60:sc= -3.23 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.441 F(o=-0.98,f=-0.44) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS :FLIP no HD1:sc= -2.62 F(o=-4.2!,f=-2.6) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.735 -8.688 -19.095 1.00 0.00 N ATOM 2 CA GLY A 1 -33.375 -8.701 -18.585 1.00 0.00 C ATOM 3 C GLY A 1 -32.931 -10.125 -18.244 1.00 0.00 C ATOM 4 O GLY A 1 -32.310 -10.798 -19.064 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.013 -7.711 -19.319 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.788 -9.269 -19.956 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.379 -9.075 -18.376 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.700 -8.274 -19.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.310 -8.073 -17.696 1.00 0.00 H new ATOM 8 N SER A 2 -33.267 -10.541 -17.032 1.00 0.00 N ATOM 9 CA SER A 2 -32.911 -11.873 -16.572 1.00 0.00 C ATOM 10 C SER A 2 -31.419 -11.929 -16.238 1.00 0.00 C ATOM 11 O SER A 2 -31.044 -12.241 -15.109 1.00 0.00 O ATOM 12 CB SER A 2 -33.260 -12.929 -17.622 1.00 0.00 C ATOM 13 OG SER A 2 -33.946 -14.041 -17.054 1.00 0.00 O ATOM 0 H SER A 2 -33.782 -9.979 -16.354 1.00 0.00 H new ATOM 0 HA SER A 2 -33.487 -12.090 -15.672 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.880 -12.478 -18.397 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.346 -13.275 -18.105 1.00 0.00 H new ATOM 0 HG SER A 2 -34.152 -14.692 -17.757 1.00 0.00 H new ATOM 19 N SER A 3 -30.608 -11.622 -17.240 1.00 0.00 N ATOM 20 CA SER A 3 -29.166 -11.634 -17.066 1.00 0.00 C ATOM 21 C SER A 3 -28.694 -13.044 -16.706 1.00 0.00 C ATOM 22 O SER A 3 -29.497 -13.893 -16.323 1.00 0.00 O ATOM 23 CB SER A 3 -28.733 -10.638 -15.988 1.00 0.00 C ATOM 24 OG SER A 3 -28.135 -9.472 -16.547 1.00 0.00 O ATOM 0 H SER A 3 -30.923 -11.363 -18.175 1.00 0.00 H new ATOM 0 HA SER A 3 -28.706 -11.333 -18.007 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.599 -10.351 -15.391 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.026 -11.120 -15.313 1.00 0.00 H new ATOM 0 HG SER A 3 -27.874 -8.861 -15.827 1.00 0.00 H new ATOM 30 N GLY A 4 -27.392 -13.251 -16.843 1.00 0.00 N ATOM 31 CA GLY A 4 -26.803 -14.543 -16.537 1.00 0.00 C ATOM 32 C GLY A 4 -25.280 -14.442 -16.435 1.00 0.00 C ATOM 33 O GLY A 4 -24.702 -13.400 -16.740 1.00 0.00 O ATOM 0 H GLY A 4 -26.729 -12.545 -17.162 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.210 -14.919 -15.598 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.072 -15.262 -17.311 1.00 0.00 H new ATOM 37 N SER A 5 -24.673 -15.539 -16.006 1.00 0.00 N ATOM 38 CA SER A 5 -23.228 -15.586 -15.861 1.00 0.00 C ATOM 39 C SER A 5 -22.761 -17.039 -15.755 1.00 0.00 C ATOM 40 O SER A 5 -23.560 -17.934 -15.485 1.00 0.00 O ATOM 41 CB SER A 5 -22.772 -14.791 -14.636 1.00 0.00 C ATOM 42 OG SER A 5 -21.697 -13.908 -14.943 1.00 0.00 O ATOM 0 H SER A 5 -25.155 -16.402 -15.754 1.00 0.00 H new ATOM 0 HA SER A 5 -22.780 -15.130 -16.744 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.611 -14.217 -14.243 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.462 -15.481 -13.851 1.00 0.00 H new ATOM 0 HG SER A 5 -21.436 -13.417 -14.136 1.00 0.00 H new ATOM 48 N SER A 6 -21.468 -17.229 -15.973 1.00 0.00 N ATOM 49 CA SER A 6 -20.884 -18.558 -15.906 1.00 0.00 C ATOM 50 C SER A 6 -19.414 -18.463 -15.493 1.00 0.00 C ATOM 51 O SER A 6 -18.804 -17.400 -15.595 1.00 0.00 O ATOM 52 CB SER A 6 -21.014 -19.285 -17.245 1.00 0.00 C ATOM 53 OG SER A 6 -20.619 -18.462 -18.340 1.00 0.00 O ATOM 0 H SER A 6 -20.808 -16.484 -16.196 1.00 0.00 H new ATOM 0 HA SER A 6 -21.428 -19.134 -15.157 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.401 -20.186 -17.229 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.047 -19.604 -17.385 1.00 0.00 H new ATOM 0 HG SER A 6 -20.715 -18.963 -19.177 1.00 0.00 H new ATOM 59 N GLY A 7 -18.887 -19.590 -15.035 1.00 0.00 N ATOM 60 CA GLY A 7 -17.500 -19.647 -14.607 1.00 0.00 C ATOM 61 C GLY A 7 -17.369 -19.292 -13.124 1.00 0.00 C ATOM 62 O GLY A 7 -16.840 -18.237 -12.780 1.00 0.00 O ATOM 0 H GLY A 7 -19.396 -20.470 -14.951 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.102 -20.647 -14.782 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.903 -18.958 -15.204 1.00 0.00 H new ATOM 66 N LEU A 8 -17.859 -20.195 -12.287 1.00 0.00 N ATOM 67 CA LEU A 8 -17.803 -19.990 -10.850 1.00 0.00 C ATOM 68 C LEU A 8 -16.982 -21.112 -10.211 1.00 0.00 C ATOM 69 O LEU A 8 -17.290 -22.290 -10.388 1.00 0.00 O ATOM 70 CB LEU A 8 -19.214 -19.855 -10.273 1.00 0.00 C ATOM 71 CG LEU A 8 -20.297 -20.701 -10.944 1.00 0.00 C ATOM 72 CD1 LEU A 8 -21.456 -20.972 -9.982 1.00 0.00 C ATOM 73 CD2 LEU A 8 -20.772 -20.052 -12.246 1.00 0.00 C ATOM 0 H LEU A 8 -18.296 -21.070 -12.577 1.00 0.00 H new ATOM 0 HA LEU A 8 -17.297 -19.053 -10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -19.179 -20.117 -9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -19.510 -18.808 -10.332 1.00 0.00 H new ATOM 0 HG LEU A 8 -19.863 -21.666 -11.205 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -22.212 -21.575 -10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -21.086 -21.508 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -21.897 -20.026 -9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -21.542 -20.674 -12.703 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -21.182 -19.065 -12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.931 -19.954 -12.932 1.00 0.00 H new ATOM 85 N GLU A 9 -15.954 -20.707 -9.480 1.00 0.00 N ATOM 86 CA GLU A 9 -15.087 -21.663 -8.814 1.00 0.00 C ATOM 87 C GLU A 9 -15.296 -21.605 -7.299 1.00 0.00 C ATOM 88 O GLU A 9 -14.598 -20.871 -6.601 1.00 0.00 O ATOM 89 CB GLU A 9 -13.620 -21.418 -9.175 1.00 0.00 C ATOM 90 CG GLU A 9 -13.089 -22.521 -10.092 1.00 0.00 C ATOM 91 CD GLU A 9 -11.686 -22.183 -10.601 1.00 0.00 C ATOM 92 OE1 GLU A 9 -11.462 -20.990 -10.896 1.00 0.00 O ATOM 93 OE2 GLU A 9 -10.870 -23.126 -10.683 1.00 0.00 O ATOM 0 H GLU A 9 -15.702 -19.729 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.350 -22.663 -9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.520 -20.451 -9.668 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.020 -21.376 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.066 -23.468 -9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.764 -22.653 -10.937 1.00 0.00 H new ATOM 100 N SER A 10 -16.260 -22.386 -6.837 1.00 0.00 N ATOM 101 CA SER A 10 -16.570 -22.432 -5.418 1.00 0.00 C ATOM 102 C SER A 10 -15.731 -23.514 -4.734 1.00 0.00 C ATOM 103 O SER A 10 -16.110 -24.025 -3.681 1.00 0.00 O ATOM 104 CB SER A 10 -18.060 -22.692 -5.188 1.00 0.00 C ATOM 105 OG SER A 10 -18.879 -21.879 -6.023 1.00 0.00 O ATOM 0 H SER A 10 -16.837 -22.992 -7.420 1.00 0.00 H new ATOM 0 HA SER A 10 -16.326 -21.463 -4.983 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.278 -23.743 -5.379 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.304 -22.500 -4.143 1.00 0.00 H new ATOM 0 HG SER A 10 -19.823 -22.076 -5.847 1.00 0.00 H new ATOM 111 N GLU A 11 -14.607 -23.830 -5.360 1.00 0.00 N ATOM 112 CA GLU A 11 -13.712 -24.841 -4.824 1.00 0.00 C ATOM 113 C GLU A 11 -12.331 -24.239 -4.556 1.00 0.00 C ATOM 114 O GLU A 11 -11.321 -24.755 -5.034 1.00 0.00 O ATOM 115 CB GLU A 11 -13.613 -26.041 -5.768 1.00 0.00 C ATOM 116 CG GLU A 11 -14.564 -27.159 -5.336 1.00 0.00 C ATOM 117 CD GLU A 11 -13.792 -28.433 -4.988 1.00 0.00 C ATOM 118 OE1 GLU A 11 -13.327 -29.093 -5.941 1.00 0.00 O ATOM 119 OE2 GLU A 11 -13.683 -28.717 -3.775 1.00 0.00 O ATOM 0 H GLU A 11 -14.296 -23.404 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.121 -25.197 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.851 -25.729 -6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.589 -26.415 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.144 -26.834 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.274 -27.367 -6.137 1.00 0.00 H new ATOM 126 N GLU A 12 -12.331 -23.156 -3.794 1.00 0.00 N ATOM 127 CA GLU A 12 -11.091 -22.478 -3.456 1.00 0.00 C ATOM 128 C GLU A 12 -11.110 -22.033 -1.993 1.00 0.00 C ATOM 129 O GLU A 12 -11.634 -20.968 -1.671 1.00 0.00 O ATOM 130 CB GLU A 12 -10.845 -21.289 -4.388 1.00 0.00 C ATOM 131 CG GLU A 12 -9.351 -21.113 -4.669 1.00 0.00 C ATOM 132 CD GLU A 12 -9.001 -21.577 -6.085 1.00 0.00 C ATOM 133 OE1 GLU A 12 -9.490 -22.663 -6.463 1.00 0.00 O ATOM 134 OE2 GLU A 12 -8.253 -20.834 -6.756 1.00 0.00 O ATOM 0 H GLU A 12 -13.170 -22.731 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.268 -23.180 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.380 -21.441 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.244 -20.380 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.075 -20.066 -4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.771 -21.682 -3.942 1.00 0.00 H new ATOM 141 N VAL A 13 -10.532 -22.871 -1.145 1.00 0.00 N ATOM 142 CA VAL A 13 -10.476 -22.577 0.277 1.00 0.00 C ATOM 143 C VAL A 13 -9.039 -22.751 0.773 1.00 0.00 C ATOM 144 O VAL A 13 -8.292 -23.574 0.248 1.00 0.00 O ATOM 145 CB VAL A 13 -11.479 -23.452 1.032 1.00 0.00 C ATOM 146 CG1 VAL A 13 -11.212 -23.417 2.538 1.00 0.00 C ATOM 147 CG2 VAL A 13 -12.917 -23.031 0.720 1.00 0.00 C ATOM 0 H VAL A 13 -10.098 -23.754 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.762 -21.542 0.465 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.350 -24.480 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.939 -24.047 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.206 -23.786 2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.301 -22.393 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.610 -23.668 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.065 -21.993 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.102 -23.131 -0.350 1.00 0.00 H new ATOM 157 N ASP A 14 -8.696 -21.961 1.780 1.00 0.00 N ATOM 158 CA ASP A 14 -7.362 -22.017 2.354 1.00 0.00 C ATOM 159 C ASP A 14 -7.465 -22.348 3.844 1.00 0.00 C ATOM 160 O ASP A 14 -8.564 -22.497 4.375 1.00 0.00 O ATOM 161 CB ASP A 14 -6.646 -20.672 2.217 1.00 0.00 C ATOM 162 CG ASP A 14 -7.530 -19.444 2.443 1.00 0.00 C ATOM 163 OD1 ASP A 14 -8.408 -19.532 3.328 1.00 0.00 O ATOM 164 OD2 ASP A 14 -7.306 -18.444 1.727 1.00 0.00 O ATOM 0 H ASP A 14 -9.319 -21.279 2.213 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.798 -22.782 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.820 -20.643 2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.210 -20.609 1.220 1.00 0.00 H new ATOM 169 N LEU A 15 -6.305 -22.453 4.476 1.00 0.00 N ATOM 170 CA LEU A 15 -6.252 -22.763 5.894 1.00 0.00 C ATOM 171 C LEU A 15 -5.635 -21.583 6.647 1.00 0.00 C ATOM 172 O LEU A 15 -6.345 -20.822 7.303 1.00 0.00 O ATOM 173 CB LEU A 15 -5.522 -24.088 6.126 1.00 0.00 C ATOM 174 CG LEU A 15 -6.264 -25.123 6.974 1.00 0.00 C ATOM 175 CD1 LEU A 15 -6.370 -24.664 8.430 1.00 0.00 C ATOM 176 CD2 LEU A 15 -7.634 -25.444 6.374 1.00 0.00 C ATOM 0 H LEU A 15 -5.395 -22.329 4.032 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.258 -22.905 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.301 -24.533 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.566 -23.874 6.604 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.686 -26.047 6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.902 -25.417 9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.370 -24.527 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.914 -23.720 8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.140 -26.182 6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.234 -24.535 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.506 -25.844 5.368 1.00 0.00 H new ATOM 188 N ASN A 16 -4.321 -21.467 6.528 1.00 0.00 N ATOM 189 CA ASN A 16 -3.601 -20.392 7.189 1.00 0.00 C ATOM 190 C ASN A 16 -3.500 -19.194 6.243 1.00 0.00 C ATOM 191 O ASN A 16 -3.587 -18.046 6.677 1.00 0.00 O ATOM 192 CB ASN A 16 -2.180 -20.825 7.557 1.00 0.00 C ATOM 193 CG ASN A 16 -1.493 -21.512 6.375 1.00 0.00 C ATOM 194 OD1 ASN A 16 -1.900 -22.566 5.915 1.00 0.00 O ATOM 195 ND2 ASN A 16 -0.432 -20.858 5.912 1.00 0.00 N ATOM 0 H ASN A 16 -3.736 -22.100 5.983 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.145 -20.131 8.097 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.599 -19.955 7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.212 -21.504 8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.096 -21.235 5.125 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.146 -19.980 6.344 1.00 0.00 H new ATOM 202 N ALA A 17 -3.319 -19.502 4.967 1.00 0.00 N ATOM 203 CA ALA A 17 -3.205 -18.465 3.956 1.00 0.00 C ATOM 204 C ALA A 17 -4.389 -17.504 4.081 1.00 0.00 C ATOM 205 O ALA A 17 -4.290 -16.338 3.700 1.00 0.00 O ATOM 206 CB ALA A 17 -3.122 -19.109 2.571 1.00 0.00 C ATOM 0 H ALA A 17 -3.249 -20.455 4.610 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.293 -17.886 4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.036 -18.331 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.248 -19.759 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.022 -19.696 2.388 1.00 0.00 H new ATOM 212 N GLY A 18 -5.481 -18.028 4.618 1.00 0.00 N ATOM 213 CA GLY A 18 -6.683 -17.231 4.799 1.00 0.00 C ATOM 214 C GLY A 18 -6.518 -16.246 5.957 1.00 0.00 C ATOM 215 O GLY A 18 -7.212 -15.232 6.019 1.00 0.00 O ATOM 0 H GLY A 18 -5.559 -18.995 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.904 -16.685 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.532 -17.886 4.992 1.00 0.00 H new ATOM 219 N LEU A 19 -5.594 -16.577 6.847 1.00 0.00 N ATOM 220 CA LEU A 19 -5.329 -15.734 8.001 1.00 0.00 C ATOM 221 C LEU A 19 -4.163 -14.795 7.683 1.00 0.00 C ATOM 222 O LEU A 19 -4.212 -13.609 8.004 1.00 0.00 O ATOM 223 CB LEU A 19 -5.108 -16.589 9.250 1.00 0.00 C ATOM 224 CG LEU A 19 -3.799 -16.348 10.004 1.00 0.00 C ATOM 225 CD1 LEU A 19 -3.653 -14.875 10.392 1.00 0.00 C ATOM 226 CD2 LEU A 19 -3.686 -17.274 11.217 1.00 0.00 C ATOM 0 H LEU A 19 -5.019 -17.418 6.792 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.193 -15.107 8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.937 -16.416 9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.149 -17.639 8.960 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.971 -16.589 9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.714 -14.731 10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.656 -14.260 9.492 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.484 -14.584 11.034 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.746 -17.082 11.735 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.519 -17.088 11.895 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.712 -18.312 10.886 1.00 0.00 H new ATOM 238 N HIS A 20 -3.142 -15.362 7.057 1.00 0.00 N ATOM 239 CA HIS A 20 -1.966 -14.591 6.693 1.00 0.00 C ATOM 240 C HIS A 20 -2.389 -13.355 5.897 1.00 0.00 C ATOM 241 O HIS A 20 -2.174 -12.226 6.335 1.00 0.00 O ATOM 242 CB HIS A 20 -0.956 -15.461 5.944 1.00 0.00 C ATOM 243 CG HIS A 20 -0.295 -16.513 6.802 1.00 0.00 C ATOM 244 ND1 HIS A 20 1.070 -16.737 6.796 1.00 0.00 N ATOM 245 CD2 HIS A 20 -0.827 -17.399 7.694 1.00 0.00 C ATOM 246 CE1 HIS A 20 1.338 -17.716 7.649 1.00 0.00 C ATOM 247 NE2 HIS A 20 0.161 -18.125 8.203 1.00 0.00 N ATOM 0 H HIS A 20 -3.105 -16.346 6.793 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.461 -14.245 7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.461 -15.951 5.111 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.186 -14.819 5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.874 -17.493 7.943 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.316 -18.119 7.867 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.057 -18.867 8.895 1.00 0.00 H new ATOM 255 N GLY A 21 -2.984 -13.610 4.740 1.00 0.00 N ATOM 256 CA GLY A 21 -3.439 -12.533 3.879 1.00 0.00 C ATOM 257 C GLY A 21 -2.429 -12.259 2.763 1.00 0.00 C ATOM 258 O GLY A 21 -1.349 -11.727 3.015 1.00 0.00 O ATOM 0 H GLY A 21 -3.161 -14.548 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.404 -12.793 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.588 -11.629 4.469 1.00 0.00 H new ATOM 262 N ASN A 22 -2.817 -12.635 1.553 1.00 0.00 N ATOM 263 CA ASN A 22 -1.958 -12.437 0.397 1.00 0.00 C ATOM 264 C ASN A 22 -2.171 -11.025 -0.155 1.00 0.00 C ATOM 265 O ASN A 22 -2.760 -10.854 -1.221 1.00 0.00 O ATOM 266 CB ASN A 22 -2.292 -13.434 -0.714 1.00 0.00 C ATOM 267 CG ASN A 22 -1.289 -14.589 -0.733 1.00 0.00 C ATOM 268 OD1 ASN A 22 -1.122 -15.317 0.232 1.00 0.00 O ATOM 269 ND2 ASN A 22 -0.632 -14.716 -1.883 1.00 0.00 N ATOM 0 H ASN A 22 -3.714 -13.075 1.348 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.926 -12.583 0.715 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.299 -13.824 -0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.285 -12.926 -1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.060 -15.457 -1.996 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.820 -14.072 -2.652 1.00 0.00 H new ATOM 276 N TRP A 23 -1.680 -10.051 0.596 1.00 0.00 N ATOM 277 CA TRP A 23 -1.809 -8.660 0.195 1.00 0.00 C ATOM 278 C TRP A 23 -0.404 -8.108 -0.055 1.00 0.00 C ATOM 279 O TRP A 23 0.275 -7.683 0.879 1.00 0.00 O ATOM 280 CB TRP A 23 -2.589 -7.859 1.240 1.00 0.00 C ATOM 281 CG TRP A 23 -4.104 -8.065 1.178 1.00 0.00 C ATOM 282 CD1 TRP A 23 -4.931 -8.414 2.173 1.00 0.00 C ATOM 283 CD2 TRP A 23 -4.945 -7.919 0.014 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.237 -8.504 1.738 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.246 -8.193 0.383 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.617 -7.567 -1.307 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.323 -8.144 -0.510 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.705 -7.522 -2.188 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.020 -7.796 -1.832 1.00 0.00 C ATOM 0 H TRP A 23 -1.192 -10.197 1.480 1.00 0.00 H new ATOM 0 HA TRP A 23 -2.385 -8.576 -0.726 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.235 -8.136 2.233 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.371 -6.799 1.108 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.615 -8.601 3.188 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.047 -8.753 2.306 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.606 -7.349 -1.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.333 -8.363 -0.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.508 -7.256 -3.216 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.805 -7.741 -2.572 1.00 0.00 H new ATOM 300 N THR A 24 -0.011 -8.131 -1.319 1.00 0.00 N ATOM 301 CA THR A 24 1.301 -7.638 -1.704 1.00 0.00 C ATOM 302 C THR A 24 1.213 -6.175 -2.143 1.00 0.00 C ATOM 303 O THR A 24 0.224 -5.762 -2.747 1.00 0.00 O ATOM 304 CB THR A 24 1.855 -8.565 -2.788 1.00 0.00 C ATOM 305 OG1 THR A 24 1.126 -8.206 -3.958 1.00 0.00 O ATOM 306 CG2 THR A 24 1.484 -10.030 -2.551 1.00 0.00 C ATOM 0 H THR A 24 -0.578 -8.483 -2.091 1.00 0.00 H new ATOM 0 HA THR A 24 1.991 -7.651 -0.861 1.00 0.00 H new ATOM 0 HB THR A 24 2.940 -8.468 -2.829 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.612 -8.979 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.902 -10.645 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.887 -10.357 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.399 -10.134 -2.543 1.00 0.00 H new ATOM 314 N LEU A 25 2.261 -5.430 -1.822 1.00 0.00 N ATOM 315 CA LEU A 25 2.315 -4.022 -2.175 1.00 0.00 C ATOM 316 C LEU A 25 1.601 -3.808 -3.511 1.00 0.00 C ATOM 317 O LEU A 25 0.891 -2.820 -3.689 1.00 0.00 O ATOM 318 CB LEU A 25 3.760 -3.521 -2.162 1.00 0.00 C ATOM 319 CG LEU A 25 4.297 -3.056 -0.807 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.776 -3.417 -0.650 1.00 0.00 C ATOM 321 CD2 LEU A 25 4.048 -1.561 -0.602 1.00 0.00 C ATOM 0 H LEU A 25 3.080 -5.776 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 25 1.788 -3.423 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.404 -4.320 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.843 -2.694 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 25 3.751 -3.584 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.133 -3.075 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.896 -4.498 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.354 -2.935 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.439 -1.257 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.550 -0.997 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.977 -1.362 -0.640 1.00 0.00 H new ATOM 333 N GLU A 26 1.815 -4.751 -4.417 1.00 0.00 N ATOM 334 CA GLU A 26 1.202 -4.678 -5.732 1.00 0.00 C ATOM 335 C GLU A 26 -0.313 -4.863 -5.622 1.00 0.00 C ATOM 336 O GLU A 26 -1.080 -4.000 -6.048 1.00 0.00 O ATOM 337 CB GLU A 26 1.812 -5.713 -6.680 1.00 0.00 C ATOM 338 CG GLU A 26 3.129 -5.205 -7.271 1.00 0.00 C ATOM 339 CD GLU A 26 3.398 -5.839 -8.637 1.00 0.00 C ATOM 340 OE1 GLU A 26 2.701 -5.439 -9.595 1.00 0.00 O ATOM 341 OE2 GLU A 26 4.294 -6.709 -8.693 1.00 0.00 O ATOM 0 H GLU A 26 2.404 -5.570 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 26 1.400 -3.690 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.986 -6.646 -6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.110 -5.934 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.092 -4.120 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.949 -5.435 -6.591 1.00 0.00 H new ATOM 348 N ASN A 27 -0.700 -5.993 -5.049 1.00 0.00 N ATOM 349 CA ASN A 27 -2.109 -6.302 -4.878 1.00 0.00 C ATOM 350 C ASN A 27 -2.803 -5.127 -4.186 1.00 0.00 C ATOM 351 O ASN A 27 -3.684 -4.493 -4.765 1.00 0.00 O ATOM 352 CB ASN A 27 -2.299 -7.544 -4.004 1.00 0.00 C ATOM 353 CG ASN A 27 -1.670 -8.775 -4.659 1.00 0.00 C ATOM 354 OD1 ASN A 27 -0.875 -9.487 -4.067 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.069 -8.986 -5.910 1.00 0.00 N ATOM 0 H ASN A 27 -0.062 -6.706 -4.697 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.536 -6.486 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.848 -7.377 -3.026 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.362 -7.718 -3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.707 -9.783 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.737 -8.351 -6.346 1.00 0.00 H new ATOM 362 N ALA A 28 -2.381 -4.872 -2.956 1.00 0.00 N ATOM 363 CA ALA A 28 -2.951 -3.784 -2.179 1.00 0.00 C ATOM 364 C ALA A 28 -3.220 -2.592 -3.100 1.00 0.00 C ATOM 365 O ALA A 28 -4.340 -2.088 -3.157 1.00 0.00 O ATOM 366 CB ALA A 28 -2.009 -3.431 -1.027 1.00 0.00 C ATOM 0 H ALA A 28 -1.651 -5.400 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.903 -4.083 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.437 -2.615 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.875 -4.303 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.043 -3.123 -1.428 1.00 0.00 H new ATOM 372 N LYS A 29 -2.173 -2.176 -3.797 1.00 0.00 N ATOM 373 CA LYS A 29 -2.282 -1.052 -4.712 1.00 0.00 C ATOM 374 C LYS A 29 -3.526 -1.230 -5.585 1.00 0.00 C ATOM 375 O LYS A 29 -4.531 -0.549 -5.386 1.00 0.00 O ATOM 376 CB LYS A 29 -0.988 -0.885 -5.511 1.00 0.00 C ATOM 377 CG LYS A 29 -1.139 0.203 -6.576 1.00 0.00 C ATOM 378 CD LYS A 29 -0.675 1.560 -6.043 1.00 0.00 C ATOM 379 CE LYS A 29 -1.441 2.703 -6.712 1.00 0.00 C ATOM 380 NZ LYS A 29 -0.832 3.040 -8.018 1.00 0.00 N ATOM 0 H LYS A 29 -1.245 -2.597 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.411 -0.121 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.171 -0.629 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.725 -1.830 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.557 -0.063 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.181 0.268 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.823 1.601 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.393 1.679 -6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.483 2.417 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.436 3.580 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.364 3.817 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.156 3.333 -7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.859 2.206 -8.639 1.00 0.00 H new ATOM 394 N ALA A 30 -3.418 -2.148 -6.534 1.00 0.00 N ATOM 395 CA ALA A 30 -4.521 -2.424 -7.438 1.00 0.00 C ATOM 396 C ALA A 30 -5.826 -2.482 -6.641 1.00 0.00 C ATOM 397 O ALA A 30 -6.737 -1.690 -6.878 1.00 0.00 O ATOM 398 CB ALA A 30 -4.245 -3.722 -8.199 1.00 0.00 C ATOM 0 H ALA A 30 -2.583 -2.710 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.620 -1.628 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.073 -3.929 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.323 -3.619 -8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.142 -4.544 -7.491 1.00 0.00 H new ATOM 404 N ARG A 31 -5.873 -3.425 -5.712 1.00 0.00 N ATOM 405 CA ARG A 31 -7.051 -3.596 -4.879 1.00 0.00 C ATOM 406 C ARG A 31 -7.649 -2.235 -4.519 1.00 0.00 C ATOM 407 O ARG A 31 -8.833 -1.992 -4.748 1.00 0.00 O ATOM 408 CB ARG A 31 -6.711 -4.352 -3.593 1.00 0.00 C ATOM 409 CG ARG A 31 -7.915 -4.399 -2.649 1.00 0.00 C ATOM 410 CD ARG A 31 -9.084 -5.151 -3.289 1.00 0.00 C ATOM 411 NE ARG A 31 -10.318 -4.931 -2.503 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.546 -5.264 -2.924 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.711 -5.835 -4.125 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.609 -5.026 -2.144 1.00 0.00 N ATOM 0 H ARG A 31 -5.114 -4.079 -5.518 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.777 -4.177 -5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.395 -5.367 -3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.872 -3.868 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.631 -4.886 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.224 -3.385 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.230 -4.809 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.859 -6.216 -3.337 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.229 -4.499 -1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.902 -6.016 -4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.646 -6.088 -4.445 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.484 -4.591 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.544 -5.279 -2.464 1.00 0.00 H new ATOM 428 N LEU A 32 -6.803 -1.381 -3.961 1.00 0.00 N ATOM 429 CA LEU A 32 -7.233 -0.050 -3.567 1.00 0.00 C ATOM 430 C LEU A 32 -8.015 0.589 -4.716 1.00 0.00 C ATOM 431 O LEU A 32 -9.167 0.984 -4.544 1.00 0.00 O ATOM 432 CB LEU A 32 -6.038 0.782 -3.099 1.00 0.00 C ATOM 433 CG LEU A 32 -6.371 2.057 -2.322 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.203 1.738 -1.078 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.102 2.838 -1.977 1.00 0.00 C ATOM 0 H LEU A 32 -5.822 -1.585 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.908 -0.105 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.406 0.153 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.447 1.057 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.978 2.698 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.426 2.661 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.134 1.257 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.642 1.068 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.368 3.739 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.448 2.217 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.584 3.115 -2.895 1.00 0.00 H new ATOM 447 N ASN A 33 -7.358 0.671 -5.864 1.00 0.00 N ATOM 448 CA ASN A 33 -7.977 1.255 -7.041 1.00 0.00 C ATOM 449 C ASN A 33 -9.260 0.489 -7.371 1.00 0.00 C ATOM 450 O ASN A 33 -10.243 1.080 -7.815 1.00 0.00 O ATOM 451 CB ASN A 33 -7.048 1.167 -8.254 1.00 0.00 C ATOM 452 CG ASN A 33 -6.170 2.415 -8.364 1.00 0.00 C ATOM 453 OD1 ASN A 33 -6.387 3.418 -7.705 1.00 0.00 O ATOM 454 ND2 ASN A 33 -5.169 2.297 -9.232 1.00 0.00 N ATOM 0 H ASN A 33 -6.403 0.342 -6.004 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.189 2.302 -6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.418 0.281 -8.171 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.640 1.053 -9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.526 3.075 -9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.044 1.428 -9.752 1.00 0.00 H new ATOM 461 N GLN A 34 -9.207 -0.815 -7.142 1.00 0.00 N ATOM 462 CA GLN A 34 -10.353 -1.668 -7.409 1.00 0.00 C ATOM 463 C GLN A 34 -11.526 -1.279 -6.509 1.00 0.00 C ATOM 464 O GLN A 34 -12.664 -1.188 -6.969 1.00 0.00 O ATOM 465 CB GLN A 34 -9.991 -3.144 -7.231 1.00 0.00 C ATOM 466 CG GLN A 34 -9.596 -3.777 -8.567 1.00 0.00 C ATOM 467 CD GLN A 34 -9.879 -5.281 -8.565 1.00 0.00 C ATOM 468 OE1 GLN A 34 -10.174 -5.882 -7.546 1.00 0.00 O ATOM 469 NE2 GLN A 34 -9.774 -5.852 -9.762 1.00 0.00 N ATOM 0 H GLN A 34 -8.389 -1.301 -6.775 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.654 -1.524 -8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.168 -3.237 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.839 -3.681 -6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.148 -3.300 -9.377 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.537 -3.603 -8.757 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.523 -5.290 -10.575 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.945 -6.852 -9.867 1.00 0.00 H new ATOM 478 N TYR A 35 -11.210 -1.058 -5.241 1.00 0.00 N ATOM 479 CA TYR A 35 -12.225 -0.681 -4.272 1.00 0.00 C ATOM 480 C TYR A 35 -12.894 0.638 -4.664 1.00 0.00 C ATOM 481 O TYR A 35 -14.082 0.835 -4.412 1.00 0.00 O ATOM 482 CB TYR A 35 -11.489 -0.490 -2.944 1.00 0.00 C ATOM 483 CG TYR A 35 -12.324 0.198 -1.863 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.347 -0.488 -1.239 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.055 1.505 -1.511 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.133 0.161 -0.222 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.841 2.153 -0.493 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.841 1.449 0.101 1.00 0.00 C ATOM 489 OH TYR A 35 -14.584 2.061 1.062 1.00 0.00 O ATOM 0 H TYR A 35 -10.266 -1.133 -4.863 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.002 -1.443 -4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.168 -1.464 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.588 0.097 -3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.558 -1.511 -1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.255 2.042 -1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.937 -0.364 0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.641 3.175 -0.208 1.00 0.00 H new ATOM 0 HH TYR A 35 -15.093 1.388 1.560 1.00 0.00 H new ATOM 499 N PHE A 36 -12.103 1.508 -5.274 1.00 0.00 N ATOM 500 CA PHE A 36 -12.604 2.802 -5.704 1.00 0.00 C ATOM 501 C PHE A 36 -13.360 2.685 -7.029 1.00 0.00 C ATOM 502 O PHE A 36 -14.167 3.550 -7.365 1.00 0.00 O ATOM 503 CB PHE A 36 -11.387 3.709 -5.903 1.00 0.00 C ATOM 504 CG PHE A 36 -10.616 4.007 -4.616 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.282 4.123 -3.436 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.265 4.158 -4.652 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.567 4.400 -2.241 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.550 4.435 -3.457 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.216 4.550 -2.276 1.00 0.00 C ATOM 0 H PHE A 36 -11.118 1.342 -5.481 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.292 3.201 -4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.711 3.241 -6.619 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.716 4.650 -6.343 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.355 4.004 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.736 4.067 -5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.096 4.492 -1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.477 4.554 -3.485 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.672 4.760 -1.367 1.00 0.00 H new ATOM 519 N GLN A 37 -13.072 1.608 -7.745 1.00 0.00 N ATOM 520 CA GLN A 37 -13.715 1.367 -9.025 1.00 0.00 C ATOM 521 C GLN A 37 -15.071 0.690 -8.819 1.00 0.00 C ATOM 522 O GLN A 37 -16.064 1.079 -9.433 1.00 0.00 O ATOM 523 CB GLN A 37 -12.818 0.530 -9.940 1.00 0.00 C ATOM 524 CG GLN A 37 -11.780 1.408 -10.641 1.00 0.00 C ATOM 525 CD GLN A 37 -11.494 0.896 -12.055 1.00 0.00 C ATOM 526 OE1 GLN A 37 -10.648 0.046 -12.276 1.00 0.00 O ATOM 527 NE2 GLN A 37 -12.245 1.461 -12.996 1.00 0.00 N ATOM 0 H GLN A 37 -12.402 0.893 -7.463 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.881 2.328 -9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.314 -0.240 -9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.428 0.017 -10.684 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.140 2.436 -10.688 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.857 1.420 -10.061 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.936 2.167 -12.742 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.130 1.188 -13.972 1.00 0.00 H new ATOM 536 N LYS A 38 -15.071 -0.312 -7.952 1.00 0.00 N ATOM 537 CA LYS A 38 -16.289 -1.047 -7.657 1.00 0.00 C ATOM 538 C LYS A 38 -17.302 -0.105 -7.003 1.00 0.00 C ATOM 539 O LYS A 38 -18.427 0.031 -7.480 1.00 0.00 O ATOM 540 CB LYS A 38 -15.976 -2.290 -6.822 1.00 0.00 C ATOM 541 CG LYS A 38 -15.834 -3.527 -7.711 1.00 0.00 C ATOM 542 CD LYS A 38 -14.379 -3.727 -8.143 1.00 0.00 C ATOM 543 CE LYS A 38 -13.601 -4.526 -7.097 1.00 0.00 C ATOM 544 NZ LYS A 38 -13.002 -5.734 -7.707 1.00 0.00 N ATOM 0 H LYS A 38 -14.246 -0.632 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.744 -1.416 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.054 -2.133 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.769 -2.451 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.182 -4.408 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.467 -3.421 -8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.349 -4.248 -9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.904 -2.757 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.818 -3.904 -6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.266 -4.814 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.007 -5.814 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.524 -6.577 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.054 -5.662 -8.743 1.00 0.00 H new ATOM 558 N GLU A 39 -16.866 0.520 -5.919 1.00 0.00 N ATOM 559 CA GLU A 39 -17.720 1.445 -5.194 1.00 0.00 C ATOM 560 C GLU A 39 -17.913 2.732 -6.000 1.00 0.00 C ATOM 561 O GLU A 39 -18.856 3.484 -5.759 1.00 0.00 O ATOM 562 CB GLU A 39 -17.150 1.747 -3.807 1.00 0.00 C ATOM 563 CG GLU A 39 -17.510 0.641 -2.814 1.00 0.00 C ATOM 564 CD GLU A 39 -18.684 1.062 -1.926 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.833 0.878 -2.380 1.00 0.00 O ATOM 566 OE2 GLU A 39 -18.404 1.560 -0.814 1.00 0.00 O ATOM 0 H GLU A 39 -15.932 0.404 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.694 0.976 -5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.066 1.846 -3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.538 2.701 -3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.767 -0.269 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.645 0.409 -2.193 1.00 0.00 H new ATOM 573 N LYS A 40 -17.004 2.946 -6.940 1.00 0.00 N ATOM 574 CA LYS A 40 -17.062 4.129 -7.782 1.00 0.00 C ATOM 575 C LYS A 40 -16.548 5.335 -6.995 1.00 0.00 C ATOM 576 O LYS A 40 -16.784 6.479 -7.380 1.00 0.00 O ATOM 577 CB LYS A 40 -18.473 4.317 -8.344 1.00 0.00 C ATOM 578 CG LYS A 40 -19.043 2.991 -8.850 1.00 0.00 C ATOM 579 CD LYS A 40 -18.529 2.674 -10.256 1.00 0.00 C ATOM 580 CE LYS A 40 -19.677 2.658 -11.268 1.00 0.00 C ATOM 581 NZ LYS A 40 -19.317 3.439 -12.473 1.00 0.00 N ATOM 0 H LYS A 40 -16.223 2.320 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.411 4.013 -8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.124 4.726 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.450 5.041 -9.158 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.765 2.188 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.132 3.039 -8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.788 3.417 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.027 1.706 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.908 1.630 -11.549 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.576 3.074 -10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.107 3.418 -13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.119 4.424 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.472 3.025 -12.915 1.00 0.00 H new ATOM 595 N ILE A 41 -15.854 5.039 -5.906 1.00 0.00 N ATOM 596 CA ILE A 41 -15.303 6.086 -5.061 1.00 0.00 C ATOM 597 C ILE A 41 -14.114 6.735 -5.771 1.00 0.00 C ATOM 598 O ILE A 41 -13.611 6.204 -6.760 1.00 0.00 O ATOM 599 CB ILE A 41 -14.965 5.533 -3.675 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.221 5.017 -2.969 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.224 6.575 -2.835 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.865 3.969 -1.913 1.00 0.00 C ATOM 0 H ILE A 41 -15.660 4.089 -5.589 1.00 0.00 H new ATOM 0 HA ILE A 41 -16.042 6.870 -4.895 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.294 4.683 -3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.746 5.849 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.902 4.584 -3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.996 6.157 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.297 6.853 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.851 7.459 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.775 3.619 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.362 3.128 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.203 4.412 -1.169 1.00 0.00 H new ATOM 614 N GLN A 42 -13.699 7.876 -5.239 1.00 0.00 N ATOM 615 CA GLN A 42 -12.578 8.603 -5.809 1.00 0.00 C ATOM 616 C GLN A 42 -11.531 8.896 -4.732 1.00 0.00 C ATOM 617 O GLN A 42 -11.852 9.458 -3.686 1.00 0.00 O ATOM 618 CB GLN A 42 -13.047 9.895 -6.482 1.00 0.00 C ATOM 619 CG GLN A 42 -14.052 10.638 -5.599 1.00 0.00 C ATOM 620 CD GLN A 42 -14.724 11.775 -6.372 1.00 0.00 C ATOM 621 OE1 GLN A 42 -15.365 11.574 -7.391 1.00 0.00 O ATOM 622 NE2 GLN A 42 -14.543 12.977 -5.833 1.00 0.00 N ATOM 0 H GLN A 42 -14.119 8.314 -4.419 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.118 7.978 -6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.189 10.537 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.504 9.663 -7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.809 9.942 -5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.544 11.040 -4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.995 13.075 -4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.952 13.801 -6.274 1.00 0.00 H new ATOM 631 N GLY A 43 -10.301 8.501 -5.024 1.00 0.00 N ATOM 632 CA GLY A 43 -9.206 8.713 -4.093 1.00 0.00 C ATOM 633 C GLY A 43 -7.858 8.680 -4.817 1.00 0.00 C ATOM 634 O GLY A 43 -7.598 7.779 -5.612 1.00 0.00 O ATOM 0 H GLY A 43 -10.038 8.035 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.330 9.673 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.227 7.945 -3.320 1.00 0.00 H new ATOM 638 N GLU A 44 -7.035 9.674 -4.514 1.00 0.00 N ATOM 639 CA GLU A 44 -5.720 9.770 -5.125 1.00 0.00 C ATOM 640 C GLU A 44 -4.633 9.758 -4.049 1.00 0.00 C ATOM 641 O GLU A 44 -4.923 9.557 -2.870 1.00 0.00 O ATOM 642 CB GLU A 44 -5.612 11.020 -6.000 1.00 0.00 C ATOM 643 CG GLU A 44 -6.548 12.122 -5.499 1.00 0.00 C ATOM 644 CD GLU A 44 -6.462 13.362 -6.392 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.500 14.136 -6.197 1.00 0.00 O ATOM 646 OE2 GLU A 44 -7.360 13.507 -7.249 1.00 0.00 O ATOM 0 H GLU A 44 -7.254 10.420 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.576 8.903 -5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.584 11.382 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.859 10.769 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.573 11.753 -5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.287 12.388 -4.475 1.00 0.00 H new ATOM 653 N TYR A 45 -3.404 9.976 -4.492 1.00 0.00 N ATOM 654 CA TYR A 45 -2.271 9.994 -3.582 1.00 0.00 C ATOM 655 C TYR A 45 -1.611 11.374 -3.555 1.00 0.00 C ATOM 656 O TYR A 45 -1.554 12.059 -4.575 1.00 0.00 O ATOM 657 CB TYR A 45 -1.272 8.974 -4.132 1.00 0.00 C ATOM 658 CG TYR A 45 -1.776 7.530 -4.101 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.757 7.122 -4.983 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.251 6.635 -3.191 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.231 5.762 -4.953 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.725 5.276 -3.161 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.692 4.907 -4.044 1.00 0.00 C ATOM 664 OH TYR A 45 -3.140 3.623 -4.016 1.00 0.00 O ATOM 0 H TYR A 45 -3.167 10.142 -5.470 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.591 9.760 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.026 9.240 -5.160 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.349 9.038 -3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.169 7.822 -5.695 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.484 6.954 -2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.997 5.429 -5.637 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.322 4.566 -2.454 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.428 3.357 -4.914 1.00 0.00 H new ATOM 674 N LYS A 46 -1.128 11.740 -2.377 1.00 0.00 N ATOM 675 CA LYS A 46 -0.474 13.026 -2.203 1.00 0.00 C ATOM 676 C LYS A 46 1.035 12.811 -2.069 1.00 0.00 C ATOM 677 O LYS A 46 1.515 12.390 -1.018 1.00 0.00 O ATOM 678 CB LYS A 46 -1.093 13.788 -1.030 1.00 0.00 C ATOM 679 CG LYS A 46 -1.937 14.965 -1.525 1.00 0.00 C ATOM 680 CD LYS A 46 -3.391 14.543 -1.744 1.00 0.00 C ATOM 681 CE LYS A 46 -4.195 15.667 -2.402 1.00 0.00 C ATOM 682 NZ LYS A 46 -4.704 16.608 -1.379 1.00 0.00 N ATOM 0 H LYS A 46 -1.176 11.169 -1.534 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.631 13.655 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.714 13.113 -0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.304 14.153 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.896 15.777 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.522 15.349 -2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.424 13.652 -2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.844 14.278 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.568 16.201 -3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.029 15.245 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.247 17.364 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.319 16.098 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.904 17.024 -0.861 1.00 0.00 H new ATOM 696 N TYR A 47 1.741 13.111 -3.149 1.00 0.00 N ATOM 697 CA TYR A 47 3.186 12.956 -3.165 1.00 0.00 C ATOM 698 C TYR A 47 3.881 14.245 -2.721 1.00 0.00 C ATOM 699 O TYR A 47 3.733 15.286 -3.359 1.00 0.00 O ATOM 700 CB TYR A 47 3.563 12.663 -4.619 1.00 0.00 C ATOM 701 CG TYR A 47 2.911 11.401 -5.188 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.409 10.158 -4.857 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.825 11.507 -6.033 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.796 8.970 -5.393 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.211 10.319 -6.569 1.00 0.00 C ATOM 706 CZ TYR A 47 1.727 9.109 -6.222 1.00 0.00 C ATOM 707 OH TYR A 47 1.148 7.988 -6.728 1.00 0.00 O ATOM 0 H TYR A 47 1.340 13.461 -4.019 1.00 0.00 H new ATOM 0 HA TYR A 47 3.494 12.162 -2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.280 13.516 -5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.646 12.564 -4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.259 10.076 -4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.435 12.480 -6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.177 7.991 -5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.361 10.387 -7.231 1.00 0.00 H new ATOM 0 HH TYR A 47 0.395 8.240 -7.303 1.00 0.00 H new ATOM 717 N THR A 48 4.624 14.133 -1.630 1.00 0.00 N ATOM 718 CA THR A 48 5.342 15.277 -1.093 1.00 0.00 C ATOM 719 C THR A 48 6.851 15.078 -1.245 1.00 0.00 C ATOM 720 O THR A 48 7.438 14.223 -0.584 1.00 0.00 O ATOM 721 CB THR A 48 4.898 15.475 0.358 1.00 0.00 C ATOM 722 OG1 THR A 48 3.591 16.033 0.248 1.00 0.00 O ATOM 723 CG2 THR A 48 5.707 16.557 1.075 1.00 0.00 C ATOM 0 H THR A 48 4.745 13.268 -1.103 1.00 0.00 H new ATOM 0 HA THR A 48 5.108 16.187 -1.646 1.00 0.00 H new ATOM 0 HB THR A 48 4.993 14.533 0.899 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.227 16.192 1.144 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.352 16.657 2.101 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.761 16.279 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.586 17.507 0.554 1.00 0.00 H new ATOM 731 N GLN A 49 7.436 15.883 -2.119 1.00 0.00 N ATOM 732 CA GLN A 49 8.866 15.806 -2.367 1.00 0.00 C ATOM 733 C GLN A 49 9.639 16.443 -1.210 1.00 0.00 C ATOM 734 O GLN A 49 9.385 17.590 -0.845 1.00 0.00 O ATOM 735 CB GLN A 49 9.228 16.467 -3.698 1.00 0.00 C ATOM 736 CG GLN A 49 10.658 16.114 -4.114 1.00 0.00 C ATOM 737 CD GLN A 49 11.407 17.354 -4.607 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.947 18.089 -5.465 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.585 17.544 -4.019 1.00 0.00 N ATOM 0 H GLN A 49 6.946 16.592 -2.665 1.00 0.00 H new ATOM 0 HA GLN A 49 9.148 14.755 -2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.530 16.144 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.127 17.549 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.189 15.676 -3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.636 15.361 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.911 16.890 -3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.162 18.344 -4.280 1.00 0.00 H new ATOM 748 N VAL A 50 10.569 15.671 -0.666 1.00 0.00 N ATOM 749 CA VAL A 50 11.381 16.145 0.442 1.00 0.00 C ATOM 750 C VAL A 50 12.856 15.871 0.141 1.00 0.00 C ATOM 751 O VAL A 50 13.180 15.212 -0.846 1.00 0.00 O ATOM 752 CB VAL A 50 10.909 15.505 1.749 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.539 16.048 2.161 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.882 13.980 1.634 1.00 0.00 C ATOM 0 H VAL A 50 10.778 14.721 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 50 11.268 17.222 0.564 1.00 0.00 H new ATOM 0 HB VAL A 50 11.623 15.769 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.226 15.577 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.603 17.127 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.811 15.827 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.543 13.550 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.200 13.687 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.884 13.614 1.408 1.00 0.00 H new ATOM 764 N GLY A 51 13.710 16.391 1.009 1.00 0.00 N ATOM 765 CA GLY A 51 15.143 16.211 0.849 1.00 0.00 C ATOM 766 C GLY A 51 15.656 16.961 -0.382 1.00 0.00 C ATOM 767 O GLY A 51 14.876 17.576 -1.108 1.00 0.00 O ATOM 0 H GLY A 51 13.437 16.937 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.660 16.570 1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.371 15.149 0.754 1.00 0.00 H new ATOM 771 N PRO A 52 16.998 16.883 -0.584 1.00 0.00 N ATOM 772 CA PRO A 52 17.624 17.548 -1.715 1.00 0.00 C ATOM 773 C PRO A 52 17.349 16.791 -3.016 1.00 0.00 C ATOM 774 O PRO A 52 16.961 15.624 -2.990 1.00 0.00 O ATOM 775 CB PRO A 52 19.102 17.611 -1.366 1.00 0.00 C ATOM 776 CG PRO A 52 19.317 16.573 -0.275 1.00 0.00 C ATOM 777 CD PRO A 52 17.953 16.164 0.254 1.00 0.00 C ATOM 0 HA PRO A 52 17.226 18.548 -1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.719 17.395 -2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.379 18.606 -1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.848 15.707 -0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.930 16.984 0.527 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.808 15.086 0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.839 16.433 1.304 1.00 0.00 H new ATOM 785 N ASP A 53 17.562 17.486 -4.124 1.00 0.00 N ATOM 786 CA ASP A 53 17.342 16.895 -5.433 1.00 0.00 C ATOM 787 C ASP A 53 18.219 15.649 -5.579 1.00 0.00 C ATOM 788 O ASP A 53 17.719 14.565 -5.874 1.00 0.00 O ATOM 789 CB ASP A 53 17.718 17.871 -6.549 1.00 0.00 C ATOM 790 CG ASP A 53 17.047 19.243 -6.461 1.00 0.00 C ATOM 791 OD1 ASP A 53 15.802 19.273 -6.558 1.00 0.00 O ATOM 792 OD2 ASP A 53 17.795 20.231 -6.299 1.00 0.00 O ATOM 0 H ASP A 53 17.885 18.453 -4.142 1.00 0.00 H new ATOM 0 HA ASP A 53 16.285 16.643 -5.516 1.00 0.00 H new ATOM 0 HB2 ASP A 53 18.799 18.011 -6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.463 17.419 -7.508 1.00 0.00 H new ATOM 797 N HIS A 54 19.512 15.846 -5.365 1.00 0.00 N ATOM 798 CA HIS A 54 20.463 14.753 -5.469 1.00 0.00 C ATOM 799 C HIS A 54 19.887 13.506 -4.794 1.00 0.00 C ATOM 800 O HIS A 54 20.099 12.389 -5.262 1.00 0.00 O ATOM 801 CB HIS A 54 21.823 15.160 -4.900 1.00 0.00 C ATOM 802 CG HIS A 54 22.000 14.832 -3.436 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.233 13.643 -2.811 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 21.941 15.792 -2.441 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.314 13.864 -1.505 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 22.133 15.196 -1.273 1.00 0.00 N flip ATOM 0 H HIS A 54 19.923 16.747 -5.120 1.00 0.00 H new ATOM 0 HA HIS A 54 20.631 14.511 -6.518 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.607 14.663 -5.471 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.958 16.232 -5.040 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.768 16.847 -2.591 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.494 13.113 -0.750 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.144 15.653 -0.361 1.00 0.00 H new ATOM 814 N ASN A 55 19.170 13.740 -3.705 1.00 0.00 N ATOM 815 CA ASN A 55 18.562 12.650 -2.960 1.00 0.00 C ATOM 816 C ASN A 55 17.251 13.133 -2.336 1.00 0.00 C ATOM 817 O ASN A 55 17.233 13.580 -1.191 1.00 0.00 O ATOM 818 CB ASN A 55 19.478 12.177 -1.830 1.00 0.00 C ATOM 819 CG ASN A 55 19.085 10.776 -1.356 1.00 0.00 C ATOM 820 OD1 ASN A 55 19.541 9.768 -1.869 1.00 0.00 O ATOM 821 ND2 ASN A 55 18.215 10.770 -0.350 1.00 0.00 N ATOM 0 H ASN A 55 18.996 14.669 -3.320 1.00 0.00 H new ATOM 0 HA ASN A 55 18.387 11.825 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.512 12.172 -2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.423 12.876 -0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 55 17.890 9.884 0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 55 17.873 11.651 0.033 1.00 0.00 H new ATOM 828 N ARG A 56 16.186 13.026 -3.117 1.00 0.00 N ATOM 829 CA ARG A 56 14.874 13.446 -2.655 1.00 0.00 C ATOM 830 C ARG A 56 13.918 12.253 -2.618 1.00 0.00 C ATOM 831 O ARG A 56 14.213 11.198 -3.178 1.00 0.00 O ATOM 832 CB ARG A 56 14.292 14.530 -3.564 1.00 0.00 C ATOM 833 CG ARG A 56 14.412 14.134 -5.037 1.00 0.00 C ATOM 834 CD ARG A 56 13.259 14.717 -5.857 1.00 0.00 C ATOM 835 NE ARG A 56 13.793 15.528 -6.974 1.00 0.00 N ATOM 836 CZ ARG A 56 14.240 15.015 -8.128 1.00 0.00 C ATOM 837 NH1 ARG A 56 14.220 13.690 -8.325 1.00 0.00 N ATOM 838 NH2 ARG A 56 14.707 15.827 -9.087 1.00 0.00 N ATOM 0 H ARG A 56 16.205 12.655 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 56 14.990 13.854 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.244 14.696 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.814 15.471 -3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.362 14.488 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.414 13.048 -5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.635 13.912 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.624 15.333 -5.220 1.00 0.00 H new ATOM 0 HE ARG A 56 13.823 16.541 -6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.864 13.071 -7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.560 13.300 -9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.722 16.836 -8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.047 15.436 -9.965 1.00 0.00 H new ATOM 852 N SER A 57 12.790 12.459 -1.953 1.00 0.00 N ATOM 853 CA SER A 57 11.788 11.414 -1.836 1.00 0.00 C ATOM 854 C SER A 57 10.386 12.026 -1.872 1.00 0.00 C ATOM 855 O SER A 57 10.145 13.070 -1.269 1.00 0.00 O ATOM 856 CB SER A 57 11.982 10.607 -0.551 1.00 0.00 C ATOM 857 OG SER A 57 13.357 10.342 -0.289 1.00 0.00 O ATOM 0 H SER A 57 12.548 13.335 -1.490 1.00 0.00 H new ATOM 0 HA SER A 57 11.902 10.735 -2.681 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.552 11.153 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.440 9.665 -0.629 1.00 0.00 H new ATOM 0 HG SER A 57 13.439 9.826 0.540 1.00 0.00 H new ATOM 863 N PHE A 58 9.498 11.350 -2.586 1.00 0.00 N ATOM 864 CA PHE A 58 8.127 11.814 -2.709 1.00 0.00 C ATOM 865 C PHE A 58 7.214 11.097 -1.712 1.00 0.00 C ATOM 866 O PHE A 58 6.786 9.970 -1.957 1.00 0.00 O ATOM 867 CB PHE A 58 7.669 11.484 -4.131 1.00 0.00 C ATOM 868 CG PHE A 58 8.220 12.432 -5.198 1.00 0.00 C ATOM 869 CD1 PHE A 58 7.598 13.617 -5.441 1.00 0.00 C ATOM 870 CD2 PHE A 58 9.330 12.089 -5.904 1.00 0.00 C ATOM 871 CE1 PHE A 58 8.109 14.497 -6.432 1.00 0.00 C ATOM 872 CE2 PHE A 58 9.842 12.969 -6.894 1.00 0.00 C ATOM 873 CZ PHE A 58 9.220 14.154 -7.137 1.00 0.00 C ATOM 0 H PHE A 58 9.702 10.484 -3.085 1.00 0.00 H new ATOM 0 HA PHE A 58 8.076 12.883 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.973 10.466 -4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.580 11.508 -4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.716 13.889 -4.881 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.822 11.147 -5.712 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.615 15.438 -6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.725 12.697 -7.454 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.609 14.823 -7.890 1.00 0.00 H new ATOM 883 N ILE A 59 6.943 11.780 -0.610 1.00 0.00 N ATOM 884 CA ILE A 59 6.088 11.222 0.425 1.00 0.00 C ATOM 885 C ILE A 59 4.666 11.076 -0.119 1.00 0.00 C ATOM 886 O ILE A 59 3.932 12.058 -0.220 1.00 0.00 O ATOM 887 CB ILE A 59 6.176 12.061 1.701 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.418 11.693 2.515 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.893 11.940 2.526 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.944 12.903 3.291 1.00 0.00 C ATOM 0 H ILE A 59 7.300 12.714 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 59 6.427 10.224 0.703 1.00 0.00 H new ATOM 0 HB ILE A 59 6.278 13.108 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.177 10.888 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.195 11.317 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.982 12.546 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.046 12.290 1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.736 10.898 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.827 12.614 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.207 13.697 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.173 13.261 3.973 1.00 0.00 H new ATOM 902 N ALA A 60 4.319 9.842 -0.454 1.00 0.00 N ATOM 903 CA ALA A 60 2.997 9.555 -0.985 1.00 0.00 C ATOM 904 C ALA A 60 2.039 9.267 0.173 1.00 0.00 C ATOM 905 O ALA A 60 2.139 8.228 0.823 1.00 0.00 O ATOM 906 CB ALA A 60 3.085 8.389 -1.971 1.00 0.00 C ATOM 0 H ALA A 60 4.930 9.030 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 60 2.607 10.415 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.093 8.174 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.755 8.654 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.469 7.507 -1.458 1.00 0.00 H new ATOM 912 N GLU A 61 1.132 10.207 0.396 1.00 0.00 N ATOM 913 CA GLU A 61 0.157 10.068 1.464 1.00 0.00 C ATOM 914 C GLU A 61 -1.258 9.998 0.885 1.00 0.00 C ATOM 915 O GLU A 61 -1.583 10.718 -0.058 1.00 0.00 O ATOM 916 CB GLU A 61 0.281 11.212 2.472 1.00 0.00 C ATOM 917 CG GLU A 61 -0.276 12.515 1.894 1.00 0.00 C ATOM 918 CD GLU A 61 0.022 13.696 2.820 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.196 14.124 2.835 1.00 0.00 O ATOM 920 OE2 GLU A 61 -0.932 14.144 3.493 1.00 0.00 O ATOM 0 H GLU A 61 1.052 11.068 -0.145 1.00 0.00 H new ATOM 0 HA GLU A 61 0.358 9.137 1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.256 10.956 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.327 11.349 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.161 12.698 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.353 12.423 1.751 1.00 0.00 H new ATOM 927 N MET A 62 -2.062 9.125 1.474 1.00 0.00 N ATOM 928 CA MET A 62 -3.434 8.952 1.028 1.00 0.00 C ATOM 929 C MET A 62 -4.372 8.728 2.216 1.00 0.00 C ATOM 930 O MET A 62 -4.002 8.071 3.189 1.00 0.00 O ATOM 931 CB MET A 62 -3.516 7.754 0.080 1.00 0.00 C ATOM 932 CG MET A 62 -4.971 7.360 -0.181 1.00 0.00 C ATOM 933 SD MET A 62 -5.037 5.998 -1.333 1.00 0.00 S ATOM 934 CE MET A 62 -5.094 6.897 -2.874 1.00 0.00 C ATOM 0 H MET A 62 -1.790 8.530 2.256 1.00 0.00 H new ATOM 0 HA MET A 62 -3.745 9.859 0.509 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.027 7.998 -0.863 1.00 0.00 H new ATOM 0 HB3 MET A 62 -2.978 6.909 0.509 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.454 7.079 0.755 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.521 8.212 -0.580 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.192 6.195 -3.702 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.949 7.574 -2.869 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.176 7.473 -2.994 1.00 0.00 H new ATOM 944 N THR A 63 -5.567 9.286 2.099 1.00 0.00 N ATOM 945 CA THR A 63 -6.561 9.156 3.151 1.00 0.00 C ATOM 946 C THR A 63 -7.922 8.789 2.556 1.00 0.00 C ATOM 947 O THR A 63 -8.335 9.356 1.546 1.00 0.00 O ATOM 948 CB THR A 63 -6.578 10.460 3.949 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.201 10.749 4.174 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.155 10.279 5.355 1.00 0.00 C ATOM 0 H THR A 63 -5.870 9.830 1.291 1.00 0.00 H new ATOM 0 HA THR A 63 -6.311 8.344 3.834 1.00 0.00 H new ATOM 0 HB THR A 63 -7.161 11.207 3.410 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.934 10.408 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.144 11.235 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.180 9.916 5.284 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.552 9.557 5.906 1.00 0.00 H new ATOM 958 N ILE A 64 -8.582 7.843 3.209 1.00 0.00 N ATOM 959 CA ILE A 64 -9.888 7.394 2.757 1.00 0.00 C ATOM 960 C ILE A 64 -10.816 7.243 3.964 1.00 0.00 C ATOM 961 O ILE A 64 -10.360 6.955 5.070 1.00 0.00 O ATOM 962 CB ILE A 64 -9.756 6.120 1.920 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.706 5.179 2.514 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.464 6.455 0.456 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.872 3.759 1.968 1.00 0.00 C ATOM 0 H ILE A 64 -8.237 7.375 4.047 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.339 8.136 2.098 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.710 5.593 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.707 5.548 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.795 5.168 3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.375 5.532 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.278 7.057 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.531 7.015 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.114 3.110 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.863 3.384 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.758 3.770 0.884 1.00 0.00 H new ATOM 977 N TYR A 65 -12.101 7.444 3.712 1.00 0.00 N ATOM 978 CA TYR A 65 -13.097 7.335 4.764 1.00 0.00 C ATOM 979 C TYR A 65 -14.095 6.216 4.459 1.00 0.00 C ATOM 980 O TYR A 65 -14.557 6.082 3.327 1.00 0.00 O ATOM 981 CB TYR A 65 -13.839 8.672 4.783 1.00 0.00 C ATOM 982 CG TYR A 65 -15.090 8.677 5.664 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.251 8.080 5.216 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.058 9.278 6.906 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.429 8.084 6.045 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.235 9.282 7.734 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.363 8.685 7.263 1.00 0.00 C ATOM 988 OH TYR A 65 -18.475 8.689 8.045 1.00 0.00 O ATOM 0 H TYR A 65 -12.476 7.682 2.794 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.623 7.107 5.719 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.158 9.449 5.132 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.124 8.932 3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.276 7.610 4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.150 9.745 7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.344 7.620 5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.223 9.749 8.708 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.281 9.152 8.887 1.00 0.00 H new ATOM 998 N ILE A 66 -14.398 5.440 5.490 1.00 0.00 N ATOM 999 CA ILE A 66 -15.333 4.337 5.346 1.00 0.00 C ATOM 1000 C ILE A 66 -16.624 4.668 6.097 1.00 0.00 C ATOM 1001 O ILE A 66 -16.610 4.851 7.313 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.684 3.024 5.789 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.276 2.884 5.206 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.571 1.828 5.437 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.296 3.032 3.683 1.00 0.00 C ATOM 0 H ILE A 66 -14.013 5.553 6.428 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.599 4.197 4.298 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.583 3.042 6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.622 3.640 5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.862 1.912 5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.087 0.907 5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.533 1.929 5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.726 1.795 4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.283 2.928 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.932 2.259 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.688 4.014 3.418 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.710 4.735 5.340 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.008 5.041 5.919 1.00 0.00 C ATOM 1019 C LYS A 67 -19.552 3.797 6.624 1.00 0.00 C ATOM 1020 O LYS A 67 -20.173 3.901 7.681 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.949 5.606 4.853 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.013 4.684 3.634 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.549 5.412 2.371 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.497 5.141 1.201 1.00 0.00 C ATOM 1025 NZ LYS A 67 -21.432 6.274 1.019 1.00 0.00 N ATOM 0 H LYS A 67 -17.718 4.583 4.331 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.915 5.821 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.947 5.730 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.607 6.595 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.388 3.807 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.033 4.326 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.499 6.484 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.542 5.088 2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -19.922 4.986 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.058 4.225 1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -22.068 6.074 0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -21.993 6.404 1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -20.893 7.141 0.823 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.301 2.650 6.011 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.759 1.388 6.567 1.00 0.00 C ATOM 1041 C GLN A 68 -19.135 1.159 7.946 1.00 0.00 C ATOM 1042 O GLN A 68 -19.590 0.301 8.701 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.444 0.226 5.623 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.936 -0.022 5.542 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.639 -1.476 5.170 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.037 -1.621 3.993 1.00 0.00 O flip ATOM 1047 NE2 GLN A 68 -17.937 -2.404 5.903 1.00 0.00 N flip ATOM 0 H GLN A 68 -18.786 2.568 5.134 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.842 1.435 6.682 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.946 -0.676 5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.834 0.444 4.629 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.493 0.644 4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.473 0.214 6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.398 -2.222 6.794 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.725 -3.362 5.625 1.00 0.00 H new ATOM 1056 N LEU A 69 -18.104 1.940 8.231 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.414 1.833 9.505 1.00 0.00 C ATOM 1058 C LEU A 69 -17.705 3.078 10.345 1.00 0.00 C ATOM 1059 O LEU A 69 -17.812 2.996 11.567 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.922 1.574 9.286 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.569 0.322 8.480 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -14.089 -0.032 8.636 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.481 -0.848 8.857 1.00 0.00 C ATOM 0 H LEU A 69 -17.730 2.650 7.601 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.784 0.976 10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.494 2.440 8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.439 1.502 10.261 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.739 0.536 7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.865 -0.925 8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.477 0.797 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.869 -0.220 9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.209 -1.725 8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.366 -1.072 9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.518 -0.582 8.652 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.825 4.203 9.655 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.102 5.464 10.322 1.00 0.00 C ATOM 1077 C GLY A 70 -16.805 6.200 10.663 1.00 0.00 C ATOM 1078 O GLY A 70 -16.827 7.215 11.358 1.00 0.00 O ATOM 0 H GLY A 70 -17.735 4.267 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.722 6.090 9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.671 5.280 11.234 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.705 5.661 10.157 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.401 6.254 10.400 1.00 0.00 C ATOM 1084 C ARG A 71 -13.596 6.315 9.100 1.00 0.00 C ATOM 1085 O ARG A 71 -14.084 5.916 8.044 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.616 5.452 11.440 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.400 4.011 10.974 1.00 0.00 C ATOM 1088 CD ARG A 71 -11.922 3.624 11.055 1.00 0.00 C ATOM 1089 NE ARG A 71 -11.455 3.701 12.457 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.767 4.733 12.964 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.462 5.781 12.187 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -10.384 4.717 14.248 1.00 0.00 N ATOM 0 H ARG A 71 -15.690 4.820 9.580 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.561 7.263 10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.652 5.928 11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.154 5.454 12.388 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.991 3.333 11.590 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.753 3.900 9.949 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.780 2.614 10.671 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.328 4.289 10.428 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.670 2.920 13.076 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.754 5.793 11.210 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.938 6.567 12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.616 3.919 14.840 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.860 5.503 14.634 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.376 6.818 9.220 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.499 6.937 8.068 1.00 0.00 C ATOM 1108 C ARG A 72 -10.069 6.549 8.448 1.00 0.00 C ATOM 1109 O ARG A 72 -9.674 6.676 9.606 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.504 8.365 7.517 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.301 9.386 8.638 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.078 10.263 8.366 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.420 11.688 8.572 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.227 12.391 7.765 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.779 11.805 6.694 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.482 13.679 8.030 1.00 0.00 N ATOM 0 H ARG A 72 -11.974 7.148 10.098 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.870 6.261 7.297 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.715 8.474 6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.449 8.560 7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.189 10.012 8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.177 8.868 9.589 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.261 9.977 9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.729 10.108 7.345 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.016 12.165 9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.585 10.824 6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.393 12.340 6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.062 14.125 8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.096 14.214 7.416 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.331 6.085 7.450 1.00 0.00 N ATOM 1131 CA ILE A 73 -7.953 5.678 7.665 1.00 0.00 C ATOM 1132 C ILE A 73 -7.032 6.524 6.782 1.00 0.00 C ATOM 1133 O ILE A 73 -7.333 6.761 5.614 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.799 4.171 7.448 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.329 3.759 6.073 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.463 3.384 8.578 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.828 2.365 5.688 1.00 0.00 C ATOM 0 H ILE A 73 -9.662 5.982 6.491 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.659 5.859 8.699 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.736 3.929 7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.419 3.768 6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.010 4.484 5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.339 2.316 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.999 3.649 9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.525 3.625 8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.219 2.096 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.738 2.366 5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.169 1.639 6.426 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.929 6.955 7.376 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.962 7.769 6.658 1.00 0.00 C ATOM 1151 C PHE A 74 -3.617 7.049 6.543 1.00 0.00 C ATOM 1152 O PHE A 74 -3.297 6.188 7.361 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.771 9.053 7.467 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.515 9.842 7.095 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.286 9.358 7.420 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.626 11.028 6.438 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.120 10.090 7.075 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.459 11.760 6.092 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.231 11.276 6.418 1.00 0.00 C ATOM 0 H PHE A 74 -5.683 6.756 8.346 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.323 7.972 5.650 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.643 9.691 7.327 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.728 8.800 8.526 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.197 8.416 7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.601 11.413 6.180 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.145 9.705 7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.547 12.701 5.570 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.344 11.833 6.155 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.866 7.427 5.519 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.563 6.828 5.286 1.00 0.00 C ATOM 1171 C ALA A 75 -0.588 7.908 4.810 1.00 0.00 C ATOM 1172 O ALA A 75 -1.005 8.931 4.270 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.700 5.683 4.281 1.00 0.00 C ATOM 0 H ALA A 75 -3.135 8.140 4.841 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.164 6.406 6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.723 5.234 4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.380 4.930 4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.095 6.069 3.341 1.00 0.00 H new ATOM 1179 N ARG A 76 0.692 7.642 5.028 1.00 0.00 N ATOM 1180 CA ARG A 76 1.729 8.578 4.629 1.00 0.00 C ATOM 1181 C ARG A 76 3.103 7.908 4.697 1.00 0.00 C ATOM 1182 O ARG A 76 3.723 7.862 5.758 1.00 0.00 O ATOM 1183 CB ARG A 76 1.728 9.817 5.526 1.00 0.00 C ATOM 1184 CG ARG A 76 2.665 10.894 4.975 1.00 0.00 C ATOM 1185 CD ARG A 76 3.633 11.384 6.054 1.00 0.00 C ATOM 1186 NE ARG A 76 4.669 10.358 6.306 1.00 0.00 N ATOM 1187 CZ ARG A 76 5.816 10.594 6.958 1.00 0.00 C ATOM 1188 NH1 ARG A 76 6.081 11.821 7.427 1.00 0.00 N ATOM 1189 NH2 ARG A 76 6.699 9.603 7.141 1.00 0.00 N ATOM 0 H ARG A 76 1.034 6.792 5.476 1.00 0.00 H new ATOM 0 HA ARG A 76 1.521 8.886 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.716 10.215 5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.038 9.541 6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.228 10.494 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.079 11.733 4.599 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.101 12.316 5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.088 11.597 6.974 1.00 0.00 H new ATOM 0 HE ARG A 76 4.500 9.413 5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.410 12.576 7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.954 12.000 7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.498 8.669 6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.572 9.783 7.637 1.00 0.00 H new ATOM 1203 N GLU A 77 3.538 7.406 3.551 1.00 0.00 N ATOM 1204 CA GLU A 77 4.827 6.741 3.467 1.00 0.00 C ATOM 1205 C GLU A 77 5.838 7.631 2.742 1.00 0.00 C ATOM 1206 O GLU A 77 5.537 8.778 2.413 1.00 0.00 O ATOM 1207 CB GLU A 77 4.699 5.382 2.776 1.00 0.00 C ATOM 1208 CG GLU A 77 3.876 4.410 3.624 1.00 0.00 C ATOM 1209 CD GLU A 77 4.783 3.524 4.479 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.356 2.574 3.903 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.883 3.816 5.691 1.00 0.00 O ATOM 0 H GLU A 77 3.021 7.446 2.673 1.00 0.00 H new ATOM 0 HA GLU A 77 5.189 6.564 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.228 5.509 1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.691 4.966 2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.197 4.969 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.260 3.787 2.975 1.00 0.00 H new ATOM 1218 N HIS A 78 7.017 7.071 2.515 1.00 0.00 N ATOM 1219 CA HIS A 78 8.074 7.800 1.835 1.00 0.00 C ATOM 1220 C HIS A 78 8.828 6.856 0.897 1.00 0.00 C ATOM 1221 O HIS A 78 10.030 6.648 1.054 1.00 0.00 O ATOM 1222 CB HIS A 78 8.993 8.491 2.845 1.00 0.00 C ATOM 1223 CG HIS A 78 9.226 7.697 4.107 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.533 6.348 4.098 1.00 0.00 N ATOM 1225 CD2 HIS A 78 9.195 8.076 5.417 1.00 0.00 C ATOM 1226 CE1 HIS A 78 9.677 5.943 5.351 1.00 0.00 C ATOM 1227 NE2 HIS A 78 9.467 7.015 6.168 1.00 0.00 N ATOM 0 H HIS A 78 7.264 6.120 2.790 1.00 0.00 H new ATOM 0 HA HIS A 78 7.640 8.592 1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.954 8.689 2.370 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.563 9.457 3.110 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.985 9.071 5.782 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.918 4.940 5.670 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.512 7.004 7.187 1.00 0.00 H new ATOM 1235 N GLY A 79 8.090 6.309 -0.058 1.00 0.00 N ATOM 1236 CA GLY A 79 8.674 5.391 -1.021 1.00 0.00 C ATOM 1237 C GLY A 79 9.744 6.088 -1.864 1.00 0.00 C ATOM 1238 O GLY A 79 10.101 7.234 -1.596 1.00 0.00 O ATOM 0 H GLY A 79 7.093 6.484 -0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.114 4.542 -0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.894 4.996 -1.672 1.00 0.00 H new ATOM 1242 N SER A 80 10.226 5.367 -2.866 1.00 0.00 N ATOM 1243 CA SER A 80 11.248 5.902 -3.749 1.00 0.00 C ATOM 1244 C SER A 80 10.598 6.728 -4.861 1.00 0.00 C ATOM 1245 O SER A 80 10.748 7.948 -4.902 1.00 0.00 O ATOM 1246 CB SER A 80 12.099 4.781 -4.348 1.00 0.00 C ATOM 1247 OG SER A 80 13.419 4.767 -3.810 1.00 0.00 O ATOM 0 H SER A 80 9.927 4.417 -3.086 1.00 0.00 H new ATOM 0 HA SER A 80 11.904 6.546 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.620 3.821 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.150 4.903 -5.430 1.00 0.00 H new ATOM 0 HG SER A 80 13.930 4.036 -4.216 1.00 0.00 H new ATOM 1253 N ASN A 81 9.890 6.029 -5.736 1.00 0.00 N ATOM 1254 CA ASN A 81 9.216 6.682 -6.846 1.00 0.00 C ATOM 1255 C ASN A 81 7.717 6.761 -6.552 1.00 0.00 C ATOM 1256 O ASN A 81 7.215 6.060 -5.676 1.00 0.00 O ATOM 1257 CB ASN A 81 9.403 5.895 -8.144 1.00 0.00 C ATOM 1258 CG ASN A 81 10.876 5.856 -8.555 1.00 0.00 C ATOM 1259 OD1 ASN A 81 11.447 6.835 -9.008 1.00 0.00 O ATOM 1260 ND2 ASN A 81 11.458 4.674 -8.374 1.00 0.00 N ATOM 0 H ASN A 81 9.768 5.017 -5.699 1.00 0.00 H new ATOM 0 HA ASN A 81 9.646 7.677 -6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.031 4.879 -8.014 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.812 6.351 -8.938 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.440 4.546 -8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.923 3.895 -7.990 1.00 0.00 H new ATOM 1267 N LYS A 82 7.044 7.621 -7.302 1.00 0.00 N ATOM 1268 CA LYS A 82 5.612 7.801 -7.133 1.00 0.00 C ATOM 1269 C LYS A 82 4.941 6.431 -7.013 1.00 0.00 C ATOM 1270 O LYS A 82 4.025 6.253 -6.212 1.00 0.00 O ATOM 1271 CB LYS A 82 5.044 8.666 -8.260 1.00 0.00 C ATOM 1272 CG LYS A 82 5.222 10.154 -7.951 1.00 0.00 C ATOM 1273 CD LYS A 82 4.371 11.014 -8.888 1.00 0.00 C ATOM 1274 CE LYS A 82 4.270 12.451 -8.372 1.00 0.00 C ATOM 1275 NZ LYS A 82 4.907 13.390 -9.323 1.00 0.00 N ATOM 0 H LYS A 82 7.464 8.201 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 82 5.403 8.342 -6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.544 8.423 -9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.986 8.443 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.941 10.350 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.272 10.427 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.808 11.012 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.373 10.584 -8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.223 12.721 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.752 12.528 -7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.829 14.360 -8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.911 13.142 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.429 13.328 -10.245 1.00 0.00 H new ATOM 1289 N LYS A 83 5.425 5.498 -7.819 1.00 0.00 N ATOM 1290 CA LYS A 83 4.883 4.149 -7.813 1.00 0.00 C ATOM 1291 C LYS A 83 5.072 3.536 -6.424 1.00 0.00 C ATOM 1292 O LYS A 83 4.097 3.241 -5.734 1.00 0.00 O ATOM 1293 CB LYS A 83 5.499 3.319 -8.941 1.00 0.00 C ATOM 1294 CG LYS A 83 4.660 2.072 -9.225 1.00 0.00 C ATOM 1295 CD LYS A 83 5.309 0.825 -8.620 1.00 0.00 C ATOM 1296 CE LYS A 83 5.546 -0.243 -9.689 1.00 0.00 C ATOM 1297 NZ LYS A 83 6.911 -0.121 -10.249 1.00 0.00 N ATOM 0 H LYS A 83 6.186 5.649 -8.481 1.00 0.00 H new ATOM 0 HA LYS A 83 3.811 4.167 -8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.574 3.925 -9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.513 3.025 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.659 2.201 -8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.548 1.942 -10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.257 1.094 -8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.670 0.423 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.411 -1.235 -9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.809 -0.139 -10.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.056 -0.853 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.027 0.819 -10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.610 -0.243 -9.489 1.00 0.00 H new ATOM 1311 N LEU A 84 6.332 3.361 -6.055 1.00 0.00 N ATOM 1312 CA LEU A 84 6.661 2.787 -4.761 1.00 0.00 C ATOM 1313 C LEU A 84 5.834 3.481 -3.677 1.00 0.00 C ATOM 1314 O LEU A 84 4.890 2.899 -3.144 1.00 0.00 O ATOM 1315 CB LEU A 84 8.170 2.847 -4.517 1.00 0.00 C ATOM 1316 CG LEU A 84 9.015 1.831 -5.288 1.00 0.00 C ATOM 1317 CD1 LEU A 84 8.585 0.400 -4.962 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.974 2.114 -6.792 1.00 0.00 C ATOM 0 H LEU A 84 7.138 3.607 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 84 6.399 1.729 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.520 3.848 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.352 2.707 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 84 10.052 1.936 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.202 -0.302 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.708 0.218 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.539 0.263 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.582 1.378 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.945 2.053 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.366 3.113 -6.985 1.00 0.00 H new ATOM 1330 N ALA A 85 6.218 4.714 -3.382 1.00 0.00 N ATOM 1331 CA ALA A 85 5.524 5.492 -2.370 1.00 0.00 C ATOM 1332 C ALA A 85 4.032 5.158 -2.410 1.00 0.00 C ATOM 1333 O ALA A 85 3.448 4.786 -1.394 1.00 0.00 O ATOM 1334 CB ALA A 85 5.795 6.981 -2.597 1.00 0.00 C ATOM 0 H ALA A 85 7.001 5.194 -3.826 1.00 0.00 H new ATOM 0 HA ALA A 85 5.891 5.242 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.275 7.565 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.866 7.170 -2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.437 7.269 -3.585 1.00 0.00 H new ATOM 1340 N ALA A 86 3.458 5.303 -3.596 1.00 0.00 N ATOM 1341 CA ALA A 86 2.044 5.021 -3.782 1.00 0.00 C ATOM 1342 C ALA A 86 1.728 3.633 -3.223 1.00 0.00 C ATOM 1343 O ALA A 86 0.940 3.501 -2.287 1.00 0.00 O ATOM 1344 CB ALA A 86 1.689 5.148 -5.264 1.00 0.00 C ATOM 0 H ALA A 86 3.946 5.612 -4.437 1.00 0.00 H new ATOM 0 HA ALA A 86 1.434 5.742 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.629 4.937 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.905 6.161 -5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.280 4.437 -5.842 1.00 0.00 H new ATOM 1350 N GLN A 87 2.358 2.632 -3.819 1.00 0.00 N ATOM 1351 CA GLN A 87 2.153 1.258 -3.393 1.00 0.00 C ATOM 1352 C GLN A 87 2.071 1.183 -1.867 1.00 0.00 C ATOM 1353 O GLN A 87 1.027 0.840 -1.314 1.00 0.00 O ATOM 1354 CB GLN A 87 3.260 0.347 -3.928 1.00 0.00 C ATOM 1355 CG GLN A 87 2.713 -0.620 -4.980 1.00 0.00 C ATOM 1356 CD GLN A 87 3.712 -1.743 -5.265 1.00 0.00 C ATOM 1357 OE1 GLN A 87 3.417 -2.920 -5.134 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.908 -1.316 -5.660 1.00 0.00 N ATOM 0 H GLN A 87 3.011 2.745 -4.594 1.00 0.00 H new ATOM 0 HA GLN A 87 1.208 0.907 -3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.055 0.952 -4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.702 -0.216 -3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.771 -1.046 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.498 -0.078 -5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.089 -0.316 -5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.645 -1.988 -5.874 1.00 0.00 H new ATOM 1367 N SER A 88 3.186 1.508 -1.230 1.00 0.00 N ATOM 1368 CA SER A 88 3.254 1.482 0.222 1.00 0.00 C ATOM 1369 C SER A 88 2.011 2.147 0.816 1.00 0.00 C ATOM 1370 O SER A 88 1.357 1.580 1.690 1.00 0.00 O ATOM 1371 CB SER A 88 4.520 2.177 0.727 1.00 0.00 C ATOM 1372 OG SER A 88 5.679 1.366 0.554 1.00 0.00 O ATOM 0 H SER A 88 4.050 1.791 -1.692 1.00 0.00 H new ATOM 0 HA SER A 88 3.291 0.441 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.654 3.119 0.195 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.403 2.422 1.783 1.00 0.00 H new ATOM 0 HG SER A 88 6.466 1.845 0.887 1.00 0.00 H new ATOM 1378 N CYS A 89 1.721 3.340 0.317 1.00 0.00 N ATOM 1379 CA CYS A 89 0.568 4.088 0.787 1.00 0.00 C ATOM 1380 C CYS A 89 -0.659 3.176 0.713 1.00 0.00 C ATOM 1381 O CYS A 89 -1.310 2.923 1.725 1.00 0.00 O ATOM 1382 CB CYS A 89 0.368 5.379 -0.009 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.411 6.652 1.050 1.00 0.00 S ATOM 0 H CYS A 89 2.265 3.807 -0.408 1.00 0.00 H new ATOM 0 HA CYS A 89 0.728 4.397 1.820 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.327 5.740 -0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.258 5.186 -0.880 1.00 0.00 H new ATOM 0 HG CYS A 89 0.354 6.893 2.073 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.936 2.707 -0.495 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.073 1.829 -0.714 1.00 0.00 C ATOM 1391 C ALA A 90 -2.068 0.722 0.342 1.00 0.00 C ATOM 1392 O ALA A 90 -2.925 0.696 1.224 1.00 0.00 O ATOM 1393 CB ALA A 90 -2.024 1.276 -2.139 1.00 0.00 C ATOM 0 H ALA A 90 -0.393 2.918 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.008 2.379 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.877 0.617 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.060 2.101 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.100 0.715 -2.280 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.092 -0.166 0.218 1.00 0.00 N ATOM 1400 CA LEU A 91 -0.964 -1.272 1.150 1.00 0.00 C ATOM 1401 C LEU A 91 -1.261 -0.777 2.567 1.00 0.00 C ATOM 1402 O LEU A 91 -1.811 -1.515 3.383 1.00 0.00 O ATOM 1403 CB LEU A 91 0.407 -1.938 1.007 1.00 0.00 C ATOM 1404 CG LEU A 91 0.699 -3.086 1.975 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.135 -4.321 1.629 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.196 -3.399 2.017 1.00 0.00 C ATOM 0 H LEU A 91 -0.383 -0.141 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.695 -2.047 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.501 -2.315 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.175 -1.175 1.137 1.00 0.00 H new ATOM 0 HG LEU A 91 0.407 -2.771 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.092 -5.122 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.195 -4.073 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.103 -4.649 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.377 -4.219 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.536 -3.686 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.743 -2.516 2.347 1.00 0.00 H new ATOM 1418 N SER A 92 -0.886 0.469 2.815 1.00 0.00 N ATOM 1419 CA SER A 92 -1.106 1.071 4.119 1.00 0.00 C ATOM 1420 C SER A 92 -2.601 1.090 4.441 1.00 0.00 C ATOM 1421 O SER A 92 -3.019 0.607 5.492 1.00 0.00 O ATOM 1422 CB SER A 92 -0.533 2.489 4.174 1.00 0.00 C ATOM 1423 OG SER A 92 -0.022 2.808 5.466 1.00 0.00 O ATOM 0 H SER A 92 -0.431 1.078 2.135 1.00 0.00 H new ATOM 0 HA SER A 92 -0.588 0.469 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.262 2.588 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.310 3.205 3.904 1.00 0.00 H new ATOM 0 HG SER A 92 0.336 3.720 5.460 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.366 1.653 3.517 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.806 1.741 3.690 1.00 0.00 C ATOM 1431 C LEU A 93 -5.408 0.335 3.644 1.00 0.00 C ATOM 1432 O LEU A 93 -6.326 0.024 4.402 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.411 2.702 2.664 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.916 4.149 2.727 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.956 4.680 4.162 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.523 4.279 2.107 1.00 0.00 C ATOM 0 H LEU A 93 -3.016 2.053 2.646 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.047 2.160 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.208 2.312 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.494 2.703 2.791 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.591 4.767 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.599 5.710 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.980 4.644 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.318 4.064 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.195 5.317 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.822 3.646 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.559 3.967 1.063 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.866 -0.477 2.748 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.338 -1.843 2.594 1.00 0.00 C ATOM 1450 C VAL A 94 -5.242 -2.566 3.939 1.00 0.00 C ATOM 1451 O VAL A 94 -6.249 -3.025 4.474 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.557 -2.544 1.480 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.081 -3.963 1.253 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.599 -1.730 0.186 1.00 0.00 C ATOM 0 H VAL A 94 -4.105 -0.215 2.121 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.386 -1.854 2.294 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.516 -2.618 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.509 -4.439 0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.975 -4.541 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.133 -3.921 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.037 -2.250 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.634 -1.610 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.157 -0.749 0.359 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.020 -2.645 4.445 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.778 -3.305 5.717 1.00 0.00 C ATOM 1466 C ARG A 95 -4.799 -2.840 6.758 1.00 0.00 C ATOM 1467 O ARG A 95 -5.387 -3.658 7.464 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.367 -3.012 6.231 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.445 -4.214 6.016 1.00 0.00 C ATOM 1470 CD ARG A 95 0.013 -3.770 5.881 1.00 0.00 C ATOM 1471 NE ARG A 95 0.893 -4.953 5.757 1.00 0.00 N ATOM 1472 CZ ARG A 95 2.215 -4.887 5.549 1.00 0.00 C ATOM 1473 NH1 ARG A 95 2.818 -3.695 5.440 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.935 -6.013 5.449 1.00 0.00 N ATOM 0 H ARG A 95 -3.187 -2.263 3.997 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.878 -4.379 5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.962 -2.141 5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.407 -2.764 7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.542 -4.906 6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.749 -4.754 5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.127 -3.129 5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.304 -3.180 6.750 1.00 0.00 H new ATOM 0 HE ARG A 95 0.467 -5.876 5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.270 -2.838 5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.824 -3.645 5.282 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.477 -6.920 5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.941 -5.962 5.291 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.978 -1.529 6.821 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.917 -0.946 7.763 1.00 0.00 C ATOM 1490 C GLN A 96 -7.335 -1.445 7.477 1.00 0.00 C ATOM 1491 O GLN A 96 -8.027 -1.912 8.380 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.855 0.582 7.725 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.979 1.124 8.856 1.00 0.00 C ATOM 1494 CD GLN A 96 -4.783 2.635 8.722 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -4.326 3.018 7.533 1.00 0.00 O flip ATOM 1496 NE2 GLN A 96 -5.030 3.403 9.638 1.00 0.00 N flip ATOM 0 H GLN A 96 -4.488 -0.854 6.234 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.637 -1.263 8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.458 0.910 6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.861 0.992 7.811 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.439 0.897 9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.010 0.625 8.841 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.379 3.042 10.526 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.888 4.406 9.515 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.726 -1.328 6.216 1.00 0.00 N ATOM 1506 CA LEU A 97 -9.049 -1.761 5.800 1.00 0.00 C ATOM 1507 C LEU A 97 -9.302 -3.180 6.313 1.00 0.00 C ATOM 1508 O LEU A 97 -10.316 -3.439 6.958 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.207 -1.618 4.285 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.247 -0.186 3.747 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.889 -0.149 2.260 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.603 0.467 4.026 1.00 0.00 C ATOM 0 H LEU A 97 -7.150 -0.940 5.469 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.815 -1.122 6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.383 -2.143 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.126 -2.123 3.986 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.493 0.398 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.925 0.880 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.885 -0.548 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.602 -0.753 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.605 1.484 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.391 -0.110 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.780 0.493 5.101 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.361 -4.062 6.007 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.470 -5.448 6.429 1.00 0.00 C ATOM 1526 C TYR A 98 -8.507 -5.555 7.955 1.00 0.00 C ATOM 1527 O TYR A 98 -9.057 -6.510 8.501 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.210 -6.146 5.912 1.00 0.00 C ATOM 1529 CG TYR A 98 -6.858 -7.432 6.662 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -6.108 -7.372 7.819 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -7.291 -8.651 6.183 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -5.777 -8.582 8.526 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -6.960 -9.861 6.889 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.219 -9.767 8.026 1.00 0.00 C ATOM 1535 OH TYR A 98 -5.906 -10.910 8.694 1.00 0.00 O ATOM 0 H TYR A 98 -7.520 -3.844 5.472 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.385 -5.896 6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.344 -6.379 4.856 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.370 -5.455 5.982 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.769 -6.418 8.194 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -7.879 -8.698 5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -5.191 -8.549 9.433 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.292 -10.822 6.524 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.288 -11.679 8.223 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.915 -4.561 8.601 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.873 -4.531 10.053 1.00 0.00 C ATOM 1547 C HIS A 99 -9.251 -4.151 10.598 1.00 0.00 C ATOM 1548 O HIS A 99 -9.828 -4.881 11.402 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.763 -3.601 10.546 1.00 0.00 C ATOM 1550 CG HIS A 99 -7.019 -3.009 11.911 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -6.969 -1.717 12.346 1.00 0.00 N flip ATOM 1552 CD2 HIS A 99 -7.372 -3.777 13.007 1.00 0.00 C flip ATOM 1553 CE1 HIS A 99 -7.276 -1.697 13.637 1.00 0.00 C flip ATOM 1554 NE2 HIS A 99 -7.525 -2.973 14.049 1.00 0.00 N flip ATOM 0 H HIS A 99 -7.460 -3.770 8.145 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.631 -5.523 10.434 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.824 -4.154 10.571 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.636 -2.791 9.828 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.501 -4.849 13.012 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.321 -0.815 14.259 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.784 -3.258 14.994 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.739 -3.008 10.137 1.00 0.00 N ATOM 1563 CA LEU A 100 -11.039 -2.522 10.569 1.00 0.00 C ATOM 1564 C LEU A 100 -12.105 -3.568 10.239 1.00 0.00 C ATOM 1565 O LEU A 100 -12.942 -3.892 11.080 1.00 0.00 O ATOM 1566 CB LEU A 100 -11.322 -1.144 9.966 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.574 0.031 10.598 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -11.303 0.541 11.842 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -9.120 -0.341 10.898 1.00 0.00 C ATOM 0 H LEU A 100 -9.258 -2.405 9.469 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.054 -2.381 11.650 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.077 -1.177 8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.392 -0.950 10.040 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.555 0.849 9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.750 1.376 12.271 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.304 0.872 11.567 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.375 -0.262 12.576 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.611 0.512 11.347 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.095 -1.183 11.590 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.617 -0.617 9.972 1.00 0.00 H new ATOM 1581 N GLY A 101 -12.040 -4.067 9.014 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.990 -5.070 8.563 1.00 0.00 C ATOM 1583 C GLY A 101 -13.768 -4.578 7.341 1.00 0.00 C ATOM 1584 O GLY A 101 -14.997 -4.519 7.365 1.00 0.00 O ATOM 0 H GLY A 101 -11.344 -3.796 8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.462 -5.991 8.316 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.684 -5.307 9.369 1.00 0.00 H new ATOM 1588 N VAL A 102 -13.021 -4.238 6.301 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.626 -3.753 5.072 1.00 0.00 C ATOM 1590 C VAL A 102 -13.308 -4.725 3.934 1.00 0.00 C ATOM 1591 O VAL A 102 -14.209 -5.175 3.228 1.00 0.00 O ATOM 1592 CB VAL A 102 -13.157 -2.325 4.786 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.701 -1.827 3.445 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.553 -1.380 5.923 1.00 0.00 C ATOM 0 H VAL A 102 -12.002 -4.289 6.284 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.711 -3.711 5.171 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.069 -2.336 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.353 -0.810 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.348 -2.477 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.791 -1.839 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.208 -0.372 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.638 -1.376 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.096 -1.718 6.853 1.00 0.00 H new ATOM 1604 N ILE A 103 -12.024 -5.021 3.792 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.577 -5.932 2.753 1.00 0.00 C ATOM 1606 C ILE A 103 -11.456 -7.342 3.333 1.00 0.00 C ATOM 1607 O ILE A 103 -11.780 -7.567 4.498 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.286 -5.419 2.110 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.284 -4.969 3.176 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.581 -4.311 1.097 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.882 -4.819 2.582 1.00 0.00 C ATOM 0 H ILE A 103 -11.279 -4.646 4.380 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.310 -5.980 1.948 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.826 -6.242 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.605 -4.019 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.263 -5.694 3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.647 -3.964 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.232 -4.699 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.075 -3.480 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.189 -4.498 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.554 -5.776 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.902 -4.075 1.785 1.00 0.00 H new ATOM 1623 N GLU A 104 -10.988 -8.255 2.495 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.820 -9.637 2.910 1.00 0.00 C ATOM 1625 C GLU A 104 -9.559 -10.231 2.280 1.00 0.00 C ATOM 1626 O GLU A 104 -9.184 -9.864 1.168 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.054 -10.469 2.556 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.318 -10.446 1.049 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.612 -11.188 0.707 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.638 -10.859 1.340 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -13.545 -12.066 -0.179 1.00 0.00 O ATOM 0 H GLU A 104 -10.720 -8.064 1.530 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.706 -9.659 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.911 -11.497 2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.923 -10.081 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.384 -9.414 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.481 -10.905 0.523 1.00 0.00 H new ATOM 1638 N ALA A 105 -8.939 -11.140 3.019 1.00 0.00 N ATOM 1639 CA ALA A 105 -7.728 -11.789 2.546 1.00 0.00 C ATOM 1640 C ALA A 105 -7.861 -12.082 1.050 1.00 0.00 C ATOM 1641 O ALA A 105 -8.961 -12.331 0.559 1.00 0.00 O ATOM 1642 CB ALA A 105 -7.472 -13.054 3.368 1.00 0.00 C ATOM 0 H ALA A 105 -9.253 -11.442 3.941 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.866 -11.135 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.564 -13.541 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.354 -12.788 4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.315 -13.736 3.259 1.00 0.00 H new ATOM 1648 N TYR A 106 -6.726 -12.042 0.368 1.00 0.00 N ATOM 1649 CA TYR A 106 -6.703 -12.300 -1.061 1.00 0.00 C ATOM 1650 C TYR A 106 -6.513 -13.791 -1.346 1.00 0.00 C ATOM 1651 O TYR A 106 -6.087 -14.544 -0.472 1.00 0.00 O ATOM 1652 CB TYR A 106 -5.498 -11.531 -1.609 1.00 0.00 C ATOM 1653 CG TYR A 106 -5.511 -11.355 -3.129 1.00 0.00 C ATOM 1654 CD1 TYR A 106 -6.706 -11.394 -3.818 1.00 0.00 C ATOM 1655 CD2 TYR A 106 -4.327 -11.158 -3.810 1.00 0.00 C ATOM 1656 CE1 TYR A 106 -6.718 -11.229 -5.248 1.00 0.00 C ATOM 1657 CE2 TYR A 106 -4.339 -10.993 -5.241 1.00 0.00 C ATOM 1658 CZ TYR A 106 -5.534 -11.036 -5.889 1.00 0.00 C ATOM 1659 OH TYR A 106 -5.545 -10.880 -7.240 1.00 0.00 O ATOM 0 H TYR A 106 -5.816 -11.835 0.779 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.641 -11.991 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.464 -10.548 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.585 -12.053 -1.322 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.632 -11.548 -3.284 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.392 -11.128 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.646 -11.258 -5.799 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.420 -10.839 -5.787 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.629 -10.750 -7.562 1.00 0.00 H new ATOM 1669 N SER A 107 -6.839 -14.172 -2.572 1.00 0.00 N ATOM 1670 CA SER A 107 -6.711 -15.560 -2.983 1.00 0.00 C ATOM 1671 C SER A 107 -5.789 -15.662 -4.201 1.00 0.00 C ATOM 1672 O SER A 107 -5.978 -16.526 -5.056 1.00 0.00 O ATOM 1673 CB SER A 107 -8.078 -16.170 -3.300 1.00 0.00 C ATOM 1674 OG SER A 107 -8.324 -17.351 -2.542 1.00 0.00 O ATOM 0 H SER A 107 -7.192 -13.544 -3.294 1.00 0.00 H new ATOM 0 HA SER A 107 -6.276 -16.122 -2.157 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.858 -15.438 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.133 -16.404 -4.363 1.00 0.00 H new ATOM 0 HG SER A 107 -9.207 -17.709 -2.772 1.00 0.00 H new ATOM 1680 N SER A 108 -4.812 -14.768 -4.240 1.00 0.00 N ATOM 1681 CA SER A 108 -3.861 -14.746 -5.338 1.00 0.00 C ATOM 1682 C SER A 108 -3.404 -16.170 -5.663 1.00 0.00 C ATOM 1683 O SER A 108 -2.485 -16.690 -5.032 1.00 0.00 O ATOM 1684 CB SER A 108 -2.655 -13.865 -5.005 1.00 0.00 C ATOM 1685 OG SER A 108 -1.858 -13.595 -6.155 1.00 0.00 O ATOM 0 H SER A 108 -4.659 -14.053 -3.529 1.00 0.00 H new ATOM 0 HA SER A 108 -4.357 -14.322 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.000 -12.925 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.044 -14.357 -4.248 1.00 0.00 H new ATOM 0 HG SER A 108 -1.099 -13.029 -5.902 1.00 0.00 H new ATOM 1691 N GLY A 109 -4.068 -16.761 -6.646 1.00 0.00 N ATOM 1692 CA GLY A 109 -3.742 -18.114 -7.062 1.00 0.00 C ATOM 1693 C GLY A 109 -4.445 -19.144 -6.176 1.00 0.00 C ATOM 1694 O GLY A 109 -5.017 -18.795 -5.145 1.00 0.00 O ATOM 0 H GLY A 109 -4.830 -16.327 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.038 -18.260 -8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.663 -18.263 -7.014 1.00 0.00 H new ATOM 1698 N PRO A 110 -4.379 -20.427 -6.623 1.00 0.00 N ATOM 1699 CA PRO A 110 -5.003 -21.511 -5.882 1.00 0.00 C ATOM 1700 C PRO A 110 -4.187 -21.865 -4.638 1.00 0.00 C ATOM 1701 O PRO A 110 -3.656 -22.970 -4.533 1.00 0.00 O ATOM 1702 CB PRO A 110 -5.102 -22.658 -6.874 1.00 0.00 C ATOM 1703 CG PRO A 110 -4.116 -22.336 -7.985 1.00 0.00 C ATOM 1704 CD PRO A 110 -3.711 -20.878 -7.840 1.00 0.00 C ATOM 0 HA PRO A 110 -5.989 -21.247 -5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.857 -23.608 -6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.115 -22.749 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.242 -22.984 -7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.569 -22.511 -8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.629 -20.774 -7.760 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.024 -20.292 -8.704 1.00 0.00 H new ATOM 1712 N SER A 111 -4.111 -20.907 -3.726 1.00 0.00 N ATOM 1713 CA SER A 111 -3.369 -21.104 -2.492 1.00 0.00 C ATOM 1714 C SER A 111 -1.910 -21.441 -2.808 1.00 0.00 C ATOM 1715 O SER A 111 -1.559 -21.674 -3.963 1.00 0.00 O ATOM 1716 CB SER A 111 -3.997 -22.211 -1.642 1.00 0.00 C ATOM 1717 OG SER A 111 -5.154 -21.757 -0.946 1.00 0.00 O ATOM 0 H SER A 111 -4.551 -19.991 -3.817 1.00 0.00 H new ATOM 0 HA SER A 111 -3.406 -20.178 -1.919 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.265 -23.052 -2.282 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.263 -22.578 -0.925 1.00 0.00 H new ATOM 0 HG SER A 111 -5.527 -22.492 -0.416 1.00 0.00 H new ATOM 1723 N SER A 112 -1.099 -21.454 -1.760 1.00 0.00 N ATOM 1724 CA SER A 112 0.313 -21.758 -1.911 1.00 0.00 C ATOM 1725 C SER A 112 0.743 -22.786 -0.862 1.00 0.00 C ATOM 1726 O SER A 112 1.076 -22.424 0.266 1.00 0.00 O ATOM 1727 CB SER A 112 1.165 -20.492 -1.793 1.00 0.00 C ATOM 1728 OG SER A 112 2.382 -20.597 -2.527 1.00 0.00 O ATOM 0 H SER A 112 -1.393 -21.259 -0.803 1.00 0.00 H new ATOM 0 HA SER A 112 0.468 -22.177 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.595 -19.637 -2.156 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.390 -20.303 -0.743 1.00 0.00 H new ATOM 0 HG SER A 112 2.896 -19.769 -2.428 1.00 0.00 H new ATOM 1734 N GLY A 113 0.721 -24.046 -1.270 1.00 0.00 N ATOM 1735 CA GLY A 113 1.104 -25.128 -0.379 1.00 0.00 C ATOM 1736 C GLY A 113 0.720 -26.486 -0.970 1.00 0.00 C ATOM 1737 O GLY A 113 -0.212 -27.133 -0.495 1.00 0.00 O ATOM 0 H GLY A 113 0.444 -24.342 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.179 -25.095 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.618 -24.997 0.588 1.00 0.00 H new TER 1741 GLY A 113